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 2nvz_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSX XISTLQVKLY 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 KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA 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 LEPAEXXXXX DATA SEQUENCE XXDVDPAKRI RVSXXATTFT 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 XXXXXRDAST 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 RSRD 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 0.000 176.283 176.300 -0.028 0.000 2.045 20 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 20 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 21 E N -0.102 120.072 120.200 -0.043 0.000 2.016 21 E HA -0.015 4.339 4.350 0.006 0.000 0.190 21 E C 0.567 177.127 176.600 -0.067 0.000 0.985 21 E CA 0.163 56.520 56.400 -0.071 0.000 0.802 21 E CB -0.127 29.514 29.700 -0.098 0.000 0.762 21 E HN 0.107 nan 8.360 nan 0.000 0.448 22 S N 0.772 116.442 115.700 -0.050 0.000 2.503 22 S HA 0.434 4.908 4.470 0.006 0.000 0.317 22 S C -0.624 173.969 174.600 -0.013 0.000 1.162 22 S CA -0.089 58.093 58.200 -0.030 0.000 1.124 22 S CB -0.347 62.840 63.200 -0.021 0.000 1.207 22 S HN 0.463 nan 8.310 nan 0.000 0.538 23 A N 6.225 129.042 122.820 -0.006 0.000 2.574 23 A HA 0.796 5.120 4.320 0.006 0.000 0.297 23 A C -3.041 174.545 177.584 0.005 0.000 1.062 23 A CA -1.559 50.479 52.037 0.002 0.000 0.686 23 A CB 1.378 20.379 19.000 0.002 0.000 1.285 23 A HN 0.569 nan 8.150 nan 0.000 0.403 24 P HA 0.400 nan 4.420 nan 0.000 0.275 24 P C -0.218 177.075 177.300 -0.012 0.000 1.228 24 P CA 0.053 63.146 63.100 -0.012 0.000 0.786 24 P CB 0.456 32.152 31.700 -0.007 0.000 0.927 25 I N 1.280 121.827 120.570 -0.040 0.000 3.060 25 I HA 0.138 4.312 4.170 0.006 0.000 0.285 25 I C 1.603 177.706 176.117 -0.024 0.000 1.190 25 I CA 0.199 61.475 61.300 -0.040 0.000 1.363 25 I CB 0.122 38.049 38.000 -0.123 0.000 1.396 25 I HN 0.450 nan 8.210 nan 0.000 0.607 26 T N 0.225 114.784 114.554 0.008 0.000 2.735 26 T HA 0.622 4.975 4.350 0.006 0.000 0.262 26 T C 0.766 175.496 174.700 0.048 0.000 0.955 26 T CA -0.172 61.944 62.100 0.028 0.000 1.022 26 T CB 1.099 69.997 68.868 0.051 0.000 1.455 26 T HN 0.554 nan 8.240 nan 0.000 0.583 27 A N 0.349 123.222 122.820 0.088 0.000 1.825 27 A HA -0.001 4.323 4.320 0.006 0.000 0.214 27 A C 2.239 179.941 177.584 0.198 0.000 1.206 27 A CA 1.366 53.487 52.037 0.141 0.000 0.609 27 A CB -1.352 17.753 19.000 0.175 0.000 0.851 27 A HN 0.896 nan 8.150 nan 0.000 0.445 28 E N 0.280 120.608 120.200 0.213 0.000 2.164 28 E HA -0.264 4.090 4.350 0.006 0.000 0.206 28 E C 1.535 178.297 176.600 0.270 0.000 1.032 28 E CA 1.793 58.349 56.400 0.259 0.000 0.832 28 E CB -0.471 29.337 29.700 0.180 0.000 0.742 28 E HN 0.554 nan 8.360 nan 0.000 0.460 29 D N -0.236 120.281 120.400 0.195 0.000 2.265 29 D HA -0.118 4.525 4.640 0.006 0.000 0.208 29 D C 2.035 178.481 176.300 0.242 0.000 0.977 29 D CA 1.311 55.427 54.000 0.193 0.000 0.871 29 D CB -0.158 40.721 40.800 0.132 0.000 0.925 29 D HN 0.219 nan 8.370 nan 0.000 0.485 30 S N -0.602 115.232 115.700 0.222 0.000 2.402 30 S HA -0.175 4.299 4.470 0.006 0.000 0.229 30 S C 1.932 176.641 174.600 0.180 0.000 1.021 30 S CA 0.340 58.689 58.200 0.248 0.000 0.974 30 S CB -0.909 62.399 63.200 0.180 0.000 0.800 30 S HN 0.372 nan 8.310 nan 0.000 0.484 31 W N 1.971 123.372 121.300 0.170 0.000 2.465 31 W HA 0.203 4.867 4.660 0.006 0.000 0.268 31 W C 2.796 179.436 176.519 0.201 0.000 1.242 31 W CA 0.495 57.920 57.345 0.134 0.000 1.248 31 W CB -0.282 29.232 29.460 0.090 0.000 1.118 31 W HN 0.454 nan 8.180 nan 0.000 0.587 32 A N -0.381 122.689 122.820 0.415 0.000 1.930 32 A HA -0.151 4.173 4.320 0.006 0.000 0.217 32 A C 1.930 179.726 177.584 0.353 0.000 1.175 32 A CA 1.904 54.156 52.037 0.358 0.000 0.627 32 A CB -0.932 18.245 19.000 0.295 0.000 0.815 32 A HN 0.094 nan 8.150 nan 0.000 0.443 33 V N 0.703 120.820 119.914 0.338 0.000 2.548 33 V HA -0.194 3.930 4.120 0.006 0.000 0.249 33 V C 2.399 178.650 176.094 0.261 0.000 1.055 33 V CA 1.282 63.781 62.300 0.332 0.000 1.065 33 V CB -0.676 31.328 31.823 0.302 0.000 0.681 33 V HN 0.492 nan 8.190 nan 0.000 0.462 34 I N 0.596 121.263 120.570 0.162 0.000 2.091 34 I HA -0.260 3.914 4.170 0.006 0.000 0.239 34 I C 2.624 178.924 176.117 0.305 0.000 1.061 34 I CA 1.961 63.309 61.300 0.080 0.000 1.317 34 I CB -1.390 36.635 38.000 0.040 0.000 1.031 34 I HN 0.313 nan 8.210 nan 0.000 0.401 35 S N 0.998 116.993 115.700 0.491 0.000 2.392 35 S HA -0.237 4.236 4.470 0.006 0.000 0.232 35 S C 2.193 177.069 174.600 0.461 0.000 1.041 35 S CA 1.619 60.196 58.200 0.630 0.000 1.026 35 S CB -0.466 63.017 63.200 0.471 0.000 0.845 35 S HN 0.605 nan 8.310 nan 0.000 0.465 36 A N 0.910 123.955 122.820 0.375 0.000 1.873 36 A HA 0.090 4.414 4.320 0.006 0.000 0.215 36 A C 0.958 178.689 177.584 0.245 0.000 1.186 36 A CA 0.661 52.901 52.037 0.338 0.000 0.616 36 A CB -0.636 18.614 19.000 0.417 0.000 0.823 36 A HN 0.410 nan 8.150 nan 0.000 0.442 37 F N -1.938 117.953 119.950 -0.097 0.000 2.527 37 F HA 0.294 4.824 4.527 0.006 0.000 0.316 37 F C 1.054 176.731 175.800 -0.205 0.000 1.258 37 F CA 1.086 58.712 58.000 -0.622 0.000 1.314 37 F CB 0.074 38.341 39.000 -1.222 0.000 1.200 37 F HN 0.403 nan 8.300 nan 0.000 0.577 38 F N -1.109 118.419 119.950 -0.704 0.000 2.544 38 F HA -0.436 4.095 4.527 0.006 0.000 0.702 38 F C 1.986 177.648 175.800 -0.230 0.000 0.487 38 F CA 1.711 59.520 58.000 -0.318 0.000 0.774 38 F CB -1.242 37.800 39.000 0.069 0.000 1.639 38 F HN 0.428 nan 8.300 nan 0.000 0.268 39 R N 0.270 120.828 120.500 0.097 0.000 2.105 39 R HA -0.200 4.143 4.340 0.006 0.000 0.239 39 R C 1.855 178.147 176.300 -0.014 0.000 1.135 39 R CA 1.966 58.108 56.100 0.070 0.000 0.967 39 R CB -0.396 29.975 30.300 0.119 0.000 0.861 39 R HN 0.629 nan 8.270 nan 0.000 0.442 40 E N 0.420 120.561 120.200 -0.098 0.000 2.102 40 E HA -0.069 4.284 4.350 0.006 0.000 0.190 40 E C 1.561 178.063 176.600 -0.164 0.000 0.971 40 E CA 0.490 56.836 56.400 -0.090 0.000 0.821 40 E CB 0.382 30.068 29.700 -0.023 0.000 0.777 40 E HN 0.105 nan 8.360 nan 0.000 0.460 41 K N -0.089 120.081 120.400 -0.383 0.000 1.997 41 K HA 0.142 4.466 4.320 0.006 0.000 0.212 41 K C 1.136 177.624 176.600 -0.187 0.000 1.033 41 K CA 1.172 57.222 56.287 -0.395 0.000 0.950 41 K CB -0.082 31.873 32.500 -0.909 0.000 0.751 41 K HN 0.276 nan 8.250 nan 0.000 0.444 42 G N -0.388 108.333 108.800 -0.132 0.000 2.306 42 G HA2 -0.130 3.833 3.960 0.006 0.000 0.262 42 G HA3 -0.130 3.833 3.960 0.006 0.000 0.262 42 G C -0.331 174.679 174.900 0.182 0.000 1.263 42 G CA -0.461 44.669 45.100 0.051 0.000 1.088 42 G HN 0.159 nan 8.290 nan 0.000 0.489 43 L N 0.067 121.380 121.223 0.150 0.000 3.086 43 L HA 0.362 4.705 4.340 0.006 0.000 0.274 43 L C 1.102 178.024 176.870 0.086 0.000 1.184 43 L CA 0.560 55.505 54.840 0.174 0.000 1.002 43 L CB 1.410 43.553 42.059 0.140 0.000 1.383 43 L HN 0.859 nan 8.230 nan 0.000 0.582 44 V N -4.299 115.645 119.914 0.050 0.000 2.925 44 V HA 0.200 4.324 4.120 0.006 0.000 0.361 44 V C 1.323 177.425 176.094 0.014 0.000 1.361 44 V CA 0.293 62.606 62.300 0.022 0.000 1.184 44 V CB 0.127 31.949 31.823 -0.002 0.000 1.245 44 V HN 0.247 nan 8.190 nan 0.000 0.575 45 S N 0.759 116.465 115.700 0.011 0.000 2.607 45 S HA -0.076 4.398 4.470 0.006 0.000 0.224 45 S C 1.461 176.069 174.600 0.014 0.000 0.969 45 S CA 1.088 59.284 58.200 -0.006 0.000 0.927 45 S CB 0.056 63.218 63.200 -0.063 0.000 0.772 45 S HN 0.779 nan 8.310 nan 0.000 0.533 46 Q N -0.232 119.579 119.800 0.017 0.000 2.477 46 Q HA 0.344 4.688 4.340 0.006 0.000 0.252 46 Q C 1.939 177.972 176.000 0.055 0.000 0.869 46 Q CA 0.150 55.970 55.803 0.028 0.000 0.969 46 Q CB -0.651 28.083 28.738 -0.006 0.000 1.144 46 Q HN 0.276 nan 8.270 nan 0.000 0.577 47 Q N 0.703 120.531 119.800 0.046 0.000 2.079 47 Q HA 0.046 4.390 4.340 0.006 0.000 0.200 47 Q C 2.118 178.166 176.000 0.080 0.000 0.974 47 Q CA 1.044 56.882 55.803 0.059 0.000 0.840 47 Q CB -0.085 28.665 28.738 0.020 0.000 0.898 47 Q HN 0.401 nan 8.270 nan 0.000 0.430 48 L N 0.708 121.964 121.223 0.054 0.000 1.948 48 L HA -0.245 4.098 4.340 0.006 0.000 0.212 48 L C 1.865 178.830 176.870 0.158 0.000 1.074 48 L CA 1.701 56.590 54.840 0.082 0.000 0.753 48 L CB -0.519 41.566 42.059 0.042 0.000 0.888 48 L HN 0.159 nan 8.230 nan 0.000 0.432 49 D N -1.117 119.354 120.400 0.117 0.000 2.218 49 D HA -0.181 4.462 4.640 0.006 0.000 0.204 49 D C 2.244 178.626 176.300 0.138 0.000 0.976 49 D CA 1.198 55.267 54.000 0.115 0.000 0.853 49 D CB -0.093 40.760 40.800 0.089 0.000 0.939 49 D HN 0.116 nan 8.370 nan 0.000 0.481 50 S N -1.103 114.694 115.700 0.160 0.000 2.428 50 S HA -0.110 4.364 4.470 0.006 0.000 0.230 50 S C 1.563 176.327 174.600 0.273 0.000 1.014 50 S CA 0.348 58.656 58.200 0.179 0.000 0.957 50 S CB -0.274 63.020 63.200 0.157 0.000 0.784 50 S HN 0.270 nan 8.310 nan 0.000 0.499 51 F N 2.545 122.598 119.950 0.171 0.000 2.270 51 F HA 0.169 4.700 4.527 0.006 0.000 0.295 51 F C 1.856 177.807 175.800 0.251 0.000 1.087 51 F CA 1.055 59.209 58.000 0.257 0.000 1.365 51 F CB -0.422 38.712 39.000 0.224 0.000 1.056 51 F HN 0.195 nan 8.300 nan 0.000 0.506 52 N N 0.435 119.262 118.700 0.211 0.000 2.120 52 N HA -0.208 4.536 4.740 0.006 0.000 0.188 52 N C 1.714 177.253 175.510 0.048 0.000 1.024 52 N CA 1.356 54.463 53.050 0.094 0.000 0.852 52 N CB -0.714 37.849 38.487 0.126 0.000 1.003 52 N HN 0.344 nan 8.380 nan 0.000 0.424 53 Q N -0.427 119.416 119.800 0.073 0.000 2.436 53 Q HA 0.040 4.383 4.340 0.006 0.000 0.209 53 Q C 1.422 177.477 176.000 0.091 0.000 0.965 53 Q CA 0.593 56.420 55.803 0.040 0.000 0.910 53 Q CB -0.256 28.479 28.738 -0.006 0.000 0.980 53 Q HN 0.351 nan 8.270 nan 0.000 0.491 54 F N -1.280 118.618 119.950 -0.087 0.000 2.179 54 F HA -0.002 4.529 4.527 0.006 0.000 0.292 54 F C 1.566 177.241 175.800 -0.207 0.000 1.089 54 F CA 0.954 58.871 58.000 -0.138 0.000 1.295 54 F CB -0.405 38.504 39.000 -0.151 0.000 1.041 54 F HN -0.048 nan 8.300 nan 0.000 0.487 55 V N 0.882 120.524 119.914 -0.453 0.000 2.237 55 V HA -0.313 3.810 4.120 0.006 0.000 0.245 55 V C 1.931 177.824 176.094 -0.336 0.000 1.046 55 V CA 2.494 64.490 62.300 -0.508 0.000 1.007 55 V CB -0.923 30.683 31.823 -0.361 0.000 0.638 55 V HN 0.227 nan 8.190 nan 0.000 0.445 56 D N -1.665 118.658 120.400 -0.129 0.000 2.144 56 D HA -0.133 4.511 4.640 0.006 0.000 0.199 56 D C 1.778 178.008 176.300 -0.116 0.000 0.984 56 D CA 1.596 55.569 54.000 -0.045 0.000 0.834 56 D CB -0.066 40.837 40.800 0.172 0.000 0.955 56 D HN 0.580 nan 8.370 nan 0.000 0.465 57 Y N -0.889 119.296 120.300 -0.191 0.000 2.817 57 Y HA 0.134 4.687 4.550 0.006 0.000 0.257 57 Y C 2.494 178.270 175.900 -0.207 0.000 1.055 57 Y CA 0.490 58.495 58.100 -0.158 0.000 1.319 57 Y CB -0.620 37.786 38.460 -0.090 0.000 1.481 57 Y HN -0.178 nan 8.280 nan 0.000 0.471 58 T N 1.504 116.036 114.554 -0.036 0.000 2.665 58 T HA -0.215 4.138 4.350 0.006 0.000 0.268 58 T C 1.888 176.390 174.700 -0.331 0.000 1.035 58 T CA 1.740 63.770 62.100 -0.117 0.000 1.151 58 T CB -0.678 68.201 68.868 0.017 0.000 0.862 58 T HN 0.050 nan 8.240 nan 0.000 0.438 59 L N 1.099 121.943 121.223 -0.631 0.000 2.131 59 L HA -0.023 4.321 4.340 0.006 0.000 0.210 59 L C 2.600 179.142 176.870 -0.546 0.000 1.092 59 L CA 1.600 55.962 54.840 -0.797 0.000 0.759 59 L CB -0.907 40.553 42.059 -0.998 0.000 0.903 59 L HN 0.195 nan 8.230 nan 0.000 0.435 60 Q N -0.551 119.014 119.800 -0.393 0.000 2.135 60 Q HA -0.224 4.120 4.340 0.006 0.000 0.204 60 Q C 1.469 177.326 176.000 -0.238 0.000 0.981 60 Q CA 2.199 57.824 55.803 -0.297 0.000 0.856 60 Q CB -0.024 28.565 28.738 -0.248 0.000 0.902 60 Q HN 0.525 nan 8.270 nan 0.000 0.425 61 D N -1.006 119.271 120.400 -0.205 0.000 2.301 61 D HA 0.050 4.693 4.640 0.006 0.000 0.206 61 D C 1.340 177.568 176.300 -0.119 0.000 0.979 61 D CA 0.571 54.498 54.000 -0.121 0.000 0.874 61 D CB 0.096 40.859 40.800 -0.063 0.000 0.968 61 D HN 0.365 nan 8.370 nan 0.000 0.510 62 I N -0.023 120.424 120.570 -0.205 0.000 2.830 62 I HA -0.106 4.068 4.170 0.006 0.000 0.263 62 I C 1.425 177.346 176.117 -0.327 0.000 1.230 62 I CA 0.486 61.681 61.300 -0.175 0.000 1.480 62 I CB 0.094 37.971 38.000 -0.206 0.000 1.095 62 I HN -0.074 nan 8.210 nan 0.000 0.455 63 I N -0.587 119.707 120.570 -0.460 0.000 2.927 63 I HA -0.090 4.083 4.170 0.006 0.000 0.268 63 I C 2.366 178.463 176.117 -0.034 0.000 1.153 63 I CA 0.873 61.866 61.300 -0.512 0.000 1.459 63 I CB -0.266 37.386 38.000 -0.580 0.000 1.149 63 I HN 0.246 nan 8.210 nan 0.000 0.443 64 C N 0.335 119.608 119.300 -0.045 0.000 2.659 64 C HA -0.142 4.321 4.460 0.006 0.000 0.289 64 C C 1.420 176.468 174.990 0.096 0.000 1.227 64 C CA 0.583 59.621 59.018 0.032 0.000 1.770 64 C CB -0.808 26.923 27.740 -0.015 0.000 2.066 64 C HN 0.348 nan 8.230 nan 0.000 0.447 65 E N 1.090 121.334 120.200 0.074 0.000 2.166 65 E HA 0.214 4.567 4.350 0.006 0.000 0.279 65 E C 0.445 177.124 176.600 0.130 0.000 1.095 65 E CA 0.596 57.049 56.400 0.089 0.000 0.888 65 E CB -0.001 29.734 29.700 0.058 0.000 1.041 65 E HN 0.649 nan 8.360 nan 0.000 0.414 66 D N 1.675 122.161 120.400 0.145 0.000 3.683 66 D HA -0.215 4.428 4.640 0.006 0.000 0.134 66 D C 0.758 177.185 176.300 0.212 0.000 0.579 66 D CA 0.902 54.989 54.000 0.145 0.000 0.757 66 D CB -1.547 39.335 40.800 0.135 0.000 1.395 66 D HN 0.407 nan 8.370 nan 0.000 0.329 67 S N 0.718 116.604 115.700 0.310 0.000 2.353 67 S HA -0.136 4.338 4.470 0.006 0.000 0.222 67 S C 1.371 176.081 174.600 0.182 0.000 1.035 67 S CA 2.146 60.623 58.200 0.462 0.000 1.025 67 S CB -1.146 62.343 63.200 0.480 0.000 0.902 67 S HN 0.669 nan 8.310 nan 0.000 0.440 68 T N 2.024 116.639 114.554 0.102 0.000 2.777 68 T HA 0.148 4.502 4.350 0.006 0.000 0.273 68 T C -0.046 174.699 174.700 0.076 0.000 1.016 68 T CA 0.570 62.701 62.100 0.052 0.000 1.156 68 T CB -0.608 68.290 68.868 0.049 0.000 1.019 68 T HN 0.407 nan 8.240 nan 0.000 0.503 69 L N 4.108 125.379 121.223 0.079 0.000 3.146 69 L HA 0.625 4.969 4.340 0.006 0.000 0.229 69 L C 0.030 177.000 176.870 0.167 0.000 2.007 69 L CA -1.422 53.534 54.840 0.193 0.000 2.100 69 L CB 0.438 42.658 42.059 0.268 0.000 2.137 69 L HN 0.416 nan 8.230 nan 0.000 0.564 91 S N 4.612 120.066 115.700 -0.410 0.000 2.677 91 S HA 0.758 5.232 4.470 0.006 0.000 0.283 91 S C -1.030 173.369 174.600 -0.335 0.000 1.159 91 S CA -0.622 57.381 58.200 -0.329 0.000 1.001 91 S CB 1.231 64.358 63.200 -0.121 0.000 1.032 91 S HN 0.248 nan 8.310 nan 0.000 0.487 92 F N 2.744 122.730 119.950 0.059 0.000 2.421 92 F HA 0.576 5.107 4.527 0.006 0.000 0.358 92 F C 1.536 177.340 175.800 0.006 0.000 1.115 92 F CA -0.221 57.810 58.000 0.052 0.000 1.160 92 F CB 0.956 40.031 39.000 0.124 0.000 1.123 92 F HN 0.872 nan 8.300 nan 0.000 0.508 93 G N 3.041 111.915 108.800 0.123 0.000 2.632 93 G HA2 0.054 4.018 3.960 0.006 0.000 0.220 93 G HA3 0.054 4.018 3.960 0.006 0.000 0.220 93 G C 0.192 175.075 174.900 -0.030 0.000 1.439 93 G CA 0.114 45.233 45.100 0.031 0.000 0.934 93 G HN 0.368 nan 8.290 nan 0.000 0.536 94 K N -0.450 119.888 120.400 -0.103 0.000 2.306 94 K HA 0.654 4.978 4.320 0.006 0.000 0.236 94 K C -1.721 174.676 176.600 -0.338 0.000 1.013 94 K CA -0.857 55.281 56.287 -0.248 0.000 0.857 94 K CB 2.126 34.426 32.500 -0.333 0.000 1.214 94 K HN 0.224 nan 8.250 nan 0.000 0.449 95 I N 2.430 122.738 120.570 -0.436 0.000 2.529 95 I HA 0.281 4.455 4.170 0.006 0.000 0.284 95 I C -1.583 174.323 176.117 -0.352 0.000 1.088 95 I CA -0.663 60.428 61.300 -0.348 0.000 1.062 95 I CB 0.780 38.627 38.000 -0.255 0.000 1.218 95 I HN 0.516 nan 8.210 nan 0.000 0.442 96 Y N 5.661 125.962 120.300 0.002 0.000 2.320 96 Y HA 0.596 5.150 4.550 0.006 0.000 0.324 96 Y C 0.002 175.879 175.900 -0.039 0.000 1.190 96 Y CA -0.932 57.142 58.100 -0.044 0.000 1.215 96 Y CB 1.504 39.926 38.460 -0.062 0.000 1.221 96 Y HN 0.160 nan 8.280 nan 0.000 0.486 97 V N 2.616 122.571 119.914 0.068 0.000 2.409 97 V HA 0.279 4.403 4.120 0.006 0.000 0.291 97 V C 0.052 176.124 176.094 -0.037 0.000 1.020 97 V CA -0.984 61.330 62.300 0.023 0.000 0.848 97 V CB 1.594 33.413 31.823 -0.008 0.000 0.990 97 V HN 0.969 nan 8.190 nan 0.000 0.430 98 T N 2.600 117.111 114.554 -0.072 0.000 2.788 98 T HA 0.359 4.712 4.350 0.006 0.000 0.287 98 T C 0.035 174.672 174.700 -0.104 0.000 1.007 98 T CA -0.776 61.236 62.100 -0.146 0.000 1.005 98 T CB 0.703 69.452 68.868 -0.197 0.000 1.012 98 T HN 0.387 nan 8.240 nan 0.000 0.530 99 K N 2.012 122.320 120.400 -0.153 0.000 2.298 99 K HA 0.272 4.596 4.320 0.006 0.000 0.280 99 K C -2.395 174.161 176.600 -0.074 0.000 1.032 99 K CA -1.979 54.200 56.287 -0.181 0.000 0.958 99 K CB 0.302 32.567 32.500 -0.391 0.000 0.978 99 K HN 0.481 nan 8.250 nan 0.000 0.472 100 P HA -0.137 nan 4.420 nan 0.000 0.265 100 P C -0.299 176.958 177.300 -0.071 0.000 1.151 100 P CA 1.097 64.123 63.100 -0.124 0.000 0.755 100 P CB 0.367 31.853 31.700 -0.357 0.000 0.756 101 M N 1.427 120.987 119.600 -0.067 0.000 2.755 101 M HA 0.612 5.096 4.480 0.006 0.000 0.298 101 M C -0.801 175.487 176.300 -0.021 0.000 1.251 101 M CA -1.109 54.163 55.300 -0.047 0.000 0.817 101 M CB 2.489 35.077 32.600 -0.021 0.000 1.760 101 M HN -0.077 nan 8.290 nan 0.000 0.473 102 V N 1.461 121.374 119.914 -0.001 0.000 2.817 102 V HA 0.344 4.468 4.120 0.006 0.000 0.303 102 V C -1.430 174.682 176.094 0.030 0.000 1.151 102 V CA -0.774 61.546 62.300 0.033 0.000 0.929 102 V CB 2.337 34.205 31.823 0.074 0.000 1.030 102 V HN 0.819 nan 8.190 nan 0.000 0.427 103 N N 3.695 122.406 118.700 0.018 0.000 2.558 103 N HA 0.301 5.044 4.740 0.006 0.000 0.242 103 N C -0.405 175.111 175.510 0.011 0.000 0.979 103 N CA -0.385 52.669 53.050 0.005 0.000 0.931 103 N CB 0.986 39.463 38.487 -0.018 0.000 1.122 103 N HN 0.572 nan 8.380 nan 0.000 0.508 104 E N 0.801 121.008 120.200 0.012 0.000 2.324 104 E HA 0.033 4.387 4.350 0.006 0.000 0.271 104 E C -0.088 176.515 176.600 0.005 0.000 1.028 104 E CA -0.055 56.348 56.400 0.005 0.000 0.890 104 E CB 0.510 30.208 29.700 -0.003 0.000 1.004 104 E HN 0.576 nan 8.360 nan 0.000 0.431 105 S N 2.693 118.398 115.700 0.008 0.000 2.481 105 S HA 0.013 4.487 4.470 0.006 0.000 0.282 105 S C 0.182 174.787 174.600 0.008 0.000 1.243 105 S CA -0.486 57.720 58.200 0.010 0.000 1.078 105 S CB 0.248 63.457 63.200 0.015 0.000 0.916 105 S HN 0.584 nan 8.310 nan 0.000 0.495 106 D N 1.309 121.713 120.400 0.007 0.000 2.828 106 D HA -0.022 4.622 4.640 0.006 0.000 0.241 106 D C 0.120 176.422 176.300 0.003 0.000 1.142 106 D CA 1.766 55.769 54.000 0.006 0.000 0.755 106 D CB -1.185 39.620 40.800 0.007 0.000 1.014 106 D HN 1.135 nan 8.370 nan 0.000 0.420 107 G N -1.294 107.508 108.800 0.003 0.000 2.576 107 G HA2 0.542 4.506 3.960 0.006 0.000 0.290 107 G HA3 0.542 4.506 3.960 0.006 0.000 0.290 107 G C -0.227 174.677 174.900 0.007 0.000 1.442 107 G CA -0.210 44.891 45.100 0.002 0.000 0.792 107 G HN 0.426 nan 8.290 nan 0.000 0.491 108 V N -0.483 119.440 119.914 0.015 0.000 3.489 108 V HA 0.402 4.526 4.120 0.006 0.000 0.297 108 V C 0.934 177.048 176.094 0.032 0.000 1.071 108 V CA -0.301 62.013 62.300 0.024 0.000 1.074 108 V CB 1.169 33.014 31.823 0.037 0.000 1.188 108 V HN 0.719 nan 8.190 nan 0.000 0.458 109 T N 1.193 115.762 114.554 0.024 0.000 2.863 109 T HA 0.191 4.545 4.350 0.006 0.000 0.299 109 T C -0.288 174.435 174.700 0.039 0.000 0.973 109 T CA 0.207 62.317 62.100 0.017 0.000 0.994 109 T CB -0.858 68.002 68.868 -0.013 0.000 0.961 109 T HN 0.748 nan 8.240 nan 0.000 0.552 110 H N 2.783 121.830 119.070 -0.039 0.000 2.652 110 H HA 0.555 5.115 4.556 0.006 0.000 0.298 110 H C 0.182 175.462 175.328 -0.079 0.000 1.076 110 H CA -0.636 55.381 56.048 -0.051 0.000 1.360 110 H CB 0.366 30.104 29.762 -0.041 0.000 1.421 110 H HN 0.680 nan 8.280 nan 0.000 0.464 111 A N 5.333 127.846 122.820 -0.512 0.000 2.524 111 A HA 0.228 4.552 4.320 0.006 0.000 0.250 111 A C -0.410 176.775 177.584 -0.664 0.000 1.078 111 A CA -0.332 51.434 52.037 -0.452 0.000 0.761 111 A CB -0.387 18.404 19.000 -0.348 0.000 1.012 111 A HN 0.722 nan 8.150 nan 0.000 0.500 112 L N 4.234 125.231 121.223 -0.377 0.000 2.275 112 L HA 0.548 4.892 4.340 0.006 0.000 0.288 112 L C -0.566 176.102 176.870 -0.336 0.000 1.046 112 L CA -0.083 54.610 54.840 -0.245 0.000 0.805 112 L CB 0.290 42.332 42.059 -0.030 0.000 1.193 112 L HN 0.664 nan 8.230 nan 0.000 0.426 113 Y N 5.643 125.864 120.300 -0.132 0.000 2.392 113 Y HA 0.366 4.919 4.550 0.006 0.000 0.323 113 Y C -1.260 174.697 175.900 0.094 0.000 1.291 113 Y CA -1.484 56.532 58.100 -0.140 0.000 1.345 113 Y CB 0.423 38.768 38.460 -0.191 0.000 1.320 113 Y HN 0.554 nan 8.280 nan 0.000 0.518 114 P HA -0.147 nan 4.420 nan 0.000 0.218 114 P C 0.989 178.299 177.300 0.018 0.000 1.152 114 P CA 1.290 64.351 63.100 -0.065 0.000 0.826 114 P CB 0.413 31.964 31.700 -0.249 0.000 0.790 115 Q N 1.059 120.885 119.800 0.043 0.000 1.993 115 Q HA -0.179 4.165 4.340 0.006 0.000 0.202 115 Q C 2.365 178.406 176.000 0.069 0.000 0.984 115 Q CA 1.872 57.698 55.803 0.039 0.000 0.837 115 Q CB -1.135 27.611 28.738 0.013 0.000 0.902 115 Q HN 0.205 nan 8.270 nan 0.000 0.423 116 E N -0.913 119.347 120.200 0.101 0.000 2.164 116 E HA -0.328 4.026 4.350 0.006 0.000 0.206 116 E C 1.660 178.314 176.600 0.090 0.000 1.032 116 E CA 1.453 57.916 56.400 0.104 0.000 0.832 116 E CB -0.286 29.500 29.700 0.142 0.000 0.742 116 E HN 0.449 nan 8.360 nan 0.000 0.460 117 A N 0.718 123.603 122.820 0.109 0.000 1.877 117 A HA -0.188 4.136 4.320 0.006 0.000 0.216 117 A C 2.127 179.756 177.584 0.075 0.000 1.186 117 A CA 1.593 53.692 52.037 0.104 0.000 0.620 117 A CB -0.482 18.618 19.000 0.167 0.000 0.822 117 A HN 0.176 nan 8.150 nan 0.000 0.443 118 R N -0.612 119.932 120.500 0.073 0.000 2.127 118 R HA -0.086 4.257 4.340 0.006 0.000 0.238 118 R C 1.969 178.321 176.300 0.086 0.000 1.134 118 R CA 1.514 57.653 56.100 0.064 0.000 0.975 118 R CB -0.402 29.925 30.300 0.046 0.000 0.865 118 R HN 0.577 nan 8.270 nan 0.000 0.447 119 L N 0.093 121.372 121.223 0.093 0.000 2.102 119 L HA -0.053 4.291 4.340 0.006 0.000 0.202 119 L C 1.881 178.886 176.870 0.224 0.000 1.076 119 L CA 1.035 55.960 54.840 0.141 0.000 0.761 119 L CB -0.274 41.850 42.059 0.109 0.000 0.921 119 L HN 0.197 nan 8.230 nan 0.000 0.444 120 R N -0.082 120.458 120.500 0.068 0.000 2.552 120 R HA 0.192 4.536 4.340 0.006 0.000 0.314 120 R C -0.258 175.745 176.300 -0.495 0.000 1.041 120 R CA -0.201 55.784 56.100 -0.191 0.000 1.076 120 R CB -0.447 29.781 30.300 -0.121 0.000 1.290 120 R HN 0.272 nan 8.270 nan 0.000 0.563 121 N N 1.184 119.745 118.700 -0.231 0.000 2.746 121 N HA -0.145 4.599 4.740 0.006 0.000 0.250 121 N C -0.848 174.581 175.510 -0.136 0.000 1.055 121 N CA 0.494 53.432 53.050 -0.187 0.000 0.699 121 N CB -0.692 37.605 38.487 -0.318 0.000 0.919 121 N HN 0.358 nan 8.380 nan 0.000 0.548 122 L N -0.480 120.714 121.223 -0.047 0.000 2.267 122 L HA 0.614 4.958 4.340 0.006 0.000 0.264 122 L C 0.577 177.494 176.870 0.077 0.000 1.021 122 L CA -0.705 54.139 54.840 0.008 0.000 0.861 122 L CB 1.618 43.688 42.059 0.019 0.000 1.443 122 L HN -0.096 nan 8.230 nan 0.000 0.475 123 T N -1.047 113.572 114.554 0.108 0.000 2.812 123 T HA 0.192 4.546 4.350 0.006 0.000 0.282 123 T C -0.458 174.372 174.700 0.217 0.000 0.990 123 T CA -0.237 61.962 62.100 0.164 0.000 0.960 123 T CB 0.755 69.708 68.868 0.142 0.000 0.948 123 T HN 0.312 nan 8.240 nan 0.000 0.438 124 Y N 4.144 124.521 120.300 0.129 0.000 3.267 124 Y HA 0.151 4.705 4.550 0.006 0.000 0.381 124 Y C 0.746 176.750 175.900 0.173 0.000 1.023 124 Y CA -0.754 57.428 58.100 0.137 0.000 2.048 124 Y CB -1.004 37.536 38.460 0.134 0.000 2.239 124 Y HN 0.559 nan 8.280 nan 0.000 0.410 125 S N 0.290 116.049 115.700 0.098 0.000 2.422 125 S HA 0.503 4.976 4.470 0.006 0.000 0.298 125 S C 0.163 174.788 174.600 0.042 0.000 1.118 125 S CA -0.552 57.713 58.200 0.108 0.000 1.083 125 S CB 0.960 64.248 63.200 0.146 0.000 0.971 125 S HN 0.478 nan 8.310 nan 0.000 0.478 126 S N 2.983 118.717 115.700 0.057 0.000 2.632 126 S HA 0.732 5.206 4.470 0.006 0.000 0.271 126 S C 0.548 175.238 174.600 0.149 0.000 1.260 126 S CA -0.551 57.681 58.200 0.054 0.000 1.010 126 S CB 0.686 63.906 63.200 0.033 0.000 0.965 126 S HN 1.098 nan 8.310 nan 0.000 0.534 127 G N 0.536 109.437 108.800 0.168 0.000 2.448 127 G HA2 0.563 4.527 3.960 0.006 0.000 0.285 127 G HA3 0.563 4.527 3.960 0.006 0.000 0.285 127 G C -1.088 174.032 174.900 0.367 0.000 1.176 127 G CA -0.827 44.469 45.100 0.328 0.000 0.852 127 G HN 0.625 nan 8.290 nan 0.000 0.530 128 L N 0.572 122.083 121.223 0.479 0.000 2.329 128 L HA 0.595 4.938 4.340 0.006 0.000 0.279 128 L C -0.885 176.361 176.870 0.628 0.000 1.014 128 L CA -0.488 54.597 54.840 0.409 0.000 0.814 128 L CB 1.866 44.060 42.059 0.226 0.000 1.257 128 L HN 0.298 nan 8.230 nan 0.000 0.424 129 F N 1.903 121.942 119.950 0.148 0.000 2.520 129 F HA 0.729 5.259 4.527 0.006 0.000 0.322 129 F C -0.300 175.544 175.800 0.074 0.000 1.103 129 F CA -1.087 57.014 58.000 0.167 0.000 0.926 129 F CB 2.222 41.365 39.000 0.238 0.000 1.154 129 F HN -0.021 nan 8.300 nan 0.000 0.453 130 V N 2.513 122.533 119.914 0.177 0.000 2.623 130 V HA 0.273 4.396 4.120 0.006 0.000 0.304 130 V C -0.908 175.268 176.094 0.138 0.000 1.054 130 V CA -1.108 61.249 62.300 0.095 0.000 0.882 130 V CB 1.972 33.838 31.823 0.071 0.000 1.002 130 V HN 0.556 nan 8.190 nan 0.000 0.424 131 D N 2.705 123.160 120.400 0.091 0.000 2.414 131 D HA 0.434 5.078 4.640 0.006 0.000 0.242 131 D C -0.016 176.364 176.300 0.134 0.000 1.129 131 D CA 0.510 54.573 54.000 0.106 0.000 0.885 131 D CB 1.348 42.184 40.800 0.060 0.000 1.198 131 D HN 0.289 nan 8.370 nan 0.000 0.437 165 V N 4.057 123.963 119.914 -0.013 0.000 2.347 165 V HA 0.347 4.471 4.120 0.006 0.000 0.280 165 V C -0.311 175.673 176.094 -0.182 0.000 1.021 165 V CA -0.652 61.600 62.300 -0.081 0.000 0.847 165 V CB 0.626 32.452 31.823 0.005 0.000 0.990 165 V HN 0.333 nan 8.190 nan 0.000 0.444 166 F N 7.026 126.697 119.950 -0.465 0.000 2.518 166 F HA 0.545 5.075 4.527 0.006 0.000 0.359 166 F C -0.136 175.567 175.800 -0.162 0.000 1.118 166 F CA -0.449 57.261 58.000 -0.483 0.000 1.287 166 F CB 0.378 39.074 39.000 -0.507 0.000 1.132 166 F HN 0.447 nan 8.300 nan 0.000 0.587 167 I N 7.024 127.134 120.570 -0.765 0.000 2.588 167 I HA 0.499 4.673 4.170 0.006 0.000 0.278 167 I C -0.213 175.630 176.117 -0.457 0.000 1.144 167 I CA 0.327 61.228 61.300 -0.664 0.000 1.074 167 I CB 0.449 38.312 38.000 -0.228 0.000 1.235 167 I HN 1.106 nan 8.210 nan 0.000 0.472 168 G N 6.777 115.207 108.800 -0.618 0.000 2.782 168 G HA2 -0.179 3.785 3.960 0.006 0.000 0.228 168 G HA3 -0.179 3.785 3.960 0.006 0.000 0.228 168 G C -0.955 174.050 174.900 0.175 0.000 1.372 168 G CA -0.739 44.284 45.100 -0.129 0.000 0.862 168 G HN 0.774 nan 8.290 nan 0.000 0.547 169 R N -0.873 119.737 120.500 0.182 0.000 2.514 169 R HA 0.470 4.814 4.340 0.006 0.000 0.296 169 R C -0.874 175.549 176.300 0.205 0.000 1.012 169 R CA -0.930 55.306 56.100 0.227 0.000 0.897 169 R CB 1.915 32.342 30.300 0.212 0.000 1.184 169 R HN 0.612 nan 8.270 nan 0.000 0.440 170 L N 5.075 126.443 121.223 0.243 0.000 2.260 170 L HA 0.423 4.767 4.340 0.006 0.000 0.289 170 L C -2.450 174.599 176.870 0.298 0.000 1.057 170 L CA -1.920 53.095 54.840 0.292 0.000 0.811 170 L CB 0.860 43.129 42.059 0.350 0.000 1.184 170 L HN 0.375 nan 8.230 nan 0.000 0.429 171 P HA 0.038 nan 4.420 nan 0.000 0.262 171 P C -0.815 176.829 177.300 0.572 0.000 1.182 171 P CA 0.343 63.660 63.100 0.363 0.000 0.761 171 P CB 0.231 32.105 31.700 0.290 0.000 0.795 172 I N 3.814 124.715 120.570 0.553 0.000 2.437 172 I HA 0.344 4.517 4.170 0.006 0.000 0.298 172 I C 0.712 176.902 176.117 0.122 0.000 0.984 172 I CA -1.005 60.614 61.300 0.532 0.000 1.214 172 I CB 1.103 39.338 38.000 0.391 0.000 1.365 172 I HN 0.409 nan 8.210 nan 0.000 0.469 173 M N 5.097 124.146 119.600 -0.919 0.000 2.238 173 M HA 0.191 4.675 4.480 0.006 0.000 0.347 173 M C -0.741 175.189 176.300 -0.616 0.000 1.173 173 M CA -0.396 54.059 55.300 -1.408 0.000 1.147 173 M CB 0.744 32.123 32.600 -2.034 0.000 1.547 173 M HN 0.378 nan 8.290 nan 0.000 0.455 174 L N 5.381 126.209 121.223 -0.658 0.000 2.461 174 L HA 0.213 4.556 4.340 0.006 0.000 0.272 174 L C 0.942 177.606 176.870 -0.343 0.000 1.197 174 L CA 1.112 55.649 54.840 -0.505 0.000 0.836 174 L CB 0.343 41.915 42.059 -0.811 0.000 1.105 174 L HN 0.918 nan 8.230 nan 0.000 0.477 175 R N 0.218 120.609 120.500 -0.181 0.000 3.994 175 R HA -0.181 4.163 4.340 0.006 0.000 0.403 175 R C 0.437 176.721 176.300 -0.026 0.000 1.126 175 R CA 0.864 56.907 56.100 -0.095 0.000 1.143 175 R CB -2.237 27.987 30.300 -0.127 0.000 1.695 175 R HN 0.870 nan 8.270 nan 0.000 0.555 176 S N 0.049 115.755 115.700 0.010 0.000 2.633 176 S HA 0.201 4.675 4.470 0.006 0.000 0.257 176 S C 1.264 175.936 174.600 0.121 0.000 1.265 176 S CA -0.567 57.705 58.200 0.121 0.000 0.980 176 S CB 0.992 64.373 63.200 0.301 0.000 1.017 176 S HN 0.176 nan 8.310 nan 0.000 0.577 177 K N 0.549 121.031 120.400 0.138 0.000 2.044 177 K HA -0.145 4.179 4.320 0.006 0.000 0.210 177 K C 1.583 178.230 176.600 0.079 0.000 1.049 177 K CA 1.921 58.261 56.287 0.088 0.000 0.927 177 K CB -0.482 32.062 32.500 0.074 0.000 0.713 177 K HN 0.621 nan 8.250 nan 0.000 0.443 178 N N -0.411 118.373 118.700 0.139 0.000 2.383 178 N HA -0.009 4.734 4.740 0.006 0.000 0.192 178 N C -0.799 174.787 175.510 0.127 0.000 1.141 178 N CA -0.202 52.913 53.050 0.110 0.000 0.851 178 N CB 0.379 38.962 38.487 0.160 0.000 0.976 178 N HN 0.108 nan 8.380 nan 0.000 0.465 179 C N -0.088 119.317 119.300 0.175 0.000 2.411 179 C HA 0.318 4.782 4.460 0.006 0.000 0.330 179 C C 1.383 176.518 174.990 0.241 0.000 1.224 179 C CA -0.799 58.398 59.018 0.298 0.000 1.770 179 C CB -0.421 27.536 27.740 0.362 0.000 2.297 179 C HN 0.474 nan 8.230 nan 0.000 0.507 180 Y N 2.969 123.377 120.300 0.181 0.000 2.298 180 Y HA -0.081 4.473 4.550 0.007 0.000 0.287 180 Y C 1.984 177.938 175.900 0.090 0.000 1.164 180 Y CA 1.199 59.391 58.100 0.154 0.000 1.229 180 Y CB -0.582 38.042 38.460 0.274 0.000 0.977 180 Y HN 0.591 nan 8.280 nan 0.000 0.538 181 L N -0.908 120.461 121.223 0.242 0.000 2.711 181 L HA -0.069 4.275 4.340 0.006 0.000 0.242 181 L C 2.092 178.989 176.870 0.045 0.000 1.153 181 L CA 0.635 55.529 54.840 0.090 0.000 0.898 181 L CB -0.503 41.566 42.059 0.018 0.000 1.044 181 L HN 0.169 nan 8.230 nan 0.000 0.437 182 S N -0.520 115.218 115.700 0.063 0.000 2.458 182 S HA -0.007 4.467 4.470 0.006 0.000 0.223 182 S C 0.817 175.431 174.600 0.023 0.000 1.019 182 S CA 0.372 58.592 58.200 0.033 0.000 0.937 182 S CB 0.280 63.501 63.200 0.035 0.000 0.788 182 S HN 0.451 nan 8.310 nan 0.000 0.511 183 E N 0.240 120.462 120.200 0.037 0.000 2.448 183 E HA 0.441 4.794 4.350 0.006 0.000 0.288 183 E C -1.199 175.426 176.600 0.041 0.000 0.936 183 E CA 0.131 56.547 56.400 0.026 0.000 0.809 183 E CB 1.013 30.725 29.700 0.020 0.000 1.408 183 E HN 0.274 nan 8.360 nan 0.000 0.393 184 A N 2.486 125.318 122.820 0.019 0.000 3.907 184 A HA -0.132 4.191 4.320 0.006 0.000 0.225 184 A C 0.155 177.724 177.584 -0.024 0.000 1.241 184 A CA 0.732 52.762 52.037 -0.011 0.000 0.823 184 A CB -2.281 16.713 19.000 -0.010 0.000 0.969 184 A HN 0.636 nan 8.150 nan 0.000 0.506 185 T N -1.980 112.562 114.554 -0.020 0.000 2.849 185 T HA 0.546 4.900 4.350 0.006 0.000 0.284 185 T C 1.113 175.793 174.700 -0.033 0.000 1.004 185 T CA 0.813 62.899 62.100 -0.022 0.000 1.021 185 T CB 1.193 70.056 68.868 -0.009 0.000 1.013 185 T HN 0.605 nan 8.240 nan 0.000 0.527 186 E N 0.818 121.000 120.200 -0.029 0.000 2.048 186 E HA -0.230 4.124 4.350 0.006 0.000 0.202 186 E C 2.293 178.931 176.600 0.065 0.000 1.021 186 E CA 2.486 58.873 56.400 -0.022 0.000 0.825 186 E CB -0.412 29.298 29.700 0.016 0.000 0.756 186 E HN 0.847 nan 8.360 nan 0.000 0.454 187 S N 0.705 116.468 115.700 0.104 0.000 2.368 187 S HA -0.300 4.174 4.470 0.006 0.000 0.226 187 S C 1.771 176.422 174.600 0.085 0.000 1.044 187 S CA 1.674 59.955 58.200 0.135 0.000 1.062 187 S CB -0.857 62.372 63.200 0.048 0.000 0.931 187 S HN 0.280 nan 8.310 nan 0.000 0.440 188 D N 1.824 122.232 120.400 0.013 0.000 2.154 188 D HA -0.115 4.529 4.640 0.006 0.000 0.190 188 D C 1.884 178.144 176.300 -0.066 0.000 1.003 188 D CA 1.573 55.557 54.000 -0.028 0.000 0.849 188 D CB -0.658 40.124 40.800 -0.030 0.000 0.942 188 D HN 0.427 nan 8.370 nan 0.000 0.446 189 L N -0.733 120.427 121.223 -0.105 0.000 1.997 189 L HA -0.275 4.069 4.340 0.006 0.000 0.216 189 L C 2.440 179.201 176.870 -0.181 0.000 1.074 189 L CA 1.515 56.239 54.840 -0.194 0.000 0.763 189 L CB -0.694 41.174 42.059 -0.318 0.000 0.890 189 L HN 0.212 nan 8.230 nan 0.000 0.434 190 Y N -0.390 119.857 120.300 -0.088 0.000 2.089 190 Y HA -0.284 4.270 4.550 0.006 0.000 0.282 190 Y C 2.775 178.621 175.900 -0.091 0.000 1.139 190 Y CA 1.475 59.525 58.100 -0.084 0.000 1.123 190 Y CB -0.278 38.136 38.460 -0.077 0.000 0.980 190 Y HN 0.027 nan 8.280 nan 0.000 0.493 191 K N 0.835 121.280 120.400 0.075 0.000 2.218 191 K HA -0.210 4.114 4.320 0.006 0.000 0.205 191 K C 1.705 178.263 176.600 -0.071 0.000 1.046 191 K CA 1.295 57.578 56.287 -0.007 0.000 0.933 191 K CB -0.517 31.968 32.500 -0.024 0.000 0.728 191 K HN 0.377 nan 8.250 nan 0.000 0.454 192 L N 0.264 121.415 121.223 -0.121 0.000 2.465 192 L HA -0.081 4.263 4.340 0.006 0.000 0.224 192 L C 1.039 177.828 176.870 -0.135 0.000 1.145 192 L CA 0.850 55.563 54.840 -0.212 0.000 0.834 192 L CB -0.043 41.847 42.059 -0.281 0.000 0.944 192 L HN 0.211 nan 8.230 nan 0.000 0.451 193 K N -2.124 118.230 120.400 -0.077 0.000 3.609 193 K HA -0.169 4.154 4.320 0.006 0.000 0.277 193 K C 0.276 176.838 176.600 -0.063 0.000 1.196 193 K CA 0.894 57.151 56.287 -0.050 0.000 1.022 193 K CB -0.858 31.617 32.500 -0.042 0.000 1.292 193 K HN 0.171 nan 8.250 nan 0.000 0.484 194 E N 1.325 121.467 120.200 -0.096 0.000 2.338 194 E HA 0.078 4.432 4.350 0.006 0.000 0.272 194 E C -0.152 176.357 176.600 -0.152 0.000 1.029 194 E CA -0.124 56.219 56.400 -0.094 0.000 0.872 194 E CB 1.248 30.892 29.700 -0.093 0.000 1.015 194 E HN 0.262 nan 8.360 nan 0.000 0.417 195 C N 6.112 125.355 119.300 -0.094 0.000 2.653 195 C HA 0.149 4.613 4.460 0.006 0.000 0.421 195 C C -0.943 173.937 174.990 -0.182 0.000 1.334 195 C CA -1.348 57.603 59.018 -0.111 0.000 1.885 195 C CB -0.045 27.715 27.740 0.034 0.000 2.645 195 C HN 0.574 nan 8.230 nan 0.000 0.601 196 P HA 0.035 nan 4.420 nan 0.000 0.240 196 P C 1.006 178.096 177.300 -0.350 0.000 1.190 196 P CA 1.158 64.014 63.100 -0.406 0.000 0.781 196 P CB -0.010 31.309 31.700 -0.634 0.000 0.931 197 F N 0.530 120.416 119.950 -0.106 0.000 2.317 197 F HA 0.072 4.603 4.527 0.006 0.000 0.293 197 F C 1.108 176.983 175.800 0.124 0.000 1.085 197 F CA 0.116 58.094 58.000 -0.037 0.000 1.390 197 F CB -0.833 38.062 39.000 -0.175 0.000 1.077 197 F HN -0.157 nan 8.300 nan 0.000 0.517 198 D N 1.675 122.238 120.400 0.273 0.000 2.660 198 D HA -0.101 4.543 4.640 0.006 0.000 0.253 198 D C 1.187 177.561 176.300 0.124 0.000 1.256 198 D CA 0.230 54.361 54.000 0.219 0.000 0.914 198 D CB 0.433 41.329 40.800 0.159 0.000 1.137 198 D HN 0.069 nan 8.370 nan 0.000 0.542 199 M N 2.343 122.024 119.600 0.136 0.000 2.441 199 M HA 0.274 4.758 4.480 0.006 0.000 0.244 199 M C 0.883 177.165 176.300 -0.029 0.000 1.122 199 M CA 0.522 55.853 55.300 0.053 0.000 1.041 199 M CB -0.941 31.709 32.600 0.082 0.000 1.438 199 M HN 0.288 nan 8.290 nan 0.000 0.484 200 G N 0.664 109.441 108.800 -0.038 0.000 2.752 200 G HA2 0.125 4.089 3.960 0.006 0.000 0.234 200 G HA3 0.125 4.089 3.960 0.006 0.000 0.234 200 G C 0.475 175.197 174.900 -0.296 0.000 1.367 200 G CA 0.534 45.439 45.100 -0.325 0.000 0.879 200 G HN 1.502 nan 8.290 nan 0.000 0.563 201 G N -3.232 105.242 108.800 -0.543 0.000 2.624 201 G HA2 0.260 4.223 3.960 0.006 0.000 0.190 201 G HA3 0.260 4.223 3.960 0.006 0.000 0.190 201 G C 0.442 175.042 174.900 -0.500 0.000 1.008 201 G CA 0.611 45.474 45.100 -0.395 0.000 0.731 201 G HN 2.246 nan 8.290 nan 0.000 0.478 202 Y N 0.453 120.572 120.300 -0.301 0.000 2.304 202 Y HA 0.750 5.304 4.550 0.007 0.000 0.327 202 Y C -0.046 175.643 175.900 -0.351 0.000 1.209 202 Y CA -2.037 55.921 58.100 -0.237 0.000 1.299 202 Y CB 0.404 38.794 38.460 -0.117 0.000 1.249 202 Y HN -0.020 nan 8.280 nan 0.000 0.519 203 F N 2.646 122.664 119.950 0.114 0.000 2.411 203 F HA 0.398 4.929 4.527 0.006 0.000 0.350 203 F C -0.432 175.467 175.800 0.165 0.000 1.114 203 F CA -0.676 57.378 58.000 0.089 0.000 1.135 203 F CB 0.787 39.847 39.000 0.101 0.000 1.120 203 F HN 0.321 nan 8.300 nan 0.000 0.495 204 I N 5.659 126.414 120.570 0.308 0.000 2.308 204 I HA 0.179 4.352 4.170 0.006 0.000 0.293 204 I C -0.466 175.800 176.117 0.249 0.000 1.078 204 I CA 0.104 61.551 61.300 0.245 0.000 1.292 204 I CB -0.182 37.911 38.000 0.154 0.000 1.423 204 I HN 0.232 nan 8.210 nan 0.000 0.493 205 I N 6.107 126.793 120.570 0.194 0.000 2.465 205 I HA 0.344 4.518 4.170 0.006 0.000 0.291 205 I C 0.456 176.638 176.117 0.108 0.000 1.014 205 I CA -0.664 60.732 61.300 0.160 0.000 1.093 205 I CB 1.503 39.596 38.000 0.155 0.000 1.267 205 I HN 0.545 nan 8.210 nan 0.000 0.431 206 N N 4.138 122.892 118.700 0.090 0.000 2.678 206 N HA -0.230 4.513 4.740 0.006 0.000 0.250 206 N C 1.106 176.648 175.510 0.054 0.000 1.136 206 N CA 1.489 54.575 53.050 0.059 0.000 0.757 206 N CB -1.099 37.419 38.487 0.052 0.000 1.135 206 N HN 1.199 nan 8.380 nan 0.000 0.565 207 G N -1.562 107.278 108.800 0.066 0.000 2.157 207 G HA2 -0.266 3.697 3.960 0.006 0.000 0.248 207 G HA3 -0.266 3.697 3.960 0.006 0.000 0.248 207 G C -0.023 174.910 174.900 0.054 0.000 0.979 207 G CA 0.981 46.118 45.100 0.063 0.000 0.650 207 G HN 1.419 nan 8.290 nan 0.000 0.529 208 S N -0.602 115.126 115.700 0.045 0.000 2.536 208 S HA 0.739 5.213 4.470 0.006 0.000 0.298 208 S C -0.444 174.165 174.600 0.015 0.000 1.083 208 S CA -0.472 57.733 58.200 0.007 0.000 0.995 208 S CB 2.364 65.562 63.200 -0.004 0.000 1.058 208 S HN 0.332 nan 8.310 nan 0.000 0.488 209 E N 1.906 122.071 120.200 -0.058 0.000 2.313 209 E HA 0.387 4.740 4.350 0.006 0.000 0.276 209 E C -0.383 176.212 176.600 -0.008 0.000 1.031 209 E CA -0.552 55.820 56.400 -0.047 0.000 0.857 209 E CB 0.711 30.176 29.700 -0.391 0.000 1.040 209 E HN 0.402 nan 8.360 nan 0.000 0.408 210 K N 1.634 122.112 120.400 0.129 0.000 2.259 210 K HA 0.563 4.887 4.320 0.006 0.000 0.249 210 K C -0.890 175.844 176.600 0.223 0.000 0.942 210 K CA -0.881 55.494 56.287 0.146 0.000 0.816 210 K CB 2.294 34.905 32.500 0.184 0.000 1.155 210 K HN 0.225 nan 8.250 nan 0.000 0.428 211 V N 2.786 122.803 119.914 0.171 0.000 2.769 211 V HA 0.428 4.552 4.120 0.006 0.000 0.312 211 V C -0.287 175.913 176.094 0.177 0.000 1.061 211 V CA -1.022 61.401 62.300 0.206 0.000 0.931 211 V CB 2.057 33.995 31.823 0.191 0.000 1.010 211 V HN 0.549 nan 8.190 nan 0.000 0.433 212 L N 4.871 126.198 121.223 0.174 0.000 2.257 212 L HA 0.493 4.836 4.340 0.006 0.000 0.290 212 L C -0.488 176.387 176.870 0.009 0.000 1.044 212 L CA -0.372 54.498 54.840 0.050 0.000 0.810 212 L CB 1.058 43.174 42.059 0.096 0.000 1.193 212 L HN 0.414 nan 8.230 nan 0.000 0.425 213 I N 3.305 123.837 120.570 -0.063 0.000 2.352 213 I HA 0.186 4.360 4.170 0.006 0.000 0.290 213 I C 0.906 176.964 176.117 -0.098 0.000 1.036 213 I CA -0.311 60.944 61.300 -0.076 0.000 1.336 213 I CB 1.533 39.473 38.000 -0.101 0.000 1.407 213 I HN 0.620 nan 8.210 nan 0.000 0.497 214 A N 7.696 130.481 122.820 -0.060 0.000 2.540 214 A HA 0.005 4.328 4.320 0.006 0.000 0.264 214 A C 0.557 178.102 177.584 -0.065 0.000 1.080 214 A CA -0.084 51.922 52.037 -0.051 0.000 0.776 214 A CB -0.287 18.704 19.000 -0.015 0.000 1.011 214 A HN 0.658 nan 8.150 nan 0.000 0.514 215 Q N 1.411 121.156 119.800 -0.092 0.000 2.373 215 Q HA 0.229 4.573 4.340 0.006 0.000 0.255 215 Q C 0.169 176.139 176.000 -0.050 0.000 0.980 215 Q CA 0.327 56.080 55.803 -0.082 0.000 0.882 215 Q CB 1.151 29.824 28.738 -0.109 0.000 1.249 215 Q HN 0.872 nan 8.270 nan 0.000 0.438 216 E N 1.144 121.323 120.200 -0.036 0.000 2.249 216 E HA 0.639 4.993 4.350 0.006 0.000 0.263 216 E C -0.820 175.757 176.600 -0.039 0.000 0.950 216 E CA -0.625 55.754 56.400 -0.035 0.000 0.827 216 E CB 1.377 31.077 29.700 -0.000 0.000 1.220 216 E HN 0.576 nan 8.360 nan 0.000 0.411 217 R N -0.123 120.341 120.500 -0.059 0.000 2.753 217 R HA 0.309 4.653 4.340 0.006 0.000 0.272 217 R C -1.488 174.769 176.300 -0.072 0.000 1.034 217 R CA -0.845 55.226 56.100 -0.049 0.000 0.869 217 R CB 0.712 30.988 30.300 -0.039 0.000 1.264 217 R HN 0.300 nan 8.270 nan 0.000 0.481 218 S N 1.060 116.731 115.700 -0.048 0.000 2.516 218 S HA 0.334 4.808 4.470 0.006 0.000 0.282 218 S C 0.420 174.979 174.600 -0.069 0.000 1.286 218 S CA 0.093 58.263 58.200 -0.050 0.000 1.066 218 S CB 0.765 63.962 63.200 -0.005 0.000 0.884 218 S HN 0.653 nan 8.310 nan 0.000 0.491 219 A N 3.728 126.481 122.820 -0.111 0.000 2.555 219 A HA 0.468 4.792 4.320 0.006 0.000 0.233 219 A C 0.980 178.508 177.584 -0.093 0.000 1.060 219 A CA 0.211 52.166 52.037 -0.137 0.000 0.759 219 A CB -0.175 18.694 19.000 -0.217 0.000 0.995 219 A HN 0.876 nan 8.150 nan 0.000 0.506 220 G N -0.083 108.661 108.800 -0.094 0.000 2.522 220 G HA2 0.426 4.390 3.960 0.006 0.000 0.304 220 G HA3 0.426 4.390 3.960 0.006 0.000 0.304 220 G C 0.152 175.013 174.900 -0.066 0.000 1.210 220 G CA -0.138 44.921 45.100 -0.068 0.000 0.960 220 G HN 1.027 nan 8.290 nan 0.000 0.497 221 N N -1.829 116.821 118.700 -0.085 0.000 2.693 221 N HA -0.168 4.575 4.740 0.006 0.000 0.249 221 N C -0.324 175.263 175.510 0.128 0.000 1.119 221 N CA 1.054 54.031 53.050 -0.122 0.000 0.717 221 N CB -1.230 37.090 38.487 -0.279 0.000 1.071 221 N HN 0.521 nan 8.380 nan 0.000 0.555 222 I N 0.049 120.700 120.570 0.136 0.000 2.433 222 I HA 0.289 4.463 4.170 0.006 0.000 0.292 222 I C 0.319 176.555 176.117 0.199 0.000 1.001 222 I CA -1.143 60.281 61.300 0.207 0.000 1.119 222 I CB 1.991 40.047 38.000 0.094 0.000 1.289 222 I HN -0.275 nan 8.210 nan 0.000 0.438 223 V N 5.674 125.731 119.914 0.238 0.000 2.432 223 V HA 0.306 4.429 4.120 0.006 0.000 0.271 223 V C -0.089 176.042 176.094 0.063 0.000 1.046 223 V CA -0.413 61.993 62.300 0.177 0.000 0.945 223 V CB 0.525 32.447 31.823 0.165 0.000 0.992 223 V HN 0.728 nan 8.190 nan 0.000 0.471 224 Q N 2.628 122.464 119.800 0.061 0.000 2.387 224 Q HA 0.741 5.085 4.340 0.006 0.000 0.273 224 Q C -1.283 174.661 176.000 -0.094 0.000 1.089 224 Q CA -0.821 54.941 55.803 -0.068 0.000 0.824 224 Q CB 2.964 31.643 28.738 -0.099 0.000 1.367 224 Q HN 0.683 nan 8.270 nan 0.000 0.443 225 V N 1.016 120.768 119.914 -0.271 0.000 2.384 225 V HA 0.565 4.689 4.120 0.006 0.000 0.287 225 V C -0.925 174.969 176.094 -0.333 0.000 1.020 225 V CA -0.680 61.519 62.300 -0.170 0.000 0.850 225 V CB 0.425 32.183 31.823 -0.108 0.000 0.987 225 V HN 0.572 nan 8.190 nan 0.000 0.436 226 F N 3.671 123.623 119.950 0.002 0.000 2.507 226 F HA 0.741 5.272 4.527 0.006 0.000 0.325 226 F C 0.137 175.887 175.800 -0.083 0.000 1.116 226 F CA -0.644 57.338 58.000 -0.029 0.000 0.930 226 F CB 2.330 41.317 39.000 -0.021 0.000 1.146 226 F HN 0.572 nan 8.300 nan 0.000 0.447 227 K N 1.773 122.212 120.400 0.065 0.000 2.513 227 K HA 0.756 5.080 4.320 0.006 0.000 0.251 227 K C -1.386 175.206 176.600 -0.014 0.000 0.939 227 K CA -1.291 54.945 56.287 -0.085 0.000 0.793 227 K CB 2.030 34.314 32.500 -0.361 0.000 1.241 227 K HN 0.387 nan 8.250 nan 0.000 0.431 228 K N 0.702 121.091 120.400 -0.018 0.000 4.290 228 K HA -0.059 4.264 4.320 0.006 0.000 0.551 228 K C -0.666 175.887 176.600 -0.078 0.000 1.169 228 K CA 0.922 57.178 56.287 -0.052 0.000 1.215 228 K CB -1.617 30.851 32.500 -0.053 0.000 1.818 228 K HN 0.971 nan 8.250 nan 0.000 0.392 229 A N 1.061 123.851 122.820 -0.049 0.000 2.492 229 A HA 0.489 4.813 4.320 0.006 0.000 0.236 229 A C 1.512 179.074 177.584 -0.037 0.000 1.078 229 A CA 0.629 52.642 52.037 -0.040 0.000 0.773 229 A CB 0.294 19.280 19.000 -0.023 0.000 1.023 229 A HN 0.936 nan 8.150 nan 0.000 0.504 230 A N 1.088 123.895 122.820 -0.023 0.000 2.178 230 A HA 0.304 4.627 4.320 0.006 0.000 0.211 230 A C -1.692 175.885 177.584 -0.012 0.000 1.157 230 A CA 0.765 52.793 52.037 -0.014 0.000 0.780 230 A CB -0.282 18.721 19.000 0.006 0.000 0.828 230 A HN 0.589 nan 8.150 nan 0.000 0.476 231 P HA 0.349 nan 4.420 nan 0.000 0.202 231 P C -0.389 176.906 177.300 -0.009 0.000 1.871 231 P CA -0.256 62.840 63.100 -0.006 0.000 1.068 231 P CB 0.115 31.815 31.700 -0.000 0.000 1.818 232 S N 1.914 117.605 115.700 -0.016 0.000 3.089 232 S HA -0.082 4.392 4.470 0.006 0.000 0.857 232 S C -1.787 172.792 174.600 -0.035 0.000 1.012 232 S CA -0.313 57.868 58.200 -0.032 0.000 1.286 232 S CB -0.527 62.648 63.200 -0.040 0.000 0.913 232 S HN 0.173 nan 8.310 nan 0.000 0.247 233 P HA 0.142 nan 4.420 nan 0.000 0.214 233 P C 1.279 178.496 177.300 -0.137 0.000 1.167 233 P CA 0.833 63.885 63.100 -0.080 0.000 0.882 233 P CB -0.177 31.452 31.700 -0.118 0.000 0.777 234 I N -1.348 119.079 120.570 -0.238 0.000 3.360 234 I HA 0.181 4.355 4.170 0.006 0.000 0.249 234 I C 0.913 176.986 176.117 -0.073 0.000 1.216 234 I CA 0.695 61.857 61.300 -0.230 0.000 0.905 234 I CB 0.109 37.941 38.000 -0.281 0.000 1.618 234 I HN 0.122 nan 8.210 nan 0.000 0.853 235 S N -0.781 114.913 115.700 -0.010 0.000 2.475 235 S HA 0.241 4.714 4.470 0.006 0.000 0.270 235 S C -0.268 174.295 174.600 -0.061 0.000 1.026 235 S CA -0.408 57.802 58.200 0.017 0.000 1.437 235 S CB -0.288 62.992 63.200 0.133 0.000 1.215 235 S HN 0.912 nan 8.310 nan 0.000 0.648 236 H N -0.138 118.937 119.070 0.007 0.000 2.954 236 H HA 0.749 5.309 4.556 0.006 0.000 0.361 236 H C -1.626 173.730 175.328 0.047 0.000 1.122 236 H CA -0.429 55.638 56.048 0.032 0.000 1.217 236 H CB 2.196 31.973 29.762 0.025 0.000 1.776 236 H HN 0.172 nan 8.280 nan 0.000 0.533 237 V N 1.883 121.901 119.914 0.174 0.000 2.569 237 V HA 0.665 4.789 4.120 0.006 0.000 0.301 237 V C -0.540 175.679 176.094 0.208 0.000 1.044 237 V CA -0.776 61.624 62.300 0.167 0.000 0.874 237 V CB 1.742 33.640 31.823 0.125 0.000 1.002 237 V HN 0.943 nan 8.190 nan 0.000 0.424 238 A N 4.042 126.961 122.820 0.166 0.000 2.260 238 A HA 0.775 5.098 4.320 0.006 0.000 0.308 238 A C -0.294 177.400 177.584 0.183 0.000 1.254 238 A CA -0.356 51.773 52.037 0.153 0.000 0.874 238 A CB 0.618 19.676 19.000 0.096 0.000 1.153 238 A HN 0.832 nan 8.150 nan 0.000 0.527 239 E N 1.722 122.064 120.200 0.236 0.000 2.238 239 E HA 0.672 5.026 4.350 0.006 0.000 0.267 239 E C -1.762 174.963 176.600 0.208 0.000 0.887 239 E CA -0.540 55.993 56.400 0.223 0.000 0.769 239 E CB 1.846 31.705 29.700 0.265 0.000 1.187 239 E HN 0.652 nan 8.360 nan 0.000 0.416 240 I N 3.213 123.889 120.570 0.176 0.000 2.548 240 I HA 0.338 4.512 4.170 0.006 0.000 0.287 240 I C -0.950 175.230 176.117 0.105 0.000 1.103 240 I CA -0.520 60.882 61.300 0.169 0.000 1.049 240 I CB 1.081 39.229 38.000 0.248 0.000 1.232 240 I HN 0.461 nan 8.210 nan 0.000 0.429 241 R N 4.682 125.226 120.500 0.073 0.000 2.390 241 R HA 0.518 4.861 4.340 0.006 0.000 0.291 241 R C -0.748 175.544 176.300 -0.013 0.000 1.070 241 R CA -0.286 55.831 56.100 0.029 0.000 1.014 241 R CB 1.086 31.396 30.300 0.017 0.000 1.007 241 R HN 0.653 nan 8.270 nan 0.000 0.466 242 S N 0.632 116.320 115.700 -0.020 0.000 2.733 242 S HA 0.750 5.223 4.470 0.006 0.000 0.294 242 S C -1.051 173.530 174.600 -0.031 0.000 1.149 242 S CA -0.979 57.186 58.200 -0.057 0.000 1.034 242 S CB 2.135 65.340 63.200 0.008 0.000 1.015 242 S HN 0.738 nan 8.310 nan 0.000 0.486 243 A N 3.087 125.872 122.820 -0.059 0.000 2.574 243 A HA 0.741 5.064 4.320 0.006 0.000 0.297 243 A C -0.628 176.944 177.584 -0.019 0.000 1.062 243 A CA -0.851 51.174 52.037 -0.020 0.000 0.686 243 A CB 0.947 19.940 19.000 -0.011 0.000 1.285 243 A HN 0.773 nan 8.150 nan 0.000 0.403 244 L N 0.988 122.216 121.223 0.008 0.000 2.470 244 L HA 0.188 4.531 4.340 0.006 0.000 0.243 244 L C 2.077 178.956 176.870 0.016 0.000 1.227 244 L CA 0.075 54.925 54.840 0.017 0.000 0.824 244 L CB 0.480 42.550 42.059 0.019 0.000 1.175 244 L HN 1.051 nan 8.230 nan 0.000 0.503 245 E N 0.665 120.878 120.200 0.023 0.000 2.051 245 E HA -0.086 4.268 4.350 0.006 0.000 0.189 245 E C -0.057 176.562 176.600 0.032 0.000 0.979 245 E CA 0.602 57.018 56.400 0.027 0.000 0.803 245 E CB 0.015 29.734 29.700 0.032 0.000 0.761 245 E HN 0.531 nan 8.360 nan 0.000 0.451 246 K N -0.157 120.262 120.400 0.032 0.000 2.375 246 K HA 0.559 4.882 4.320 0.006 0.000 0.249 246 K C -0.380 176.242 176.600 0.037 0.000 0.942 246 K CA -0.521 55.788 56.287 0.037 0.000 0.806 246 K CB 2.110 34.631 32.500 0.035 0.000 1.227 246 K HN 0.166 nan 8.250 nan 0.000 0.430 247 G N 1.291 110.118 108.800 0.045 0.000 3.292 247 G HA2 0.098 4.062 3.960 0.006 0.000 0.636 247 G HA3 0.098 4.062 3.960 0.006 0.000 0.636 247 G C -0.121 174.804 174.900 0.042 0.000 1.069 247 G CA 0.034 45.162 45.100 0.047 0.000 0.890 247 G HN 1.632 nan 8.290 nan 0.000 0.427 252 S N 3.578 119.299 115.700 0.035 0.000 2.547 252 S HA 0.781 5.255 4.470 0.006 0.000 0.281 252 S C -0.536 174.089 174.600 0.041 0.000 1.118 252 S CA -0.296 57.934 58.200 0.050 0.000 0.947 252 S CB 1.706 64.943 63.200 0.061 0.000 1.053 252 S HN 0.681 nan 8.310 nan 0.000 0.482 253 T N 2.704 117.287 114.554 0.049 0.000 2.756 253 T HA 0.634 4.988 4.350 0.006 0.000 0.290 253 T C -0.548 174.189 174.700 0.061 0.000 0.985 253 T CA -0.693 61.435 62.100 0.046 0.000 0.955 253 T CB 0.955 69.843 68.868 0.035 0.000 0.930 253 T HN 0.413 nan 8.240 nan 0.000 0.451 254 L N 2.769 124.036 121.223 0.073 0.000 2.307 254 L HA 0.562 4.906 4.340 0.006 0.000 0.282 254 L C -0.369 176.569 176.870 0.113 0.000 1.051 254 L CA -0.076 54.826 54.840 0.102 0.000 0.804 254 L CB 1.457 43.586 42.059 0.117 0.000 1.197 254 L HN 0.771 nan 8.230 nan 0.000 0.431 255 Q N 3.364 123.233 119.800 0.115 0.000 2.375 255 Q HA 0.665 5.008 4.340 0.006 0.000 0.271 255 Q C -1.634 174.443 176.000 0.127 0.000 1.074 255 Q CA -0.975 54.895 55.803 0.112 0.000 0.808 255 Q CB 2.835 31.620 28.738 0.078 0.000 1.327 255 Q HN 0.531 nan 8.270 nan 0.000 0.441 256 V N 1.669 121.662 119.914 0.132 0.000 2.448 256 V HA 0.517 4.640 4.120 0.006 0.000 0.295 256 V C -0.558 175.613 176.094 0.129 0.000 1.025 256 V CA -0.840 61.539 62.300 0.131 0.000 0.859 256 V CB 1.593 33.495 31.823 0.130 0.000 0.988 256 V HN 0.621 nan 8.190 nan 0.000 0.431 257 K N 3.540 124.027 120.400 0.144 0.000 2.324 257 K HA 0.681 5.005 4.320 0.006 0.000 0.253 257 K C -1.455 175.265 176.600 0.200 0.000 0.932 257 K CA -0.897 55.478 56.287 0.147 0.000 0.799 257 K CB 2.675 35.250 32.500 0.125 0.000 1.154 257 K HN 0.524 nan 8.250 nan 0.000 0.425 258 L N 4.076 125.402 121.223 0.171 0.000 2.301 258 L HA 0.347 4.691 4.340 0.006 0.000 0.278 258 L C -1.168 175.821 176.870 0.197 0.000 1.022 258 L CA -0.358 54.595 54.840 0.188 0.000 0.854 258 L CB -0.004 42.127 42.059 0.121 0.000 1.226 258 L HN 0.450 nan 8.230 nan 0.000 0.429 259 Y N 3.477 123.814 120.300 0.062 0.000 2.394 259 Y HA 0.493 5.047 4.550 0.006 0.000 0.351 259 Y C 1.412 177.346 175.900 0.056 0.000 1.272 259 Y CA 0.836 58.971 58.100 0.057 0.000 1.508 259 Y CB 0.329 38.817 38.460 0.047 0.000 1.369 259 Y HN 0.860 nan 8.280 nan 0.000 0.639 260 G N 1.275 110.194 108.800 0.198 0.000 2.819 260 G HA2 -0.207 3.757 3.960 0.006 0.000 0.682 260 G HA3 -0.207 3.757 3.960 0.006 0.000 0.682 260 G C -0.419 174.538 174.900 0.096 0.000 1.481 260 G CA -0.717 44.462 45.100 0.131 0.000 0.904 260 G HN 0.621 nan 8.290 nan 0.000 0.563 261 R N -0.101 120.445 120.500 0.075 0.000 2.527 261 R HA 0.372 4.716 4.340 0.006 0.000 0.243 261 R C 0.643 176.980 176.300 0.062 0.000 1.206 261 R CA -0.722 55.418 56.100 0.067 0.000 1.134 261 R CB 0.512 30.843 30.300 0.050 0.000 1.347 261 R HN 0.704 nan 8.270 nan 0.000 0.580 262 E N 0.266 120.501 120.200 0.057 0.000 2.299 262 E HA 0.046 4.399 4.350 0.006 0.000 0.272 262 E C 0.336 176.958 176.600 0.037 0.000 1.043 262 E CA 0.869 57.295 56.400 0.043 0.000 0.895 262 E CB 0.475 30.201 29.700 0.042 0.000 1.011 262 E HN 0.781 nan 8.360 nan 0.000 0.432 263 G N 3.514 112.334 108.800 0.033 0.000 2.268 263 G HA2 -0.289 3.675 3.960 0.006 0.000 0.240 263 G HA3 -0.289 3.675 3.960 0.006 0.000 0.240 263 G C 0.499 175.420 174.900 0.034 0.000 1.010 263 G CA 0.250 45.369 45.100 0.031 0.000 0.618 263 G HN 0.586 nan 8.290 nan 0.000 0.516 264 S N 0.497 116.221 115.700 0.039 0.000 2.558 264 S HA 0.386 4.860 4.470 0.006 0.000 0.291 264 S C 0.887 175.512 174.600 0.042 0.000 1.306 264 S CA 0.795 59.021 58.200 0.044 0.000 1.056 264 S CB 1.077 64.309 63.200 0.055 0.000 0.836 264 S HN 0.990 nan 8.310 nan 0.000 0.504 265 S N 2.898 118.621 115.700 0.039 0.000 2.429 265 S HA 0.446 4.920 4.470 0.006 0.000 0.292 265 S C -0.036 174.587 174.600 0.038 0.000 1.183 265 S CA 0.213 58.433 58.200 0.034 0.000 1.088 265 S CB -1.067 62.151 63.200 0.030 0.000 1.018 265 S HN 1.533 nan 8.310 nan 0.000 0.511 266 A N 5.053 127.894 122.820 0.035 0.000 2.432 266 A HA -0.036 4.288 4.320 0.006 0.000 0.684 266 A C 0.271 177.884 177.584 0.048 0.000 0.151 266 A CA -0.450 51.608 52.037 0.035 0.000 0.058 266 A CB -0.788 18.229 19.000 0.028 0.000 3.959 266 A HN 0.704 nan 8.150 nan 0.000 0.546 267 R N 1.650 122.173 120.500 0.040 0.000 3.541 267 R HA 0.109 4.453 4.340 0.006 0.000 0.277 267 R C 0.950 177.278 176.300 0.047 0.000 1.539 267 R CA 0.759 56.885 56.100 0.044 0.000 1.338 267 R CB -0.221 30.093 30.300 0.023 0.000 1.343 267 R HN 0.987 nan 8.270 nan 0.000 0.623 268 T N 0.331 114.913 114.554 0.047 0.000 2.946 268 T HA 0.120 4.474 4.350 0.006 0.000 0.311 268 T C 0.503 175.237 174.700 0.056 0.000 1.063 268 T CA 0.134 62.246 62.100 0.021 0.000 1.139 268 T CB 0.263 69.102 68.868 -0.047 0.000 0.994 268 T HN 0.218 nan 8.240 nan 0.000 0.547 269 I N 5.237 125.833 120.570 0.043 0.000 2.382 269 I HA 0.435 4.609 4.170 0.006 0.000 0.286 269 I C 0.448 176.601 176.117 0.060 0.000 1.002 269 I CA -0.823 60.525 61.300 0.079 0.000 1.135 269 I CB 1.488 39.534 38.000 0.076 0.000 1.288 269 I HN 0.591 nan 8.210 nan 0.000 0.448 270 K N 4.364 124.825 120.400 0.101 0.000 2.316 270 K HA 0.958 5.281 4.320 0.006 0.000 0.234 270 K C -0.897 175.782 176.600 0.132 0.000 1.054 270 K CA -0.991 55.348 56.287 0.086 0.000 0.879 270 K CB 2.554 35.086 32.500 0.053 0.000 1.252 270 K HN 0.643 nan 8.250 nan 0.000 0.471 271 A N 0.373 123.261 122.820 0.114 0.000 2.566 271 A HA 0.406 4.729 4.320 0.006 0.000 0.297 271 A C -1.225 176.421 177.584 0.103 0.000 1.059 271 A CA -0.665 51.440 52.037 0.113 0.000 0.691 271 A CB 1.585 20.639 19.000 0.090 0.000 1.282 271 A HN 0.472 nan 8.150 nan 0.000 0.401 272 T N 2.536 117.154 114.554 0.107 0.000 2.723 272 T HA 0.443 4.797 4.350 0.006 0.000 0.297 272 T C -0.141 174.610 174.700 0.083 0.000 0.925 272 T CA 0.433 62.588 62.100 0.091 0.000 1.030 272 T CB -0.447 68.472 68.868 0.085 0.000 0.905 272 T HN 0.421 nan 8.240 nan 0.000 0.502 273 L N 6.074 127.330 121.223 0.055 0.000 2.307 273 L HA 0.375 4.718 4.340 0.006 0.000 0.282 273 L C -1.798 175.061 176.870 -0.018 0.000 1.051 273 L CA -2.473 52.387 54.840 0.034 0.000 0.804 273 L CB 1.051 43.097 42.059 -0.022 0.000 1.197 273 L HN 0.345 nan 8.230 nan 0.000 0.431 274 P HA -0.184 nan 4.420 nan 0.000 0.207 274 P C -1.085 176.019 177.300 -0.326 0.000 0.945 274 P CA 0.768 63.813 63.100 -0.093 0.000 1.033 274 P CB -0.806 30.820 31.700 -0.124 0.000 1.023 275 Y N 0.385 120.714 120.300 0.047 0.000 2.501 275 Y HA -0.336 4.217 4.550 0.006 0.000 0.097 275 Y C 0.178 176.109 175.900 0.053 0.000 1.696 275 Y CA -0.934 57.195 58.100 0.047 0.000 1.423 275 Y CB -1.679 36.810 38.460 0.048 0.000 2.068 275 Y HN 0.320 nan 8.280 nan 0.000 0.253 276 I N 1.271 122.058 120.570 0.362 0.000 8.813 276 I HA -0.356 3.818 4.170 0.006 0.000 0.126 276 I C 0.231 176.410 176.117 0.104 0.000 1.855 276 I CA 1.293 62.738 61.300 0.241 0.000 2.050 276 I CB -0.396 37.813 38.000 0.348 0.000 3.888 276 I HN 0.967 nan 8.210 nan 0.000 0.173 277 K N 2.607 123.049 120.400 0.070 0.000 1.154 277 K HA -0.212 4.112 4.320 0.006 0.000 0.809 277 K C -0.079 176.541 176.600 0.033 0.000 2.382 277 K CA 0.695 56.994 56.287 0.019 0.000 1.525 277 K CB -0.084 32.394 32.500 -0.037 0.000 2.768 277 K HN 0.714 nan 8.250 nan 0.000 0.182 278 Q N 0.788 120.601 119.800 0.022 0.000 2.584 278 Q HA -0.051 4.293 4.340 0.006 0.000 0.235 278 Q C -0.456 175.595 176.000 0.086 0.000 1.079 278 Q CA 0.102 55.940 55.803 0.059 0.000 0.977 278 Q CB 0.464 29.236 28.738 0.058 0.000 1.293 278 Q HN 0.262 nan 8.270 nan 0.000 0.553 279 D N 1.447 121.914 120.400 0.111 0.000 2.443 279 D HA 0.071 4.715 4.640 0.006 0.000 0.239 279 D C -0.228 176.148 176.300 0.125 0.000 1.136 279 D CA 0.579 54.651 54.000 0.120 0.000 0.879 279 D CB 0.512 41.409 40.800 0.163 0.000 1.195 279 D HN 0.290 nan 8.370 nan 0.000 0.443 280 I N 2.648 123.283 120.570 0.109 0.000 2.382 280 I HA 0.217 4.391 4.170 0.006 0.000 0.286 280 I C -2.351 173.784 176.117 0.031 0.000 1.002 280 I CA -2.500 58.871 61.300 0.118 0.000 1.135 280 I CB 1.113 39.200 38.000 0.144 0.000 1.288 280 I HN -0.131 nan 8.210 nan 0.000 0.448 281 P HA 0.063 nan 4.420 nan 0.000 0.265 281 P C 1.435 178.725 177.300 -0.017 0.000 1.187 281 P CA 0.052 63.136 63.100 -0.027 0.000 0.766 281 P CB 0.645 32.301 31.700 -0.073 0.000 0.820 282 I N 1.971 122.555 120.570 0.022 0.000 2.423 282 I HA -0.229 3.945 4.170 0.006 0.000 0.254 282 I C 1.662 177.856 176.117 0.129 0.000 1.151 282 I CA 1.301 62.619 61.300 0.030 0.000 1.421 282 I CB -1.056 37.013 38.000 0.115 0.000 1.079 282 I HN 0.123 nan 8.210 nan 0.000 0.431 283 V N 0.797 120.790 119.914 0.131 0.000 2.287 283 V HA -0.246 3.878 4.120 0.006 0.000 0.248 283 V C 2.556 178.700 176.094 0.083 0.000 1.053 283 V CA 1.827 64.213 62.300 0.144 0.000 1.027 283 V CB -1.245 30.614 31.823 0.060 0.000 0.646 283 V HN 0.480 nan 8.190 nan 0.000 0.447 284 I N 0.425 120.982 120.570 -0.021 0.000 2.394 284 I HA -0.129 4.045 4.170 0.006 0.000 0.251 284 I C 2.623 178.703 176.117 -0.062 0.000 1.136 284 I CA 1.408 62.666 61.300 -0.070 0.000 1.425 284 I CB -1.241 36.658 38.000 -0.169 0.000 1.079 284 I HN 0.303 nan 8.210 nan 0.000 0.425 285 I N 0.362 120.867 120.570 -0.108 0.000 2.439 285 I HA -0.202 3.972 4.170 0.006 0.000 0.251 285 I C 2.587 178.528 176.117 -0.294 0.000 1.139 285 I CA 1.465 62.614 61.300 -0.253 0.000 1.438 285 I CB -1.172 36.597 38.000 -0.384 0.000 1.085 285 I HN 0.090 nan 8.210 nan 0.000 0.427 286 F N 1.310 121.190 119.950 -0.117 0.000 2.259 286 F HA -0.057 4.474 4.527 0.006 0.000 0.298 286 F C 2.642 178.383 175.800 -0.098 0.000 1.088 286 F CA 0.915 58.839 58.000 -0.126 0.000 1.358 286 F CB -0.198 38.737 39.000 -0.108 0.000 1.040 286 F HN -0.065 nan 8.300 nan 0.000 0.505 287 R N -0.337 120.227 120.500 0.107 0.000 2.240 287 R HA 0.091 4.434 4.340 0.006 0.000 0.203 287 R C 1.875 178.180 176.300 0.009 0.000 1.011 287 R CA 0.688 56.818 56.100 0.050 0.000 1.007 287 R CB -0.219 30.100 30.300 0.032 0.000 0.911 287 R HN 0.150 nan 8.270 nan 0.000 0.468 288 A N 0.172 122.975 122.820 -0.028 0.000 2.251 288 A HA 0.126 4.450 4.320 0.006 0.000 0.209 288 A C 1.625 179.166 177.584 -0.072 0.000 1.187 288 A CA 0.361 52.367 52.037 -0.050 0.000 0.823 288 A CB 0.039 18.995 19.000 -0.073 0.000 0.846 288 A HN 0.159 nan 8.150 nan 0.000 0.486 289 L N -2.794 118.392 121.223 -0.062 0.000 2.349 289 L HA 0.329 4.673 4.340 0.006 0.000 0.200 289 L C 1.970 178.843 176.870 0.005 0.000 1.064 289 L CA 1.108 55.919 54.840 -0.049 0.000 0.821 289 L CB 0.218 42.233 42.059 -0.073 0.000 1.027 289 L HN 0.471 nan 8.230 nan 0.000 0.476 290 G N -0.469 108.348 108.800 0.029 0.000 3.847 290 G HA2 0.002 3.966 3.960 0.006 0.000 0.189 290 G HA3 0.002 3.966 3.960 0.006 0.000 0.189 290 G C -0.041 174.894 174.900 0.058 0.000 0.907 290 G CA -0.498 44.627 45.100 0.043 0.000 0.893 290 G HN 0.050 nan 8.290 nan 0.000 0.379 291 I N 4.160 124.776 120.570 0.078 0.000 2.421 291 I HA 0.270 4.443 4.170 0.006 0.000 0.291 291 I C 1.550 177.705 176.117 0.063 0.000 1.089 291 I CA -0.331 61.020 61.300 0.085 0.000 1.354 291 I CB 0.606 38.670 38.000 0.108 0.000 1.413 291 I HN 0.028 nan 8.210 nan 0.000 0.513 292 I N 5.649 126.246 120.570 0.045 0.000 2.429 292 I HA 0.136 4.310 4.170 0.006 0.000 0.247 292 I C -1.429 174.702 176.117 0.023 0.000 1.099 292 I CA 0.155 61.475 61.300 0.034 0.000 1.422 292 I CB -2.081 35.936 38.000 0.028 0.000 1.112 292 I HN 0.349 nan 8.210 nan 0.000 0.430 293 P HA 0.201 nan 4.420 nan 0.000 0.275 293 P C -0.914 176.367 177.300 -0.032 0.000 1.228 293 P CA 0.299 63.398 63.100 -0.003 0.000 0.786 293 P CB 0.212 31.910 31.700 -0.004 0.000 0.927 294 D N 1.554 121.923 120.400 -0.052 0.000 3.092 294 D HA -0.008 4.635 4.640 0.006 0.000 0.253 294 D C 0.972 177.253 176.300 -0.031 0.000 1.063 294 D CA 1.915 55.897 54.000 -0.030 0.000 0.886 294 D CB -1.582 39.218 40.800 -0.000 0.000 1.021 294 D HN 0.753 nan 8.370 nan 0.000 0.425 295 G N 0.425 109.196 108.800 -0.048 0.000 2.475 295 G HA2 -0.360 3.604 3.960 0.006 0.000 0.209 295 G HA3 -0.360 3.604 3.960 0.006 0.000 0.209 295 G C 0.859 175.721 174.900 -0.062 0.000 1.127 295 G CA 0.410 45.486 45.100 -0.040 0.000 0.681 295 G HN 0.495 nan 8.290 nan 0.000 0.517 296 E N 0.022 120.181 120.200 -0.068 0.000 2.230 296 E HA 0.125 4.479 4.350 0.006 0.000 0.192 296 E C 2.426 178.938 176.600 -0.147 0.000 0.987 296 E CA 0.518 56.856 56.400 -0.103 0.000 0.841 296 E CB -0.064 29.603 29.700 -0.056 0.000 0.783 296 E HN 0.401 nan 8.360 nan 0.000 0.481 297 I N 1.539 122.015 120.570 -0.157 0.000 2.335 297 I HA -0.282 3.892 4.170 0.006 0.000 0.251 297 I C 2.112 178.037 176.117 -0.321 0.000 1.129 297 I CA 1.182 62.275 61.300 -0.344 0.000 1.402 297 I CB -0.890 36.892 38.000 -0.364 0.000 1.069 297 I HN 0.263 nan 8.210 nan 0.000 0.424 298 L N -0.167 120.941 121.223 -0.191 0.000 2.027 298 L HA -0.168 4.176 4.340 0.006 0.000 0.206 298 L C 2.006 178.800 176.870 -0.126 0.000 1.074 298 L CA 1.328 56.086 54.840 -0.138 0.000 0.745 298 L CB -0.779 41.229 42.059 -0.085 0.000 0.898 298 L HN 0.267 nan 8.230 nan 0.000 0.433 299 E N -0.903 119.204 120.200 -0.155 0.000 2.511 299 E HA -0.110 4.243 4.350 0.006 0.000 0.196 299 E C 1.750 178.283 176.600 -0.111 0.000 1.066 299 E CA 0.095 56.425 56.400 -0.116 0.000 0.871 299 E CB 0.132 29.714 29.700 -0.197 0.000 0.863 299 E HN 0.565 nan 8.360 nan 0.000 0.520 300 H N -0.005 118.959 119.070 -0.177 0.000 2.329 300 H HA 0.038 4.598 4.556 0.006 0.000 0.306 300 H C 2.099 177.476 175.328 0.081 0.000 1.062 300 H CA 0.735 56.660 56.048 -0.206 0.000 1.364 300 H CB 0.272 29.769 29.762 -0.441 0.000 1.409 300 H HN 0.119 nan 8.280 nan 0.000 0.519 301 I N 1.015 121.620 120.570 0.057 0.000 2.716 301 I HA -0.142 4.031 4.170 0.006 0.000 0.222 301 I C 1.379 177.318 176.117 -0.296 0.000 1.055 301 I CA 0.235 61.517 61.300 -0.031 0.000 1.397 301 I CB -0.137 37.851 38.000 -0.019 0.000 1.230 301 I HN 0.208 nan 8.210 nan 0.000 0.412 302 C N 0.550 119.714 119.300 -0.227 0.000 2.679 302 C HA 0.046 4.510 4.460 0.006 0.000 0.417 302 C C 1.263 176.136 174.990 -0.194 0.000 1.302 302 C CA -0.444 58.421 59.018 -0.255 0.000 1.973 302 C CB -0.504 27.168 27.740 -0.114 0.000 2.715 302 C HN 0.479 nan 8.230 nan 0.000 0.628 303 Y N 0.943 121.290 120.300 0.078 0.000 2.331 303 Y HA 0.217 4.771 4.550 0.006 0.000 0.282 303 Y C 1.425 177.342 175.900 0.029 0.000 1.140 303 Y CA 0.084 58.232 58.100 0.081 0.000 1.198 303 Y CB -0.380 38.172 38.460 0.154 0.000 1.159 303 Y HN 0.640 nan 8.280 nan 0.000 0.512 304 D N -0.144 120.378 120.400 0.203 0.000 2.345 304 D HA 0.120 4.764 4.640 0.006 0.000 0.247 304 D C 0.587 176.941 176.300 0.091 0.000 1.108 304 D CA 0.066 54.144 54.000 0.130 0.000 0.894 304 D CB 1.737 42.607 40.800 0.116 0.000 1.203 304 D HN -0.077 nan 8.370 nan 0.000 0.430 305 V N 2.524 122.494 119.914 0.094 0.000 3.406 305 V HA -0.001 4.123 4.120 0.006 0.000 0.263 305 V C 1.152 177.309 176.094 0.105 0.000 1.172 305 V CA 0.542 62.896 62.300 0.091 0.000 1.140 305 V CB -0.502 31.378 31.823 0.095 0.000 0.784 305 V HN 0.495 nan 8.190 nan 0.000 0.467 306 N N 0.354 119.117 118.700 0.105 0.000 2.398 306 N HA 0.018 4.761 4.740 0.006 0.000 0.188 306 N C 0.278 175.874 175.510 0.143 0.000 1.122 306 N CA 0.322 53.446 53.050 0.123 0.000 0.866 306 N CB 0.001 38.547 38.487 0.099 0.000 0.970 306 N HN 0.495 nan 8.380 nan 0.000 0.462 307 D N 0.447 120.903 120.400 0.093 0.000 2.485 307 D HA 0.041 4.685 4.640 0.006 0.000 0.229 307 D C 1.110 177.404 176.300 -0.009 0.000 1.101 307 D CA -0.755 53.247 54.000 0.004 0.000 0.906 307 D CB 0.182 40.954 40.800 -0.046 0.000 1.019 307 D HN 0.198 nan 8.370 nan 0.000 0.516 308 W N 2.898 124.198 121.300 0.001 0.000 2.436 308 W HA -0.056 4.607 4.660 0.006 0.000 0.284 308 W C 1.305 177.817 176.519 -0.012 0.000 1.225 308 W CA 0.060 57.402 57.345 -0.005 0.000 1.271 308 W CB -0.562 28.896 29.460 -0.004 0.000 1.114 308 W HN 0.393 nan 8.180 nan 0.000 0.559 309 Q N 0.919 120.149 119.800 -0.951 0.000 2.077 309 Q HA -0.280 4.063 4.340 0.006 0.000 0.206 309 Q C 2.415 178.206 176.000 -0.348 0.000 0.989 309 Q CA 2.783 58.036 55.803 -0.918 0.000 0.853 309 Q CB -0.317 27.851 28.738 -0.949 0.000 0.907 309 Q HN 0.168 nan 8.270 nan 0.000 0.418 310 M N 0.089 119.536 119.600 -0.255 0.000 2.065 310 M HA -0.199 4.285 4.480 0.006 0.000 0.259 310 M C 1.806 178.059 176.300 -0.078 0.000 1.069 310 M CA 1.641 56.853 55.300 -0.147 0.000 1.110 310 M CB -0.260 32.265 32.600 -0.125 0.000 1.328 310 M HN 0.259 nan 8.290 nan 0.000 0.405 311 L N -0.789 120.418 121.223 -0.028 0.000 2.079 311 L HA -0.230 4.114 4.340 0.006 0.000 0.210 311 L C 2.380 179.275 176.870 0.041 0.000 1.081 311 L CA 1.413 56.266 54.840 0.022 0.000 0.752 311 L CB -0.974 41.129 42.059 0.074 0.000 0.896 311 L HN 0.307 nan 8.230 nan 0.000 0.433 312 E N 0.148 120.390 120.200 0.070 0.000 2.031 312 E HA -0.223 4.131 4.350 0.006 0.000 0.193 312 E C 2.270 178.887 176.600 0.029 0.000 0.994 312 E CA 1.406 57.863 56.400 0.096 0.000 0.800 312 E CB -0.113 29.688 29.700 0.167 0.000 0.752 312 E HN 0.196 nan 8.360 nan 0.000 0.447 313 M N -0.376 119.212 119.600 -0.020 0.000 2.108 313 M HA -0.199 4.285 4.480 0.006 0.000 0.257 313 M C 2.071 178.364 176.300 -0.012 0.000 1.071 313 M CA 1.424 56.705 55.300 -0.032 0.000 1.093 313 M CB -0.789 31.770 32.600 -0.068 0.000 1.345 313 M HN 0.174 nan 8.290 nan 0.000 0.403 314 L N -1.234 119.984 121.223 -0.009 0.000 2.592 314 L HA -0.029 4.315 4.340 0.006 0.000 0.227 314 L C 2.200 179.074 176.870 0.006 0.000 1.127 314 L CA 0.025 54.864 54.840 -0.001 0.000 0.884 314 L CB -0.345 41.708 42.059 -0.009 0.000 1.065 314 L HN 0.224 nan 8.230 nan 0.000 0.457 315 K N 1.031 121.437 120.400 0.010 0.000 2.052 315 K HA -0.194 4.130 4.320 0.006 0.000 0.215 315 K C -0.598 176.005 176.600 0.006 0.000 1.053 315 K CA 1.943 58.235 56.287 0.008 0.000 0.934 315 K CB -0.893 31.615 32.500 0.014 0.000 0.717 315 K HN 0.279 nan 8.250 nan 0.000 0.450 316 P HA 0.048 nan 4.420 nan 0.000 0.245 316 P C 0.814 178.126 177.300 0.020 0.000 1.206 316 P CA 0.661 63.770 63.100 0.015 0.000 0.781 316 P CB -0.060 31.649 31.700 0.016 0.000 0.994 317 C N -0.429 118.883 119.300 0.020 0.000 2.432 317 C HA -0.072 4.391 4.460 0.006 0.000 0.277 317 C C 2.857 177.865 174.990 0.030 0.000 1.249 317 C CA 0.507 59.539 59.018 0.023 0.000 1.725 317 C CB -1.634 26.126 27.740 0.033 0.000 2.028 317 C HN 0.115 nan 8.230 nan 0.000 0.477 318 V N 1.252 121.186 119.914 0.033 0.000 2.358 318 V HA -0.196 3.928 4.120 0.006 0.000 0.246 318 V C 2.298 178.452 176.094 0.100 0.000 1.047 318 V CA 1.991 64.320 62.300 0.049 0.000 1.035 318 V CB -0.887 30.949 31.823 0.022 0.000 0.658 318 V HN 0.579 nan 8.190 nan 0.000 0.452 319 E N 0.042 120.287 120.200 0.075 0.000 2.347 319 E HA -0.211 4.142 4.350 0.006 0.000 0.196 319 E C 1.799 178.524 176.600 0.209 0.000 1.008 319 E CA 1.114 57.591 56.400 0.129 0.000 0.852 319 E CB -0.109 29.604 29.700 0.022 0.000 0.783 319 E HN 0.719 nan 8.360 nan 0.000 0.505 320 D N -0.647 119.813 120.400 0.099 0.000 2.277 320 D HA -0.050 4.594 4.640 0.006 0.000 0.208 320 D C 1.780 178.080 176.300 -0.001 0.000 0.962 320 D CA 1.176 55.199 54.000 0.037 0.000 0.865 320 D CB 0.111 40.904 40.800 -0.012 0.000 0.939 320 D HN 0.147 nan 8.370 nan 0.000 0.510 321 G N -0.583 108.243 108.800 0.043 0.000 2.850 321 G HA2 -0.042 3.922 3.960 0.006 0.000 0.211 321 G HA3 -0.042 3.922 3.960 0.006 0.000 0.211 321 G C 1.119 176.025 174.900 0.010 0.000 1.124 321 G CA 0.092 45.181 45.100 -0.017 0.000 0.769 321 G HN 0.415 nan 8.290 nan 0.000 0.535 322 F N 1.728 121.648 119.950 -0.050 0.000 2.529 322 F HA 0.003 4.534 4.527 0.006 0.000 0.297 322 F C 1.589 177.365 175.800 -0.040 0.000 1.114 322 F CA 0.471 58.448 58.000 -0.038 0.000 1.467 322 F CB -0.229 38.755 39.000 -0.027 0.000 1.096 322 F HN -0.035 nan 8.300 nan 0.000 0.586 323 V N 0.969 120.514 119.914 -0.616 0.000 2.970 323 V HA -0.016 4.107 4.120 0.006 0.000 0.260 323 V C 0.970 176.883 176.094 -0.302 0.000 1.100 323 V CA 0.754 62.706 62.300 -0.580 0.000 1.122 323 V CB -0.870 30.701 31.823 -0.420 0.000 0.721 323 V HN 0.321 nan 8.190 nan 0.000 0.483 324 I N 0.332 120.774 120.570 -0.213 0.000 2.465 324 I HA 0.496 4.670 4.170 0.006 0.000 0.291 324 I C -0.461 175.611 176.117 -0.075 0.000 1.014 324 I CA -0.227 60.992 61.300 -0.135 0.000 1.093 324 I CB 2.043 39.948 38.000 -0.159 0.000 1.267 324 I HN 0.111 nan 8.210 nan 0.000 0.431 325 Q N 3.849 123.622 119.800 -0.045 0.000 2.456 325 Q HA 0.415 4.759 4.340 0.006 0.000 0.283 325 Q C -0.862 175.136 176.000 -0.003 0.000 1.084 325 Q CA -0.583 55.212 55.803 -0.013 0.000 0.801 325 Q CB 2.480 31.216 28.738 -0.003 0.000 1.434 325 Q HN 0.710 nan 8.270 nan 0.000 0.419 326 D N 0.056 120.460 120.400 0.008 0.000 3.935 326 D HA -0.261 4.383 4.640 0.006 0.000 0.149 326 D C 0.887 177.194 176.300 0.011 0.000 0.932 326 D CA 1.734 55.741 54.000 0.011 0.000 1.083 326 D CB -0.580 40.226 40.800 0.010 0.000 0.549 326 D HN 0.521 nan 8.370 nan 0.000 0.577 327 R N 1.866 122.373 120.500 0.011 0.000 2.056 327 R HA 0.156 4.500 4.340 0.006 0.000 0.220 327 R C -0.266 176.042 176.300 0.014 0.000 1.187 327 R CA 1.981 58.089 56.100 0.012 0.000 0.932 327 R CB -0.451 29.856 30.300 0.013 0.000 0.821 327 R HN 0.588 nan 8.270 nan 0.000 0.449 328 E N 0.331 120.542 120.200 0.018 0.000 2.613 328 E HA -0.135 4.218 4.350 0.006 0.000 0.161 328 E C -1.043 175.564 176.600 0.011 0.000 1.664 328 E CA 0.832 57.242 56.400 0.017 0.000 0.661 328 E CB -1.194 28.515 29.700 0.015 0.000 1.098 328 E HN 0.661 nan 8.360 nan 0.000 0.364 329 T N -1.711 112.849 114.554 0.010 0.000 3.278 329 T HA 0.608 4.962 4.350 0.006 0.000 0.246 329 T C 0.760 175.482 174.700 0.036 0.000 1.281 329 T CA -0.068 62.048 62.100 0.027 0.000 1.281 329 T CB 1.179 70.065 68.868 0.030 0.000 1.064 329 T HN 0.354 nan 8.240 nan 0.000 0.628 330 A N 1.191 124.028 122.820 0.028 0.000 1.993 330 A HA 0.437 4.761 4.320 0.006 0.000 0.207 330 A C 1.715 179.329 177.584 0.050 0.000 1.224 330 A CA 0.091 52.141 52.037 0.023 0.000 0.749 330 A CB -0.215 18.785 19.000 -0.000 0.000 0.884 330 A HN 0.536 nan 8.150 nan 0.000 0.467 331 L N -0.118 121.128 121.223 0.038 0.000 2.341 331 L HA 0.036 4.380 4.340 0.006 0.000 0.214 331 L C 1.832 178.740 176.870 0.063 0.000 1.115 331 L CA 1.310 56.172 54.840 0.036 0.000 0.820 331 L CB -0.245 41.822 42.059 0.014 0.000 0.944 331 L HN 0.365 nan 8.230 nan 0.000 0.452 332 D N -0.319 120.125 120.400 0.074 0.000 2.178 332 D HA -0.269 4.375 4.640 0.006 0.000 0.201 332 D C 2.025 178.382 176.300 0.095 0.000 0.980 332 D CA 0.854 54.897 54.000 0.072 0.000 0.842 332 D CB -0.023 40.815 40.800 0.063 0.000 0.948 332 D HN 0.243 nan 8.370 nan 0.000 0.472 333 F N 0.552 120.494 119.950 -0.014 0.000 2.333 333 F HA 0.088 4.619 4.527 0.006 0.000 0.300 333 F C 0.300 176.095 175.800 -0.007 0.000 1.083 333 F CA 0.721 58.712 58.000 -0.016 0.000 1.395 333 F CB 0.056 39.041 39.000 -0.026 0.000 1.056 333 F HN -0.124 nan 8.300 nan 0.000 0.529 334 I N 0.267 120.820 120.570 -0.027 0.000 2.359 334 I HA 0.565 4.738 4.170 0.006 0.000 0.294 334 I C 0.552 176.647 176.117 -0.037 0.000 0.987 334 I CA -0.252 61.000 61.300 -0.080 0.000 1.225 334 I CB 1.136 39.140 38.000 0.006 0.000 1.366 334 I HN 0.013 nan 8.210 nan 0.000 0.466 346 E N 1.232 121.436 120.200 0.007 0.000 2.415 346 E HA 0.061 4.414 4.350 0.006 0.000 0.197 346 E C 1.191 177.803 176.600 0.020 0.000 1.007 346 E CA 0.411 56.820 56.400 0.015 0.000 0.890 346 E CB 0.250 29.959 29.700 0.014 0.000 0.891 346 E HN -0.017 nan 8.360 nan 0.000 0.496 347 K N 1.189 121.593 120.400 0.007 0.000 2.147 347 K HA -0.089 4.235 4.320 0.006 0.000 0.205 347 K C 2.096 178.706 176.600 0.016 0.000 1.049 347 K CA 1.653 57.940 56.287 -0.000 0.000 0.936 347 K CB -0.126 32.356 32.500 -0.031 0.000 0.722 347 K HN 0.285 nan 8.250 nan 0.000 0.446 348 R N 0.192 120.703 120.500 0.019 0.000 2.189 348 R HA 0.023 4.366 4.340 0.006 0.000 0.218 348 R C 0.247 176.595 176.300 0.081 0.000 1.074 348 R CA 0.819 56.944 56.100 0.042 0.000 0.991 348 R CB -0.308 30.000 30.300 0.015 0.000 0.883 348 R HN 0.049 nan 8.270 nan 0.000 0.457 349 I N 1.600 122.210 120.570 0.067 0.000 2.517 349 I HA 0.150 4.323 4.170 0.006 0.000 0.289 349 I C 0.750 176.919 176.117 0.085 0.000 1.149 349 I CA -0.043 61.297 61.300 0.068 0.000 1.189 349 I CB 1.210 39.236 38.000 0.043 0.000 1.641 349 I HN 0.035 nan 8.210 nan 0.000 0.560 350 Q N 1.377 121.266 119.800 0.148 0.000 2.606 350 Q HA 0.146 4.490 4.340 0.006 0.000 0.215 350 Q C 0.329 176.434 176.000 0.175 0.000 0.908 350 Q CA 0.646 56.551 55.803 0.170 0.000 0.908 350 Q CB 0.229 29.076 28.738 0.182 0.000 1.120 350 Q HN 0.377 nan 8.270 nan 0.000 0.628 351 Y N -1.782 118.535 120.300 0.029 0.000 4.272 351 Y HA -0.315 4.238 4.550 0.006 0.000 0.232 351 Y C 0.287 176.194 175.900 0.012 0.000 1.149 351 Y CA 0.605 58.724 58.100 0.031 0.000 1.961 351 Y CB -1.467 37.017 38.460 0.040 0.000 1.611 351 Y HN 0.313 nan 8.280 nan 0.000 0.682 352 A N -1.036 121.809 122.820 0.041 0.000 1.749 352 A HA 0.215 4.539 4.320 0.006 0.000 0.187 352 A C 1.618 179.177 177.584 -0.041 0.000 1.742 352 A CA 0.328 52.368 52.037 0.004 0.000 1.133 352 A CB 0.042 19.059 19.000 0.030 0.000 0.996 352 A HN 0.130 nan 8.150 nan 0.000 0.585 353 K N 0.331 120.720 120.400 -0.020 0.000 2.148 353 K HA -0.109 4.215 4.320 0.006 0.000 0.204 353 K C 1.095 177.675 176.600 -0.034 0.000 1.050 353 K CA 1.451 57.724 56.287 -0.023 0.000 0.942 353 K CB -0.147 32.352 32.500 -0.001 0.000 0.724 353 K HN 0.383 nan 8.250 nan 0.000 0.446 354 D N 0.985 121.358 120.400 -0.044 0.000 2.123 354 D HA -0.144 4.499 4.640 0.006 0.000 0.196 354 D C 1.745 177.975 176.300 -0.117 0.000 0.992 354 D CA 1.139 55.101 54.000 -0.064 0.000 0.833 354 D CB -0.088 40.675 40.800 -0.062 0.000 0.954 354 D HN 0.228 nan 8.370 nan 0.000 0.455 355 I N -0.138 120.314 120.570 -0.197 0.000 2.617 355 I HA -0.101 4.073 4.170 0.006 0.000 0.256 355 I C 1.980 178.022 176.117 -0.125 0.000 1.167 355 I CA 0.420 61.577 61.300 -0.239 0.000 1.469 355 I CB -0.019 37.752 38.000 -0.382 0.000 1.098 355 I HN -0.088 nan 8.210 nan 0.000 0.436 356 L N 0.095 121.265 121.223 -0.088 0.000 2.599 356 L HA 0.008 4.352 4.340 0.006 0.000 0.230 356 L C 1.451 178.362 176.870 0.070 0.000 1.141 356 L CA 0.790 55.610 54.840 -0.034 0.000 0.877 356 L CB -0.102 41.889 42.059 -0.113 0.000 1.009 356 L HN 0.325 nan 8.230 nan 0.000 0.447 357 Q N -1.778 118.042 119.800 0.033 0.000 2.073 357 Q HA 0.106 4.449 4.340 0.006 0.000 0.215 357 Q C 1.259 177.269 176.000 0.017 0.000 0.776 357 Q CA -0.090 55.740 55.803 0.045 0.000 1.008 357 Q CB 0.967 29.734 28.738 0.049 0.000 1.196 357 Q HN 0.196 nan 8.270 nan 0.000 0.458 358 K N -0.209 120.192 120.400 0.001 0.000 2.344 358 K HA 0.088 4.412 4.320 0.006 0.000 0.200 358 K C 1.132 177.732 176.600 0.000 0.000 1.132 358 K CA 0.587 56.873 56.287 -0.003 0.000 0.935 358 K CB 0.829 33.322 32.500 -0.011 0.000 1.089 358 K HN -0.022 nan 8.250 nan 0.000 0.496 359 E N -0.259 119.939 120.200 -0.004 0.000 2.332 359 E HA 0.026 4.380 4.350 0.006 0.000 0.202 359 E C -0.006 176.607 176.600 0.021 0.000 0.877 359 E CA -0.123 56.276 56.400 -0.002 0.000 0.979 359 E CB 0.078 29.739 29.700 -0.065 0.000 0.969 359 E HN 0.040 nan 8.360 nan 0.000 0.495 360 F N 3.479 123.368 119.950 -0.102 0.000 2.502 360 F HA 0.173 4.703 4.527 0.006 0.000 0.371 360 F C 0.267 176.012 175.800 -0.091 0.000 1.083 360 F CA -0.779 57.170 58.000 -0.086 0.000 1.174 360 F CB 0.245 39.186 39.000 -0.099 0.000 1.096 360 F HN -0.146 nan 8.300 nan 0.000 0.545 361 L N 8.113 128.913 121.223 -0.706 0.000 3.844 361 L HA -0.223 4.121 4.340 0.006 0.000 0.580 361 L C -1.783 174.810 176.870 -0.461 0.000 1.156 361 L CA 0.045 54.470 54.840 -0.692 0.000 0.848 361 L CB -1.407 39.935 42.059 -1.194 0.000 1.283 361 L HN 0.566 nan 8.230 nan 0.000 0.803 362 P HA -0.128 nan 4.420 nan 0.000 0.216 362 P C 0.794 178.014 177.300 -0.133 0.000 1.150 362 P CA 1.546 64.579 63.100 -0.111 0.000 0.837 362 P CB -0.065 31.621 31.700 -0.023 0.000 0.786 363 H N -0.777 118.166 119.070 -0.212 0.000 2.703 363 H HA 0.089 4.648 4.556 0.006 0.000 0.377 363 H C 1.381 176.510 175.328 -0.332 0.000 1.392 363 H CA -0.018 55.893 56.048 -0.228 0.000 1.458 363 H CB 0.165 29.802 29.762 -0.208 0.000 1.529 363 H HN -0.119 nan 8.280 nan 0.000 0.619 364 I N -2.076 118.173 120.570 -0.536 0.000 4.653 364 I HA -0.363 3.811 4.170 0.006 0.000 0.046 364 I C 0.784 176.602 176.117 -0.499 0.000 0.625 364 I CA 2.033 62.975 61.300 -0.596 0.000 0.818 364 I CB -1.896 35.651 38.000 -0.754 0.000 0.750 364 I HN 0.948 nan 8.210 nan 0.000 0.157 365 T N -1.179 113.128 114.554 -0.412 0.000 2.672 365 T HA 0.355 4.709 4.350 0.006 0.000 0.302 365 T C -0.929 173.672 174.700 -0.164 0.000 1.863 365 T CA 0.140 62.052 62.100 -0.314 0.000 0.979 365 T CB 1.174 69.717 68.868 -0.542 0.000 1.905 365 T HN 0.349 nan 8.240 nan 0.000 0.507 366 Q N 0.590 120.347 119.800 -0.072 0.000 2.103 366 Q HA 0.398 4.742 4.340 0.006 0.000 0.219 366 Q C 0.175 176.203 176.000 0.047 0.000 0.784 366 Q CA -0.171 55.626 55.803 -0.010 0.000 1.014 366 Q CB 0.796 29.528 28.738 -0.011 0.000 1.183 366 Q HN 0.467 nan 8.270 nan 0.000 0.469 367 L N 0.583 121.866 121.223 0.101 0.000 2.540 367 L HA 0.074 4.418 4.340 0.006 0.000 0.215 367 L C 1.846 178.810 176.870 0.157 0.000 1.204 367 L CA 0.372 55.303 54.840 0.152 0.000 0.841 367 L CB 0.279 42.480 42.059 0.236 0.000 1.420 367 L HN 0.100 nan 8.230 nan 0.000 0.519 368 E N 0.141 120.409 120.200 0.112 0.000 2.033 368 E HA -0.086 4.268 4.350 0.006 0.000 0.189 368 E C 1.086 177.707 176.600 0.036 0.000 0.979 368 E CA 0.842 57.279 56.400 0.061 0.000 0.802 368 E CB -0.065 29.650 29.700 0.025 0.000 0.763 368 E HN 0.758 nan 8.360 nan 0.000 0.449 369 G N 0.425 109.195 108.800 -0.050 0.000 3.741 369 G HA2 0.271 4.234 3.960 0.006 0.000 0.263 369 G HA3 0.271 4.234 3.960 0.006 0.000 0.263 369 G C -0.816 173.726 174.900 -0.596 0.000 1.175 369 G CA -0.331 44.605 45.100 -0.273 0.000 1.642 369 G HN 0.039 nan 8.290 nan 0.000 0.644 370 F N -0.366 119.595 119.950 0.019 0.000 2.902 370 F HA 0.363 4.894 4.527 0.006 0.000 0.368 370 F C 0.564 176.389 175.800 0.042 0.000 1.202 370 F CA -0.751 57.264 58.000 0.024 0.000 1.109 370 F CB 2.100 41.100 39.000 0.000 0.000 1.418 370 F HN 0.147 nan 8.300 nan 0.000 0.527 371 E N 0.347 120.652 120.200 0.175 0.000 2.182 371 E HA -0.035 4.319 4.350 0.006 0.000 0.195 371 E C 1.856 178.575 176.600 0.198 0.000 0.933 371 E CA 0.819 57.308 56.400 0.149 0.000 0.940 371 E CB 0.067 29.821 29.700 0.090 0.000 0.945 371 E HN 0.397 nan 8.360 nan 0.000 0.477 372 S N 0.734 116.575 115.700 0.235 0.000 2.607 372 S HA 0.099 4.572 4.470 0.006 0.000 0.224 372 S C 1.633 176.504 174.600 0.451 0.000 0.969 372 S CA 0.108 58.530 58.200 0.371 0.000 0.927 372 S CB 0.066 63.541 63.200 0.458 0.000 0.772 372 S HN -0.004 nan 8.310 nan 0.000 0.533 373 R N 1.228 121.926 120.500 0.331 0.000 2.173 373 R HA 0.220 4.564 4.340 0.006 0.000 0.208 373 R C 1.692 178.120 176.300 0.213 0.000 1.035 373 R CA 0.758 57.000 56.100 0.237 0.000 1.004 373 R CB -0.041 30.402 30.300 0.238 0.000 0.917 373 R HN 0.492 nan 8.270 nan 0.000 0.462 374 K N -0.438 120.104 120.400 0.237 0.000 2.202 374 K HA 0.153 4.476 4.320 0.006 0.000 0.201 374 K C 2.039 178.875 176.600 0.394 0.000 1.051 374 K CA 0.724 57.163 56.287 0.254 0.000 0.977 374 K CB 0.108 32.791 32.500 0.305 0.000 0.792 374 K HN -0.005 nan 8.250 nan 0.000 0.469 375 A N 1.264 124.263 122.820 0.297 0.000 1.858 375 A HA -0.154 4.169 4.320 0.006 0.000 0.216 375 A C 1.928 179.728 177.584 0.359 0.000 1.190 375 A CA 1.329 53.476 52.037 0.183 0.000 0.617 375 A CB -0.905 18.049 19.000 -0.077 0.000 0.827 375 A HN 0.197 nan 8.150 nan 0.000 0.443 376 F N -1.623 118.575 119.950 0.413 0.000 2.192 376 F HA -0.179 4.352 4.527 0.006 0.000 0.301 376 F C 2.006 178.263 175.800 0.761 0.000 1.079 376 F CA 1.714 60.034 58.000 0.534 0.000 1.303 376 F CB -0.401 38.657 39.000 0.097 0.000 1.024 376 F HN 0.331 nan 8.300 nan 0.000 0.494 377 F N -0.065 120.302 119.950 0.695 0.000 2.051 377 F HA -0.220 4.310 4.527 0.006 0.000 0.296 377 F C 2.294 178.405 175.800 0.518 0.000 1.122 377 F CA 1.206 59.578 58.000 0.620 0.000 1.201 377 F CB -0.722 38.466 39.000 0.314 0.000 0.978 377 F HN -0.128 nan 8.300 nan 0.000 0.472 378 L N 0.622 122.219 121.223 0.623 0.000 2.197 378 L HA -0.132 4.212 4.340 0.006 0.000 0.215 378 L C 2.059 179.174 176.870 0.409 0.000 1.095 378 L CA 2.081 57.176 54.840 0.425 0.000 0.764 378 L CB -1.503 40.688 42.059 0.220 0.000 0.897 378 L HN 0.215 nan 8.230 nan 0.000 0.436 379 G N -3.111 106.017 108.800 0.548 0.000 3.088 379 G HA2 -0.166 3.797 3.960 0.006 0.000 0.212 379 G HA3 -0.166 3.797 3.960 0.006 0.000 0.212 379 G C 0.957 176.148 174.900 0.485 0.000 1.173 379 G CA 0.441 45.858 45.100 0.529 0.000 0.779 379 G HN 0.555 nan 8.290 nan 0.000 0.540 380 Y N -1.099 119.360 120.300 0.264 0.000 2.448 380 Y HA 0.442 4.995 4.550 0.006 0.000 0.257 380 Y C 2.068 177.935 175.900 -0.056 0.000 1.089 380 Y CA -0.232 57.904 58.100 0.059 0.000 1.245 380 Y CB 0.490 38.887 38.460 -0.105 0.000 1.282 380 Y HN 0.101 nan 8.280 nan 0.000 0.529 381 M N -0.290 119.329 119.600 0.031 0.000 2.492 381 M HA -0.053 4.431 4.480 0.006 0.000 0.262 381 M C 0.648 176.943 176.300 -0.008 0.000 1.090 381 M CA 1.149 56.453 55.300 0.006 0.000 1.110 381 M CB 0.195 32.895 32.600 0.165 0.000 1.407 381 M HN 0.276 nan 8.290 nan 0.000 0.470 382 I N -0.919 119.663 120.570 0.021 0.000 3.039 382 I HA -0.077 4.097 4.170 0.006 0.000 0.270 382 I C 1.870 177.936 176.117 -0.085 0.000 1.150 382 I CA 0.768 62.073 61.300 0.009 0.000 1.448 382 I CB -1.658 36.399 38.000 0.096 0.000 1.197 382 I HN 0.310 nan 8.210 nan 0.000 0.450 383 N N 1.593 120.211 118.700 -0.137 0.000 2.132 383 N HA -0.233 4.511 4.740 0.006 0.000 0.191 383 N C 1.923 177.276 175.510 -0.262 0.000 1.015 383 N CA 1.558 54.473 53.050 -0.225 0.000 0.864 383 N CB 0.141 38.454 38.487 -0.290 0.000 1.006 383 N HN 0.071 nan 8.380 nan 0.000 0.430 384 R N 0.199 120.488 120.500 -0.353 0.000 2.093 384 R HA 0.033 4.376 4.340 0.006 0.000 0.224 384 R C 2.229 178.422 176.300 -0.178 0.000 1.101 384 R CA 0.438 56.339 56.100 -0.331 0.000 0.979 384 R CB -1.212 28.810 30.300 -0.464 0.000 0.877 384 R HN 0.380 nan 8.270 nan 0.000 0.441 385 L N 0.918 122.068 121.223 -0.122 0.000 2.081 385 L HA -0.148 4.196 4.340 0.006 0.000 0.212 385 L C 1.817 178.635 176.870 -0.088 0.000 1.080 385 L CA 1.388 56.196 54.840 -0.053 0.000 0.754 385 L CB -0.040 42.016 42.059 -0.005 0.000 0.893 385 L HN 0.118 nan 8.230 nan 0.000 0.433 386 L N -1.667 119.486 121.223 -0.117 0.000 2.513 386 L HA -0.046 4.297 4.340 0.006 0.000 0.222 386 L C 1.948 178.735 176.870 -0.138 0.000 1.096 386 L CA -0.354 54.403 54.840 -0.139 0.000 0.857 386 L CB -0.181 41.802 42.059 -0.127 0.000 1.026 386 L HN 0.195 nan 8.230 nan 0.000 0.469 387 L N -0.456 120.688 121.223 -0.132 0.000 2.549 387 L HA -0.150 4.194 4.340 0.006 0.000 0.229 387 L C 1.373 178.189 176.870 -0.090 0.000 1.158 387 L CA 1.236 56.006 54.840 -0.116 0.000 0.842 387 L CB -0.451 41.533 42.059 -0.125 0.000 0.952 387 L HN 0.413 nan 8.230 nan 0.000 0.452 388 C N -1.433 117.819 119.300 -0.080 0.000 3.101 388 C HA 0.535 4.999 4.460 0.006 0.000 0.253 388 C C 1.673 176.650 174.990 -0.022 0.000 1.754 388 C CA 0.132 59.137 59.018 -0.022 0.000 1.756 388 C CB -0.315 27.432 27.740 0.012 0.000 3.227 388 C HN 0.445 nan 8.230 nan 0.000 0.483 389 A N -0.281 122.428 122.820 -0.185 0.000 2.382 389 A HA 0.435 4.759 4.320 0.006 0.000 0.228 389 A C 1.359 178.850 177.584 -0.155 0.000 1.217 389 A CA 0.367 52.208 52.037 -0.327 0.000 0.923 389 A CB 0.044 18.738 19.000 -0.510 0.000 0.979 389 A HN 0.536 nan 8.150 nan 0.000 0.515 390 L N -0.662 120.490 121.223 -0.118 0.000 2.433 390 L HA 0.150 4.493 4.340 0.006 0.000 0.200 390 L C -0.451 176.378 176.870 -0.067 0.000 1.059 390 L CA 0.254 55.032 54.840 -0.103 0.000 0.835 390 L CB -0.366 41.612 42.059 -0.135 0.000 1.076 390 L HN 0.418 nan 8.230 nan 0.000 0.481 391 D N 2.576 122.941 120.400 -0.057 0.000 3.845 391 D HA -0.216 4.428 4.640 0.006 0.000 0.227 391 D C 0.273 176.551 176.300 -0.036 0.000 1.092 391 D CA 0.427 54.405 54.000 -0.036 0.000 1.148 391 D CB -0.316 40.478 40.800 -0.010 0.000 0.803 391 D HN 0.331 nan 8.370 nan 0.000 0.395 392 R N -0.567 119.909 120.500 -0.040 0.000 4.010 392 R HA -0.249 4.095 4.340 0.006 0.000 0.264 392 R C 0.219 176.496 176.300 -0.038 0.000 0.283 392 R CA 1.233 57.305 56.100 -0.046 0.000 0.943 392 R CB -1.304 28.957 30.300 -0.065 0.000 0.975 392 R HN 0.499 nan 8.270 nan 0.000 0.569 393 K N 2.457 122.832 120.400 -0.043 0.000 2.207 393 K HA 0.329 4.653 4.320 0.006 0.000 0.255 393 K C -0.934 175.646 176.600 -0.034 0.000 0.941 393 K CA -0.333 55.929 56.287 -0.041 0.000 0.825 393 K CB 1.023 33.490 32.500 -0.055 0.000 1.119 393 K HN 0.263 nan 8.250 nan 0.000 0.430 394 D N 0.612 120.994 120.400 -0.031 0.000 2.369 394 D HA 0.011 4.654 4.640 0.006 0.000 0.241 394 D C 0.230 176.503 176.300 -0.045 0.000 1.271 394 D CA -0.160 53.824 54.000 -0.027 0.000 0.942 394 D CB 0.408 41.196 40.800 -0.020 0.000 1.129 394 D HN 0.299 nan 8.370 nan 0.000 0.476 395 Q N -0.252 119.518 119.800 -0.050 0.000 2.471 395 Q HA 0.042 4.385 4.340 0.006 0.000 0.223 395 Q C -0.764 175.153 176.000 -0.138 0.000 1.045 395 Q CA -0.231 55.515 55.803 -0.095 0.000 0.956 395 Q CB 0.596 29.283 28.738 -0.085 0.000 1.249 395 Q HN 0.356 nan 8.270 nan 0.000 0.549 396 D N 1.829 122.074 120.400 -0.259 0.000 2.380 396 D HA 0.099 4.743 4.640 0.006 0.000 0.230 396 D C -1.088 175.062 176.300 -0.251 0.000 1.154 396 D CA -0.115 53.714 54.000 -0.284 0.000 0.859 396 D CB 0.654 41.213 40.800 -0.402 0.000 1.045 396 D HN 0.392 nan 8.370 nan 0.000 0.495 397 D N 1.126 121.467 120.400 -0.098 0.000 2.472 397 D HA -0.012 4.632 4.640 0.006 0.000 0.237 397 D C 1.158 177.438 176.300 -0.033 0.000 1.141 397 D CA 0.375 54.354 54.000 -0.035 0.000 0.875 397 D CB 0.784 41.606 40.800 0.038 0.000 1.192 397 D HN 0.247 nan 8.370 nan 0.000 0.450 398 R N 1.604 122.102 120.500 -0.004 0.000 2.290 398 R HA 0.124 4.468 4.340 0.006 0.000 0.197 398 R C 0.083 176.384 176.300 0.001 0.000 0.913 398 R CA 0.238 56.364 56.100 0.043 0.000 1.040 398 R CB 0.574 30.948 30.300 0.124 0.000 0.992 398 R HN 0.378 nan 8.270 nan 0.000 0.500 399 D N 0.025 120.370 120.400 -0.092 0.000 2.463 399 D HA -0.003 4.641 4.640 0.006 0.000 0.224 399 D C -0.384 175.729 176.300 -0.312 0.000 1.174 399 D CA 0.081 53.976 54.000 -0.175 0.000 0.829 399 D CB 0.227 40.892 40.800 -0.225 0.000 0.993 399 D HN 0.129 nan 8.370 nan 0.000 0.497 400 H N 0.680 119.613 119.070 -0.228 0.000 2.878 400 H HA -0.019 4.541 4.556 0.006 0.000 0.290 400 H C 0.544 175.882 175.328 0.017 0.000 1.065 400 H CA -0.183 55.828 56.048 -0.062 0.000 1.477 400 H CB 0.340 30.096 29.762 -0.010 0.000 1.484 400 H HN -0.043 nan 8.280 nan 0.000 0.504 401 F N 3.770 123.806 119.950 0.144 0.000 2.186 401 F HA -0.020 4.510 4.527 0.006 0.000 0.299 401 F C 2.387 178.230 175.800 0.072 0.000 1.090 401 F CA 1.587 59.594 58.000 0.010 0.000 1.307 401 F CB -0.368 38.551 39.000 -0.135 0.000 1.019 401 F HN 0.728 nan 8.300 nan 0.000 0.489 402 G N -0.494 108.478 108.800 0.287 0.000 2.501 402 G HA2 -0.246 3.717 3.960 0.006 0.000 0.220 402 G HA3 -0.246 3.717 3.960 0.006 0.000 0.220 402 G C 1.373 176.167 174.900 -0.177 0.000 1.114 402 G CA 0.501 45.620 45.100 0.033 0.000 0.757 402 G HN 0.318 nan 8.290 nan 0.000 0.559 403 K N 0.077 120.365 120.400 -0.185 0.000 2.593 403 K HA 0.238 4.562 4.320 0.006 0.000 0.208 403 K C -0.217 176.265 176.600 -0.197 0.000 1.051 403 K CA -0.004 56.149 56.287 -0.223 0.000 1.111 403 K CB 0.556 32.929 32.500 -0.212 0.000 0.849 403 K HN 0.141 nan 8.250 nan 0.000 0.479 404 K N 0.974 121.205 120.400 -0.282 0.000 2.426 404 K HA 0.434 4.758 4.320 0.006 0.000 0.251 404 K C -0.540 175.816 176.600 -0.407 0.000 0.941 404 K CA -1.020 55.069 56.287 -0.329 0.000 0.808 404 K CB 2.138 34.411 32.500 -0.378 0.000 1.265 404 K HN -0.125 nan 8.250 nan 0.000 0.432 405 R N 1.599 121.927 120.500 -0.287 0.000 2.854 405 R HA 0.544 4.887 4.340 0.006 0.000 0.271 405 R C -0.751 175.444 176.300 -0.175 0.000 0.996 405 R CA -0.933 55.030 56.100 -0.228 0.000 0.961 405 R CB 1.182 31.389 30.300 -0.156 0.000 1.182 405 R HN 0.502 nan 8.270 nan 0.000 0.479 406 L N 2.045 123.195 121.223 -0.122 0.000 2.316 406 L HA 0.293 4.637 4.340 0.006 0.000 0.280 406 L C -0.583 176.268 176.870 -0.033 0.000 1.006 406 L CA -0.753 54.046 54.840 -0.068 0.000 0.836 406 L CB 1.733 43.767 42.059 -0.040 0.000 1.221 406 L HN 0.303 nan 8.230 nan 0.000 0.418 407 D N 4.456 124.837 120.400 -0.032 0.000 2.339 407 D HA 0.298 4.942 4.640 0.006 0.000 0.256 407 D C -0.097 176.194 176.300 -0.015 0.000 1.214 407 D CA 0.053 54.044 54.000 -0.015 0.000 0.877 407 D CB 1.669 42.458 40.800 -0.018 0.000 1.111 407 D HN 0.134 nan 8.370 nan 0.000 0.478 408 L N 1.156 122.388 121.223 0.015 0.000 2.299 408 L HA 0.380 4.723 4.340 0.006 0.000 0.268 408 L C 1.892 178.799 176.870 0.062 0.000 1.012 408 L CA -0.646 54.215 54.840 0.035 0.000 0.816 408 L CB 0.760 42.854 42.059 0.058 0.000 1.355 408 L HN 0.374 nan 8.230 nan 0.000 0.457 409 A N 1.163 124.054 122.820 0.120 0.000 1.916 409 A HA -0.288 4.035 4.320 0.006 0.000 0.224 409 A C 1.894 179.521 177.584 0.072 0.000 1.366 409 A CA 2.682 54.834 52.037 0.192 0.000 0.692 409 A CB -1.533 17.704 19.000 0.394 0.000 0.841 409 A HN 0.947 nan 8.150 nan 0.000 0.480 410 G N -0.368 108.486 108.800 0.091 0.000 2.941 410 G HA2 -0.174 3.790 3.960 0.006 0.000 0.206 410 G HA3 -0.174 3.790 3.960 0.006 0.000 0.206 410 G C -0.280 174.598 174.900 -0.035 0.000 1.403 410 G CA 1.379 46.506 45.100 0.044 0.000 0.805 410 G HN 0.476 nan 8.290 nan 0.000 0.689 411 P HA -0.070 nan 4.420 nan 0.000 0.219 411 P C 2.031 179.376 177.300 0.075 0.000 1.144 411 P CA 0.720 63.860 63.100 0.068 0.000 0.806 411 P CB -0.085 31.654 31.700 0.064 0.000 0.771 412 L N -1.612 119.660 121.223 0.082 0.000 1.961 412 L HA -0.186 4.158 4.340 0.006 0.000 0.210 412 L C 2.434 179.502 176.870 0.330 0.000 1.072 412 L CA 1.559 56.550 54.840 0.253 0.000 0.749 412 L CB -1.011 41.140 42.059 0.154 0.000 0.889 412 L HN -0.067 nan 8.230 nan 0.000 0.432 413 L N -0.714 120.523 121.223 0.022 0.000 2.042 413 L HA -0.245 4.099 4.340 0.006 0.000 0.210 413 L C 2.804 179.547 176.870 -0.211 0.000 1.076 413 L CA 1.212 55.899 54.840 -0.256 0.000 0.749 413 L CB -0.867 40.688 42.059 -0.839 0.000 0.893 413 L HN 0.297 nan 8.230 nan 0.000 0.432 414 A N 0.961 123.648 122.820 -0.222 0.000 1.852 414 A HA -0.346 3.978 4.320 0.006 0.000 0.217 414 A C 2.219 179.897 177.584 0.157 0.000 1.215 414 A CA 2.342 54.483 52.037 0.173 0.000 0.641 414 A CB -1.016 18.107 19.000 0.204 0.000 0.838 414 A HN 0.629 nan 8.150 nan 0.000 0.450 415 Q N -0.866 119.000 119.800 0.110 0.000 2.439 415 Q HA -0.005 4.339 4.340 0.006 0.000 0.211 415 Q C 1.611 177.624 176.000 0.021 0.000 0.978 415 Q CA 1.651 57.508 55.803 0.090 0.000 0.897 415 Q CB -0.363 28.440 28.738 0.108 0.000 0.956 415 Q HN 0.544 nan 8.270 nan 0.000 0.483 416 L N -0.950 120.241 121.223 -0.053 0.000 2.168 416 L HA 0.167 4.511 4.340 0.006 0.000 0.203 416 L C 1.941 178.758 176.870 -0.087 0.000 1.078 416 L CA 0.913 55.614 54.840 -0.231 0.000 0.780 416 L CB -0.229 41.477 42.059 -0.590 0.000 0.939 416 L HN 0.281 nan 8.230 nan 0.000 0.451 417 F N 0.309 120.214 119.950 -0.076 0.000 2.146 417 F HA -0.220 4.311 4.527 0.006 0.000 0.298 417 F C 2.359 178.190 175.800 0.052 0.000 1.096 417 F CA 1.526 59.536 58.000 0.017 0.000 1.275 417 F CB -0.003 39.080 39.000 0.139 0.000 1.008 417 F HN -0.061 nan 8.300 nan 0.000 0.480 418 K N -0.338 120.257 120.400 0.325 0.000 2.015 418 K HA -0.228 4.096 4.320 0.006 0.000 0.216 418 K C 1.880 178.558 176.600 0.130 0.000 1.052 418 K CA 2.461 58.888 56.287 0.233 0.000 0.937 418 K CB -0.901 31.688 32.500 0.149 0.000 0.719 418 K HN 0.257 nan 8.250 nan 0.000 0.446 419 T N 2.087 116.665 114.554 0.039 0.000 2.699 419 T HA -0.170 4.183 4.350 0.006 0.000 0.268 419 T C 1.995 176.650 174.700 -0.075 0.000 1.036 419 T CA 1.348 63.429 62.100 -0.031 0.000 1.147 419 T CB -0.247 68.577 68.868 -0.074 0.000 0.862 419 T HN 0.106 nan 8.240 nan 0.000 0.446 420 L N -0.523 120.627 121.223 -0.122 0.000 2.023 420 L HA 0.076 4.420 4.340 0.006 0.000 0.205 420 L C 2.250 179.009 176.870 -0.184 0.000 1.073 420 L CA 1.061 55.769 54.840 -0.221 0.000 0.745 420 L CB -0.513 41.319 42.059 -0.378 0.000 0.900 420 L HN 0.136 nan 8.230 nan 0.000 0.435 421 F N 0.850 120.620 119.950 -0.300 0.000 2.236 421 F HA -0.233 4.297 4.527 0.006 0.000 0.302 421 F C 2.265 177.994 175.800 -0.118 0.000 1.073 421 F CA 1.550 59.441 58.000 -0.182 0.000 1.336 421 F CB -0.183 38.856 39.000 0.065 0.000 1.040 421 F HN -0.085 nan 8.300 nan 0.000 0.507 422 K N -0.509 119.825 120.400 -0.110 0.000 2.426 422 K HA -0.068 4.256 4.320 0.006 0.000 0.193 422 K C 1.785 178.286 176.600 -0.164 0.000 1.028 422 K CA 0.260 56.448 56.287 -0.164 0.000 1.047 422 K CB 0.195 32.660 32.500 -0.058 0.000 0.821 422 K HN 0.076 nan 8.250 nan 0.000 0.513 423 K N 1.627 121.931 120.400 -0.160 0.000 2.243 423 K HA -0.004 4.319 4.320 0.006 0.000 0.201 423 K C 1.855 178.367 176.600 -0.147 0.000 1.051 423 K CA 0.484 56.688 56.287 -0.139 0.000 0.970 423 K CB 0.090 32.510 32.500 -0.134 0.000 0.755 423 K HN 0.174 nan 8.250 nan 0.000 0.465 424 L N -2.032 119.069 121.223 -0.203 0.000 2.307 424 L HA 0.158 4.501 4.340 0.006 0.000 0.211 424 L C 1.965 178.714 176.870 -0.201 0.000 1.099 424 L CA 1.155 55.879 54.840 -0.194 0.000 0.816 424 L CB -0.717 41.214 42.059 -0.214 0.000 0.952 424 L HN -0.021 nan 8.230 nan 0.000 0.455 425 T N 1.056 115.429 114.554 -0.301 0.000 2.867 425 T HA -0.161 4.193 4.350 0.006 0.000 0.268 425 T C 1.729 176.391 174.700 -0.063 0.000 1.057 425 T CA 1.976 63.939 62.100 -0.228 0.000 1.136 425 T CB -0.102 68.550 68.868 -0.361 0.000 0.874 425 T HN 0.657 nan 8.240 nan 0.000 0.466 426 K N -0.206 120.147 120.400 -0.080 0.000 2.426 426 K HA 0.115 4.439 4.320 0.006 0.000 0.193 426 K C 1.558 178.181 176.600 0.038 0.000 1.028 426 K CA 0.966 57.241 56.287 -0.019 0.000 1.047 426 K CB 0.094 32.552 32.500 -0.070 0.000 0.821 426 K HN 0.183 nan 8.250 nan 0.000 0.513 427 D N 0.419 120.823 120.400 0.007 0.000 2.240 427 D HA -0.009 4.635 4.640 0.006 0.000 0.206 427 D C 1.634 177.981 176.300 0.079 0.000 0.963 427 D CA 0.458 54.478 54.000 0.033 0.000 0.863 427 D CB 0.271 41.062 40.800 -0.015 0.000 0.973 427 D HN 0.099 nan 8.370 nan 0.000 0.501 428 I N 0.354 120.962 120.570 0.064 0.000 2.202 428 I HA -0.167 4.007 4.170 0.006 0.000 0.242 428 I C 1.969 178.185 176.117 0.165 0.000 1.091 428 I CA 0.921 62.275 61.300 0.090 0.000 1.368 428 I CB -1.183 36.869 38.000 0.086 0.000 1.058 428 I HN 0.103 nan 8.210 nan 0.000 0.410 429 F N 1.575 121.536 119.950 0.019 0.000 2.126 429 F HA -0.226 4.305 4.527 0.006 0.000 0.299 429 F C 2.873 178.695 175.800 0.036 0.000 1.096 429 F CA 1.815 59.827 58.000 0.021 0.000 1.255 429 F CB -0.321 38.681 39.000 0.002 0.000 0.997 429 F HN -0.023 nan 8.300 nan 0.000 0.479 430 R N -1.483 119.140 120.500 0.204 0.000 2.092 430 R HA -0.216 4.128 4.340 0.006 0.000 0.231 430 R C 2.296 178.644 176.300 0.079 0.000 1.119 430 R CA 1.490 57.660 56.100 0.118 0.000 0.970 430 R CB -0.746 29.618 30.300 0.107 0.000 0.864 430 R HN 0.403 nan 8.270 nan 0.000 0.440 431 Y N 0.264 120.558 120.300 -0.009 0.000 2.274 431 Y HA -0.200 4.353 4.550 0.006 0.000 0.290 431 Y C 2.196 178.065 175.900 -0.052 0.000 1.145 431 Y CA 1.777 59.862 58.100 -0.025 0.000 1.203 431 Y CB 0.034 38.484 38.460 -0.017 0.000 0.984 431 Y HN 0.047 nan 8.280 nan 0.000 0.533 432 M N -0.345 119.316 119.600 0.101 0.000 2.394 432 M HA -0.204 4.280 4.480 0.006 0.000 0.264 432 M C 1.816 178.050 176.300 -0.111 0.000 1.073 432 M CA 1.504 56.794 55.300 -0.017 0.000 1.111 432 M CB 0.090 32.620 32.600 -0.117 0.000 1.401 432 M HN 0.285 nan 8.290 nan 0.000 0.448 433 Q N -0.891 118.836 119.800 -0.122 0.000 2.245 433 Q HA -0.069 4.275 4.340 0.006 0.000 0.201 433 Q C 1.877 177.815 176.000 -0.105 0.000 0.955 433 Q CA 0.896 56.627 55.803 -0.119 0.000 0.870 433 Q CB 0.063 28.750 28.738 -0.085 0.000 0.945 433 Q HN 0.491 nan 8.270 nan 0.000 0.461 434 R N -0.139 120.282 120.500 -0.133 0.000 2.119 434 R HA -0.018 4.326 4.340 0.006 0.000 0.222 434 R C 2.175 178.383 176.300 -0.153 0.000 1.088 434 R CA 1.360 57.365 56.100 -0.159 0.000 0.984 434 R CB -0.101 30.054 30.300 -0.242 0.000 0.884 434 R HN 0.206 nan 8.270 nan 0.000 0.447 435 T N 1.177 115.641 114.554 -0.150 0.000 2.555 435 T HA -0.166 4.188 4.350 0.006 0.000 0.264 435 T C 1.419 176.074 174.700 -0.075 0.000 1.083 435 T CA 2.048 64.086 62.100 -0.102 0.000 1.179 435 T CB -0.678 68.160 68.868 -0.049 0.000 0.863 435 T HN 0.306 nan 8.240 nan 0.000 0.412 436 V N -0.292 119.581 119.914 -0.069 0.000 3.153 436 V HA -0.273 3.850 4.120 0.006 0.000 0.155 436 V C -0.073 175.995 176.094 -0.043 0.000 0.506 436 V CA 1.347 63.614 62.300 -0.056 0.000 1.138 436 V CB -2.527 29.262 31.823 -0.056 0.000 1.302 436 V HN 0.626 nan 8.190 nan 0.000 1.024 447 A N 3.556 126.082 122.820 -0.490 0.000 1.699 447 A HA -0.213 4.111 4.320 0.006 0.000 0.227 447 A C 0.418 177.676 177.584 -0.543 0.000 0.493 447 A CA 1.373 52.819 52.037 -0.985 0.000 1.113 447 A CB -2.096 16.435 19.000 -0.782 0.000 1.450 447 A HN 0.968 nan 8.150 nan 0.000 0.714 448 I N 1.365 121.759 120.570 -0.293 0.000 2.587 448 I HA 0.195 4.368 4.170 0.006 0.000 0.284 448 I C 0.480 176.490 176.117 -0.179 0.000 1.134 448 I CA 0.354 61.539 61.300 -0.192 0.000 1.410 448 I CB -0.453 37.462 38.000 -0.142 0.000 1.392 448 I HN 0.512 nan 8.210 nan 0.000 0.545 449 N N 5.469 124.077 118.700 -0.154 0.000 3.188 449 N HA 0.318 5.062 4.740 0.006 0.000 0.279 449 N C 1.040 176.465 175.510 -0.143 0.000 1.213 449 N CA -0.041 52.938 53.050 -0.119 0.000 1.138 449 N CB 0.678 39.117 38.487 -0.080 0.000 1.417 449 N HN 0.670 nan 8.380 nan 0.000 0.526 450 A N 2.556 125.257 122.820 -0.199 0.000 2.032 450 A HA -0.208 4.116 4.320 0.006 0.000 0.221 450 A C 2.164 179.648 177.584 -0.168 0.000 1.165 450 A CA 1.153 53.009 52.037 -0.301 0.000 0.645 450 A CB -0.460 18.146 19.000 -0.657 0.000 0.807 450 A HN 0.562 nan 8.150 nan 0.000 0.453 451 K N -0.057 120.297 120.400 -0.077 0.000 2.113 451 K HA -0.185 4.139 4.320 0.006 0.000 0.208 451 K C 1.786 178.355 176.600 -0.052 0.000 1.047 451 K CA 2.171 58.443 56.287 -0.025 0.000 0.928 451 K CB -0.767 31.733 32.500 -0.001 0.000 0.716 451 K HN 0.501 nan 8.250 nan 0.000 0.446 452 T N 1.758 116.259 114.554 -0.088 0.000 2.665 452 T HA -0.134 4.219 4.350 0.006 0.000 0.268 452 T C 1.975 176.591 174.700 -0.139 0.000 1.035 452 T CA 1.836 63.871 62.100 -0.109 0.000 1.151 452 T CB -0.121 68.669 68.868 -0.129 0.000 0.862 452 T HN 0.279 nan 8.240 nan 0.000 0.438 453 I N 0.966 121.434 120.570 -0.170 0.000 3.030 453 I HA -0.037 4.136 4.170 0.006 0.000 0.270 453 I C 2.426 178.471 176.117 -0.120 0.000 1.211 453 I CA 0.680 61.846 61.300 -0.223 0.000 1.479 453 I CB -0.549 37.242 38.000 -0.348 0.000 1.105 453 I HN 0.241 nan 8.210 nan 0.000 0.447 454 T N 0.432 114.951 114.554 -0.058 0.000 2.737 454 T HA -0.134 4.220 4.350 0.006 0.000 0.265 454 T C 2.051 176.767 174.700 0.026 0.000 1.038 454 T CA 1.916 64.028 62.100 0.019 0.000 1.144 454 T CB -0.218 68.687 68.868 0.062 0.000 0.866 454 T HN 0.488 nan 8.240 nan 0.000 0.434 455 S N 0.808 116.513 115.700 0.010 0.000 2.486 455 S HA 0.205 4.679 4.470 0.006 0.000 0.220 455 S C 2.286 176.904 174.600 0.030 0.000 1.011 455 S CA 0.524 58.745 58.200 0.035 0.000 0.921 455 S CB -0.426 62.797 63.200 0.037 0.000 0.785 455 S HN 0.477 nan 8.310 nan 0.000 0.517 456 G N 1.456 110.230 108.800 -0.042 0.000 2.511 456 G HA2 0.180 4.144 3.960 0.006 0.000 0.217 456 G HA3 0.180 4.144 3.960 0.006 0.000 0.217 456 G C 1.332 176.166 174.900 -0.109 0.000 1.133 456 G CA 0.270 45.309 45.100 -0.101 0.000 0.792 456 G HN 0.470 nan 8.290 nan 0.000 0.539 457 L N -0.347 120.828 121.223 -0.079 0.000 2.127 457 L HA 0.101 4.445 4.340 0.006 0.000 0.203 457 L C 2.849 179.723 176.870 0.007 0.000 1.080 457 L CA 0.659 55.459 54.840 -0.068 0.000 0.768 457 L CB -0.223 41.827 42.059 -0.014 0.000 0.924 457 L HN 0.102 nan 8.230 nan 0.000 0.444 458 K N -0.265 120.168 120.400 0.055 0.000 1.969 458 K HA -0.300 4.024 4.320 0.006 0.000 0.223 458 K C 2.050 178.722 176.600 0.120 0.000 1.048 458 K CA 2.317 58.657 56.287 0.088 0.000 0.983 458 K CB -0.772 31.780 32.500 0.087 0.000 0.738 458 K HN 0.107 nan 8.250 nan 0.000 0.446 459 Y N 1.030 121.327 120.300 -0.004 0.000 2.073 459 Y HA -0.424 4.130 4.550 0.007 0.000 0.270 459 Y C 2.216 178.125 175.900 0.014 0.000 1.226 459 Y CA 2.056 60.157 58.100 0.001 0.000 1.117 459 Y CB -0.251 38.196 38.460 -0.021 0.000 0.939 459 Y HN 0.257 nan 8.280 nan 0.000 0.504 460 A N -0.474 122.526 122.820 0.301 0.000 1.854 460 A HA -0.154 4.170 4.320 0.006 0.000 0.214 460 A C 1.943 179.707 177.584 0.301 0.000 1.192 460 A CA 1.498 53.656 52.037 0.201 0.000 0.611 460 A CB -1.077 17.769 19.000 -0.258 0.000 0.832 460 A HN 0.467 nan 8.150 nan 0.000 0.442 461 L N -0.773 120.574 121.223 0.208 0.000 2.549 461 L HA 0.088 4.431 4.340 0.006 0.000 0.229 461 L C 2.138 179.129 176.870 0.201 0.000 1.158 461 L CA 1.335 56.346 54.840 0.285 0.000 0.842 461 L CB -0.415 41.713 42.059 0.115 0.000 0.952 461 L HN 0.391 nan 8.230 nan 0.000 0.452 462 A N -3.057 119.851 122.820 0.148 0.000 2.259 462 A HA 0.144 4.468 4.320 0.006 0.000 0.213 462 A C 1.894 179.493 177.584 0.025 0.000 1.209 462 A CA 0.763 52.843 52.037 0.071 0.000 0.910 462 A CB -0.110 18.906 19.000 0.028 0.000 0.946 462 A HN 0.378 nan 8.150 nan 0.000 0.497 463 T N -2.145 112.435 114.554 0.042 0.000 3.033 463 T HA 0.381 4.734 4.350 0.006 0.000 0.248 463 T C 1.589 176.335 174.700 0.077 0.000 1.040 463 T CA 0.996 63.099 62.100 0.005 0.000 1.133 463 T CB 0.199 69.044 68.868 -0.039 0.000 0.895 463 T HN 1.372 nan 8.240 nan 0.000 0.465 464 G N 2.218 111.108 108.800 0.149 0.000 2.176 464 G HA2 -0.222 3.742 3.960 0.006 0.000 0.253 464 G HA3 -0.222 3.742 3.960 0.006 0.000 0.253 464 G C -0.151 174.850 174.900 0.168 0.000 0.979 464 G CA -0.320 44.852 45.100 0.121 0.000 0.641 464 G HN 0.486 nan 8.290 nan 0.000 0.530 465 N N 0.743 119.590 118.700 0.244 0.000 2.589 465 N HA 0.227 4.971 4.740 0.006 0.000 0.232 465 N C -0.338 175.417 175.510 0.408 0.000 1.015 465 N CA -0.407 52.810 53.050 0.279 0.000 0.931 465 N CB 0.411 39.052 38.487 0.257 0.000 1.150 465 N HN 0.417 nan 8.380 nan 0.000 0.512 466 W N 2.464 123.799 121.300 0.058 0.000 2.469 466 W HA 0.336 4.999 4.660 0.006 0.000 0.321 466 W C 0.768 177.296 176.519 0.016 0.000 1.415 466 W CA 0.067 57.432 57.345 0.033 0.000 1.308 466 W CB 0.550 30.018 29.460 0.014 0.000 1.368 466 W HN 0.632 nan 8.180 nan 0.000 0.546 467 G N 2.812 111.575 108.800 -0.063 0.000 2.534 467 G HA2 -0.082 3.882 3.960 0.006 0.000 0.142 467 G HA3 -0.082 3.882 3.960 0.006 0.000 0.142 467 G C -0.427 174.325 174.900 -0.247 0.000 1.178 467 G CA 0.268 45.299 45.100 -0.115 0.000 1.037 467 G HN 0.440 nan 8.290 nan 0.000 0.474 468 E N -2.085 117.921 120.200 -0.325 0.000 3.182 468 E HA 0.052 4.405 4.350 0.006 0.000 0.283 468 E C 1.423 177.588 176.600 -0.725 0.000 1.167 468 E CA 0.878 56.959 56.400 -0.531 0.000 2.016 468 E CB -0.373 29.129 29.700 -0.330 0.000 2.094 468 E HN 0.500 nan 8.360 nan 0.000 1.000 469 Q N -0.337 119.239 119.800 -0.372 0.000 2.179 469 Q HA 0.325 4.669 4.340 0.006 0.000 0.244 469 Q C 1.152 177.081 176.000 -0.118 0.000 0.808 469 Q CA -0.152 55.504 55.803 -0.246 0.000 0.955 469 Q CB 0.958 29.598 28.738 -0.163 0.000 1.141 469 Q HN -0.035 nan 8.270 nan 0.000 0.485 470 K N 1.262 121.599 120.400 -0.105 0.000 2.273 470 K HA 0.159 4.483 4.320 0.006 0.000 0.206 470 K C 0.554 177.151 176.600 -0.004 0.000 1.072 470 K CA 0.250 56.511 56.287 -0.043 0.000 0.953 470 K CB 0.467 32.940 32.500 -0.045 0.000 1.043 470 K HN 0.011 nan 8.250 nan 0.000 0.477 471 K N 0.120 120.523 120.400 0.005 0.000 3.048 471 K HA -0.296 4.027 4.320 0.006 0.000 0.274 471 K C 0.606 177.230 176.600 0.040 0.000 1.098 471 K CA 0.445 56.762 56.287 0.051 0.000 0.807 471 K CB -0.896 31.658 32.500 0.090 0.000 1.217 471 K HN 0.334 nan 8.250 nan 0.000 0.477 472 A N 0.369 123.202 122.820 0.021 0.000 1.861 472 A HA -0.048 4.275 4.320 0.006 0.000 0.212 472 A C 1.830 179.428 177.584 0.024 0.000 1.199 472 A CA 1.228 53.276 52.037 0.018 0.000 0.613 472 A CB -0.255 18.749 19.000 0.006 0.000 0.846 472 A HN 0.360 nan 8.150 nan 0.000 0.446 473 M N 0.800 120.414 119.600 0.023 0.000 2.202 473 M HA -0.169 4.315 4.480 0.006 0.000 0.262 473 M C 1.783 178.118 176.300 0.057 0.000 1.063 473 M CA 1.520 56.841 55.300 0.035 0.000 1.097 473 M CB -0.682 31.938 32.600 0.032 0.000 1.382 473 M HN 0.868 nan 8.290 nan 0.000 0.413 474 S N -1.778 113.962 115.700 0.067 0.000 4.158 474 S HA -0.427 4.046 4.470 0.006 0.000 0.537 474 S C 1.138 175.808 174.600 0.116 0.000 1.791 474 S CA 1.549 59.801 58.200 0.086 0.000 4.169 474 S CB -1.864 61.373 63.200 0.061 0.000 0.780 474 S HN 0.610 nan 8.310 nan 0.000 0.454 475 S N 1.646 117.396 115.700 0.083 0.000 3.486 475 S HA -0.297 4.177 4.470 0.006 0.000 0.371 475 S C 1.201 175.836 174.600 0.057 0.000 1.001 475 S CA 1.405 59.643 58.200 0.062 0.000 1.164 475 S CB -1.043 62.196 63.200 0.066 0.000 0.911 475 S HN 0.756 nan 8.310 nan 0.000 0.472 476 R N 1.231 121.767 120.500 0.059 0.000 2.261 476 R HA -0.266 4.077 4.340 0.006 0.000 0.252 476 R C 1.331 177.652 176.300 0.036 0.000 1.116 476 R CA 1.738 57.872 56.100 0.056 0.000 0.942 476 R CB -0.834 29.490 30.300 0.040 0.000 0.932 476 R HN 0.749 nan 8.270 nan 0.000 0.441 477 A N 1.745 124.571 122.820 0.010 0.000 2.520 477 A HA 0.005 4.329 4.320 0.006 0.000 0.279 477 A C 0.763 178.330 177.584 -0.028 0.000 1.031 477 A CA 0.730 52.759 52.037 -0.013 0.000 0.943 477 A CB -0.754 18.229 19.000 -0.028 0.000 0.899 477 A HN 0.496 nan 8.150 nan 0.000 0.508 478 G N 2.491 111.284 108.800 -0.012 0.000 2.249 478 G HA2 0.196 4.160 3.960 0.006 0.000 0.281 478 G HA3 0.196 4.160 3.960 0.006 0.000 0.281 478 G C 0.868 175.727 174.900 -0.068 0.000 0.862 478 G CA 0.157 45.251 45.100 -0.011 0.000 1.237 478 G HN 1.073 nan 8.290 nan 0.000 0.340 479 V N 2.270 122.093 119.914 -0.152 0.000 2.667 479 V HA -0.044 4.080 4.120 0.006 0.000 0.252 479 V C 1.854 177.807 176.094 -0.235 0.000 1.065 479 V CA 1.590 63.705 62.300 -0.309 0.000 1.083 479 V CB -0.674 30.725 31.823 -0.706 0.000 0.692 479 V HN 0.833 nan 8.190 nan 0.000 0.468 480 S N 0.537 116.169 115.700 -0.113 0.000 2.420 480 S HA 0.562 5.036 4.470 0.006 0.000 0.313 480 S C -0.566 174.063 174.600 0.048 0.000 1.079 480 S CA -0.593 57.616 58.200 0.014 0.000 1.104 480 S CB 1.145 64.408 63.200 0.104 0.000 0.969 480 S HN 0.508 nan 8.310 nan 0.000 0.471 481 Q N 1.487 121.337 119.800 0.084 0.000 2.351 481 Q HA 0.425 4.769 4.340 0.006 0.000 0.273 481 Q C 0.520 176.544 176.000 0.039 0.000 1.077 481 Q CA -1.049 54.815 55.803 0.101 0.000 0.843 481 Q CB 2.098 30.971 28.738 0.225 0.000 1.367 481 Q HN 0.784 nan 8.270 nan 0.000 0.449 482 V N 0.550 120.452 119.914 -0.019 0.000 3.451 482 V HA 0.091 4.215 4.120 0.006 0.000 0.332 482 V C 0.915 176.880 176.094 -0.215 0.000 1.198 482 V CA 0.350 62.599 62.300 -0.085 0.000 1.317 482 V CB -1.920 29.863 31.823 -0.067 0.000 1.117 482 V HN 0.856 nan 8.190 nan 0.000 0.421 483 L N -0.418 120.605 121.223 -0.334 0.000 7.187 483 L HA -0.307 4.037 4.340 0.006 0.000 0.053 483 L C 0.211 176.660 176.870 -0.702 0.000 1.569 483 L CA 1.758 56.257 54.840 -0.568 0.000 1.592 483 L CB -0.464 41.342 42.059 -0.421 0.000 2.792 483 L HN 0.834 nan 8.230 nan 0.000 1.114 484 N N -0.373 118.042 118.700 -0.474 0.000 3.193 484 N HA 0.317 5.061 4.740 0.006 0.000 0.234 484 N C -1.457 173.901 175.510 -0.254 0.000 1.267 484 N CA -0.448 52.416 53.050 -0.309 0.000 0.875 484 N CB 0.691 39.042 38.487 -0.226 0.000 1.592 484 N HN 0.408 nan 8.380 nan 0.000 0.648 485 R N 2.644 122.963 120.500 -0.301 0.000 3.463 485 R HA 0.382 4.726 4.340 0.006 0.000 0.303 485 R C -0.461 175.453 176.300 -0.643 0.000 1.370 485 R CA -0.189 55.594 56.100 -0.529 0.000 1.524 485 R CB -0.468 29.428 30.300 -0.673 0.000 1.389 485 R HN 0.646 nan 8.270 nan 0.000 0.640 486 Y N -1.714 118.351 120.300 -0.393 0.000 2.701 486 Y HA 0.369 4.923 4.550 0.006 0.000 0.275 486 Y C 0.096 175.977 175.900 -0.031 0.000 1.133 486 Y CA 0.470 58.429 58.100 -0.236 0.000 1.241 486 Y CB 1.347 39.717 38.460 -0.150 0.000 1.389 486 Y HN 0.028 nan 8.280 nan 0.000 0.486 487 T N -1.056 113.598 114.554 0.167 0.000 2.868 487 T HA 0.108 4.462 4.350 0.006 0.000 0.306 487 T C -0.554 174.245 174.700 0.164 0.000 1.224 487 T CA -0.536 61.667 62.100 0.172 0.000 1.012 487 T CB 1.447 70.421 68.868 0.177 0.000 1.221 487 T HN 0.087 nan 8.240 nan 0.000 0.499 488 Y N 2.297 122.615 120.300 0.029 0.000 2.163 488 Y HA -0.148 4.405 4.550 0.006 0.000 0.288 488 Y C 2.638 178.573 175.900 0.058 0.000 1.136 488 Y CA 2.478 60.584 58.100 0.011 0.000 1.147 488 Y CB -0.373 38.026 38.460 -0.103 0.000 0.987 488 Y HN 0.698 nan 8.280 nan 0.000 0.509 489 S N -0.890 114.912 115.700 0.170 0.000 2.440 489 S HA -0.228 4.246 4.470 0.006 0.000 0.238 489 S C 2.027 176.659 174.600 0.053 0.000 1.010 489 S CA 1.282 59.586 58.200 0.174 0.000 0.972 489 S CB -0.978 62.465 63.200 0.404 0.000 0.774 489 S HN 0.616 nan 8.310 nan 0.000 0.501 490 S N 1.223 116.949 115.700 0.043 0.000 2.412 490 S HA -0.020 4.454 4.470 0.006 0.000 0.223 490 S C 1.885 176.483 174.600 -0.003 0.000 1.048 490 S CA 0.800 59.021 58.200 0.036 0.000 0.954 490 S CB -1.296 61.949 63.200 0.075 0.000 0.840 490 S HN 0.413 nan 8.310 nan 0.000 0.503 491 T N 3.800 118.322 114.554 -0.053 0.000 2.635 491 T HA -0.052 4.301 4.350 0.006 0.000 0.267 491 T C 1.724 176.379 174.700 -0.075 0.000 1.040 491 T CA 1.880 63.932 62.100 -0.080 0.000 1.156 491 T CB -0.847 67.960 68.868 -0.103 0.000 0.863 491 T HN 0.294 nan 8.240 nan 0.000 0.430 492 L N 0.749 121.866 121.223 -0.176 0.000 1.963 492 L HA -0.178 4.166 4.340 0.006 0.000 0.220 492 L C 2.748 179.599 176.870 -0.031 0.000 1.076 492 L CA 1.470 56.231 54.840 -0.131 0.000 0.772 492 L CB -0.704 41.246 42.059 -0.182 0.000 0.892 492 L HN 0.176 nan 8.230 nan 0.000 0.435 493 S N -2.125 113.563 115.700 -0.020 0.000 2.595 493 S HA -0.142 4.332 4.470 0.006 0.000 0.235 493 S C 1.712 176.321 174.600 0.015 0.000 0.974 493 S CA 0.345 58.542 58.200 -0.005 0.000 0.942 493 S CB -0.423 62.769 63.200 -0.013 0.000 0.766 493 S HN 0.409 nan 8.310 nan 0.000 0.536 494 H N 0.710 119.753 119.070 -0.045 0.000 2.520 494 H HA 0.256 4.816 4.556 0.006 0.000 0.279 494 H C 1.599 176.912 175.328 -0.025 0.000 0.990 494 H CA 0.558 56.583 56.048 -0.039 0.000 1.288 494 H CB 0.022 29.756 29.762 -0.046 0.000 1.446 494 H HN 0.349 nan 8.280 nan 0.000 0.538 495 L N 0.394 121.717 121.223 0.166 0.000 2.313 495 L HA 0.016 4.359 4.340 0.006 0.000 0.214 495 L C 0.988 177.894 176.870 0.061 0.000 1.119 495 L CA 0.725 55.644 54.840 0.132 0.000 0.809 495 L CB 0.037 42.147 42.059 0.085 0.000 0.933 495 L HN 0.064 nan 8.230 nan 0.000 0.449 496 R N 0.179 120.692 120.500 0.021 0.000 3.130 496 R HA 0.276 4.619 4.340 0.006 0.000 0.348 496 R C -0.020 176.262 176.300 -0.031 0.000 1.241 496 R CA -0.242 55.857 56.100 -0.002 0.000 1.141 496 R CB 0.257 30.557 30.300 -0.000 0.000 1.453 496 R HN 0.094 nan 8.270 nan 0.000 0.590 497 R N 0.468 120.933 120.500 -0.058 0.000 2.598 497 R HA 0.350 4.694 4.340 0.006 0.000 0.279 497 R C -0.757 175.503 176.300 -0.066 0.000 0.984 497 R CA -0.172 55.867 56.100 -0.100 0.000 0.999 497 R CB 1.431 31.599 30.300 -0.220 0.000 1.114 497 R HN -0.034 nan 8.270 nan 0.000 0.493 498 T N 2.835 117.357 114.554 -0.053 0.000 2.963 498 T HA 0.198 4.552 4.350 0.006 0.000 0.328 498 T C -1.037 173.651 174.700 -0.019 0.000 1.048 498 T CA -0.610 61.481 62.100 -0.014 0.000 1.033 498 T CB 0.551 69.445 68.868 0.043 0.000 1.010 498 T HN 0.599 nan 8.240 nan 0.000 0.469 499 N N 1.824 120.502 118.700 -0.037 0.000 2.456 499 N HA 0.505 5.249 4.740 0.006 0.000 0.288 499 N C -0.786 174.715 175.510 -0.016 0.000 1.059 499 N CA -0.276 52.752 53.050 -0.036 0.000 0.946 499 N CB 0.892 39.343 38.487 -0.060 0.000 1.150 499 N HN 0.313 nan 8.380 nan 0.000 0.479 500 T N 3.913 118.466 114.554 -0.002 0.000 2.809 500 T HA 0.404 4.758 4.350 0.006 0.000 0.284 500 T C -2.534 172.166 174.700 -0.000 0.000 0.992 500 T CA -1.032 61.073 62.100 0.009 0.000 0.957 500 T CB 1.578 70.469 68.868 0.038 0.000 0.942 500 T HN 0.440 nan 8.240 nan 0.000 0.439 501 P HA 0.262 nan 4.420 nan 0.000 0.267 501 P C 0.438 177.739 177.300 0.002 0.000 1.201 501 P CA -0.057 63.042 63.100 -0.002 0.000 0.775 501 P CB 0.101 31.800 31.700 -0.002 0.000 0.854 510 K N 1.108 121.531 120.400 0.038 0.000 2.679 510 K HA 0.388 4.712 4.320 0.006 0.000 0.188 510 K C -2.407 174.222 176.600 0.048 0.000 1.055 510 K CA -1.277 55.035 56.287 0.041 0.000 1.006 510 K CB 2.204 34.733 32.500 0.048 0.000 1.317 510 K HN 0.317 nan 8.250 nan 0.000 0.584 511 P HA -0.022 nan 4.420 nan 0.000 0.224 511 P C 0.519 177.852 177.300 0.055 0.000 1.159 511 P CA 0.519 63.653 63.100 0.057 0.000 0.824 511 P CB 0.420 32.147 31.700 0.044 0.000 0.833 512 R N -0.650 119.869 120.500 0.031 0.000 2.307 512 R HA 0.052 4.395 4.340 0.006 0.000 0.199 512 R C 1.102 177.398 176.300 -0.006 0.000 1.000 512 R CA 0.089 56.194 56.100 0.007 0.000 1.023 512 R CB -0.460 29.840 30.300 0.000 0.000 0.908 512 R HN 0.219 nan 8.270 nan 0.000 0.473 513 Q N 1.487 121.301 119.800 0.023 0.000 2.432 513 Q HA 0.036 4.380 4.340 0.006 0.000 0.264 513 Q C -0.859 175.123 176.000 -0.030 0.000 1.035 513 Q CA 0.081 55.901 55.803 0.028 0.000 0.908 513 Q CB 0.642 29.434 28.738 0.090 0.000 1.280 513 Q HN 0.068 nan 8.270 nan 0.000 0.455 514 L N 4.184 125.375 121.223 -0.053 0.000 2.278 514 L HA 0.310 4.653 4.340 0.006 0.000 0.287 514 L C -1.024 175.898 176.870 0.086 0.000 1.072 514 L CA 0.086 54.856 54.840 -0.116 0.000 0.819 514 L CB 0.308 42.298 42.059 -0.116 0.000 1.176 514 L HN 0.785 nan 8.230 nan 0.000 0.435 515 H N 3.160 122.351 119.070 0.200 0.000 2.533 515 H HA 0.406 4.965 4.556 0.006 0.000 0.343 515 H C 0.874 176.309 175.328 0.178 0.000 1.160 515 H CA -0.357 55.825 56.048 0.222 0.000 1.218 515 H CB 1.154 31.060 29.762 0.241 0.000 1.566 515 H HN 0.659 nan 8.280 nan 0.000 0.522 516 N N 0.993 119.335 118.700 -0.596 0.000 2.272 516 N HA -0.150 4.593 4.740 0.006 0.000 0.185 516 N C 0.890 176.330 175.510 -0.117 0.000 1.014 516 N CA 1.823 54.676 53.050 -0.328 0.000 0.870 516 N CB -0.012 38.213 38.487 -0.436 0.000 0.975 516 N HN 0.713 nan 8.380 nan 0.000 0.433 517 T N -2.083 112.438 114.554 -0.056 0.000 3.148 517 T HA 0.045 4.399 4.350 0.006 0.000 0.253 517 T C 1.269 175.944 174.700 -0.041 0.000 1.134 517 T CA 0.357 62.467 62.100 0.017 0.000 1.051 517 T CB -0.158 68.718 68.868 0.014 0.000 0.959 517 T HN 0.283 nan 8.240 nan 0.000 0.525 518 H N -0.409 118.643 119.070 -0.030 0.000 2.502 518 H HA 0.049 4.609 4.556 0.006 0.000 0.283 518 H C 0.832 176.105 175.328 -0.092 0.000 1.015 518 H CA 0.076 55.994 56.048 -0.217 0.000 1.298 518 H CB -0.150 29.494 29.762 -0.196 0.000 1.411 518 H HN 0.524 nan 8.280 nan 0.000 0.556 519 W N 2.633 123.908 121.300 -0.040 0.000 2.534 519 W HA -0.009 4.655 4.660 0.006 0.000 0.340 519 W C 0.463 176.947 176.519 -0.059 0.000 1.352 519 W CA 1.573 58.887 57.345 -0.052 0.000 1.305 519 W CB -0.251 29.174 29.460 -0.057 0.000 1.299 519 W HN 0.472 nan 8.180 nan 0.000 0.572 520 G N 5.211 113.650 108.800 -0.601 0.000 2.323 520 G HA2 -0.297 3.666 3.960 0.006 0.000 0.292 520 G HA3 -0.297 3.666 3.960 0.006 0.000 0.292 520 G C 0.123 174.879 174.900 -0.239 0.000 1.040 520 G CA 0.452 45.234 45.100 -0.529 0.000 0.942 520 G HN 0.656 nan 8.290 nan 0.000 0.506 521 L N -2.595 118.517 121.223 -0.185 0.000 2.249 521 L HA 0.311 4.654 4.340 0.006 0.000 0.204 521 L C 1.000 177.792 176.870 -0.129 0.000 1.135 521 L CA -0.042 54.722 54.840 -0.126 0.000 1.070 521 L CB 0.252 42.273 42.059 -0.062 0.000 2.194 521 L HN 0.114 nan 8.230 nan 0.000 0.504 522 V N 0.121 119.936 119.914 -0.165 0.000 2.612 522 V HA 0.226 4.350 4.120 0.006 0.000 0.301 522 V C -0.378 175.635 176.094 -0.135 0.000 1.046 522 V CA -0.914 61.309 62.300 -0.129 0.000 0.946 522 V CB 2.289 34.045 31.823 -0.111 0.000 1.003 522 V HN 0.337 nan 8.190 nan 0.000 0.459 523 C N 7.805 127.034 119.300 -0.118 0.000 2.576 523 C HA 0.304 4.768 4.460 0.006 0.000 0.401 523 C C -0.253 174.665 174.990 -0.119 0.000 1.314 523 C CA -1.276 57.673 59.018 -0.116 0.000 1.855 523 C CB 0.362 28.048 27.740 -0.090 0.000 2.537 523 C HN 0.827 nan 8.230 nan 0.000 0.578 524 P HA -0.075 nan 4.420 nan 0.000 0.219 524 P C 0.680 177.939 177.300 -0.068 0.000 1.146 524 P CA 2.190 65.237 63.100 -0.088 0.000 0.808 524 P CB 0.218 31.885 31.700 -0.055 0.000 0.779 525 A N -0.992 121.794 122.820 -0.056 0.000 2.312 525 A HA 0.124 4.448 4.320 0.006 0.000 0.215 525 A C 1.109 178.660 177.584 -0.055 0.000 1.256 525 A CA -0.148 51.866 52.037 -0.038 0.000 0.966 525 A CB -0.339 18.657 19.000 -0.007 0.000 1.053 525 A HN 0.069 nan 8.150 nan 0.000 0.510 526 E N 1.596 121.756 120.200 -0.066 0.000 1.881 526 E HA 0.305 4.658 4.350 0.006 0.000 0.264 526 E C -0.564 175.986 176.600 -0.083 0.000 1.243 526 E CA 0.199 56.557 56.400 -0.070 0.000 0.965 526 E CB -0.027 29.632 29.700 -0.067 0.000 1.055 526 E HN 0.245 nan 8.360 nan 0.000 0.412 527 T N 4.122 118.623 114.554 -0.088 0.000 2.982 527 T HA 0.351 4.705 4.350 0.006 0.000 0.321 527 T C -2.823 171.811 174.700 -0.110 0.000 1.229 527 T CA -1.829 60.213 62.100 -0.097 0.000 1.044 527 T CB 1.388 70.198 68.868 -0.097 0.000 1.184 527 T HN 0.146 nan 8.240 nan 0.000 0.477 528 P HA 0.221 nan 4.420 nan 0.000 0.269 528 P C -0.302 176.922 177.300 -0.126 0.000 1.252 528 P CA -0.200 62.833 63.100 -0.111 0.000 0.780 528 P CB 0.021 31.667 31.700 -0.091 0.000 0.829 529 E N 2.733 122.828 120.200 -0.176 0.000 2.366 529 E HA 0.397 4.750 4.350 0.006 0.000 0.266 529 E C 0.783 177.301 176.600 -0.137 0.000 1.015 529 E CA -0.623 55.652 56.400 -0.209 0.000 0.906 529 E CB -0.020 29.438 29.700 -0.404 0.000 0.979 529 E HN 0.682 nan 8.360 nan 0.000 0.443 530 G N 2.418 111.159 108.800 -0.099 0.000 2.642 530 G HA2 -0.379 3.585 3.960 0.006 0.000 0.231 530 G HA3 -0.379 3.585 3.960 0.006 0.000 0.231 530 G C 0.350 175.219 174.900 -0.051 0.000 1.338 530 G CA 0.118 45.182 45.100 -0.060 0.000 0.883 530 G HN 0.762 nan 8.290 nan 0.000 0.570 531 Q N -2.737 117.041 119.800 -0.037 0.000 2.145 531 Q HA -0.357 3.987 4.340 0.006 0.000 0.341 531 Q C 1.449 177.432 176.000 -0.029 0.000 2.068 531 Q CA 3.005 58.789 55.803 -0.031 0.000 0.811 531 Q CB -1.676 27.041 28.738 -0.035 0.000 1.480 531 Q HN 2.480 nan 8.270 nan 0.000 0.776 532 A N 0.409 123.208 122.820 -0.035 0.000 3.204 532 A HA 0.459 4.782 4.320 0.006 0.000 0.327 532 A C -0.340 177.219 177.584 -0.041 0.000 0.998 532 A CA -0.076 51.942 52.037 -0.032 0.000 0.891 532 A CB 0.481 19.464 19.000 -0.029 0.000 1.061 532 A HN 0.491 nan 8.150 nan 0.000 0.478 533 C N 0.222 119.496 119.300 -0.044 0.000 2.604 533 C HA 0.574 5.038 4.460 0.006 0.000 0.396 533 C C 1.963 176.925 174.990 -0.047 0.000 1.282 533 C CA 1.531 60.517 59.018 -0.055 0.000 2.292 533 C CB -0.319 27.386 27.740 -0.059 0.000 2.633 533 C HN 2.100 nan 8.230 nan 0.000 0.620 534 G N 3.751 112.516 108.800 -0.059 0.000 2.353 534 G HA2 -0.299 3.665 3.960 0.006 0.000 0.258 534 G HA3 -0.299 3.665 3.960 0.006 0.000 0.258 534 G C 0.741 175.616 174.900 -0.041 0.000 1.013 534 G CA 0.839 45.902 45.100 -0.061 0.000 0.622 534 G HN 0.804 nan 8.290 nan 0.000 0.535 535 L N 0.300 121.508 121.223 -0.025 0.000 1.961 535 L HA 0.101 4.445 4.340 0.006 0.000 0.209 535 L C 1.639 178.506 176.870 -0.005 0.000 1.075 535 L CA 1.333 56.170 54.840 -0.005 0.000 0.749 535 L CB -0.447 41.607 42.059 -0.009 0.000 0.890 535 L HN 0.165 nan 8.230 nan 0.000 0.433 536 V N 2.243 122.140 119.914 -0.029 0.000 2.470 536 V HA 0.088 4.212 4.120 0.006 0.000 0.276 536 V C -0.040 176.025 176.094 -0.050 0.000 1.040 536 V CA -0.089 62.188 62.300 -0.039 0.000 1.008 536 V CB 0.394 32.179 31.823 -0.063 0.000 0.990 536 V HN 0.285 nan 8.190 nan 0.000 0.477 537 K N 3.584 123.964 120.400 -0.034 0.000 2.426 537 K HA 0.575 4.899 4.320 0.006 0.000 0.251 537 K C -1.188 175.385 176.600 -0.044 0.000 0.941 537 K CA -0.950 55.306 56.287 -0.051 0.000 0.808 537 K CB 1.970 34.430 32.500 -0.066 0.000 1.265 537 K HN 0.355 nan 8.250 nan 0.000 0.432 538 N N 1.399 120.063 118.700 -0.061 0.000 2.508 538 N HA 0.359 5.102 4.740 0.006 0.000 0.285 538 N C -0.026 175.455 175.510 -0.048 0.000 1.144 538 N CA -0.558 52.459 53.050 -0.055 0.000 0.978 538 N CB 0.790 39.240 38.487 -0.062 0.000 1.180 538 N HN 0.443 nan 8.380 nan 0.000 0.484 539 L N 0.640 121.841 121.223 -0.037 0.000 2.436 539 L HA 0.218 4.562 4.340 0.006 0.000 0.265 539 L C 1.197 178.030 176.870 -0.061 0.000 1.168 539 L CA -0.304 54.511 54.840 -0.042 0.000 0.815 539 L CB 0.403 42.443 42.059 -0.032 0.000 1.109 539 L HN 0.350 nan 8.230 nan 0.000 0.462 540 S N 0.885 116.531 115.700 -0.091 0.000 2.587 540 S HA 0.138 4.612 4.470 0.006 0.000 0.260 540 S C 1.350 175.901 174.600 -0.082 0.000 1.353 540 S CA -0.548 57.586 58.200 -0.111 0.000 0.995 540 S CB 0.635 63.734 63.200 -0.170 0.000 0.912 540 S HN 0.456 nan 8.310 nan 0.000 0.568 541 L N 0.623 121.807 121.223 -0.065 0.000 2.093 541 L HA 0.018 4.362 4.340 0.006 0.000 0.208 541 L C 1.975 178.794 176.870 -0.084 0.000 1.085 541 L CA 1.231 56.086 54.840 0.026 0.000 0.755 541 L CB -0.218 41.909 42.059 0.112 0.000 0.904 541 L HN 0.610 nan 8.230 nan 0.000 0.435 542 M N -0.258 119.176 119.600 -0.276 0.000 2.493 542 M HA 0.074 4.558 4.480 0.006 0.000 0.244 542 M C 0.573 176.594 176.300 -0.465 0.000 1.182 542 M CA -0.180 54.781 55.300 -0.564 0.000 0.981 542 M CB 0.222 32.413 32.600 -0.682 0.000 1.551 542 M HN 0.174 nan 8.290 nan 0.000 0.476 543 S N -0.993 114.529 115.700 -0.297 0.000 2.616 543 S HA 0.596 5.069 4.470 0.006 0.000 0.277 543 S C -0.276 174.124 174.600 -0.333 0.000 1.234 543 S CA -0.909 57.109 58.200 -0.303 0.000 1.028 543 S CB 1.521 64.606 63.200 -0.192 0.000 0.988 543 S HN 0.339 nan 8.310 nan 0.000 0.522 544 C N 1.373 120.327 119.300 -0.575 0.000 3.080 544 C HA 0.704 5.168 4.460 0.006 0.000 0.307 544 C C -0.739 173.907 174.990 -0.574 0.000 1.311 544 C CA -0.824 57.854 59.018 -0.567 0.000 1.533 544 C CB 1.007 28.340 27.740 -0.678 0.000 1.970 544 C HN 0.901 nan 8.230 nan 0.000 0.467 545 I N 1.718 122.150 120.570 -0.230 0.000 2.433 545 I HA 0.360 4.533 4.170 0.006 0.000 0.292 545 I C 0.683 176.894 176.117 0.157 0.000 1.001 545 I CA 0.339 61.616 61.300 -0.038 0.000 1.119 545 I CB 1.829 39.827 38.000 -0.003 0.000 1.289 545 I HN 0.806 nan 8.210 nan 0.000 0.438 546 S N 4.453 120.337 115.700 0.307 0.000 2.559 546 S HA 0.073 4.547 4.470 0.006 0.000 0.282 546 S C 0.911 175.607 174.600 0.160 0.000 1.336 546 S CA -0.411 57.974 58.200 0.310 0.000 1.037 546 S CB 0.951 64.270 63.200 0.199 0.000 0.853 546 S HN 0.508 nan 8.310 nan 0.000 0.523 547 V N 2.602 122.589 119.914 0.122 0.000 2.283 547 V HA 0.446 4.569 4.120 0.006 0.000 0.239 547 V C 1.356 177.464 176.094 0.023 0.000 1.035 547 V CA 1.721 64.058 62.300 0.061 0.000 1.018 547 V CB -0.336 31.504 31.823 0.028 0.000 0.658 547 V HN 1.666 nan 8.190 nan 0.000 0.459 548 G N 0.656 109.456 108.800 0.001 0.000 2.237 548 G HA2 -0.026 3.937 3.960 0.006 0.000 0.234 548 G HA3 -0.026 3.937 3.960 0.006 0.000 0.234 548 G C -0.267 174.606 174.900 -0.045 0.000 1.842 548 G CA -0.134 44.960 45.100 -0.010 0.000 1.208 548 G HN 0.490 nan 8.290 nan 0.000 0.644 549 T N 0.791 115.324 114.554 -0.036 0.000 2.754 549 T HA 0.458 4.812 4.350 0.006 0.000 0.286 549 T C 0.217 174.901 174.700 -0.026 0.000 0.997 549 T CA -0.458 61.611 62.100 -0.052 0.000 0.982 549 T CB 1.237 70.074 68.868 -0.052 0.000 1.027 549 T HN 0.306 nan 8.240 nan 0.000 0.529 550 D N 1.564 121.949 120.400 -0.025 0.000 2.304 550 D HA 0.206 4.850 4.640 0.006 0.000 0.250 550 D C -1.328 174.966 176.300 -0.009 0.000 1.107 550 D CA -1.524 52.474 54.000 -0.005 0.000 0.885 550 D CB 1.706 42.508 40.800 0.004 0.000 1.192 550 D HN 0.228 nan 8.370 nan 0.000 0.436 551 P HA -0.023 nan 4.420 nan 0.000 0.219 551 P C 1.724 179.010 177.300 -0.024 0.000 1.154 551 P CA 0.618 63.714 63.100 -0.007 0.000 0.826 551 P CB 0.312 32.020 31.700 0.014 0.000 0.795 552 M N -0.429 119.165 119.600 -0.010 0.000 2.110 552 M HA -0.110 4.374 4.480 0.006 0.000 0.257 552 M C -0.611 175.685 176.300 -0.006 0.000 1.071 552 M CA 2.269 57.564 55.300 -0.008 0.000 1.096 552 M CB -3.064 29.541 32.600 0.009 0.000 1.300 552 M HN -0.031 nan 8.290 nan 0.000 0.411 553 P HA -0.012 nan 4.420 nan 0.000 0.239 553 P C 1.223 178.522 177.300 -0.002 0.000 1.184 553 P CA 0.944 64.046 63.100 0.003 0.000 0.760 553 P CB -0.156 31.532 31.700 -0.019 0.000 0.884 554 I N -1.880 118.675 120.570 -0.025 0.000 2.810 554 I HA -0.041 4.132 4.170 0.006 0.000 0.262 554 I C 2.115 178.231 176.117 -0.003 0.000 1.131 554 I CA 0.559 61.843 61.300 -0.027 0.000 1.453 554 I CB -0.611 37.346 38.000 -0.071 0.000 1.161 554 I HN -0.197 nan 8.210 nan 0.000 0.444 555 I N 0.409 120.937 120.570 -0.071 0.000 2.151 555 I HA -0.324 3.850 4.170 0.006 0.000 0.243 555 I C 2.457 178.533 176.117 -0.069 0.000 1.080 555 I CA 1.925 63.127 61.300 -0.164 0.000 1.339 555 I CB -1.457 36.413 38.000 -0.217 0.000 1.039 555 I HN 0.252 nan 8.210 nan 0.000 0.409 556 T N -0.263 114.292 114.554 0.002 0.000 3.088 556 T HA -0.082 4.271 4.350 0.006 0.000 0.259 556 T C 1.504 176.262 174.700 0.097 0.000 1.122 556 T CA 0.192 62.316 62.100 0.040 0.000 1.095 556 T CB -0.260 68.634 68.868 0.044 0.000 0.930 556 T HN 0.217 nan 8.240 nan 0.000 0.508 557 F N 0.452 120.386 119.950 -0.027 0.000 2.558 557 F HA 0.300 4.831 4.527 0.006 0.000 0.298 557 F C 1.375 177.198 175.800 0.039 0.000 1.119 557 F CA 0.539 58.528 58.000 -0.018 0.000 1.451 557 F CB 0.059 38.974 39.000 -0.141 0.000 1.091 557 F HN 0.133 nan 8.300 nan 0.000 0.563 558 L N -0.608 120.649 121.223 0.058 0.000 2.051 558 L HA -0.096 4.248 4.340 0.006 0.000 0.202 558 L C 2.610 179.473 176.870 -0.012 0.000 1.097 558 L CA 1.159 56.000 54.840 0.001 0.000 0.762 558 L CB -1.110 40.938 42.059 -0.019 0.000 0.913 558 L HN 0.082 nan 8.230 nan 0.000 0.447 559 S N -1.138 114.556 115.700 -0.010 0.000 2.584 559 S HA -0.092 4.382 4.470 0.006 0.000 0.240 559 S C 1.301 175.903 174.600 0.002 0.000 0.975 559 S CA 0.928 59.132 58.200 0.006 0.000 0.949 559 S CB -0.299 62.913 63.200 0.019 0.000 0.761 559 S HN 0.447 nan 8.310 nan 0.000 0.536 560 E N -1.392 118.806 120.200 -0.004 0.000 2.541 560 E HA 0.162 4.515 4.350 0.006 0.000 0.219 560 E C -0.806 175.760 176.600 -0.055 0.000 0.922 560 E CA -0.197 56.193 56.400 -0.018 0.000 1.095 560 E CB 0.459 30.164 29.700 0.010 0.000 1.112 560 E HN 0.697 nan 8.360 nan 0.000 0.516 561 W N 0.973 122.086 121.300 -0.312 0.000 2.433 561 W HA 0.349 5.013 4.660 0.006 0.000 0.288 561 W C 0.601 176.885 176.519 -0.391 0.000 0.986 561 W CA 0.300 57.364 57.345 -0.470 0.000 1.680 561 W CB 0.532 29.362 29.460 -1.050 0.000 1.615 561 W HN 0.215 nan 8.180 nan 0.000 0.416 562 G N 2.580 111.313 108.800 -0.110 0.000 3.178 562 G HA2 -0.272 3.691 3.960 0.006 0.000 0.200 562 G HA3 -0.272 3.691 3.960 0.006 0.000 0.200 562 G C 0.424 175.431 174.900 0.179 0.000 1.831 562 G CA -0.111 44.965 45.100 -0.042 0.000 1.470 562 G HN 0.515 nan 8.290 nan 0.000 0.591 563 M N 1.342 121.017 119.600 0.125 0.000 2.226 563 M HA 0.722 5.205 4.480 0.006 0.000 0.324 563 M C -0.093 176.296 176.300 0.149 0.000 1.112 563 M CA 0.163 55.639 55.300 0.294 0.000 1.176 563 M CB 0.588 33.271 32.600 0.137 0.000 1.430 563 M HN 0.343 nan 8.290 nan 0.000 0.462 564 E N 2.120 122.385 120.200 0.109 0.000 2.313 564 E HA 0.426 4.780 4.350 0.006 0.000 0.272 564 E C -2.322 174.269 176.600 -0.015 0.000 1.038 564 E CA -1.881 54.538 56.400 0.031 0.000 0.863 564 E CB 0.890 30.603 29.700 0.023 0.000 1.060 564 E HN 0.508 nan 8.360 nan 0.000 0.402 565 P HA 0.040 nan 4.420 nan 0.000 0.293 565 P C 0.283 177.471 177.300 -0.187 0.000 1.304 565 P CA -0.426 62.637 63.100 -0.061 0.000 0.767 565 P CB 0.901 32.595 31.700 -0.009 0.000 1.247 566 L N 0.354 121.426 121.223 -0.251 0.000 2.102 566 L HA -0.085 4.258 4.340 0.006 0.000 0.202 566 L C 2.434 179.102 176.870 -0.337 0.000 1.076 566 L CA 1.687 56.227 54.840 -0.500 0.000 0.761 566 L CB -1.420 40.325 42.059 -0.522 0.000 0.921 566 L HN 0.368 nan 8.230 nan 0.000 0.444 567 E N -0.760 119.379 120.200 -0.101 0.000 2.097 567 E HA -0.223 4.131 4.350 0.006 0.000 0.196 567 E C -0.113 176.501 176.600 0.024 0.000 1.000 567 E CA 1.305 57.714 56.400 0.015 0.000 0.804 567 E CB -0.848 28.875 29.700 0.038 0.000 0.740 567 E HN 0.468 nan 8.360 nan 0.000 0.454 568 D N 0.327 120.725 120.400 -0.004 0.000 2.499 568 D HA 0.206 4.850 4.640 0.006 0.000 0.225 568 D C -1.240 175.087 176.300 0.046 0.000 1.124 568 D CA -0.247 53.766 54.000 0.021 0.000 0.938 568 D CB -0.061 40.746 40.800 0.012 0.000 1.014 568 D HN 0.122 nan 8.370 nan 0.000 0.517 569 Y N 1.711 121.933 120.300 -0.130 0.000 2.361 569 Y HA 0.363 4.917 4.550 0.006 0.000 0.328 569 Y C -1.428 174.442 175.900 -0.049 0.000 1.044 569 Y CA -1.123 56.872 58.100 -0.175 0.000 1.085 569 Y CB 1.209 39.398 38.460 -0.453 0.000 1.194 569 Y HN 0.049 nan 8.280 nan 0.000 0.438 570 V N 5.692 125.316 119.914 -0.483 0.000 2.487 570 V HA 0.587 4.710 4.120 0.006 0.000 0.298 570 V C -2.296 173.419 176.094 -0.633 0.000 1.028 570 V CA -2.274 59.732 62.300 -0.491 0.000 0.860 570 V CB 1.670 33.467 31.823 -0.044 0.000 0.991 570 V HN 0.608 nan 8.190 nan 0.000 0.427 571 P HA -0.246 nan 4.420 nan 0.000 0.212 571 P C 0.835 178.123 177.300 -0.020 0.000 1.128 571 P CA 2.560 65.461 63.100 -0.332 0.000 0.961 571 P CB 0.140 31.668 31.700 -0.288 0.000 0.782 572 H N -4.968 114.054 119.070 -0.079 0.000 2.577 572 H HA 0.131 4.690 4.556 0.006 0.000 0.172 572 H C 0.356 175.660 175.328 -0.039 0.000 0.975 572 H CA 0.579 56.580 56.048 -0.078 0.000 0.772 572 H CB -0.141 29.543 29.762 -0.130 0.000 0.762 572 H HN -0.132 nan 8.280 nan 0.000 0.514 573 Q N 0.034 119.871 119.800 0.061 0.000 0.344 573 Q HA -0.166 4.178 4.340 0.006 0.000 0.314 573 Q C -0.415 175.618 176.000 0.056 0.000 1.090 573 Q CA 1.090 56.919 55.803 0.044 0.000 0.214 573 Q CB -0.841 27.917 28.738 0.033 0.000 5.645 573 Q HN 0.344 nan 8.270 nan 0.000 0.301 574 S N 2.653 118.375 115.700 0.037 0.000 2.611 574 S HA 0.136 4.609 4.470 0.006 0.000 0.317 574 S C -1.741 172.893 174.600 0.056 0.000 1.208 574 S CA -0.064 58.158 58.200 0.035 0.000 1.217 574 S CB 0.308 63.515 63.200 0.011 0.000 1.085 574 S HN 0.386 nan 8.310 nan 0.000 0.529 575 P HA 0.136 nan 4.420 nan 0.000 0.255 575 P C 0.099 177.432 177.300 0.055 0.000 1.248 575 P CA 0.188 63.328 63.100 0.067 0.000 0.807 575 P CB 0.270 32.020 31.700 0.084 0.000 1.150 576 D N -0.027 120.397 120.400 0.041 0.000 2.350 576 D HA 0.086 4.730 4.640 0.006 0.000 0.213 576 D C 0.877 177.192 176.300 0.025 0.000 1.031 576 D CA 0.088 54.108 54.000 0.032 0.000 0.861 576 D CB 0.221 41.036 40.800 0.024 0.000 0.926 576 D HN 0.105 nan 8.370 nan 0.000 0.520 577 A N 1.195 124.029 122.820 0.024 0.000 2.520 577 A HA 0.213 4.537 4.320 0.006 0.000 0.245 577 A C 0.444 178.046 177.584 0.030 0.000 1.072 577 A CA 0.310 52.357 52.037 0.016 0.000 0.761 577 A CB 0.109 19.126 19.000 0.029 0.000 1.004 577 A HN -0.061 nan 8.150 nan 0.000 0.499 578 T N 4.272 118.854 114.554 0.047 0.000 2.738 578 T HA 0.401 4.755 4.350 0.006 0.000 0.298 578 T C 0.635 175.379 174.700 0.075 0.000 0.962 578 T CA -0.422 61.711 62.100 0.054 0.000 0.972 578 T CB 0.233 69.141 68.868 0.067 0.000 0.928 578 T HN 0.796 nan 8.240 nan 0.000 0.474 579 R N 1.623 122.152 120.500 0.048 0.000 2.801 579 R HA 0.546 4.890 4.340 0.006 0.000 0.273 579 R C -0.892 175.482 176.300 0.124 0.000 1.080 579 R CA -0.719 55.453 56.100 0.120 0.000 1.197 579 R CB 0.232 30.599 30.300 0.112 0.000 1.109 579 R HN 0.284 nan 8.270 nan 0.000 0.535 580 V N 1.818 121.884 119.914 0.254 0.000 2.444 580 V HA 0.358 4.481 4.120 0.006 0.000 0.294 580 V C -1.091 175.183 176.094 0.299 0.000 1.022 580 V CA -0.585 61.850 62.300 0.224 0.000 0.850 580 V CB 1.018 32.954 31.823 0.189 0.000 0.992 580 V HN 0.503 nan 8.190 nan 0.000 0.426 581 F N 3.783 123.671 119.950 -0.102 0.000 2.458 581 F HA 0.729 5.260 4.527 0.006 0.000 0.336 581 F C -0.027 175.694 175.800 -0.131 0.000 1.114 581 F CA -0.822 57.105 58.000 -0.123 0.000 0.987 581 F CB 2.207 41.046 39.000 -0.269 0.000 1.130 581 F HN 0.181 nan 8.300 nan 0.000 0.458 582 V N 4.374 124.311 119.914 0.038 0.000 2.447 582 V HA 0.278 4.402 4.120 0.006 0.000 0.292 582 V C -0.329 175.781 176.094 0.027 0.000 1.021 582 V CA -1.274 61.018 62.300 -0.012 0.000 0.850 582 V CB 1.317 33.165 31.823 0.040 0.000 1.005 582 V HN 0.782 nan 8.190 nan 0.000 0.426 583 N N 3.907 122.596 118.700 -0.018 0.000 2.725 583 N HA -0.197 4.547 4.740 0.006 0.000 0.251 583 N C 1.142 176.823 175.510 0.284 0.000 1.031 583 N CA 1.541 54.765 53.050 0.290 0.000 0.720 583 N CB -0.706 37.910 38.487 0.214 0.000 0.930 583 N HN 1.608 nan 8.380 nan 0.000 0.543 584 G N -1.991 107.020 108.800 0.352 0.000 2.249 584 G HA2 -0.278 3.686 3.960 0.006 0.000 0.273 584 G HA3 -0.278 3.686 3.960 0.006 0.000 0.273 584 G C -0.044 174.943 174.900 0.145 0.000 1.036 584 G CA 0.477 45.786 45.100 0.348 0.000 0.824 584 G HN 0.524 nan 8.290 nan 0.000 0.504 585 V N -0.234 119.638 119.914 -0.071 0.000 2.656 585 V HA 0.664 4.787 4.120 0.006 0.000 0.307 585 V C -0.238 175.616 176.094 -0.400 0.000 1.051 585 V CA -1.237 60.952 62.300 -0.185 0.000 0.893 585 V CB 1.968 33.696 31.823 -0.159 0.000 0.999 585 V HN 0.315 nan 8.190 nan 0.000 0.426 586 W N 4.351 125.340 121.300 -0.519 0.000 2.357 586 W HA 0.459 5.123 4.660 0.006 0.000 0.317 586 W C 0.817 177.109 176.519 -0.379 0.000 1.101 586 W CA -0.645 56.425 57.345 -0.458 0.000 1.380 586 W CB 0.339 29.674 29.460 -0.208 0.000 1.266 586 W HN 0.697 nan 8.180 nan 0.000 0.419 587 H N 3.386 122.536 119.070 0.132 0.000 2.551 587 H HA 0.257 4.817 4.556 0.006 0.000 0.271 587 H C 1.261 176.529 175.328 -0.100 0.000 0.984 587 H CA 1.076 57.117 56.048 -0.012 0.000 1.164 587 H CB 0.653 30.416 29.762 0.002 0.000 1.437 587 H HN 0.600 nan 8.280 nan 0.000 0.550 588 G N 0.259 109.003 108.800 -0.093 0.000 2.297 588 G HA2 -0.098 3.865 3.960 0.006 0.000 0.209 588 G HA3 -0.098 3.865 3.960 0.006 0.000 0.209 588 G C -1.267 173.644 174.900 0.019 0.000 1.267 588 G CA -0.279 44.604 45.100 -0.362 0.000 1.127 588 G HN 0.122 nan 8.290 nan 0.000 0.498 589 V N -0.267 119.593 119.914 -0.090 0.000 3.155 589 V HA 0.881 5.004 4.120 0.006 0.000 0.313 589 V C -0.408 175.750 176.094 0.107 0.000 1.162 589 V CA -0.390 61.928 62.300 0.030 0.000 1.048 589 V CB 2.078 33.824 31.823 -0.128 0.000 1.092 589 V HN 1.318 nan 8.190 nan 0.000 0.447 590 H N 0.608 119.694 119.070 0.026 0.000 2.894 590 H HA 0.629 5.189 4.556 0.006 0.000 0.367 590 H C -0.637 174.713 175.328 0.037 0.000 1.144 590 H CA -0.689 55.378 56.048 0.032 0.000 1.180 590 H CB 1.540 31.329 29.762 0.046 0.000 1.758 590 H HN 0.507 nan 8.280 nan 0.000 0.541 591 R N 3.265 123.323 120.500 -0.736 0.000 2.210 591 R HA 0.221 4.565 4.340 0.006 0.000 0.338 591 R C -0.583 175.463 176.300 -0.425 0.000 1.062 591 R CA -0.318 55.515 56.100 -0.445 0.000 0.902 591 R CB -0.071 30.049 30.300 -0.300 0.000 1.050 591 R HN 0.847 nan 8.270 nan 0.000 0.461 592 N N 2.506 121.148 118.700 -0.096 0.000 2.422 592 N HA -0.101 4.643 4.740 0.006 0.000 0.289 592 N C -2.243 173.391 175.510 0.206 0.000 1.385 592 N CA -0.054 53.020 53.050 0.041 0.000 0.639 592 N CB 0.309 38.808 38.487 0.020 0.000 0.914 592 N HN 0.411 nan 8.380 nan 0.000 0.516 593 P HA 0.172 nan 4.420 nan 0.000 0.262 593 P C 0.877 178.256 177.300 0.131 0.000 1.304 593 P CA 0.512 63.742 63.100 0.218 0.000 0.859 593 P CB 0.279 32.077 31.700 0.164 0.000 1.310 594 A N 1.768 124.656 122.820 0.113 0.000 1.873 594 A HA -0.215 4.109 4.320 0.006 0.000 0.218 594 A C 2.308 179.944 177.584 0.086 0.000 1.193 594 A CA 1.521 53.608 52.037 0.082 0.000 0.629 594 A CB -0.876 18.165 19.000 0.069 0.000 0.826 594 A HN 0.146 nan 8.150 nan 0.000 0.447 595 R N -1.314 119.253 120.500 0.111 0.000 2.173 595 R HA 0.096 4.440 4.340 0.006 0.000 0.208 595 R C 2.098 178.478 176.300 0.134 0.000 1.035 595 R CA 0.842 57.015 56.100 0.121 0.000 1.004 595 R CB -0.527 29.859 30.300 0.144 0.000 0.917 595 R HN 0.502 nan 8.270 nan 0.000 0.462 596 L N 0.958 122.266 121.223 0.141 0.000 2.042 596 L HA -0.175 4.169 4.340 0.006 0.000 0.210 596 L C 2.274 179.174 176.870 0.051 0.000 1.076 596 L CA 1.746 56.644 54.840 0.097 0.000 0.749 596 L CB -0.335 41.731 42.059 0.012 0.000 0.893 596 L HN 0.054 nan 8.230 nan 0.000 0.432 597 M N -0.095 119.536 119.600 0.051 0.000 2.086 597 M HA -0.213 4.271 4.480 0.006 0.000 0.261 597 M C 2.283 178.592 176.300 0.015 0.000 1.067 597 M CA 2.057 57.374 55.300 0.029 0.000 1.116 597 M CB -0.477 32.145 32.600 0.037 0.000 1.348 597 M HN 0.444 nan 8.290 nan 0.000 0.407 598 E N -1.713 118.505 120.200 0.030 0.000 2.208 598 E HA -0.126 4.228 4.350 0.006 0.000 0.193 598 E C 1.496 178.094 176.600 -0.003 0.000 0.988 598 E CA 1.540 57.952 56.400 0.020 0.000 0.828 598 E CB 0.067 29.789 29.700 0.037 0.000 0.763 598 E HN 0.526 nan 8.360 nan 0.000 0.478 599 T N 0.531 115.084 114.554 -0.002 0.000 2.812 599 T HA -0.067 4.287 4.350 0.006 0.000 0.264 599 T C 1.769 176.385 174.700 -0.140 0.000 1.042 599 T CA 0.733 62.794 62.100 -0.065 0.000 1.140 599 T CB -0.119 68.695 68.868 -0.090 0.000 0.870 599 T HN 0.126 nan 8.240 nan 0.000 0.445 600 L N 0.390 121.548 121.223 -0.107 0.000 2.017 600 L HA -0.094 4.250 4.340 0.006 0.000 0.208 600 L C 2.943 179.729 176.870 -0.141 0.000 1.073 600 L CA 1.470 56.223 54.840 -0.145 0.000 0.745 600 L CB -0.355 41.656 42.059 -0.080 0.000 0.894 600 L HN 0.143 nan 8.230 nan 0.000 0.432 601 R N -0.907 119.541 120.500 -0.087 0.000 2.075 601 R HA -0.095 4.248 4.340 0.006 0.000 0.232 601 R C 1.984 178.225 176.300 -0.097 0.000 1.126 601 R CA 1.777 57.832 56.100 -0.076 0.000 0.963 601 R CB -0.415 29.867 30.300 -0.030 0.000 0.858 601 R HN 0.342 nan 8.270 nan 0.000 0.435 602 T N 0.805 115.302 114.554 -0.095 0.000 3.148 602 T HA 0.107 4.461 4.350 0.006 0.000 0.253 602 T C 1.533 176.153 174.700 -0.134 0.000 1.134 602 T CA 0.499 62.543 62.100 -0.094 0.000 1.051 602 T CB 0.188 69.020 68.868 -0.061 0.000 0.959 602 T HN 0.128 nan 8.240 nan 0.000 0.525 603 L N -0.168 120.942 121.223 -0.188 0.000 2.513 603 L HA 0.287 4.630 4.340 0.006 0.000 0.222 603 L C 2.703 179.441 176.870 -0.220 0.000 1.096 603 L CA 0.245 54.944 54.840 -0.235 0.000 0.857 603 L CB -0.149 41.691 42.059 -0.366 0.000 1.026 603 L HN 0.092 nan 8.230 nan 0.000 0.469 604 R N 0.727 121.109 120.500 -0.196 0.000 2.100 604 R HA 0.014 4.358 4.340 0.006 0.000 0.220 604 R C 1.367 177.557 176.300 -0.183 0.000 1.091 604 R CA 0.513 56.501 56.100 -0.188 0.000 0.986 604 R CB 0.231 30.431 30.300 -0.167 0.000 0.888 604 R HN 0.231 nan 8.270 nan 0.000 0.444 605 R N 0.182 120.588 120.500 -0.156 0.000 2.541 605 R HA 0.037 4.381 4.340 0.006 0.000 0.245 605 R C 1.188 177.404 176.300 -0.140 0.000 1.154 605 R CA 0.339 56.351 56.100 -0.147 0.000 1.179 605 R CB 0.258 30.492 30.300 -0.110 0.000 1.189 605 R HN 0.042 nan 8.270 nan 0.000 0.526 606 K N -1.851 118.459 120.400 -0.149 0.000 2.611 606 K HA 0.066 4.390 4.320 0.006 0.000 0.209 606 K C 0.729 177.245 176.600 -0.139 0.000 1.658 606 K CA 0.765 56.974 56.287 -0.130 0.000 1.080 606 K CB 1.252 33.687 32.500 -0.108 0.000 1.430 606 K HN 0.227 nan 8.250 nan 0.000 0.596 607 G N 1.109 109.812 108.800 -0.161 0.000 2.380 607 G HA2 -0.188 3.776 3.960 0.006 0.000 0.197 607 G HA3 -0.188 3.776 3.960 0.006 0.000 0.197 607 G C 0.452 175.258 174.900 -0.158 0.000 1.001 607 G CA 0.315 45.319 45.100 -0.160 0.000 0.668 607 G HN 0.238 nan 8.290 nan 0.000 0.483 608 D N 0.598 120.898 120.400 -0.167 0.000 2.178 608 D HA 0.012 4.656 4.640 0.006 0.000 0.201 608 D C 1.203 177.370 176.300 -0.222 0.000 0.980 608 D CA 0.872 54.762 54.000 -0.184 0.000 0.842 608 D CB 0.177 40.857 40.800 -0.201 0.000 0.948 608 D HN 0.389 nan 8.370 nan 0.000 0.472 609 I N 1.503 121.930 120.570 -0.239 0.000 2.359 609 I HA 0.072 4.245 4.170 0.006 0.000 0.294 609 I C 0.734 176.738 176.117 -0.188 0.000 0.987 609 I CA -0.771 60.392 61.300 -0.229 0.000 1.225 609 I CB 0.664 38.513 38.000 -0.252 0.000 1.366 609 I HN -0.141 nan 8.210 nan 0.000 0.466 610 N N 8.255 126.859 118.700 -0.160 0.000 2.301 610 N HA -0.038 4.706 4.740 0.006 0.000 0.267 610 N C -1.687 173.717 175.510 -0.177 0.000 1.304 610 N CA -0.663 52.298 53.050 -0.149 0.000 0.851 610 N CB 1.215 39.632 38.487 -0.117 0.000 1.070 610 N HN 0.305 nan 8.380 nan 0.000 0.483 611 P HA -0.143 nan 4.420 nan 0.000 0.220 611 P C 0.674 177.801 177.300 -0.288 0.000 1.144 611 P CA 1.244 64.154 63.100 -0.317 0.000 0.800 611 P CB 0.303 31.725 31.700 -0.462 0.000 0.772 612 E N -0.565 119.504 120.200 -0.218 0.000 2.028 612 E HA -0.070 4.284 4.350 0.006 0.000 0.191 612 E C 0.559 177.036 176.600 -0.205 0.000 0.988 612 E CA 0.493 56.743 56.400 -0.250 0.000 0.799 612 E CB -0.542 29.061 29.700 -0.162 0.000 0.755 612 E HN 0.011 nan 8.360 nan 0.000 0.447 613 V N 2.578 122.416 119.914 -0.127 0.000 2.975 613 V HA -0.130 3.993 4.120 0.006 0.000 0.300 613 V C 0.396 176.466 176.094 -0.041 0.000 1.186 613 V CA 0.583 62.843 62.300 -0.066 0.000 1.311 613 V CB 0.559 32.340 31.823 -0.070 0.000 0.917 613 V HN 0.228 nan 8.190 nan 0.000 0.512 614 S N 5.359 121.075 115.700 0.027 0.000 2.438 614 S HA 0.719 5.193 4.470 0.006 0.000 0.316 614 S C -0.642 173.984 174.600 0.043 0.000 1.084 614 S CA -0.840 57.398 58.200 0.063 0.000 1.107 614 S CB 0.812 64.101 63.200 0.149 0.000 0.981 614 S HN 0.579 nan 8.310 nan 0.000 0.466 615 M N 3.986 123.593 119.600 0.013 0.000 2.055 615 M HA 0.404 4.887 4.480 0.006 0.000 0.346 615 M C -1.446 174.864 176.300 0.017 0.000 1.074 615 M CA -0.451 54.845 55.300 -0.007 0.000 1.009 615 M CB 0.446 33.031 32.600 -0.026 0.000 1.423 615 M HN 0.573 nan 8.290 nan 0.000 0.410 616 I N 2.825 123.404 120.570 0.014 0.000 2.330 616 I HA 0.463 4.637 4.170 0.006 0.000 0.289 616 I C -0.021 176.096 176.117 0.001 0.000 1.001 616 I CA -0.394 60.923 61.300 0.028 0.000 1.193 616 I CB 1.170 39.203 38.000 0.056 0.000 1.345 616 I HN 0.570 nan 8.210 nan 0.000 0.461 617 R N 4.281 124.787 120.500 0.011 0.000 2.387 617 R HA 0.353 4.697 4.340 0.006 0.000 0.314 617 R C -1.246 175.056 176.300 0.003 0.000 0.958 617 R CA -0.540 55.561 56.100 0.002 0.000 0.846 617 R CB 1.068 31.376 30.300 0.014 0.000 1.147 617 R HN 0.565 nan 8.270 nan 0.000 0.447 618 D N 6.339 126.733 120.400 -0.011 0.000 2.454 618 D HA 0.120 4.764 4.640 0.006 0.000 0.225 618 D C 1.646 177.943 176.300 -0.005 0.000 1.081 618 D CA -0.367 53.628 54.000 -0.009 0.000 0.864 618 D CB 1.052 41.840 40.800 -0.021 0.000 1.040 618 D HN 0.480 nan 8.370 nan 0.000 0.517 619 I N 3.155 123.727 120.570 0.003 0.000 2.151 619 I HA -0.313 3.860 4.170 0.006 0.000 0.243 619 I C 2.397 178.518 176.117 0.007 0.000 1.080 619 I CA 1.341 62.645 61.300 0.008 0.000 1.339 619 I CB -0.834 37.170 38.000 0.007 0.000 1.039 619 I HN 0.447 nan 8.210 nan 0.000 0.409 620 R N 1.143 121.644 120.500 0.003 0.000 2.115 620 R HA -0.144 4.200 4.340 0.006 0.000 0.230 620 R C 1.804 178.108 176.300 0.007 0.000 1.111 620 R CA 1.379 57.481 56.100 0.003 0.000 0.976 620 R CB -0.393 29.906 30.300 -0.002 0.000 0.870 620 R HN 0.200 nan 8.270 nan 0.000 0.445 621 E N 1.077 121.277 120.200 0.001 0.000 2.481 621 E HA 0.076 4.430 4.350 0.006 0.000 0.198 621 E C -0.529 176.077 176.600 0.011 0.000 1.027 621 E CA 0.004 56.407 56.400 0.005 0.000 0.900 621 E CB 0.213 29.905 29.700 -0.013 0.000 0.993 621 E HN 0.295 nan 8.360 nan 0.000 0.482 622 K N 1.223 121.627 120.400 0.006 0.000 3.077 622 K HA -0.174 4.150 4.320 0.006 0.000 0.264 622 K C -0.698 175.887 176.600 -0.025 0.000 1.008 622 K CA 0.766 57.057 56.287 0.007 0.000 0.740 622 K CB -1.107 31.409 32.500 0.027 0.000 1.273 622 K HN 0.180 nan 8.250 nan 0.000 0.477 623 E N 0.557 120.724 120.200 -0.055 0.000 2.212 623 E HA 0.468 4.822 4.350 0.006 0.000 0.270 623 E C -0.647 175.905 176.600 -0.081 0.000 0.956 623 E CA -1.024 55.301 56.400 -0.125 0.000 0.825 623 E CB 1.685 31.269 29.700 -0.194 0.000 1.167 623 E HN 0.047 nan 8.360 nan 0.000 0.400 624 L N 2.239 123.411 121.223 -0.085 0.000 2.529 624 L HA 0.298 4.642 4.340 0.006 0.000 0.260 624 L C -0.920 175.911 176.870 -0.066 0.000 0.997 624 L CA -0.311 54.501 54.840 -0.047 0.000 0.885 624 L CB 0.837 42.899 42.059 0.005 0.000 1.185 624 L HN 0.339 nan 8.230 nan 0.000 0.442 625 K N 4.515 124.839 120.400 -0.126 0.000 2.172 625 K HA 0.661 4.985 4.320 0.006 0.000 0.276 625 K C -1.033 175.409 176.600 -0.262 0.000 1.013 625 K CA -0.537 55.607 56.287 -0.237 0.000 0.913 625 K CB 1.835 34.158 32.500 -0.295 0.000 1.055 625 K HN 0.399 nan 8.250 nan 0.000 0.461 626 I N 3.502 123.844 120.570 -0.380 0.000 2.468 626 I HA 0.317 4.491 4.170 0.006 0.000 0.285 626 I C -1.021 174.881 176.117 -0.359 0.000 1.039 626 I CA -0.187 60.961 61.300 -0.254 0.000 1.074 626 I CB 0.980 38.906 38.000 -0.123 0.000 1.228 626 I HN 0.438 nan 8.210 nan 0.000 0.436 627 F N 3.599 123.564 119.950 0.025 0.000 2.508 627 F HA 0.564 5.095 4.527 0.006 0.000 0.325 627 F C 0.482 176.279 175.800 -0.005 0.000 1.090 627 F CA -0.507 57.505 58.000 0.019 0.000 0.945 627 F CB 2.360 41.371 39.000 0.019 0.000 1.156 627 F HN 0.293 nan 8.300 nan 0.000 0.463 628 T N -0.238 114.451 114.554 0.225 0.000 3.672 628 T HA 0.096 4.450 4.350 0.006 0.000 0.296 628 T C -0.884 173.867 174.700 0.085 0.000 0.979 628 T CA -0.484 61.676 62.100 0.100 0.000 1.013 628 T CB -0.315 68.582 68.868 0.049 0.000 1.184 628 T HN 0.339 nan 8.240 nan 0.000 0.477 629 D N 1.842 122.297 120.400 0.093 0.000 2.312 629 D HA 0.588 5.232 4.640 0.006 0.000 0.248 629 D C 0.037 176.352 176.300 0.025 0.000 1.086 629 D CA -0.468 53.558 54.000 0.043 0.000 0.948 629 D CB 1.145 41.938 40.800 -0.012 0.000 1.162 629 D HN 0.313 nan 8.370 nan 0.000 0.446 630 A N 1.550 124.381 122.820 0.018 0.000 2.922 630 A HA 0.562 4.886 4.320 0.006 0.000 0.298 630 A C 0.809 178.401 177.584 0.014 0.000 1.588 630 A CA 0.330 52.383 52.037 0.027 0.000 1.288 630 A CB -0.664 18.356 19.000 0.032 0.000 1.130 630 A HN 0.660 nan 8.150 nan 0.000 0.557 631 G N 1.393 110.204 108.800 0.018 0.000 3.290 631 G HA2 -0.067 3.896 3.960 0.006 0.000 0.220 631 G HA3 -0.067 3.896 3.960 0.006 0.000 0.220 631 G C 0.137 175.019 174.900 -0.029 0.000 0.940 631 G CA -0.841 44.253 45.100 -0.009 0.000 0.884 631 G HN 0.606 nan 8.290 nan 0.000 0.649 632 R N 0.833 121.344 120.500 0.017 0.000 2.401 632 R HA 0.438 4.781 4.340 0.006 0.000 0.299 632 R C 0.067 176.454 176.300 0.145 0.000 1.064 632 R CA -0.105 56.015 56.100 0.034 0.000 1.000 632 R CB 1.431 31.769 30.300 0.063 0.000 0.973 632 R HN 0.064 nan 8.270 nan 0.000 0.438 633 V N 5.576 125.542 119.914 0.088 0.000 2.432 633 V HA 0.292 4.416 4.120 0.006 0.000 0.275 633 V C -0.293 175.915 176.094 0.191 0.000 1.043 633 V CA -0.483 61.885 62.300 0.113 0.000 0.925 633 V CB 0.043 31.983 31.823 0.196 0.000 0.985 633 V HN 0.725 nan 8.190 nan 0.000 0.466 634 Y N 4.014 124.326 120.300 0.021 0.000 2.876 634 Y HA 0.945 5.499 4.550 0.006 0.000 0.317 634 Y C -0.159 175.670 175.900 -0.118 0.000 1.369 634 Y CA -1.506 56.581 58.100 -0.021 0.000 1.101 634 Y CB 1.449 39.899 38.460 -0.016 0.000 1.346 634 Y HN 0.613 nan 8.280 nan 0.000 0.505 635 R N -1.340 119.164 120.500 0.007 0.000 3.278 635 R HA 0.583 4.926 4.340 0.006 0.000 0.256 635 R C -2.813 173.353 176.300 -0.224 0.000 1.230 635 R CA -1.686 54.294 56.100 -0.200 0.000 1.006 635 R CB 0.228 30.452 30.300 -0.127 0.000 1.440 635 R HN 0.407 nan 8.270 nan 0.000 0.449 636 P HA -0.137 nan 4.420 nan 0.000 0.266 636 P C -0.100 177.237 177.300 0.061 0.000 1.612 636 P CA 0.706 63.751 63.100 -0.091 0.000 1.288 636 P CB -0.035 31.575 31.700 -0.151 0.000 0.789 637 L N -6.012 115.224 121.223 0.023 0.000 2.461 637 L HA 0.541 4.884 4.340 0.006 0.000 0.242 637 L C 0.161 176.994 176.870 -0.061 0.000 1.143 637 L CA -1.002 53.813 54.840 -0.043 0.000 0.984 637 L CB -0.559 41.521 42.059 0.035 0.000 1.573 637 L HN -0.029 nan 8.230 nan 0.000 0.404 638 F N 0.534 120.517 119.950 0.054 0.000 2.485 638 F HA 0.477 5.008 4.527 0.006 0.000 0.327 638 F C 0.381 176.218 175.800 0.062 0.000 1.203 638 F CA 0.232 58.255 58.000 0.038 0.000 1.295 638 F CB 0.512 39.534 39.000 0.036 0.000 1.191 638 F HN 0.176 nan 8.300 nan 0.000 0.588 639 I N 1.700 122.453 120.570 0.304 0.000 2.569 639 I HA 0.444 4.617 4.170 0.006 0.000 0.296 639 I C -1.088 175.125 176.117 0.160 0.000 1.028 639 I CA -0.951 60.482 61.300 0.222 0.000 1.082 639 I CB 1.923 39.996 38.000 0.122 0.000 1.264 639 I HN 0.096 nan 8.210 nan 0.000 0.429 640 V N 4.469 124.474 119.914 0.152 0.000 2.680 640 V HA 0.505 4.628 4.120 0.006 0.000 0.309 640 V C -0.543 175.596 176.094 0.075 0.000 1.052 640 V CA -0.479 61.868 62.300 0.079 0.000 0.908 640 V CB 2.137 34.000 31.823 0.066 0.000 1.001 640 V HN 0.785 nan 8.190 nan 0.000 0.431 641 E N 1.519 121.742 120.200 0.040 0.000 2.356 641 E HA 0.364 4.718 4.350 0.006 0.000 0.275 641 E C -1.163 175.442 176.600 0.008 0.000 0.904 641 E CA -0.633 55.786 56.400 0.033 0.000 0.757 641 E CB 1.847 31.566 29.700 0.031 0.000 1.232 641 E HN 0.851 nan 8.360 nan 0.000 0.442 642 D N 2.037 122.445 120.400 0.014 0.000 2.856 642 D HA 0.049 4.693 4.640 0.006 0.000 0.242 642 D C -0.624 175.673 176.300 -0.005 0.000 1.226 642 D CA -0.109 53.892 54.000 0.002 0.000 0.855 642 D CB -0.012 40.803 40.800 0.026 0.000 1.065 642 D HN 0.137 nan 8.370 nan 0.000 0.462 643 D N 0.552 120.943 120.400 -0.014 0.000 2.461 643 D HA 0.237 4.881 4.640 0.006 0.000 0.240 643 D C -0.865 175.422 176.300 -0.021 0.000 1.094 643 D CA -0.372 53.624 54.000 -0.008 0.000 0.868 643 D CB 0.557 41.359 40.800 0.004 0.000 1.062 643 D HN -0.050 nan 8.370 nan 0.000 0.530 644 E N 1.779 121.966 120.200 -0.023 0.000 2.292 644 E HA 0.114 4.467 4.350 0.006 0.000 0.272 644 E C 0.272 176.872 176.600 0.001 0.000 0.881 644 E CA -0.430 55.958 56.400 -0.020 0.000 0.754 644 E CB 2.108 31.778 29.700 -0.050 0.000 1.201 644 E HN 0.266 nan 8.360 nan 0.000 0.425 645 S N 2.252 117.956 115.700 0.006 0.000 2.365 645 S HA -0.070 4.404 4.470 0.006 0.000 0.225 645 S C 0.876 175.487 174.600 0.018 0.000 1.039 645 S CA 1.188 59.396 58.200 0.013 0.000 1.033 645 S CB 0.114 63.321 63.200 0.011 0.000 0.887 645 S HN 0.412 nan 8.310 nan 0.000 0.447 646 L N 0.912 122.147 121.223 0.021 0.000 2.384 646 L HA 0.624 4.967 4.340 0.006 0.000 0.261 646 L C 0.152 177.050 176.870 0.047 0.000 1.024 646 L CA -0.252 54.608 54.840 0.033 0.000 0.899 646 L CB 1.098 43.175 42.059 0.030 0.000 1.243 646 L HN 0.410 nan 8.230 nan 0.000 0.449 647 G N 0.139 108.976 108.800 0.062 0.000 2.428 647 G HA2 0.233 4.196 3.960 0.006 0.000 0.305 647 G HA3 0.233 4.196 3.960 0.006 0.000 0.305 647 G C -0.465 174.518 174.900 0.139 0.000 1.260 647 G CA -0.008 45.152 45.100 0.101 0.000 0.853 647 G HN 0.396 nan 8.290 nan 0.000 0.480 648 H N -0.825 118.257 119.070 0.019 0.000 2.074 648 H HA 0.491 5.051 4.556 0.006 0.000 0.198 648 H C 0.024 175.369 175.328 0.028 0.000 0.938 648 H CA 0.367 56.429 56.048 0.022 0.000 1.125 648 H CB 1.360 31.136 29.762 0.024 0.000 1.195 648 H HN 0.432 nan 8.280 nan 0.000 0.430 649 K N 0.300 120.492 120.400 -0.347 0.000 2.610 649 K HA 0.306 4.630 4.320 0.006 0.000 0.274 649 K C -1.689 174.771 176.600 -0.234 0.000 1.049 649 K CA -0.025 56.190 56.287 -0.120 0.000 0.945 649 K CB 2.810 35.373 32.500 0.105 0.000 1.313 649 K HN 0.366 nan 8.250 nan 0.000 0.463 650 E N 2.245 122.345 120.200 -0.166 0.000 2.458 650 E HA 0.387 4.740 4.350 0.006 0.000 0.278 650 E C -1.346 175.207 176.600 -0.078 0.000 1.004 650 E CA -0.865 55.443 56.400 -0.153 0.000 0.823 650 E CB 1.537 31.107 29.700 -0.217 0.000 1.396 650 E HN 0.384 nan 8.360 nan 0.000 0.463 651 L N 2.435 123.606 121.223 -0.087 0.000 2.433 651 L HA 0.169 4.513 4.340 0.006 0.000 0.275 651 L C 0.891 177.737 176.870 -0.039 0.000 1.128 651 L CA 0.393 55.185 54.840 -0.081 0.000 0.875 651 L CB 0.336 42.293 42.059 -0.169 0.000 1.171 651 L HN 0.492 nan 8.230 nan 0.000 0.463 652 K N 2.607 123.007 120.400 -0.000 0.000 2.643 652 K HA 0.042 4.365 4.320 0.006 0.000 0.193 652 K C -0.501 176.115 176.600 0.026 0.000 1.027 652 K CA 0.128 56.424 56.287 0.016 0.000 1.033 652 K CB -0.103 32.410 32.500 0.022 0.000 0.827 652 K HN 0.361 nan 8.250 nan 0.000 0.500 653 V N 1.294 121.226 119.914 0.030 0.000 2.628 653 V HA 0.404 4.527 4.120 0.006 0.000 0.306 653 V C -0.027 176.123 176.094 0.095 0.000 1.045 653 V CA -1.096 61.249 62.300 0.076 0.000 0.905 653 V CB 1.962 33.865 31.823 0.133 0.000 0.997 653 V HN 0.077 nan 8.190 nan 0.000 0.436 654 R N 1.666 122.300 120.500 0.224 0.000 2.912 654 R HA 0.497 4.841 4.340 0.006 0.000 0.262 654 R C 0.617 176.992 176.300 0.125 0.000 1.057 654 R CA -1.006 55.182 56.100 0.147 0.000 0.981 654 R CB 1.369 31.746 30.300 0.129 0.000 1.201 654 R HN 0.639 nan 8.270 nan 0.000 0.484 655 K N 0.521 120.955 120.400 0.057 0.000 2.211 655 K HA -0.040 4.283 4.320 0.006 0.000 0.203 655 K C 1.690 178.304 176.600 0.023 0.000 1.050 655 K CA 1.662 57.980 56.287 0.052 0.000 0.945 655 K CB -0.373 32.146 32.500 0.032 0.000 0.732 655 K HN 0.769 nan 8.250 nan 0.000 0.451 656 G N -0.515 108.259 108.800 -0.044 0.000 2.470 656 G HA2 -0.214 3.750 3.960 0.006 0.000 0.220 656 G HA3 -0.214 3.750 3.960 0.006 0.000 0.220 656 G C 1.106 175.895 174.900 -0.185 0.000 1.121 656 G CA 0.606 45.624 45.100 -0.136 0.000 0.766 656 G HN 0.343 nan 8.290 nan 0.000 0.553 657 H N -0.420 118.648 119.070 -0.003 0.000 2.482 657 H HA 0.211 4.771 4.556 0.006 0.000 0.286 657 H C 2.449 177.824 175.328 0.078 0.000 1.017 657 H CA 0.309 56.359 56.048 0.003 0.000 1.322 657 H CB 0.372 30.178 29.762 0.073 0.000 1.426 657 H HN 0.346 nan 8.280 nan 0.000 0.546 658 I N 0.452 121.145 120.570 0.205 0.000 2.333 658 I HA -0.125 4.048 4.170 0.006 0.000 0.246 658 I C 2.563 178.774 176.117 0.157 0.000 1.106 658 I CA 0.696 62.122 61.300 0.211 0.000 1.411 658 I CB -0.021 38.101 38.000 0.203 0.000 1.082 658 I HN 0.099 nan 8.210 nan 0.000 0.420 659 A N 0.458 123.329 122.820 0.086 0.000 2.019 659 A HA -0.216 4.108 4.320 0.006 0.000 0.219 659 A C 2.175 179.784 177.584 0.042 0.000 1.164 659 A CA 1.496 53.564 52.037 0.051 0.000 0.644 659 A CB -0.398 18.604 19.000 0.004 0.000 0.805 659 A HN 0.316 nan 8.150 nan 0.000 0.449 660 K N -0.602 119.807 120.400 0.015 0.000 2.288 660 K HA 0.116 4.439 4.320 0.006 0.000 0.201 660 K C 1.488 178.178 176.600 0.150 0.000 1.048 660 K CA 0.712 56.986 56.287 -0.022 0.000 0.956 660 K CB -0.178 32.159 32.500 -0.271 0.000 0.746 660 K HN 0.477 nan 8.250 nan 0.000 0.461 661 L N 0.030 121.402 121.223 0.249 0.000 2.209 661 L HA 0.005 4.349 4.340 0.006 0.000 0.207 661 L C 2.236 179.243 176.870 0.229 0.000 1.094 661 L CA 0.727 55.756 54.840 0.315 0.000 0.790 661 L CB -0.162 42.101 42.059 0.339 0.000 0.932 661 L HN 0.169 nan 8.230 nan 0.000 0.447 662 M N -0.591 119.120 119.600 0.184 0.000 2.394 662 M HA -0.099 4.385 4.480 0.006 0.000 0.264 662 M C 2.432 178.822 176.300 0.150 0.000 1.073 662 M CA 1.168 56.564 55.300 0.160 0.000 1.111 662 M CB -0.394 32.282 32.600 0.126 0.000 1.401 662 M HN 0.329 nan 8.290 nan 0.000 0.448 663 A N 0.377 123.272 122.820 0.124 0.000 1.902 663 A HA -0.148 4.176 4.320 0.006 0.000 0.217 663 A C 2.170 179.862 177.584 0.180 0.000 1.181 663 A CA 2.242 54.349 52.037 0.117 0.000 0.623 663 A CB -1.074 17.973 19.000 0.077 0.000 0.818 663 A HN 0.416 nan 8.150 nan 0.000 0.443 664 T N 0.064 114.724 114.554 0.177 0.000 2.746 664 T HA -0.153 4.200 4.350 0.006 0.000 0.267 664 T C 1.759 176.551 174.700 0.154 0.000 1.039 664 T CA 1.812 64.011 62.100 0.164 0.000 1.142 664 T CB -0.265 68.705 68.868 0.169 0.000 0.866 664 T HN 0.685 nan 8.240 nan 0.000 0.444 665 E N -0.144 120.157 120.200 0.168 0.000 2.072 665 E HA -0.088 4.265 4.350 0.006 0.000 0.190 665 E C 1.899 178.585 176.600 0.143 0.000 0.982 665 E CA 0.727 57.212 56.400 0.142 0.000 0.803 665 E CB -0.284 29.504 29.700 0.147 0.000 0.755 665 E HN 0.533 nan 8.360 nan 0.000 0.453 666 Y N 1.799 122.131 120.300 0.055 0.000 2.102 666 Y HA -0.264 4.289 4.550 0.006 0.000 0.280 666 Y C 1.338 177.257 175.900 0.033 0.000 1.178 666 Y CA 1.622 59.746 58.100 0.040 0.000 1.146 666 Y CB 0.087 38.571 38.460 0.041 0.000 0.968 666 Y HN -0.064 nan 8.280 nan 0.000 0.504 667 Q N 2.114 121.978 119.800 0.108 0.000 3.006 667 Q HA 0.162 4.506 4.340 0.006 0.000 0.260 667 Q C -1.377 174.626 176.000 0.005 0.000 1.356 667 Q CA -0.215 55.598 55.803 0.017 0.000 1.070 667 Q CB -0.195 28.602 28.738 0.099 0.000 1.507 667 Q HN 0.398 nan 8.270 nan 0.000 0.568 679 Y N 2.420 122.764 120.300 0.074 0.000 2.488 679 Y HA 0.476 5.030 4.550 0.006 0.000 0.330 679 Y C -0.449 175.515 175.900 0.106 0.000 1.013 679 Y CA -0.074 58.075 58.100 0.081 0.000 1.304 679 Y CB 1.361 39.872 38.460 0.085 0.000 1.098 679 Y HN 0.219 nan 8.280 nan 0.000 0.498 680 T N 0.814 115.265 114.554 -0.171 0.000 2.572 680 T HA 0.098 4.452 4.350 0.006 0.000 0.244 680 T C 0.848 175.513 174.700 -0.059 0.000 0.860 680 T CA -0.550 61.538 62.100 -0.020 0.000 1.125 680 T CB 0.456 69.367 68.868 0.072 0.000 1.491 680 T HN 0.686 nan 8.240 nan 0.000 0.532 681 W N 0.884 122.121 121.300 -0.104 0.000 2.352 681 W HA -0.189 4.475 4.660 0.006 0.000 0.322 681 W C 2.570 179.020 176.519 -0.116 0.000 1.208 681 W CA 2.132 59.436 57.345 -0.069 0.000 1.286 681 W CB -0.639 28.802 29.460 -0.030 0.000 1.167 681 W HN 0.642 nan 8.180 nan 0.000 0.469 682 S N 0.510 116.201 115.700 -0.015 0.000 2.400 682 S HA -0.301 4.173 4.470 0.006 0.000 0.234 682 S C 2.087 176.520 174.600 -0.279 0.000 1.049 682 S CA 2.780 60.890 58.200 -0.151 0.000 1.039 682 S CB -0.747 62.416 63.200 -0.061 0.000 0.856 682 S HN 0.452 nan 8.310 nan 0.000 0.465 683 S N 0.539 116.047 115.700 -0.321 0.000 2.428 683 S HA 0.068 4.542 4.470 0.006 0.000 0.230 683 S C 1.812 176.155 174.600 -0.430 0.000 1.014 683 S CA 0.856 58.813 58.200 -0.404 0.000 0.957 683 S CB -0.549 62.266 63.200 -0.642 0.000 0.784 683 S HN 0.552 nan 8.310 nan 0.000 0.499 684 L N 0.470 121.402 121.223 -0.484 0.000 1.988 684 L HA 0.040 4.384 4.340 0.006 0.000 0.207 684 L C 2.608 179.241 176.870 -0.395 0.000 1.071 684 L CA 1.317 55.914 54.840 -0.404 0.000 0.744 684 L CB -0.739 41.026 42.059 -0.491 0.000 0.893 684 L HN 0.365 nan 8.230 nan 0.000 0.433 685 L N -0.143 120.758 121.223 -0.536 0.000 2.261 685 L HA -0.181 4.162 4.340 0.006 0.000 0.216 685 L C 1.991 178.668 176.870 -0.322 0.000 1.114 685 L CA 1.737 56.300 54.840 -0.462 0.000 0.777 685 L CB -0.669 41.029 42.059 -0.602 0.000 0.910 685 L HN 0.260 nan 8.230 nan 0.000 0.440 686 N N -0.164 118.369 118.700 -0.278 0.000 2.395 686 N HA -0.050 4.694 4.740 0.006 0.000 0.175 686 N C 1.219 176.644 175.510 -0.141 0.000 1.029 686 N CA 0.948 53.881 53.050 -0.194 0.000 0.897 686 N CB 0.077 38.465 38.487 -0.166 0.000 0.991 686 N HN 0.592 nan 8.380 nan 0.000 0.441 687 E N 0.128 120.247 120.200 -0.135 0.000 2.465 687 E HA 0.152 4.506 4.350 0.006 0.000 0.191 687 E C 0.039 176.579 176.600 -0.100 0.000 1.053 687 E CA -0.239 56.113 56.400 -0.079 0.000 0.869 687 E CB 0.216 29.905 29.700 -0.019 0.000 0.977 687 E HN 0.257 nan 8.360 nan 0.000 0.483 688 G N 1.732 110.453 108.800 -0.132 0.000 2.368 688 G HA2 -0.241 3.723 3.960 0.006 0.000 0.290 688 G HA3 -0.241 3.723 3.960 0.006 0.000 0.290 688 G C 0.375 175.211 174.900 -0.107 0.000 1.098 688 G CA 0.182 45.212 45.100 -0.117 0.000 1.073 688 G HN 0.293 nan 8.290 nan 0.000 0.511 689 L N -2.011 119.128 121.223 -0.139 0.000 2.902 689 L HA 0.414 4.758 4.340 0.006 0.000 0.254 689 L C 0.359 177.183 176.870 -0.077 0.000 1.115 689 L CA -0.053 54.729 54.840 -0.097 0.000 0.947 689 L CB 0.799 42.779 42.059 -0.131 0.000 1.369 689 L HN 0.158 nan 8.230 nan 0.000 0.538 690 V N 0.441 120.244 119.914 -0.185 0.000 2.610 690 V HA 0.315 4.439 4.120 0.006 0.000 0.298 690 V C -0.697 175.279 176.094 -0.198 0.000 1.067 690 V CA -0.635 61.536 62.300 -0.215 0.000 0.894 690 V CB 2.495 34.053 31.823 -0.443 0.000 1.015 690 V HN 0.086 nan 8.190 nan 0.000 0.432 691 E N 2.505 122.631 120.200 -0.123 0.000 2.250 691 E HA 0.527 4.880 4.350 0.006 0.000 0.265 691 E C -1.403 175.272 176.600 0.124 0.000 1.033 691 E CA -0.772 55.568 56.400 -0.099 0.000 0.888 691 E CB 2.069 31.664 29.700 -0.176 0.000 1.151 691 E HN 0.654 nan 8.360 nan 0.000 0.412 692 Y N 1.563 121.795 120.300 -0.113 0.000 2.328 692 Y HA 0.299 4.853 4.550 0.006 0.000 0.337 692 Y C -0.094 175.774 175.900 -0.054 0.000 1.008 692 Y CA -1.070 57.007 58.100 -0.037 0.000 1.129 692 Y CB 0.961 39.342 38.460 -0.131 0.000 1.185 692 Y HN 0.159 nan 8.280 nan 0.000 0.476 693 I N 4.876 125.537 120.570 0.151 0.000 2.439 693 I HA 0.114 4.287 4.170 0.006 0.000 0.285 693 I C -0.305 175.923 176.117 0.185 0.000 1.021 693 I CA -0.846 60.525 61.300 0.119 0.000 1.091 693 I CB 1.283 39.336 38.000 0.090 0.000 1.242 693 I HN 0.686 nan 8.210 nan 0.000 0.439 694 D N 5.227 125.736 120.400 0.182 0.000 2.432 694 D HA 0.354 4.998 4.640 0.006 0.000 0.258 694 D C 0.839 177.253 176.300 0.190 0.000 1.146 694 D CA -0.488 53.638 54.000 0.210 0.000 1.015 694 D CB 2.053 42.973 40.800 0.199 0.000 1.107 694 D HN 0.425 nan 8.370 nan 0.000 0.529 695 A N 0.270 123.216 122.820 0.210 0.000 1.940 695 A HA -0.229 4.094 4.320 0.006 0.000 0.219 695 A C 2.026 179.760 177.584 0.250 0.000 1.176 695 A CA 2.071 54.257 52.037 0.248 0.000 0.631 695 A CB -0.805 18.389 19.000 0.323 0.000 0.814 695 A HN 0.726 nan 8.150 nan 0.000 0.446 696 E N 0.046 120.348 120.200 0.168 0.000 2.017 696 E HA -0.208 4.145 4.350 0.006 0.000 0.193 696 E C 1.997 178.680 176.600 0.140 0.000 0.997 696 E CA 1.785 58.257 56.400 0.118 0.000 0.804 696 E CB -0.290 29.464 29.700 0.091 0.000 0.757 696 E HN 0.681 nan 8.360 nan 0.000 0.448 697 E N -0.059 120.227 120.200 0.143 0.000 2.150 697 E HA -0.225 4.128 4.350 0.006 0.000 0.193 697 E C 1.925 178.611 176.600 0.143 0.000 0.985 697 E CA 0.877 57.355 56.400 0.130 0.000 0.814 697 E CB -0.072 29.699 29.700 0.117 0.000 0.752 697 E HN 0.348 nan 8.360 nan 0.000 0.466 698 E N 0.405 120.701 120.200 0.161 0.000 2.171 698 E HA -0.253 4.100 4.350 0.006 0.000 0.197 698 E C 1.863 178.538 176.600 0.125 0.000 0.997 698 E CA 0.992 57.489 56.400 0.161 0.000 0.810 698 E CB 0.120 29.920 29.700 0.167 0.000 0.738 698 E HN 0.196 nan 8.360 nan 0.000 0.467 699 E N 0.254 120.533 120.200 0.131 0.000 2.086 699 E HA -0.173 4.180 4.350 0.006 0.000 0.200 699 E C 1.551 178.187 176.600 0.060 0.000 1.012 699 E CA 1.593 58.056 56.400 0.105 0.000 0.812 699 E CB -0.203 29.573 29.700 0.128 0.000 0.743 699 E HN 0.256 nan 8.360 nan 0.000 0.453 700 S N 0.680 116.417 115.700 0.062 0.000 2.596 700 S HA 0.263 4.737 4.470 0.006 0.000 0.248 700 S C 0.618 175.232 174.600 0.023 0.000 1.162 700 S CA -0.608 57.612 58.200 0.034 0.000 1.185 700 S CB -0.374 62.846 63.200 0.033 0.000 0.833 700 S HN 0.226 nan 8.310 nan 0.000 0.472 701 I N -1.233 119.347 120.570 0.017 0.000 3.042 701 I HA 0.726 4.900 4.170 0.006 0.000 0.310 701 I C -1.879 174.199 176.117 -0.064 0.000 1.117 701 I CA -1.596 59.684 61.300 -0.034 0.000 1.003 701 I CB 1.935 39.957 38.000 0.036 0.000 1.228 701 I HN 0.206 nan 8.210 nan 0.000 0.443 702 L N 4.902 126.057 121.223 -0.114 0.000 2.341 702 L HA 0.632 4.976 4.340 0.006 0.000 0.278 702 L C -0.935 175.994 176.870 0.098 0.000 1.005 702 L CA -0.270 54.543 54.840 -0.046 0.000 0.818 702 L CB 1.506 43.478 42.059 -0.145 0.000 1.259 702 L HN 0.523 nan 8.230 nan 0.000 0.418 703 I N 3.957 124.642 120.570 0.192 0.000 2.466 703 I HA 0.624 4.798 4.170 0.006 0.000 0.289 703 I C -0.249 175.987 176.117 0.198 0.000 1.026 703 I CA -0.659 60.758 61.300 0.195 0.000 1.078 703 I CB 2.008 40.079 38.000 0.118 0.000 1.249 703 I HN 0.690 nan 8.210 nan 0.000 0.429 704 A N 5.144 127.898 122.820 -0.110 0.000 2.303 704 A HA 0.536 4.859 4.320 0.006 0.000 0.317 704 A C 0.563 178.044 177.584 -0.171 0.000 1.149 704 A CA -0.489 51.301 52.037 -0.412 0.000 0.822 704 A CB 1.155 19.472 19.000 -1.138 0.000 1.131 704 A HN 0.780 nan 8.150 nan 0.000 0.493 705 M N 0.664 120.183 119.600 -0.134 0.000 2.697 705 M HA -0.066 4.418 4.480 0.006 0.000 0.276 705 M C 0.463 176.729 176.300 -0.056 0.000 1.078 705 M CA 2.192 57.452 55.300 -0.065 0.000 1.079 705 M CB -0.756 31.805 32.600 -0.066 0.000 1.207 705 M HN 0.739 nan 8.290 nan 0.000 0.506 706 Q N 0.111 119.865 119.800 -0.076 0.000 2.432 706 Q HA -0.129 4.215 4.340 0.006 0.000 0.349 706 Q C -2.180 173.757 176.000 -0.105 0.000 1.441 706 Q CA 0.630 56.393 55.803 -0.067 0.000 0.926 706 Q CB -1.715 26.990 28.738 -0.054 0.000 1.124 706 Q HN 0.392 nan 8.270 nan 0.000 0.331 707 P HA 0.174 nan 4.420 nan 0.000 0.211 707 P C 0.301 177.507 177.300 -0.156 0.000 1.833 707 P CA 0.482 63.485 63.100 -0.161 0.000 0.938 707 P CB 0.249 31.843 31.700 -0.176 0.000 1.808 708 E N -0.608 119.518 120.200 -0.124 0.000 1.947 708 E HA -0.066 4.288 4.350 0.006 0.000 0.185 708 E C -0.056 176.514 176.600 -0.049 0.000 0.897 708 E CA 0.203 56.559 56.400 -0.073 0.000 1.263 708 E CB -0.450 29.229 29.700 -0.036 0.000 3.058 708 E HN -0.051 nan 8.360 nan 0.000 0.782 709 D N 0.530 120.888 120.400 -0.070 0.000 2.162 709 D HA 0.183 4.826 4.640 0.006 0.000 0.205 709 D C 1.267 177.561 176.300 -0.010 0.000 0.964 709 D CA 1.836 55.816 54.000 -0.033 0.000 0.847 709 D CB 0.501 41.283 40.800 -0.030 0.000 0.988 709 D HN 0.245 nan 8.370 nan 0.000 0.480 710 L N -1.326 119.892 121.223 -0.008 0.000 4.461 710 L HA -0.237 4.107 4.340 0.006 0.000 0.399 710 L C 0.643 177.408 176.870 -0.176 0.000 0.913 710 L CA 0.891 55.668 54.840 -0.104 0.000 1.652 710 L CB -1.371 40.566 42.059 -0.203 0.000 1.831 710 L HN 0.409 nan 8.230 nan 0.000 0.559 711 E N -2.659 117.523 120.200 -0.030 0.000 1.898 711 E HA 0.114 4.468 4.350 0.006 0.000 0.203 711 E C -2.152 174.526 176.600 0.130 0.000 1.004 711 E CA 0.102 56.523 56.400 0.035 0.000 1.292 711 E CB -0.077 29.596 29.700 -0.046 0.000 3.886 711 E HN 0.329 nan 8.360 nan 0.000 0.918 712 P HA 0.486 nan 4.420 nan 0.000 0.344 712 P C -0.465 176.849 177.300 0.024 0.000 1.321 712 P CA -0.100 63.054 63.100 0.091 0.000 0.773 712 P CB 0.444 32.173 31.700 0.049 0.000 1.723 713 A N -1.026 121.784 122.820 -0.016 0.000 2.311 713 A HA 0.568 4.892 4.320 0.006 0.000 0.334 713 A C 0.081 177.651 177.584 -0.022 0.000 1.139 713 A CA -0.502 51.501 52.037 -0.058 0.000 0.830 713 A CB 0.625 19.572 19.000 -0.089 0.000 1.234 713 A HN 0.441 nan 8.150 nan 0.000 0.483 723 V N -0.739 119.187 119.914 0.019 0.000 2.823 723 V HA 0.644 4.768 4.120 0.006 0.000 0.312 723 V C -0.638 175.471 176.094 0.024 0.000 1.072 723 V CA -0.900 61.413 62.300 0.023 0.000 0.937 723 V CB 2.465 34.301 31.823 0.022 0.000 1.013 723 V HN 0.053 nan 8.190 nan 0.000 0.430 724 D N 4.760 125.177 120.400 0.028 0.000 2.317 724 D HA 0.314 4.958 4.640 0.006 0.000 0.252 724 D C -1.270 175.047 176.300 0.029 0.000 1.174 724 D CA -1.365 52.653 54.000 0.030 0.000 0.866 724 D CB 2.263 43.084 40.800 0.036 0.000 1.127 724 D HN 0.529 nan 8.370 nan 0.000 0.467 725 P HA -0.064 nan 4.420 nan 0.000 0.219 725 P C 0.938 178.253 177.300 0.024 0.000 1.150 725 P CA 0.512 63.625 63.100 0.022 0.000 0.814 725 P CB 0.275 31.986 31.700 0.018 0.000 0.787 726 A N -0.008 122.829 122.820 0.029 0.000 2.014 726 A HA -0.044 4.280 4.320 0.006 0.000 0.218 726 A C 1.393 179.001 177.584 0.040 0.000 1.163 726 A CA 0.607 52.663 52.037 0.031 0.000 0.652 726 A CB -0.712 18.308 19.000 0.032 0.000 0.808 726 A HN 0.180 nan 8.150 nan 0.000 0.449 727 K N 0.646 121.073 120.400 0.044 0.000 2.230 727 K HA 0.188 4.512 4.320 0.006 0.000 0.253 727 K C 0.311 176.939 176.600 0.047 0.000 1.008 727 K CA -0.321 55.999 56.287 0.055 0.000 0.910 727 K CB 0.358 32.893 32.500 0.058 0.000 0.994 727 K HN 0.541 nan 8.250 nan 0.000 0.495 728 R N 0.783 121.315 120.500 0.053 0.000 2.822 728 R HA 0.210 4.554 4.340 0.006 0.000 0.277 728 R C -0.014 176.305 176.300 0.032 0.000 1.102 728 R CA -0.465 55.657 56.100 0.037 0.000 1.207 728 R CB 0.061 30.386 30.300 0.042 0.000 1.139 728 R HN 0.321 nan 8.270 nan 0.000 0.557 729 I N 1.133 121.716 120.570 0.021 0.000 2.328 729 I HA 0.340 4.514 4.170 0.006 0.000 0.287 729 I C 0.095 176.221 176.117 0.015 0.000 1.012 729 I CA -0.577 60.733 61.300 0.016 0.000 1.195 729 I CB 0.992 38.998 38.000 0.009 0.000 1.350 729 I HN 0.610 nan 8.210 nan 0.000 0.464 730 R N 4.015 124.525 120.500 0.017 0.000 2.589 730 R HA 0.581 4.925 4.340 0.006 0.000 0.293 730 R C 0.466 176.771 176.300 0.009 0.000 0.963 730 R CA -0.507 55.601 56.100 0.013 0.000 0.905 730 R CB 2.222 32.534 30.300 0.020 0.000 1.144 730 R HN 0.423 nan 8.270 nan 0.000 0.459 731 V N 0.983 120.899 119.914 0.003 0.000 2.239 731 V HA 0.055 4.178 4.120 0.006 0.000 0.236 731 V C 0.396 176.496 176.094 0.010 0.000 1.040 731 V CA 1.096 63.397 62.300 0.001 0.000 0.996 731 V CB -0.213 31.606 31.823 -0.008 0.000 0.640 731 V HN 0.766 nan 8.190 nan 0.000 0.456 736 T N -0.602 113.846 114.554 -0.176 0.000 3.795 736 T HA -0.167 4.187 4.350 0.006 0.000 0.370 736 T C 0.290 174.920 174.700 -0.117 0.000 0.761 736 T CA 1.793 63.860 62.100 -0.056 0.000 1.923 736 T CB -2.669 66.214 68.868 0.025 0.000 1.795 736 T HN 1.965 nan 8.240 nan 0.000 0.762 737 T N -0.043 114.332 114.554 -0.299 0.000 4.130 737 T HA 0.488 4.842 4.350 0.006 0.000 0.262 737 T C -0.240 174.306 174.700 -0.258 0.000 0.951 737 T CA -0.744 61.230 62.100 -0.210 0.000 1.180 737 T CB -0.366 68.395 68.868 -0.178 0.000 1.009 737 T HN 0.418 nan 8.240 nan 0.000 0.536 738 F N 1.818 121.742 119.950 -0.043 0.000 2.429 738 F HA 0.323 4.854 4.527 0.006 0.000 0.348 738 F C 2.179 177.919 175.800 -0.101 0.000 1.109 738 F CA 0.081 58.040 58.000 -0.070 0.000 1.232 738 F CB 1.499 40.473 39.000 -0.044 0.000 1.157 738 F HN 0.312 nan 8.300 nan 0.000 0.564 739 T N -1.246 113.307 114.554 -0.001 0.000 2.980 739 T HA 0.172 4.525 4.350 0.006 0.000 0.239 739 T C -0.289 174.306 174.700 -0.174 0.000 1.011 739 T CA 0.415 62.382 62.100 -0.222 0.000 1.171 739 T CB -0.232 68.276 68.868 -0.601 0.000 0.873 739 T HN 0.629 nan 8.240 nan 0.000 0.431 740 H N -1.623 117.534 119.070 0.144 0.000 3.046 740 H HA 0.688 5.247 4.556 0.006 0.000 0.361 740 H C -1.353 174.042 175.328 0.111 0.000 1.235 740 H CA -1.272 54.848 56.048 0.120 0.000 1.146 740 H CB 0.564 30.394 29.762 0.113 0.000 1.859 740 H HN 0.223 nan 8.280 nan 0.000 0.548 741 C N 1.374 120.817 119.300 0.239 0.000 2.459 741 C HA 0.347 4.810 4.460 0.006 0.000 0.374 741 C C 0.620 175.750 174.990 0.232 0.000 1.241 741 C CA 0.099 59.207 59.018 0.149 0.000 2.352 741 C CB 0.258 28.049 27.740 0.084 0.000 2.490 741 C HN 0.885 nan 8.230 nan 0.000 0.583 742 E N 1.875 122.171 120.200 0.159 0.000 2.354 742 E HA 0.202 4.555 4.350 0.006 0.000 0.269 742 E C 0.875 177.603 176.600 0.213 0.000 1.036 742 E CA -0.169 56.328 56.400 0.162 0.000 0.876 742 E CB 0.388 30.171 29.700 0.138 0.000 1.009 742 E HN 0.414 nan 8.360 nan 0.000 0.416 743 I N 2.262 122.922 120.570 0.151 0.000 2.072 743 I HA -0.123 4.050 4.170 0.006 0.000 0.235 743 I C 0.757 176.971 176.117 0.162 0.000 1.058 743 I CA 1.537 62.939 61.300 0.171 0.000 1.320 743 I CB -0.967 36.944 38.000 -0.148 0.000 1.047 743 I HN 0.650 nan 8.210 nan 0.000 0.397 744 H N 0.154 119.152 119.070 -0.120 0.000 3.087 744 H HA 0.225 4.785 4.556 0.006 0.000 0.348 744 H C -2.159 173.105 175.328 -0.106 0.000 1.092 744 H CA -1.045 54.906 56.048 -0.161 0.000 1.285 744 H CB 2.062 31.554 29.762 -0.451 0.000 1.875 744 H HN -0.271 nan 8.280 nan 0.000 0.512 745 P HA -0.325 nan 4.420 nan 0.000 0.216 745 P C 1.540 178.851 177.300 0.017 0.000 1.167 745 P CA 2.781 65.740 63.100 -0.235 0.000 0.933 745 P CB -0.202 31.277 31.700 -0.368 0.000 0.793 746 S N -0.999 114.929 115.700 0.381 0.000 2.434 746 S HA -0.210 4.264 4.470 0.006 0.000 0.243 746 S C 1.656 176.335 174.600 0.132 0.000 1.045 746 S CA 1.518 59.966 58.200 0.414 0.000 1.019 746 S CB -1.332 62.140 63.200 0.453 0.000 0.811 746 S HN 0.007 nan 8.310 nan 0.000 0.485 747 M N 1.641 121.248 119.600 0.010 0.000 2.747 747 M HA 0.210 4.694 4.480 0.006 0.000 0.221 747 M C 1.518 177.689 176.300 -0.215 0.000 1.107 747 M CA 0.194 55.425 55.300 -0.114 0.000 1.031 747 M CB -1.427 31.057 32.600 -0.193 0.000 1.727 747 M HN 0.686 nan 8.290 nan 0.000 0.517 748 I N -2.912 117.500 120.570 -0.263 0.000 3.226 748 I HA 0.072 4.246 4.170 0.006 0.000 0.277 748 I C 0.778 176.745 176.117 -0.250 0.000 1.243 748 I CA 0.230 61.272 61.300 -0.430 0.000 1.459 748 I CB -0.170 37.379 38.000 -0.752 0.000 1.093 748 I HN -0.028 nan 8.210 nan 0.000 0.453 749 L N 1.048 122.196 121.223 -0.126 0.000 2.479 749 L HA 0.581 4.925 4.340 0.006 0.000 0.249 749 L C 1.174 178.000 176.870 -0.073 0.000 1.178 749 L CA -0.227 54.568 54.840 -0.076 0.000 0.811 749 L CB 0.184 42.227 42.059 -0.027 0.000 1.187 749 L HN 0.212 nan 8.230 nan 0.000 0.480 750 G N -0.410 108.354 108.800 -0.059 0.000 2.849 750 G HA2 0.416 4.379 3.960 0.006 0.000 0.174 750 G HA3 0.416 4.379 3.960 0.006 0.000 0.174 750 G C 0.796 175.680 174.900 -0.026 0.000 1.370 750 G CA -0.306 44.768 45.100 -0.043 0.000 1.040 750 G HN 0.327 nan 8.290 nan 0.000 0.582 751 V N 1.114 121.015 119.914 -0.022 0.000 2.232 751 V HA -0.010 4.114 4.120 0.006 0.000 0.239 751 V C 3.389 179.460 176.094 -0.039 0.000 1.040 751 V CA 2.328 64.617 62.300 -0.018 0.000 0.996 751 V CB -1.272 30.545 31.823 -0.011 0.000 0.638 751 V HN 0.728 nan 8.190 nan 0.000 0.453 752 A N 0.004 122.802 122.820 -0.037 0.000 1.997 752 A HA -0.230 4.093 4.320 0.006 0.000 0.221 752 A C 2.324 179.861 177.584 -0.078 0.000 1.172 752 A CA 2.647 54.656 52.037 -0.046 0.000 0.645 752 A CB -0.860 18.120 19.000 -0.033 0.000 0.813 752 A HN 0.666 nan 8.150 nan 0.000 0.454 753 A N -1.177 121.601 122.820 -0.071 0.000 1.854 753 A HA 0.007 4.331 4.320 0.006 0.000 0.214 753 A C 2.300 179.821 177.584 -0.105 0.000 1.192 753 A CA 1.672 53.663 52.037 -0.077 0.000 0.611 753 A CB -0.891 18.077 19.000 -0.054 0.000 0.832 753 A HN 0.424 nan 8.150 nan 0.000 0.442 754 S N 0.215 115.861 115.700 -0.090 0.000 2.584 754 S HA -0.029 4.445 4.470 0.006 0.000 0.240 754 S C 1.400 175.890 174.600 -0.185 0.000 0.975 754 S CA 0.667 58.808 58.200 -0.098 0.000 0.949 754 S CB -0.456 62.721 63.200 -0.038 0.000 0.761 754 S HN 0.475 nan 8.310 nan 0.000 0.536 755 I N 0.703 121.128 120.570 -0.240 0.000 3.059 755 I HA 0.094 4.268 4.170 0.006 0.000 0.270 755 I C 0.655 176.540 176.117 -0.387 0.000 1.238 755 I CA 0.608 61.660 61.300 -0.413 0.000 1.478 755 I CB -0.722 37.014 38.000 -0.440 0.000 1.097 755 I HN 0.216 nan 8.210 nan 0.000 0.455 756 I N 4.838 125.237 120.570 -0.284 0.000 2.452 756 I HA 0.105 4.278 4.170 0.006 0.000 0.287 756 I C -2.042 173.914 176.117 -0.268 0.000 1.079 756 I CA -1.516 59.612 61.300 -0.286 0.000 1.387 756 I CB 0.414 38.292 38.000 -0.203 0.000 1.404 756 I HN -0.142 nan 8.210 nan 0.000 0.522 757 P HA 0.127 nan 4.420 nan 0.000 0.281 757 P C -0.301 176.934 177.300 -0.108 0.000 1.252 757 P CA -0.169 62.731 63.100 -0.333 0.000 0.778 757 P CB 0.341 31.885 31.700 -0.260 0.000 0.895 758 F N 1.859 121.801 119.950 -0.014 0.000 3.027 758 F HA -0.170 4.361 4.527 0.006 0.000 0.276 758 F C -0.942 174.918 175.800 0.100 0.000 0.967 758 F CA -0.321 57.705 58.000 0.044 0.000 0.929 758 F CB -1.899 37.085 39.000 -0.026 0.000 0.873 758 F HN 0.348 nan 8.300 nan 0.000 0.787 759 P HA -0.170 nan 4.420 nan 0.000 0.225 759 P C 1.245 178.636 177.300 0.151 0.000 1.148 759 P CA 1.884 65.047 63.100 0.106 0.000 0.779 759 P CB 0.040 31.736 31.700 -0.007 0.000 0.780 760 D N -1.184 119.306 120.400 0.149 0.000 2.312 760 D HA -0.179 4.464 4.640 0.006 0.000 0.211 760 D C 1.363 177.732 176.300 0.116 0.000 0.964 760 D CA 0.941 55.048 54.000 0.178 0.000 0.877 760 D CB -1.199 39.704 40.800 0.173 0.000 0.924 760 D HN 0.348 nan 8.370 nan 0.000 0.515 761 H N -0.614 118.536 119.070 0.134 0.000 2.551 761 H HA 0.213 4.773 4.556 0.006 0.000 0.271 761 H C -0.050 175.324 175.328 0.076 0.000 0.984 761 H CA -0.262 55.832 56.048 0.077 0.000 1.164 761 H CB 0.343 30.110 29.762 0.008 0.000 1.437 761 H HN 0.064 nan 8.280 nan 0.000 0.550 762 N N 1.383 120.210 118.700 0.212 0.000 2.400 762 N HA 0.022 4.765 4.740 0.006 0.000 0.288 762 N C -0.536 175.047 175.510 0.122 0.000 1.024 762 N CA -0.426 52.728 53.050 0.174 0.000 0.894 762 N CB 1.529 40.157 38.487 0.234 0.000 1.173 762 N HN 0.103 nan 8.380 nan 0.000 0.487 763 Q N 1.985 121.840 119.800 0.091 0.000 2.239 763 Q HA 0.008 4.352 4.340 0.006 0.000 0.286 763 Q C 0.468 176.516 176.000 0.080 0.000 1.102 763 Q CA 0.254 56.099 55.803 0.069 0.000 0.936 763 Q CB 0.377 29.141 28.738 0.044 0.000 1.127 763 Q HN 0.702 nan 8.270 nan 0.000 0.380 764 S N 5.954 121.701 115.700 0.079 0.000 2.387 764 S HA -0.117 4.357 4.470 0.006 0.000 0.230 764 S C -1.065 173.591 174.600 0.093 0.000 1.035 764 S CA 1.410 59.660 58.200 0.083 0.000 1.014 764 S CB -0.622 62.622 63.200 0.074 0.000 0.836 764 S HN 0.735 nan 8.310 nan 0.000 0.466 765 P HA -0.156 nan 4.420 nan 0.000 0.217 765 P C 1.177 178.618 177.300 0.235 0.000 1.148 765 P CA 1.241 64.431 63.100 0.151 0.000 0.834 765 P CB -0.096 31.675 31.700 0.119 0.000 0.783 766 R N -0.762 119.820 120.500 0.135 0.000 2.073 766 R HA -0.018 4.325 4.340 0.006 0.000 0.229 766 R C 2.115 178.513 176.300 0.163 0.000 1.120 766 R CA 0.779 56.954 56.100 0.126 0.000 0.967 766 R CB -1.020 29.320 30.300 0.067 0.000 0.862 766 R HN 0.233 nan 8.270 nan 0.000 0.436 767 N N 0.454 119.227 118.700 0.121 0.000 2.094 767 N HA -0.132 4.612 4.740 0.006 0.000 0.191 767 N C 1.665 177.215 175.510 0.065 0.000 1.023 767 N CA 1.837 54.932 53.050 0.076 0.000 0.857 767 N CB -0.478 38.047 38.487 0.064 0.000 1.013 767 N HN 0.197 nan 8.380 nan 0.000 0.426 768 T N 0.350 114.958 114.554 0.090 0.000 2.674 768 T HA -0.120 4.234 4.350 0.006 0.000 0.265 768 T C 1.691 176.415 174.700 0.040 0.000 1.039 768 T CA 1.040 63.167 62.100 0.046 0.000 1.150 768 T CB -0.534 68.356 68.868 0.037 0.000 0.864 768 T HN 0.225 nan 8.240 nan 0.000 0.427 769 Y N 1.676 121.973 120.300 -0.004 0.000 2.081 769 Y HA -0.233 4.320 4.550 0.006 0.000 0.280 769 Y C 2.904 178.800 175.900 -0.008 0.000 1.163 769 Y CA 1.712 59.812 58.100 -0.000 0.000 1.135 769 Y CB -0.655 37.813 38.460 0.015 0.000 0.970 769 Y HN 0.151 nan 8.280 nan 0.000 0.498 770 Q N 0.207 120.096 119.800 0.147 0.000 2.152 770 Q HA -0.180 4.163 4.340 0.006 0.000 0.206 770 Q C 2.088 178.092 176.000 0.007 0.000 0.985 770 Q CA 2.433 58.263 55.803 0.045 0.000 0.863 770 Q CB -0.592 28.134 28.738 -0.020 0.000 0.904 770 Q HN 0.366 nan 8.270 nan 0.000 0.422 771 S N 0.006 115.703 115.700 -0.005 0.000 2.368 771 S HA -0.011 4.462 4.470 0.006 0.000 0.224 771 S C 1.904 176.486 174.600 -0.030 0.000 1.029 771 S CA 0.932 59.115 58.200 -0.027 0.000 0.988 771 S CB -0.595 62.581 63.200 -0.039 0.000 0.838 771 S HN 0.628 nan 8.310 nan 0.000 0.462 772 A N 0.891 123.682 122.820 -0.047 0.000 2.125 772 A HA 0.064 4.388 4.320 0.006 0.000 0.219 772 A C 1.987 179.553 177.584 -0.030 0.000 1.156 772 A CA 1.083 53.082 52.037 -0.064 0.000 0.671 772 A CB -0.465 18.459 19.000 -0.127 0.000 0.794 772 A HN 0.473 nan 8.150 nan 0.000 0.459 773 M N -1.659 117.942 119.600 0.002 0.000 2.516 773 M HA 0.070 4.554 4.480 0.006 0.000 0.259 773 M C 2.167 178.485 176.300 0.030 0.000 1.146 773 M CA 0.745 56.059 55.300 0.024 0.000 1.122 773 M CB -0.061 32.572 32.600 0.056 0.000 1.341 773 M HN 0.479 nan 8.290 nan 0.000 0.478 774 G N 1.444 110.261 108.800 0.029 0.000 2.462 774 G HA2 -0.197 3.767 3.960 0.006 0.000 0.220 774 G HA3 -0.197 3.767 3.960 0.006 0.000 0.220 774 G C 1.469 176.416 174.900 0.079 0.000 1.121 774 G CA 0.720 45.856 45.100 0.061 0.000 0.758 774 G HN 0.417 nan 8.290 nan 0.000 0.559 775 K N -0.251 120.170 120.400 0.035 0.000 2.444 775 K HA 0.131 4.455 4.320 0.006 0.000 0.193 775 K C 1.641 178.220 176.600 -0.035 0.000 1.024 775 K CA 0.292 56.592 56.287 0.021 0.000 1.077 775 K CB 0.358 32.854 32.500 -0.006 0.000 0.833 775 K HN 0.314 nan 8.250 nan 0.000 0.517 776 Q N 0.062 119.837 119.800 -0.041 0.000 2.171 776 Q HA 0.252 4.596 4.340 0.006 0.000 0.218 776 Q C -0.115 175.903 176.000 0.031 0.000 0.822 776 Q CA -0.429 55.282 55.803 -0.153 0.000 0.987 776 Q CB 1.227 29.875 28.738 -0.151 0.000 1.144 776 Q HN 0.204 nan 8.270 nan 0.000 0.494 777 A N 1.108 124.006 122.820 0.130 0.000 2.475 777 A HA 0.280 4.604 4.320 0.006 0.000 0.239 777 A C -0.196 177.544 177.584 0.261 0.000 1.087 777 A CA 0.269 52.414 52.037 0.181 0.000 0.779 777 A CB 0.287 19.408 19.000 0.201 0.000 1.036 777 A HN 0.372 nan 8.150 nan 0.000 0.506 778 M N 0.951 120.659 119.600 0.180 0.000 2.253 778 M HA 0.556 5.039 4.480 0.006 0.000 0.314 778 M C 0.352 176.688 176.300 0.060 0.000 1.019 778 M CA 0.386 55.754 55.300 0.112 0.000 0.932 778 M CB 1.755 34.412 32.600 0.096 0.000 1.606 778 M HN 0.980 nan 8.290 nan 0.000 0.430 779 G N 2.535 111.325 108.800 -0.016 0.000 3.454 779 G HA2 0.479 4.443 3.960 0.006 0.000 0.162 779 G HA3 0.479 4.443 3.960 0.006 0.000 0.162 779 G C -1.603 173.202 174.900 -0.159 0.000 1.223 779 G CA -0.261 44.797 45.100 -0.070 0.000 1.394 779 G HN 0.489 nan 8.290 nan 0.000 0.709 780 V N 2.401 122.199 119.914 -0.194 0.000 2.568 780 V HA 0.284 4.407 4.120 0.006 0.000 0.276 780 V C 0.470 176.393 176.094 -0.285 0.000 1.002 780 V CA -0.500 61.586 62.300 -0.358 0.000 0.879 780 V CB 0.603 32.197 31.823 -0.381 0.000 1.040 780 V HN 0.731 nan 8.190 nan 0.000 0.457 781 F N 3.236 123.060 119.950 -0.209 0.000 2.163 781 F HA 0.414 4.944 4.527 0.005 0.000 0.297 781 F C 0.432 176.225 175.800 -0.010 0.000 1.094 781 F CA 0.656 58.608 58.000 -0.079 0.000 1.290 781 F CB -0.037 38.907 39.000 -0.094 0.000 1.017 781 F HN 0.209 nan 8.300 nan 0.000 0.483 782 L N -0.322 120.613 121.223 -0.480 0.000 2.466 782 L HA 0.294 4.638 4.340 0.006 0.000 0.258 782 L C 0.850 177.591 176.870 -0.216 0.000 0.973 782 L CA -0.710 54.008 54.840 -0.203 0.000 0.826 782 L CB 2.160 44.221 42.059 0.002 0.000 1.372 782 L HN -0.172 nan 8.230 nan 0.000 0.409 783 T N -0.850 113.678 114.554 -0.044 0.000 2.849 783 T HA -0.126 4.228 4.350 0.006 0.000 0.270 783 T C 1.392 176.100 174.700 0.014 0.000 1.066 783 T CA 1.902 64.023 62.100 0.035 0.000 1.130 783 T CB -0.369 68.588 68.868 0.148 0.000 0.864 783 T HN 0.742 nan 8.240 nan 0.000 0.481 784 N N 1.857 120.543 118.700 -0.023 0.000 2.494 784 N HA -0.103 4.641 4.740 0.006 0.000 0.182 784 N C 1.585 176.984 175.510 -0.185 0.000 1.076 784 N CA 0.805 53.804 53.050 -0.084 0.000 0.908 784 N CB -1.132 37.335 38.487 -0.033 0.000 0.967 784 N HN 0.719 nan 8.380 nan 0.000 0.449 785 Y N -0.062 120.057 120.300 -0.301 0.000 2.181 785 Y HA -0.170 4.384 4.550 0.005 0.000 0.284 785 Y C 1.524 177.244 175.900 -0.300 0.000 1.179 785 Y CA 1.406 59.314 58.100 -0.320 0.000 1.179 785 Y CB -1.206 36.906 38.460 -0.581 0.000 0.973 785 Y HN -0.005 nan 8.280 nan 0.000 0.519 786 N N 0.341 118.328 118.700 -1.189 0.000 2.617 786 N HA -0.028 4.716 4.740 0.006 0.000 0.198 786 N C 0.249 175.538 175.510 -0.369 0.000 1.317 786 N CA 1.013 53.554 53.050 -0.848 0.000 0.892 786 N CB -0.004 37.934 38.487 -0.916 0.000 1.041 786 N HN 0.497 nan 8.380 nan 0.000 0.450 787 V N -3.989 115.768 119.914 -0.262 0.000 3.363 787 V HA 0.298 4.422 4.120 0.006 0.000 0.270 787 V C 0.495 176.549 176.094 -0.068 0.000 1.667 787 V CA -0.491 61.735 62.300 -0.124 0.000 1.034 787 V CB -0.075 31.689 31.823 -0.098 0.000 0.857 787 V HN -0.028 nan 8.190 nan 0.000 0.410 788 R N 2.032 122.489 120.500 -0.071 0.000 2.370 788 R HA 0.430 4.774 4.340 0.006 0.000 0.309 788 R C -0.490 175.814 176.300 0.007 0.000 1.059 788 R CA -0.014 56.084 56.100 -0.004 0.000 0.981 788 R CB 0.635 30.963 30.300 0.048 0.000 0.972 788 R HN 0.216 nan 8.270 nan 0.000 0.437 789 M N 4.805 124.419 119.600 0.022 0.000 2.365 789 M HA 0.136 4.620 4.480 0.006 0.000 0.350 789 M C -0.795 175.514 176.300 0.016 0.000 1.274 789 M CA -0.603 54.714 55.300 0.028 0.000 1.252 789 M CB 0.411 33.040 32.600 0.049 0.000 1.297 789 M HN 0.491 nan 8.290 nan 0.000 0.438 790 D N 1.157 121.551 120.400 -0.009 0.000 2.780 790 D HA 0.300 4.943 4.640 0.006 0.000 0.242 790 D C -0.656 175.592 176.300 -0.086 0.000 1.135 790 D CA -0.496 53.472 54.000 -0.052 0.000 0.859 790 D CB 0.789 41.537 40.800 -0.087 0.000 1.530 790 D HN 0.151 nan 8.370 nan 0.000 0.493 791 T N 2.898 117.390 114.554 -0.104 0.000 2.829 791 T HA 0.259 4.613 4.350 0.006 0.000 0.293 791 T C 0.743 175.353 174.700 -0.151 0.000 0.970 791 T CA -0.045 61.971 62.100 -0.140 0.000 1.168 791 T CB -0.436 68.349 68.868 -0.138 0.000 0.911 791 T HN 0.435 nan 8.240 nan 0.000 0.535 792 M N 0.828 120.316 119.600 -0.188 0.000 4.057 792 M HA -0.132 4.352 4.480 0.006 0.000 0.157 792 M C -0.405 175.781 176.300 -0.189 0.000 1.531 792 M CA 0.355 55.530 55.300 -0.208 0.000 1.097 792 M CB -1.047 31.505 32.600 -0.079 0.000 1.345 792 M HN 0.931 nan 8.290 nan 0.000 0.190 793 A N 3.618 126.321 122.820 -0.195 0.000 2.565 793 A HA 0.717 5.040 4.320 0.006 0.000 0.298 793 A C -1.288 176.249 177.584 -0.079 0.000 1.062 793 A CA -0.850 51.084 52.037 -0.172 0.000 0.723 793 A CB 1.563 20.545 19.000 -0.030 0.000 1.282 793 A HN 0.782 nan 8.150 nan 0.000 0.400 794 N N 0.724 119.289 118.700 -0.224 0.000 2.321 794 N HA 0.725 5.469 4.740 0.006 0.000 0.299 794 N C -1.541 173.892 175.510 -0.128 0.000 1.048 794 N CA -0.258 52.699 53.050 -0.156 0.000 0.836 794 N CB 1.807 40.076 38.487 -0.364 0.000 1.269 794 N HN 0.528 nan 8.380 nan 0.000 0.486 795 I N 2.003 122.542 120.570 -0.053 0.000 2.534 795 I HA 0.267 4.441 4.170 0.006 0.000 0.288 795 I C -0.304 175.807 176.117 -0.010 0.000 1.077 795 I CA -0.551 60.666 61.300 -0.138 0.000 1.051 795 I CB 2.090 39.898 38.000 -0.320 0.000 1.234 795 I HN 0.303 nan 8.210 nan 0.000 0.425 796 L N 5.485 126.692 121.223 -0.028 0.000 2.462 796 L HA 0.120 4.464 4.340 0.006 0.000 0.272 796 L C 0.836 177.751 176.870 0.075 0.000 1.166 796 L CA 0.448 55.323 54.840 0.060 0.000 0.880 796 L CB 0.266 42.344 42.059 0.030 0.000 1.142 796 L HN 0.521 nan 8.230 nan 0.000 0.473 797 Y N 4.446 124.728 120.300 -0.029 0.000 2.114 797 Y HA -0.214 4.339 4.550 0.005 0.000 0.282 797 Y C 0.149 175.855 175.900 -0.324 0.000 1.165 797 Y CA 1.577 59.605 58.100 -0.120 0.000 1.148 797 Y CB -0.124 38.375 38.460 0.066 0.000 0.972 797 Y HN 0.492 nan 8.280 nan 0.000 0.504 798 Y N -0.755 119.597 120.300 0.087 0.000 2.541 798 Y HA 0.351 4.905 4.550 0.006 0.000 0.350 798 Y C -2.407 173.461 175.900 -0.054 0.000 1.075 798 Y CA -3.085 55.010 58.100 -0.008 0.000 1.302 798 Y CB 0.687 39.145 38.460 -0.004 0.000 1.094 798 Y HN -0.104 nan 8.280 nan 0.000 0.579 799 P HA 0.320 nan 4.420 nan 0.000 0.274 799 P C -0.892 176.413 177.300 0.008 0.000 1.256 799 P CA -0.343 62.751 63.100 -0.010 0.000 0.795 799 P CB 0.923 32.586 31.700 -0.062 0.000 1.038 800 Q N -0.711 119.107 119.800 0.030 0.000 2.391 800 Q HA 0.248 4.592 4.340 0.006 0.000 0.279 800 Q C -0.751 175.351 176.000 0.170 0.000 1.028 800 Q CA -1.158 54.687 55.803 0.070 0.000 0.836 800 Q CB 2.294 31.069 28.738 0.061 0.000 1.414 800 Q HN 0.358 nan 8.270 nan 0.000 0.397 801 K N 1.224 121.677 120.400 0.089 0.000 2.319 801 K HA 0.323 4.647 4.320 0.006 0.000 0.265 801 K C -2.326 174.326 176.600 0.088 0.000 1.000 801 K CA -1.109 55.214 56.287 0.059 0.000 0.943 801 K CB 0.286 32.783 32.500 -0.005 0.000 0.950 801 K HN 0.201 nan 8.250 nan 0.000 0.485 802 P HA -0.001 nan 4.420 nan 0.000 0.274 802 P C 0.332 177.580 177.300 -0.088 0.000 1.260 802 P CA -0.270 62.634 63.100 -0.327 0.000 0.793 802 P CB 0.639 31.916 31.700 -0.705 0.000 1.048 803 L N -0.840 120.360 121.223 -0.039 0.000 2.316 803 L HA 0.246 4.590 4.340 0.006 0.000 0.207 803 L C 1.537 178.370 176.870 -0.062 0.000 1.070 803 L CA 0.708 55.532 54.840 -0.027 0.000 0.820 803 L CB -0.590 41.474 42.059 0.009 0.000 0.992 803 L HN 0.445 nan 8.230 nan 0.000 0.466 804 G N 0.057 108.807 108.800 -0.084 0.000 2.338 804 G HA2 0.467 4.431 3.960 0.006 0.000 0.298 804 G HA3 0.467 4.431 3.960 0.006 0.000 0.298 804 G C -0.631 174.137 174.900 -0.221 0.000 1.140 804 G CA -0.000 45.017 45.100 -0.138 0.000 0.860 804 G HN 0.088 nan 8.290 nan 0.000 0.470 805 T N -1.117 113.293 114.554 -0.241 0.000 2.937 805 T HA 0.538 4.892 4.350 0.006 0.000 0.297 805 T C 0.157 174.686 174.700 -0.286 0.000 0.991 805 T CA -0.712 61.230 62.100 -0.262 0.000 0.990 805 T CB 1.109 69.856 68.868 -0.202 0.000 0.991 805 T HN 0.698 nan 8.240 nan 0.000 0.440 806 T N 1.930 116.302 114.554 -0.305 0.000 2.916 806 T HA 0.232 4.585 4.350 0.006 0.000 0.303 806 T C 1.549 176.104 174.700 -0.242 0.000 1.025 806 T CA -0.887 61.056 62.100 -0.261 0.000 1.142 806 T CB 0.926 69.663 68.868 -0.219 0.000 0.947 806 T HN 0.538 nan 8.240 nan 0.000 0.544 807 R N 2.314 122.626 120.500 -0.314 0.000 2.113 807 R HA -0.189 4.155 4.340 0.006 0.000 0.244 807 R C 2.680 178.833 176.300 -0.244 0.000 1.142 807 R CA 1.830 57.603 56.100 -0.544 0.000 0.953 807 R CB -1.434 28.005 30.300 -1.436 0.000 0.860 807 R HN 0.935 nan 8.270 nan 0.000 0.438 808 A N 0.668 123.485 122.820 -0.006 0.000 2.139 808 A HA -0.192 4.131 4.320 0.006 0.000 0.221 808 A C 2.218 179.880 177.584 0.130 0.000 1.159 808 A CA 1.575 53.725 52.037 0.188 0.000 0.662 808 A CB -0.495 18.604 19.000 0.165 0.000 0.796 808 A HN 0.300 nan 8.150 nan 0.000 0.463 809 M N -1.284 118.310 119.600 -0.010 0.000 2.149 809 M HA -0.194 4.290 4.480 0.006 0.000 0.261 809 M C 2.119 178.429 176.300 0.017 0.000 1.064 809 M CA 1.882 57.167 55.300 -0.026 0.000 1.102 809 M CB -0.364 32.167 32.600 -0.115 0.000 1.369 809 M HN 0.589 nan 8.290 nan 0.000 0.408 810 E N -0.071 120.096 120.200 -0.055 0.000 2.209 810 E HA -0.216 4.138 4.350 0.006 0.000 0.196 810 E C 1.243 177.607 176.600 -0.395 0.000 0.993 810 E CA 1.444 57.678 56.400 -0.276 0.000 0.819 810 E CB 0.118 29.514 29.700 -0.506 0.000 0.745 810 E HN 0.616 nan 8.360 nan 0.000 0.477 811 Y N -1.292 118.921 120.300 -0.146 0.000 2.497 811 Y HA 0.079 4.632 4.550 0.006 0.000 0.265 811 Y C 1.449 177.223 175.900 -0.210 0.000 1.111 811 Y CA -0.146 57.776 58.100 -0.297 0.000 1.288 811 Y CB 0.352 38.382 38.460 -0.717 0.000 1.082 811 Y HN 0.030 nan 8.280 nan 0.000 0.536 812 L N 0.918 122.184 121.223 0.073 0.000 2.627 812 L HA 0.064 4.408 4.340 0.006 0.000 0.232 812 L C 0.262 177.313 176.870 0.302 0.000 1.150 812 L CA 0.287 55.221 54.840 0.156 0.000 0.917 812 L CB -1.253 40.886 42.059 0.133 0.000 1.104 812 L HN 0.138 nan 8.230 nan 0.000 0.445 813 K N -0.204 120.301 120.400 0.176 0.000 4.462 813 K HA -0.278 4.046 4.320 0.006 0.000 0.278 813 K C 0.868 177.504 176.600 0.061 0.000 0.789 813 K CA 0.546 56.886 56.287 0.088 0.000 0.765 813 K CB -1.824 30.720 32.500 0.074 0.000 1.839 813 K HN 0.195 nan 8.250 nan 0.000 0.418 814 F N 0.665 120.580 119.950 -0.058 0.000 2.453 814 F HA 0.077 4.607 4.527 0.006 0.000 0.284 814 F C 1.922 177.645 175.800 -0.129 0.000 1.065 814 F CA 0.259 58.216 58.000 -0.071 0.000 1.411 814 F CB 0.248 39.206 39.000 -0.069 0.000 1.131 814 F HN 0.158 nan 8.300 nan 0.000 0.582 815 R N 0.396 120.930 120.500 0.056 0.000 2.357 815 R HA -0.079 4.265 4.340 0.006 0.000 0.202 815 R C 0.655 176.888 176.300 -0.113 0.000 1.047 815 R CA 1.041 57.124 56.100 -0.028 0.000 1.034 815 R CB -0.239 30.043 30.300 -0.029 0.000 0.875 815 R HN 0.403 nan 8.270 nan 0.000 0.473 816 E N -0.670 119.412 120.200 -0.197 0.000 2.414 816 E HA 0.178 4.532 4.350 0.006 0.000 0.208 816 E C -0.052 176.274 176.600 -0.456 0.000 0.820 816 E CA 0.191 56.437 56.400 -0.256 0.000 1.143 816 E CB 0.811 30.409 29.700 -0.170 0.000 1.150 816 E HN 0.034 nan 8.360 nan 0.000 0.540 817 L N 3.112 123.991 121.223 -0.574 0.000 2.581 817 L HA 0.400 4.744 4.340 0.006 0.000 0.241 817 L C -2.388 174.102 176.870 -0.633 0.000 1.265 817 L CA -1.810 52.653 54.840 -0.628 0.000 0.954 817 L CB 0.817 42.370 42.059 -0.843 0.000 1.269 817 L HN -0.040 nan 8.230 nan 0.000 0.475 818 P HA 0.144 nan 4.420 nan 0.000 0.275 818 P C 0.088 177.171 177.300 -0.360 0.000 1.270 818 P CA -0.199 62.531 63.100 -0.617 0.000 0.791 818 P CB 1.611 33.202 31.700 -0.181 0.000 1.089 819 A N -1.522 121.255 122.820 -0.071 0.000 2.701 819 A HA 0.581 4.905 4.320 0.006 0.000 0.241 819 A C 0.548 178.270 177.584 0.229 0.000 1.231 819 A CA 0.615 52.721 52.037 0.115 0.000 1.003 819 A CB 0.030 19.157 19.000 0.211 0.000 1.281 819 A HN 0.716 nan 8.150 nan 0.000 0.600 820 G N -0.868 108.062 108.800 0.215 0.000 2.606 820 G HA2 0.540 4.504 3.960 0.006 0.000 0.300 820 G HA3 0.540 4.504 3.960 0.006 0.000 0.300 820 G C -1.753 172.786 174.900 -0.602 0.000 1.360 820 G CA -0.450 44.547 45.100 -0.172 0.000 0.783 820 G HN 0.136 nan 8.290 nan 0.000 0.484 821 Q N 0.085 119.456 119.800 -0.714 0.000 2.353 821 Q HA 0.340 4.683 4.340 0.006 0.000 0.268 821 Q C -0.490 175.243 176.000 -0.446 0.000 1.045 821 Q CA -0.885 54.576 55.803 -0.571 0.000 0.811 821 Q CB 2.214 30.543 28.738 -0.682 0.000 1.305 821 Q HN 0.433 nan 8.270 nan 0.000 0.447 822 N N 1.717 120.328 118.700 -0.148 0.000 3.167 822 N HA 0.092 4.835 4.740 0.006 0.000 0.318 822 N C -0.710 174.777 175.510 -0.038 0.000 1.268 822 N CA 0.069 53.138 53.050 0.031 0.000 1.197 822 N CB 0.076 38.643 38.487 0.134 0.000 1.464 822 N HN 0.595 nan 8.380 nan 0.000 0.555 823 A N 0.842 123.622 122.820 -0.066 0.000 2.366 823 A HA 0.215 4.538 4.320 0.006 0.000 0.250 823 A C 0.594 178.113 177.584 -0.108 0.000 1.099 823 A CA -0.157 51.825 52.037 -0.092 0.000 0.794 823 A CB 0.506 19.463 19.000 -0.072 0.000 1.056 823 A HN 0.307 nan 8.150 nan 0.000 0.499 824 I N 1.257 121.726 120.570 -0.169 0.000 2.371 824 I HA 0.221 4.395 4.170 0.006 0.000 0.290 824 I C -0.198 175.723 176.117 -0.327 0.000 1.028 824 I CA 0.130 61.248 61.300 -0.304 0.000 1.345 824 I CB 0.651 38.457 38.000 -0.323 0.000 1.407 824 I HN 0.197 nan 8.210 nan 0.000 0.501 825 V N 6.446 126.123 119.914 -0.396 0.000 2.384 825 V HA 0.583 4.707 4.120 0.006 0.000 0.287 825 V C 0.338 176.252 176.094 -0.299 0.000 1.020 825 V CA -0.693 61.455 62.300 -0.253 0.000 0.850 825 V CB 1.617 33.419 31.823 -0.035 0.000 0.987 825 V HN 0.848 nan 8.190 nan 0.000 0.436 826 A N 6.860 129.629 122.820 -0.085 0.000 2.277 826 A HA 0.702 5.026 4.320 0.006 0.000 0.318 826 A C -0.320 177.312 177.584 0.080 0.000 1.339 826 A CA -0.459 51.648 52.037 0.116 0.000 0.875 826 A CB 0.134 19.301 19.000 0.279 0.000 1.158 826 A HN 0.798 nan 8.150 nan 0.000 0.514 827 I N 2.646 123.280 120.570 0.106 0.000 2.347 827 I HA 0.440 4.614 4.170 0.006 0.000 0.294 827 I C 0.599 176.796 176.117 0.133 0.000 1.090 827 I CA 0.483 61.860 61.300 0.128 0.000 1.314 827 I CB 0.421 38.540 38.000 0.198 0.000 1.423 827 I HN 0.712 nan 8.210 nan 0.000 0.503 828 A N 5.521 128.408 122.820 0.112 0.000 2.597 828 A HA 0.561 4.884 4.320 0.006 0.000 0.292 828 A C -1.118 176.545 177.584 0.132 0.000 1.057 828 A CA -0.547 51.565 52.037 0.124 0.000 0.674 828 A CB 1.036 20.101 19.000 0.108 0.000 1.278 828 A HN 0.623 nan 8.150 nan 0.000 0.416 829 C N 0.834 120.221 119.300 0.146 0.000 2.463 829 C HA 0.750 5.214 4.460 0.006 0.000 0.380 829 C C 0.532 175.668 174.990 0.244 0.000 1.264 829 C CA 0.294 59.398 59.018 0.144 0.000 2.161 829 C CB 0.045 27.843 27.740 0.097 0.000 2.515 829 C HN 0.908 nan 8.230 nan 0.000 0.565 830 Y N 0.837 121.173 120.300 0.061 0.000 2.368 830 Y HA 0.118 4.671 4.550 0.006 0.000 0.086 830 Y C 2.270 178.242 175.900 0.120 0.000 0.965 830 Y CA 0.907 59.054 58.100 0.079 0.000 1.786 830 Y CB -0.521 38.005 38.460 0.109 0.000 1.100 830 Y HN 0.555 nan 8.280 nan 0.000 0.196 831 S N 0.147 116.050 115.700 0.338 0.000 2.402 831 S HA 0.165 4.638 4.470 0.006 0.000 0.229 831 S C 1.638 176.368 174.600 0.215 0.000 1.021 831 S CA 1.215 59.620 58.200 0.341 0.000 0.974 831 S CB -0.458 63.238 63.200 0.825 0.000 0.800 831 S HN 1.622 nan 8.310 nan 0.000 0.484 832 G N -0.188 108.717 108.800 0.174 0.000 2.141 832 G HA2 -0.278 3.686 3.960 0.006 0.000 0.242 832 G HA3 -0.278 3.686 3.960 0.006 0.000 0.242 832 G C 0.307 175.178 174.900 -0.048 0.000 0.982 832 G CA 0.393 45.503 45.100 0.015 0.000 0.662 832 G HN 0.562 nan 8.290 nan 0.000 0.527 833 Y N 1.197 121.534 120.300 0.062 0.000 2.365 833 Y HA 0.053 4.607 4.550 0.006 0.000 0.293 833 Y C 2.380 178.274 175.900 -0.010 0.000 1.119 833 Y CA 1.127 59.239 58.100 0.021 0.000 1.203 833 Y CB -0.008 38.456 38.460 0.005 0.000 1.026 833 Y HN 0.496 nan 8.280 nan 0.000 0.549 834 N N 0.853 119.641 118.700 0.147 0.000 2.627 834 N HA -0.120 4.624 4.740 0.006 0.000 0.196 834 N C 0.135 175.664 175.510 0.033 0.000 1.268 834 N CA 0.287 53.377 53.050 0.068 0.000 0.904 834 N CB -0.188 38.342 38.487 0.071 0.000 1.016 834 N HN 0.451 nan 8.380 nan 0.000 0.448 835 Q N 0.764 120.570 119.800 0.010 0.000 2.260 835 Q HA 0.072 4.416 4.340 0.006 0.000 0.238 835 Q C -0.726 175.263 176.000 -0.018 0.000 0.948 835 Q CA -0.511 55.270 55.803 -0.037 0.000 0.895 835 Q CB 0.819 29.510 28.738 -0.078 0.000 1.218 835 Q HN 0.280 nan 8.270 nan 0.000 0.470 836 E N 2.097 122.284 120.200 -0.020 0.000 2.272 836 E HA -0.274 4.080 4.350 0.006 0.000 0.160 836 E C -1.315 175.300 176.600 0.024 0.000 1.627 836 E CA 0.996 57.401 56.400 0.009 0.000 0.641 836 E CB -1.323 28.379 29.700 0.003 0.000 1.060 836 E HN 0.689 nan 8.360 nan 0.000 0.324 837 D N -0.015 120.408 120.400 0.039 0.000 2.739 837 D HA -0.172 4.472 4.640 0.006 0.000 0.240 837 D C -0.736 175.596 176.300 0.052 0.000 1.114 837 D CA 1.468 55.497 54.000 0.049 0.000 0.695 837 D CB -1.700 39.126 40.800 0.043 0.000 1.078 837 D HN 0.492 nan 8.370 nan 0.000 0.434 838 S N -1.429 114.298 115.700 0.045 0.000 2.651 838 S HA 0.870 5.344 4.470 0.006 0.000 0.279 838 S C -0.132 174.479 174.600 0.018 0.000 1.148 838 S CA -1.223 56.999 58.200 0.037 0.000 0.837 838 S CB 2.880 66.099 63.200 0.032 0.000 1.138 838 S HN 0.374 nan 8.310 nan 0.000 0.478 839 M N 0.281 119.866 119.600 -0.026 0.000 2.550 839 M HA 0.666 5.150 4.480 0.006 0.000 0.292 839 M C -1.839 174.378 176.300 -0.140 0.000 1.221 839 M CA -0.836 54.418 55.300 -0.077 0.000 0.873 839 M CB 1.313 33.841 32.600 -0.120 0.000 1.727 839 M HN 0.679 nan 8.290 nan 0.000 0.459 840 I N 1.837 122.319 120.570 -0.147 0.000 2.934 840 I HA 0.656 4.830 4.170 0.006 0.000 0.315 840 I C -0.295 175.681 176.117 -0.235 0.000 0.997 840 I CA -0.731 60.438 61.300 -0.219 0.000 1.184 840 I CB 1.776 39.648 38.000 -0.214 0.000 1.400 840 I HN 0.782 nan 8.210 nan 0.000 0.549 841 M N 2.376 121.831 119.600 -0.241 0.000 2.465 841 M HA 0.291 4.775 4.480 0.006 0.000 0.284 841 M C -1.290 174.934 176.300 -0.128 0.000 1.212 841 M CA -0.728 54.451 55.300 -0.201 0.000 0.910 841 M CB 2.244 34.686 32.600 -0.264 0.000 1.725 841 M HN 0.517 nan 8.290 nan 0.000 0.477 842 N N 2.599 121.252 118.700 -0.078 0.000 2.406 842 N HA 0.020 4.763 4.740 0.006 0.000 0.269 842 N C 0.539 176.033 175.510 -0.027 0.000 1.210 842 N CA 0.471 53.504 53.050 -0.029 0.000 0.966 842 N CB 0.815 39.296 38.487 -0.010 0.000 1.293 842 N HN 0.641 nan 8.380 nan 0.000 0.491 843 Q N 2.312 122.100 119.800 -0.021 0.000 2.156 843 Q HA -0.214 4.130 4.340 0.006 0.000 0.211 843 Q C 1.379 177.374 176.000 -0.008 0.000 0.995 843 Q CA 2.098 57.891 55.803 -0.016 0.000 0.877 843 Q CB -0.478 28.259 28.738 -0.001 0.000 0.920 843 Q HN 0.628 nan 8.270 nan 0.000 0.416 844 S N -0.474 115.226 115.700 -0.000 0.000 2.359 844 S HA -0.177 4.297 4.470 0.006 0.000 0.224 844 S C 1.850 176.441 174.600 -0.014 0.000 1.035 844 S CA 1.451 59.648 58.200 -0.005 0.000 1.018 844 S CB -0.449 62.750 63.200 -0.001 0.000 0.876 844 S HN 0.732 nan 8.310 nan 0.000 0.448 845 S N 0.994 116.683 115.700 -0.017 0.000 2.447 845 S HA 0.083 4.556 4.470 0.006 0.000 0.233 845 S C 1.698 176.283 174.600 -0.024 0.000 1.006 845 S CA 0.569 58.751 58.200 -0.029 0.000 0.957 845 S CB -0.500 62.680 63.200 -0.034 0.000 0.773 845 S HN 0.444 nan 8.310 nan 0.000 0.507 846 I N 2.322 122.885 120.570 -0.012 0.000 2.252 846 I HA -0.149 4.024 4.170 0.006 0.000 0.245 846 I C 1.903 178.017 176.117 -0.004 0.000 1.102 846 I CA 1.350 62.651 61.300 0.003 0.000 1.385 846 I CB -0.323 37.677 38.000 0.000 0.000 1.064 846 I HN 0.166 nan 8.210 nan 0.000 0.414 847 D N 0.643 121.037 120.400 -0.009 0.000 2.144 847 D HA -0.132 4.511 4.640 0.006 0.000 0.200 847 D C 2.244 178.541 176.300 -0.005 0.000 0.978 847 D CA 1.000 54.997 54.000 -0.006 0.000 0.833 847 D CB -0.265 40.532 40.800 -0.005 0.000 0.961 847 D HN 0.259 nan 8.370 nan 0.000 0.470 848 R N -0.589 119.899 120.500 -0.021 0.000 2.189 848 R HA 0.070 4.414 4.340 0.006 0.000 0.223 848 R C 1.477 177.737 176.300 -0.067 0.000 1.092 848 R CA 1.101 57.175 56.100 -0.044 0.000 0.989 848 R CB 0.296 30.559 30.300 -0.061 0.000 0.876 848 R HN 0.318 nan 8.270 nan 0.000 0.457 849 G N -0.080 108.700 108.800 -0.034 0.000 3.382 849 G HA2 -0.165 3.798 3.960 0.006 0.000 0.214 849 G HA3 -0.165 3.798 3.960 0.006 0.000 0.214 849 G C -0.242 174.678 174.900 0.034 0.000 1.025 849 G CA -0.679 44.428 45.100 0.011 0.000 0.869 849 G HN 0.121 nan 8.290 nan 0.000 0.458 850 L N 2.031 123.238 121.223 -0.027 0.000 2.640 850 L HA 0.423 4.767 4.340 0.006 0.000 0.280 850 L C 1.141 178.069 176.870 0.097 0.000 1.229 850 L CA 1.305 56.112 54.840 -0.055 0.000 0.919 850 L CB -0.553 41.465 42.059 -0.068 0.000 1.168 850 L HN 0.547 nan 8.230 nan 0.000 0.496 851 F N 1.670 121.676 119.950 0.093 0.000 2.973 851 F HA -0.344 4.187 4.527 0.006 0.000 0.299 851 F C 1.208 177.058 175.800 0.083 0.000 0.737 851 F CA 0.673 58.755 58.000 0.136 0.000 1.151 851 F CB -0.935 38.240 39.000 0.292 0.000 1.440 851 F HN 0.581 nan 8.300 nan 0.000 0.367 852 R N 0.718 121.309 120.500 0.151 0.000 2.738 852 R HA 0.480 4.824 4.340 0.006 0.000 0.268 852 R C 0.433 176.732 176.300 -0.002 0.000 1.062 852 R CA 0.665 56.721 56.100 -0.072 0.000 1.158 852 R CB 0.839 30.898 30.300 -0.401 0.000 1.046 852 R HN 0.226 nan 8.270 nan 0.000 0.493 853 S N 0.813 116.472 115.700 -0.069 0.000 2.661 853 S HA 0.566 5.039 4.470 0.006 0.000 0.285 853 S C -0.640 174.128 174.600 0.278 0.000 1.138 853 S CA -1.076 57.219 58.200 0.158 0.000 0.855 853 S CB 1.252 64.519 63.200 0.112 0.000 1.136 853 S HN 0.328 nan 8.310 nan 0.000 0.484 854 L N 0.658 122.081 121.223 0.334 0.000 2.365 854 L HA 0.765 5.109 4.340 0.006 0.000 0.267 854 L C -1.280 175.815 176.870 0.375 0.000 1.033 854 L CA -0.863 54.188 54.840 0.352 0.000 0.802 854 L CB 1.433 43.723 42.059 0.385 0.000 1.267 854 L HN 0.800 nan 8.230 nan 0.000 0.457 855 F N 1.271 121.302 119.950 0.135 0.000 2.881 855 F HA 0.414 4.944 4.527 0.005 0.000 0.348 855 F C -1.720 174.111 175.800 0.050 0.000 1.240 855 F CA -0.578 57.494 58.000 0.120 0.000 1.130 855 F CB 0.842 39.866 39.000 0.041 0.000 1.417 855 F HN 0.020 nan 8.300 nan 0.000 0.585 856 F N 5.587 125.264 119.950 -0.455 0.000 2.402 856 F HA 0.600 5.132 4.527 0.009 0.000 0.355 856 F C 0.063 175.538 175.800 -0.542 0.000 1.123 856 F CA -0.663 57.132 58.000 -0.341 0.000 1.021 856 F CB 1.700 40.633 39.000 -0.111 0.000 1.160 856 F HN 0.406 nan 8.300 nan 0.000 0.451 857 R N 1.324 121.645 120.500 -0.298 0.000 2.514 857 R HA 0.723 5.067 4.340 0.006 0.000 0.301 857 R C -1.038 175.220 176.300 -0.069 0.000 0.962 857 R CA -0.354 55.596 56.100 -0.249 0.000 0.882 857 R CB 1.289 31.476 30.300 -0.188 0.000 1.143 857 R HN 0.647 nan 8.270 nan 0.000 0.452 858 S N 2.844 118.423 115.700 -0.203 0.000 2.473 858 S HA 0.477 4.951 4.470 0.006 0.000 0.307 858 S C -1.411 173.006 174.600 -0.305 0.000 1.094 858 S CA -0.558 57.580 58.200 -0.103 0.000 1.070 858 S CB 0.805 63.968 63.200 -0.062 0.000 1.019 858 S HN 0.407 nan 8.310 nan 0.000 0.480 859 Y N 1.487 121.760 120.300 -0.044 0.000 2.587 859 Y HA 0.731 5.286 4.550 0.009 0.000 0.337 859 Y C 0.207 176.058 175.900 -0.082 0.000 1.065 859 Y CA -1.130 56.943 58.100 -0.044 0.000 1.126 859 Y CB 1.370 39.807 38.460 -0.038 0.000 1.279 859 Y HN 0.447 nan 8.280 nan 0.000 0.489 860 M N 1.615 121.259 119.600 0.074 0.000 2.414 860 M HA 0.376 4.860 4.480 0.006 0.000 0.287 860 M C -2.516 173.790 176.300 0.009 0.000 1.181 860 M CA -0.300 54.970 55.300 -0.051 0.000 0.933 860 M CB 2.505 35.077 32.600 -0.047 0.000 1.732 860 M HN 0.776 nan 8.290 nan 0.000 0.486 861 D N 2.002 122.379 120.400 -0.039 0.000 2.654 861 D HA 0.473 5.117 4.640 0.006 0.000 0.231 861 D C -1.462 174.973 176.300 0.225 0.000 1.239 861 D CA -0.175 53.908 54.000 0.139 0.000 0.790 861 D CB 2.350 43.314 40.800 0.273 0.000 1.480 861 D HN 0.641 nan 8.370 nan 0.000 0.442 862 Q N 0.182 120.162 119.800 0.301 0.000 3.017 862 Q HA 0.549 4.893 4.340 0.006 0.000 0.299 862 Q C -0.566 175.568 176.000 0.223 0.000 1.046 862 Q CA -0.911 55.101 55.803 0.348 0.000 0.821 862 Q CB 2.214 31.145 28.738 0.320 0.000 1.481 862 Q HN 0.261 nan 8.270 nan 0.000 0.494 863 E N 0.885 121.180 120.200 0.158 0.000 2.263 863 E HA 0.337 4.691 4.350 0.006 0.000 0.264 863 E C -1.087 175.523 176.600 0.016 0.000 0.923 863 E CA -0.724 55.683 56.400 0.012 0.000 0.802 863 E CB 2.104 31.818 29.700 0.023 0.000 1.228 863 E HN 0.605 nan 8.360 nan 0.000 0.417 864 K N 0.487 120.868 120.400 -0.031 0.000 1.786 864 K HA -0.347 3.977 4.320 0.006 0.000 0.615 864 K C -0.563 176.052 176.600 0.025 0.000 1.705 864 K CA 1.823 58.104 56.287 -0.011 0.000 1.113 864 K CB -0.481 32.011 32.500 -0.013 0.000 1.859 864 K HN 0.792 nan 8.250 nan 0.000 0.668 865 K N -1.862 118.558 120.400 0.033 0.000 1.684 865 K HA 0.248 4.572 4.320 0.006 0.000 0.298 865 K C -0.491 176.163 176.600 0.091 0.000 0.860 865 K CA -0.519 55.813 56.287 0.074 0.000 0.413 865 K CB -0.229 32.331 32.500 0.100 0.000 3.134 865 K HN 0.727 nan 8.250 nan 0.000 1.114 866 Y N 2.574 122.881 120.300 0.012 0.000 2.903 866 Y HA 0.202 4.756 4.550 0.006 0.000 0.338 866 Y C 0.644 176.550 175.900 0.010 0.000 1.265 866 Y CA 0.407 58.514 58.100 0.012 0.000 1.532 866 Y CB 0.008 38.475 38.460 0.011 0.000 1.293 866 Y HN 0.608 nan 8.280 nan 0.000 0.609 867 G N 5.213 113.861 108.800 -0.253 0.000 2.568 867 G HA2 0.123 4.087 3.960 0.006 0.000 0.231 867 G HA3 0.123 4.087 3.960 0.006 0.000 0.231 867 G C 0.036 174.633 174.900 -0.505 0.000 1.261 867 G CA -0.014 44.903 45.100 -0.305 0.000 0.855 867 G HN 0.914 nan 8.290 nan 0.000 0.576 868 M N 0.168 119.608 119.600 -0.267 0.000 2.211 868 M HA 0.268 4.752 4.480 0.006 0.000 0.338 868 M C 0.592 176.839 176.300 -0.088 0.000 0.893 868 M CA 0.334 55.552 55.300 -0.137 0.000 1.096 868 M CB 0.663 33.209 32.600 -0.090 0.000 1.923 868 M HN 0.806 nan 8.290 nan 0.000 0.656 869 S N 1.021 116.667 115.700 -0.089 0.000 3.327 869 S HA -0.114 4.360 4.470 0.006 0.000 0.844 869 S C -0.096 174.412 174.600 -0.153 0.000 1.110 869 S CA -0.039 58.089 58.200 -0.121 0.000 1.105 869 S CB -0.483 62.631 63.200 -0.143 0.000 0.752 869 S HN 0.509 nan 8.310 nan 0.000 0.279 870 I N 1.644 122.137 120.570 -0.129 0.000 8.033 870 I HA -0.198 3.976 4.170 0.006 0.000 0.126 870 I C 0.043 176.120 176.117 -0.067 0.000 1.834 870 I CA 1.257 62.497 61.300 -0.100 0.000 2.071 870 I CB -1.531 36.394 38.000 -0.126 0.000 3.728 870 I HN 0.748 nan 8.210 nan 0.000 0.180 871 T N 5.543 120.065 114.554 -0.054 0.000 2.841 871 T HA 0.432 4.785 4.350 0.006 0.000 0.285 871 T C -0.243 174.418 174.700 -0.064 0.000 0.991 871 T CA -0.884 61.186 62.100 -0.049 0.000 0.966 871 T CB 2.061 70.904 68.868 -0.040 0.000 0.962 871 T HN 0.362 nan 8.240 nan 0.000 0.438 872 E N 1.803 121.951 120.200 -0.087 0.000 2.331 872 E HA 0.481 4.835 4.350 0.006 0.000 0.272 872 E C -0.389 176.092 176.600 -0.200 0.000 1.036 872 E CA -0.421 55.888 56.400 -0.152 0.000 0.864 872 E CB 0.812 30.394 29.700 -0.197 0.000 1.035 872 E HN 0.482 nan 8.360 nan 0.000 0.408 873 T N 2.530 116.952 114.554 -0.221 0.000 2.881 873 T HA 0.337 4.691 4.350 0.006 0.000 0.290 873 T C -0.647 173.922 174.700 -0.218 0.000 1.000 873 T CA -0.716 61.278 62.100 -0.177 0.000 0.978 873 T CB 0.425 69.261 68.868 -0.055 0.000 0.997 873 T HN 0.208 nan 8.240 nan 0.000 0.443 874 F N 3.288 123.250 119.950 0.021 0.000 2.467 874 F HA 0.467 4.997 4.527 0.005 0.000 0.362 874 F C 1.249 177.060 175.800 0.018 0.000 1.090 874 F CA -0.122 57.890 58.000 0.021 0.000 1.202 874 F CB 0.618 39.629 39.000 0.019 0.000 1.113 874 F HN 0.658 nan 8.300 nan 0.000 0.541 875 E N 0.655 120.973 120.200 0.196 0.000 2.435 875 E HA 0.289 4.642 4.350 0.006 0.000 0.277 875 E C -1.763 174.900 176.600 0.106 0.000 1.106 875 E CA -1.441 55.029 56.400 0.118 0.000 0.868 875 E CB 1.057 30.796 29.700 0.065 0.000 1.454 875 E HN 0.274 nan 8.360 nan 0.000 0.452 876 K N 2.119 122.563 120.400 0.074 0.000 2.292 876 K HA 0.277 4.601 4.320 0.006 0.000 0.290 876 K C -2.211 174.399 176.600 0.017 0.000 1.083 876 K CA -1.640 54.687 56.287 0.067 0.000 0.918 876 K CB 0.477 33.011 32.500 0.057 0.000 1.089 876 K HN 0.244 nan 8.250 nan 0.000 0.473 877 P HA 0.087 nan 4.420 nan 0.000 0.271 877 P C -1.060 176.162 177.300 -0.130 0.000 1.218 877 P CA 0.057 63.094 63.100 -0.105 0.000 0.780 877 P CB 1.074 32.655 31.700 -0.199 0.000 0.901 878 Q N -0.650 119.085 119.800 -0.109 0.000 2.288 878 Q HA -0.103 4.240 4.340 0.006 0.000 0.277 878 Q C -0.631 175.294 176.000 -0.124 0.000 1.212 878 Q CA 0.363 56.110 55.803 -0.094 0.000 0.676 878 Q CB -1.741 26.952 28.738 -0.076 0.000 1.083 878 Q HN 0.575 nan 8.270 nan 0.000 0.390 879 R N -0.441 119.985 120.500 -0.124 0.000 2.490 879 R HA 0.506 4.850 4.340 0.006 0.000 0.278 879 R C 0.661 176.916 176.300 -0.076 0.000 1.069 879 R CA 1.046 57.075 56.100 -0.118 0.000 1.080 879 R CB 0.711 30.947 30.300 -0.107 0.000 1.030 879 R HN 0.393 nan 8.270 nan 0.000 0.491 880 T N 1.371 115.884 114.554 -0.068 0.000 5.686 880 T HA -0.205 4.149 4.350 0.006 0.000 0.270 880 T C -0.881 173.788 174.700 -0.051 0.000 2.206 880 T CA 1.562 63.632 62.100 -0.050 0.000 3.748 880 T CB -1.361 67.485 68.868 -0.037 0.000 0.697 880 T HN 0.888 nan 8.240 nan 0.000 1.085 881 N N 0.500 119.161 118.700 -0.065 0.000 2.569 881 N HA 0.550 5.294 4.740 0.006 0.000 0.254 881 N C 0.304 175.773 175.510 -0.069 0.000 1.004 881 N CA 0.214 53.228 53.050 -0.060 0.000 0.904 881 N CB 1.334 39.787 38.487 -0.057 0.000 1.165 881 N HN 0.279 nan 8.380 nan 0.000 0.513 882 T N -0.505 114.017 114.554 -0.054 0.000 13.888 882 T HA -0.198 4.156 4.350 0.006 0.000 0.416 882 T C 0.755 175.425 174.700 -0.050 0.000 1.463 882 T CA 0.691 62.762 62.100 -0.050 0.000 2.377 882 T CB -0.854 67.982 68.868 -0.053 0.000 2.738 882 T HN 0.358 nan 8.240 nan 0.000 0.343 883 L N -0.531 120.652 121.223 -0.066 0.000 2.672 883 L HA 0.519 4.862 4.340 0.006 0.000 0.236 883 L C 0.787 177.605 176.870 -0.087 0.000 1.092 883 L CA 0.663 55.447 54.840 -0.094 0.000 0.887 883 L CB -0.833 41.150 42.059 -0.127 0.000 1.168 883 L HN 0.467 nan 8.230 nan 0.000 0.502 884 R N 1.173 121.632 120.500 -0.068 0.000 3.358 884 R HA -0.139 4.204 4.340 0.006 0.000 0.248 884 R C 0.032 176.311 176.300 -0.035 0.000 0.981 884 R CA 0.725 56.796 56.100 -0.048 0.000 0.662 884 R CB -1.976 28.313 30.300 -0.018 0.000 1.037 884 R HN 0.548 nan 8.270 nan 0.000 0.460 885 M N 0.110 119.667 119.600 -0.072 0.000 2.255 885 M HA 0.109 4.593 4.480 0.006 0.000 0.336 885 M C 1.153 177.491 176.300 0.062 0.000 1.135 885 M CA -0.158 55.147 55.300 0.008 0.000 1.145 885 M CB 0.683 33.232 32.600 -0.085 0.000 1.473 885 M HN -0.263 nan 8.290 nan 0.000 0.462 886 K N 1.688 122.231 120.400 0.239 0.000 3.358 886 K HA 0.006 4.329 4.320 0.006 0.000 0.297 886 K C 0.303 177.038 176.600 0.225 0.000 1.064 886 K CA 0.451 56.851 56.287 0.188 0.000 1.144 886 K CB -1.046 31.529 32.500 0.125 0.000 1.289 886 K HN 0.585 nan 8.250 nan 0.000 0.372 887 H N -3.010 116.133 119.070 0.122 0.000 5.117 887 H HA -0.276 4.282 4.556 0.003 0.000 0.093 887 H C 1.105 176.486 175.328 0.088 0.000 0.582 887 H CA 1.786 57.885 56.048 0.084 0.000 1.162 887 H CB -1.114 28.679 29.762 0.052 0.000 0.636 887 H HN 0.559 nan 8.280 nan 0.000 0.609 888 G N -0.054 108.859 108.800 0.189 0.000 2.735 888 G HA2 0.357 4.320 3.960 0.006 0.000 0.192 888 G HA3 0.357 4.320 3.960 0.006 0.000 0.192 888 G C 0.145 175.118 174.900 0.122 0.000 1.547 888 G CA 0.544 45.708 45.100 0.106 0.000 1.080 888 G HN 0.445 nan 8.290 nan 0.000 0.569 889 T N -2.946 111.637 114.554 0.049 0.000 2.786 889 T HA 0.450 4.803 4.350 0.006 0.000 0.283 889 T C -0.746 173.971 174.700 0.028 0.000 0.992 889 T CA -0.592 61.557 62.100 0.082 0.000 0.954 889 T CB 1.364 70.257 68.868 0.041 0.000 0.934 889 T HN 0.290 nan 8.240 nan 0.000 0.440 890 Y N 1.337 121.637 120.300 0.001 0.000 2.718 890 Y HA 0.240 4.792 4.550 0.002 0.000 0.322 890 Y C 1.095 176.993 175.900 -0.003 0.000 1.122 890 Y CA -0.870 57.229 58.100 -0.002 0.000 1.348 890 Y CB -0.029 38.431 38.460 -0.000 0.000 1.174 890 Y HN 0.691 nan 8.280 nan 0.000 0.523 891 D N -0.437 120.019 120.400 0.094 0.000 2.350 891 D HA 0.001 4.645 4.640 0.006 0.000 0.213 891 D C 0.722 177.038 176.300 0.028 0.000 1.031 891 D CA 0.519 54.554 54.000 0.059 0.000 0.861 891 D CB 0.264 41.090 40.800 0.044 0.000 0.926 891 D HN 0.299 nan 8.370 nan 0.000 0.520 892 K N 0.631 121.034 120.400 0.006 0.000 2.811 892 K HA 0.308 4.632 4.320 0.006 0.000 0.217 892 K C -0.284 176.308 176.600 -0.012 0.000 1.115 892 K CA 0.029 56.309 56.287 -0.013 0.000 1.179 892 K CB 0.449 32.928 32.500 -0.035 0.000 0.994 892 K HN -0.047 nan 8.250 nan 0.000 0.464 893 L N 0.356 121.588 121.223 0.015 0.000 2.409 893 L HA 0.346 4.690 4.340 0.006 0.000 0.272 893 L C 0.009 176.897 176.870 0.030 0.000 0.980 893 L CA -1.009 53.844 54.840 0.023 0.000 0.826 893 L CB 1.851 43.945 42.059 0.058 0.000 1.268 893 L HN 0.106 nan 8.230 nan 0.000 0.407 894 D N 1.403 121.813 120.400 0.017 0.000 2.228 894 D HA -0.009 4.635 4.640 0.006 0.000 0.259 894 D C 0.047 176.363 176.300 0.028 0.000 1.249 894 D CA -0.066 53.944 54.000 0.017 0.000 0.997 894 D CB 0.951 41.755 40.800 0.007 0.000 1.151 894 D HN 0.573 nan 8.370 nan 0.000 0.536 895 D N -0.184 120.230 120.400 0.024 0.000 2.340 895 D HA -0.065 4.579 4.640 0.006 0.000 0.220 895 D C 0.726 177.048 176.300 0.036 0.000 1.039 895 D CA 0.401 54.418 54.000 0.028 0.000 0.866 895 D CB 0.176 40.988 40.800 0.020 0.000 0.913 895 D HN 0.361 nan 8.370 nan 0.000 0.523 896 D N -1.097 119.326 120.400 0.038 0.000 2.441 896 D HA 0.102 4.746 4.640 0.006 0.000 0.210 896 D C 1.533 177.880 176.300 0.079 0.000 1.102 896 D CA 0.596 54.627 54.000 0.051 0.000 0.840 896 D CB 0.658 41.476 40.800 0.029 0.000 0.990 896 D HN 0.182 nan 8.370 nan 0.000 0.505 897 G N 0.264 109.108 108.800 0.072 0.000 2.697 897 G HA2 -0.154 3.810 3.960 0.006 0.000 0.200 897 G HA3 -0.154 3.810 3.960 0.006 0.000 0.200 897 G C 0.043 174.974 174.900 0.050 0.000 1.106 897 G CA -0.077 45.086 45.100 0.105 0.000 0.748 897 G HN 0.313 nan 8.290 nan 0.000 0.503 898 L N 2.090 123.305 121.223 -0.013 0.000 2.479 898 L HA 0.685 5.028 4.340 0.006 0.000 0.249 898 L C 1.032 177.878 176.870 -0.039 0.000 1.178 898 L CA -1.057 53.749 54.840 -0.056 0.000 0.811 898 L CB 0.335 42.330 42.059 -0.105 0.000 1.187 898 L HN 0.233 nan 8.230 nan 0.000 0.480 899 I N 0.291 120.827 120.570 -0.057 0.000 2.612 899 I HA 0.457 4.631 4.170 0.006 0.000 0.295 899 I C 0.493 176.584 176.117 -0.043 0.000 1.011 899 I CA -0.440 60.831 61.300 -0.049 0.000 1.326 899 I CB 1.009 38.971 38.000 -0.064 0.000 1.427 899 I HN 0.653 nan 8.210 nan 0.000 0.537 900 A N 5.317 128.117 122.820 -0.032 0.000 2.302 900 A HA 0.622 4.945 4.320 0.006 0.000 0.285 900 A C -2.449 175.118 177.584 -0.028 0.000 1.105 900 A CA -1.525 50.496 52.037 -0.028 0.000 0.816 900 A CB -0.226 18.762 19.000 -0.019 0.000 1.067 900 A HN 0.476 nan 8.150 nan 0.000 0.489 901 P HA 0.400 nan 4.420 nan 0.000 0.276 901 P C 0.865 178.154 177.300 -0.018 0.000 1.243 901 P CA 1.267 64.354 63.100 -0.021 0.000 0.768 901 P CB 1.067 32.758 31.700 -0.013 0.000 0.856 902 G N 1.564 110.352 108.800 -0.021 0.000 2.541 902 G HA2 -0.187 3.777 3.960 0.006 0.000 0.201 902 G HA3 -0.187 3.777 3.960 0.006 0.000 0.201 902 G C -0.053 174.835 174.900 -0.020 0.000 1.026 902 G CA -0.277 44.813 45.100 -0.018 0.000 0.687 902 G HN 0.488 nan 8.290 nan 0.000 0.492 903 V N 3.133 123.034 119.914 -0.023 0.000 2.694 903 V HA 0.231 4.355 4.120 0.006 0.000 0.306 903 V C 1.175 177.253 176.094 -0.028 0.000 1.054 903 V CA 0.328 62.614 62.300 -0.024 0.000 1.161 903 V CB 0.628 32.435 31.823 -0.027 0.000 0.916 903 V HN 0.442 nan 8.190 nan 0.000 0.490 904 R N 2.871 123.357 120.500 -0.024 0.000 2.390 904 R HA 0.608 4.952 4.340 0.006 0.000 0.291 904 R C -0.618 175.663 176.300 -0.032 0.000 1.070 904 R CA -0.381 55.705 56.100 -0.024 0.000 1.014 904 R CB 1.439 31.730 30.300 -0.016 0.000 1.007 904 R HN 0.708 nan 8.270 nan 0.000 0.466 905 V N -1.083 118.810 119.914 -0.035 0.000 2.876 905 V HA 0.808 4.932 4.120 0.006 0.000 0.312 905 V C -0.533 175.541 176.094 -0.034 0.000 1.085 905 V CA -0.880 61.392 62.300 -0.046 0.000 0.945 905 V CB 2.085 33.865 31.823 -0.072 0.000 1.017 905 V HN 0.936 nan 8.190 nan 0.000 0.428 906 S N 0.348 116.026 115.700 -0.036 0.000 2.567 906 S HA 0.883 5.357 4.470 0.006 0.000 0.270 906 S C 0.385 174.971 174.600 -0.024 0.000 1.152 906 S CA 0.103 58.290 58.200 -0.021 0.000 0.835 906 S CB 0.968 64.160 63.200 -0.013 0.000 1.115 906 S HN 2.610 nan 8.310 nan 0.000 0.459 907 G N 1.867 110.661 108.800 -0.010 0.000 2.660 907 G HA2 -0.317 3.646 3.960 0.006 0.000 0.321 907 G HA3 -0.317 3.646 3.960 0.006 0.000 0.321 907 G C -0.073 174.816 174.900 -0.018 0.000 1.246 907 G CA 0.781 45.877 45.100 -0.007 0.000 1.000 907 G HN 0.999 nan 8.290 nan 0.000 0.550 908 E N 1.838 122.025 120.200 -0.022 0.000 2.354 908 E HA 0.322 4.676 4.350 0.006 0.000 0.252 908 E C -0.884 175.665 176.600 -0.084 0.000 1.330 908 E CA -0.247 56.132 56.400 -0.036 0.000 1.658 908 E CB 0.129 29.828 29.700 -0.003 0.000 1.460 908 E HN 0.346 nan 8.360 nan 0.000 0.435 909 D N 0.844 121.183 120.400 -0.102 0.000 2.312 909 D HA 0.058 4.702 4.640 0.006 0.000 0.252 909 D C 0.050 176.218 176.300 -0.220 0.000 1.150 909 D CA -0.207 53.704 54.000 -0.149 0.000 0.870 909 D CB 1.300 42.032 40.800 -0.113 0.000 1.153 909 D HN -0.090 nan 8.370 nan 0.000 0.457 910 V N 3.323 123.036 119.914 -0.335 0.000 2.924 910 V HA 0.123 4.247 4.120 0.006 0.000 0.305 910 V C 1.508 177.445 176.094 -0.260 0.000 1.073 910 V CA 0.058 62.119 62.300 -0.397 0.000 1.098 910 V CB 1.096 32.444 31.823 -0.792 0.000 1.000 910 V HN 0.546 nan 8.190 nan 0.000 0.484 911 I N 1.651 122.089 120.570 -0.220 0.000 3.873 911 I HA 0.311 4.484 4.170 0.006 0.000 0.284 911 I C 0.003 176.053 176.117 -0.111 0.000 1.186 911 I CA 0.546 61.731 61.300 -0.190 0.000 1.362 911 I CB 0.716 38.538 38.000 -0.297 0.000 1.432 911 I HN 0.433 nan 8.210 nan 0.000 0.454 912 I N 1.008 121.543 120.570 -0.058 0.000 2.468 912 I HA 0.427 4.601 4.170 0.006 0.000 0.285 912 I C -0.228 175.978 176.117 0.149 0.000 1.039 912 I CA -0.556 60.768 61.300 0.041 0.000 1.074 912 I CB 1.735 39.760 38.000 0.042 0.000 1.228 912 I HN -0.075 nan 8.210 nan 0.000 0.436 913 G N 5.651 114.578 108.800 0.212 0.000 2.372 913 G HA2 0.725 4.688 3.960 0.006 0.000 0.323 913 G HA3 0.725 4.688 3.960 0.006 0.000 0.323 913 G C -0.872 174.179 174.900 0.252 0.000 1.152 913 G CA -0.464 44.797 45.100 0.269 0.000 0.906 913 G HN 0.699 nan 8.290 nan 0.000 0.460 914 K N -0.094 120.392 120.400 0.144 0.000 2.509 914 K HA 0.794 5.118 4.320 0.006 0.000 0.266 914 K C -0.951 175.621 176.600 -0.046 0.000 0.987 914 K CA -0.869 55.412 56.287 -0.010 0.000 0.868 914 K CB 2.001 34.327 32.500 -0.291 0.000 1.421 914 K HN 0.472 nan 8.250 nan 0.000 0.444 915 T N -1.336 113.166 114.554 -0.087 0.000 2.856 915 T HA 0.377 4.731 4.350 0.006 0.000 0.283 915 T C -0.518 174.131 174.700 -0.084 0.000 1.008 915 T CA -0.791 61.268 62.100 -0.069 0.000 0.997 915 T CB 1.554 70.391 68.868 -0.052 0.000 0.992 915 T HN 0.629 nan 8.240 nan 0.000 0.454 916 T N 2.868 117.387 114.554 -0.059 0.000 2.934 916 T HA 0.516 4.869 4.350 0.006 0.000 0.328 916 T C -2.819 171.862 174.700 -0.031 0.000 1.068 916 T CA -1.798 60.272 62.100 -0.049 0.000 1.018 916 T CB 0.634 69.479 68.868 -0.039 0.000 1.009 916 T HN 0.499 nan 8.240 nan 0.000 0.471 917 P HA 0.501 nan 4.420 nan 0.000 0.274 917 P C -0.872 176.420 177.300 -0.012 0.000 1.231 917 P CA -0.687 62.400 63.100 -0.023 0.000 0.790 917 P CB 0.865 32.550 31.700 -0.025 0.000 0.951 918 I N 0.865 121.430 120.570 -0.007 0.000 2.775 918 I HA 0.216 4.390 4.170 0.006 0.000 0.295 918 I C 0.022 176.140 176.117 0.001 0.000 1.287 918 I CA -0.280 61.021 61.300 0.002 0.000 1.029 918 I CB 2.222 40.229 38.000 0.010 0.000 1.282 918 I HN 0.581 nan 8.210 nan 0.000 0.426 936 D N 1.104 121.493 120.400 -0.019 0.000 2.255 936 D HA 0.568 5.212 4.640 0.006 0.000 0.249 936 D C -0.445 175.868 176.300 0.023 0.000 1.078 936 D CA 0.316 54.315 54.000 -0.002 0.000 0.896 936 D CB 1.761 42.559 40.800 -0.004 0.000 1.194 936 D HN 0.587 nan 8.370 nan 0.000 0.429 937 A N 2.178 125.023 122.820 0.042 0.000 2.602 937 A HA 0.293 4.617 4.320 0.006 0.000 0.238 937 A C 0.207 177.843 177.584 0.086 0.000 0.863 937 A CA -0.294 51.775 52.037 0.053 0.000 1.148 937 A CB -0.661 18.355 19.000 0.028 0.000 1.227 937 A HN 0.478 nan 8.150 nan 0.000 0.460 938 S N -0.163 115.612 115.700 0.125 0.000 2.589 938 S HA 0.468 4.941 4.470 0.006 0.000 0.265 938 S C 0.171 174.831 174.600 0.099 0.000 1.342 938 S CA 0.262 58.552 58.200 0.151 0.000 1.005 938 S CB 0.587 63.944 63.200 0.261 0.000 0.909 938 S HN 0.370 nan 8.310 nan 0.000 0.555 939 T N 3.132 117.721 114.554 0.058 0.000 3.064 939 T HA 0.429 4.783 4.350 0.006 0.000 0.367 939 T C -2.563 172.093 174.700 -0.074 0.000 1.202 939 T CA -1.024 61.091 62.100 0.026 0.000 1.133 939 T CB 0.963 69.875 68.868 0.074 0.000 1.074 939 T HN 0.531 nan 8.240 nan 0.000 0.519 940 P HA 0.247 nan 4.420 nan 0.000 0.273 940 P C 0.372 177.586 177.300 -0.144 0.000 1.250 940 P CA -0.670 62.343 63.100 -0.145 0.000 0.793 940 P CB 1.175 32.813 31.700 -0.103 0.000 1.011 941 L N 0.979 122.091 121.223 -0.186 0.000 2.456 941 L HA 0.093 4.436 4.340 0.006 0.000 0.246 941 L C 1.302 178.190 176.870 0.029 0.000 1.238 941 L CA -0.385 54.363 54.840 -0.155 0.000 0.826 941 L CB 0.245 42.222 42.059 -0.136 0.000 1.150 941 L HN 0.282 nan 8.230 nan 0.000 0.514 942 R N 0.698 121.279 120.500 0.134 0.000 2.449 942 R HA 0.023 4.366 4.340 0.006 0.000 0.296 942 R C 1.325 177.667 176.300 0.071 0.000 1.047 942 R CA 0.465 56.639 56.100 0.123 0.000 1.018 942 R CB 0.409 30.801 30.300 0.153 0.000 0.962 942 R HN 0.809 nan 8.270 nan 0.000 0.428 943 S N 1.800 117.533 115.700 0.055 0.000 2.399 943 S HA -0.256 4.217 4.470 0.006 0.000 0.235 943 S C 1.649 176.273 174.600 0.039 0.000 1.063 943 S CA 2.320 60.545 58.200 0.041 0.000 1.070 943 S CB -0.512 62.716 63.200 0.046 0.000 0.904 943 S HN 0.795 nan 8.310 nan 0.000 0.456 944 T N -0.961 113.621 114.554 0.047 0.000 3.081 944 T HA 0.278 4.631 4.350 0.006 0.000 0.250 944 T C 0.431 175.148 174.700 0.028 0.000 1.100 944 T CA -0.165 61.956 62.100 0.037 0.000 1.038 944 T CB -0.063 68.828 68.868 0.039 0.000 0.962 944 T HN 0.470 nan 8.240 nan 0.000 0.516 945 E N 2.264 122.492 120.200 0.048 0.000 2.267 945 E HA 0.559 4.912 4.350 0.006 0.000 0.258 945 E C -0.476 176.151 176.600 0.045 0.000 1.074 945 E CA -0.978 55.458 56.400 0.059 0.000 0.915 945 E CB 0.782 30.565 29.700 0.138 0.000 1.186 945 E HN 0.503 nan 8.360 nan 0.000 0.439 946 N N -0.854 117.877 118.700 0.052 0.000 4.104 946 N HA 0.386 5.130 4.740 0.006 0.000 0.214 946 N C -0.519 175.013 175.510 0.037 0.000 1.270 946 N CA -0.161 52.905 53.050 0.027 0.000 0.894 946 N CB 1.044 39.536 38.487 0.008 0.000 1.495 946 N HN 0.697 nan 8.380 nan 0.000 0.506 947 G N -0.395 108.414 108.800 0.015 0.000 2.491 947 G HA2 0.390 4.354 3.960 0.006 0.000 0.183 947 G HA3 0.390 4.354 3.960 0.006 0.000 0.183 947 G C -2.099 172.793 174.900 -0.013 0.000 1.221 947 G CA -0.307 44.798 45.100 0.009 0.000 0.996 947 G HN 0.644 nan 8.290 nan 0.000 0.474 948 I N 0.600 121.153 120.570 -0.027 0.000 2.569 948 I HA 0.496 4.670 4.170 0.006 0.000 0.290 948 I C 0.233 176.317 176.117 -0.055 0.000 1.088 948 I CA -0.882 60.395 61.300 -0.038 0.000 1.047 948 I CB 2.081 40.061 38.000 -0.034 0.000 1.237 948 I HN 0.381 nan 8.210 nan 0.000 0.421 949 V N 4.536 124.422 119.914 -0.047 0.000 2.585 949 V HA 0.024 4.148 4.120 0.006 0.000 0.296 949 V C 0.860 176.933 176.094 -0.035 0.000 1.035 949 V CA 0.205 62.480 62.300 -0.042 0.000 1.084 949 V CB 0.786 32.584 31.823 -0.042 0.000 0.953 949 V HN 0.907 nan 8.190 nan 0.000 0.483 950 D N 2.440 122.828 120.400 -0.020 0.000 2.394 950 D HA 0.098 4.742 4.640 0.006 0.000 0.226 950 D C 0.472 176.795 176.300 0.039 0.000 0.990 950 D CA 0.648 54.657 54.000 0.015 0.000 0.902 950 D CB 0.904 41.739 40.800 0.059 0.000 1.038 950 D HN 0.724 nan 8.370 nan 0.000 0.499 951 Q N -0.294 119.529 119.800 0.038 0.000 2.426 951 Q HA 0.366 4.710 4.340 0.006 0.000 0.278 951 Q C -1.672 174.329 176.000 0.001 0.000 1.007 951 Q CA -0.579 55.236 55.803 0.020 0.000 0.850 951 Q CB 3.389 32.147 28.738 0.033 0.000 1.427 951 Q HN -0.182 nan 8.270 nan 0.000 0.391 952 V N 3.001 122.902 119.914 -0.021 0.000 2.289 952 V HA 0.313 4.436 4.120 0.006 0.000 0.272 952 V C -0.660 175.401 176.094 -0.055 0.000 1.026 952 V CA -0.424 61.847 62.300 -0.049 0.000 0.807 952 V CB 1.075 32.857 31.823 -0.068 0.000 1.044 952 V HN 0.628 nan 8.190 nan 0.000 0.443 953 L N 5.415 126.606 121.223 -0.053 0.000 2.315 953 L HA 0.432 4.776 4.340 0.006 0.000 0.283 953 L C -0.331 176.501 176.870 -0.062 0.000 1.089 953 L CA 0.248 55.068 54.840 -0.034 0.000 0.833 953 L CB 1.147 43.205 42.059 -0.002 0.000 1.170 953 L HN 0.390 nan 8.230 nan 0.000 0.442 954 V N 4.356 124.250 119.914 -0.033 0.000 2.350 954 V HA 0.572 4.695 4.120 0.006 0.000 0.285 954 V C 0.021 176.145 176.094 0.050 0.000 1.014 954 V CA -0.333 61.949 62.300 -0.031 0.000 0.831 954 V CB 1.501 33.286 31.823 -0.063 0.000 1.000 954 V HN 0.865 nan 8.190 nan 0.000 0.433 955 T N 2.133 116.772 114.554 0.143 0.000 2.716 955 T HA 0.538 4.892 4.350 0.006 0.000 0.286 955 T C -0.330 174.489 174.700 0.198 0.000 1.052 955 T CA -0.526 61.672 62.100 0.165 0.000 1.024 955 T CB 2.144 71.125 68.868 0.188 0.000 1.349 955 T HN 0.601 nan 8.240 nan 0.000 0.525 956 T N 0.460 115.085 114.554 0.119 0.000 2.950 956 T HA 0.565 4.919 4.350 0.006 0.000 0.288 956 T C -0.392 174.308 174.700 0.000 0.000 1.035 956 T CA -0.595 61.560 62.100 0.091 0.000 1.028 956 T CB 1.283 70.186 68.868 0.057 0.000 1.109 956 T HN 0.461 nan 8.240 nan 0.000 0.514 957 N N 0.397 119.089 118.700 -0.014 0.000 2.604 957 N HA 0.369 5.112 4.740 0.006 0.000 0.297 957 N C 1.177 176.660 175.510 -0.046 0.000 1.266 957 N CA -0.463 52.529 53.050 -0.096 0.000 0.961 957 N CB 1.144 39.578 38.487 -0.088 0.000 1.166 957 N HN 0.669 nan 8.380 nan 0.000 0.601 958 Q N -0.361 119.411 119.800 -0.048 0.000 2.020 958 Q HA -0.117 4.226 4.340 0.006 0.000 0.202 958 Q C 0.391 176.393 176.000 0.003 0.000 0.982 958 Q CA 1.317 57.111 55.803 -0.015 0.000 0.838 958 Q CB -0.048 28.687 28.738 -0.005 0.000 0.899 958 Q HN 0.575 nan 8.270 nan 0.000 0.423 959 D N -1.018 119.388 120.400 0.010 0.000 2.264 959 D HA -0.048 4.596 4.640 0.006 0.000 0.208 959 D C 0.444 176.760 176.300 0.026 0.000 0.966 959 D CA 1.205 55.219 54.000 0.023 0.000 0.864 959 D CB 0.262 41.081 40.800 0.032 0.000 0.933 959 D HN 0.468 nan 8.370 nan 0.000 0.499 960 G N 0.351 109.167 108.800 0.026 0.000 2.618 960 G HA2 -0.137 3.826 3.960 0.006 0.000 0.180 960 G HA3 -0.137 3.826 3.960 0.006 0.000 0.180 960 G C -0.405 174.527 174.900 0.054 0.000 1.092 960 G CA -0.323 44.798 45.100 0.034 0.000 0.856 960 G HN 0.215 nan 8.290 nan 0.000 0.496 961 L N -0.087 121.179 121.223 0.072 0.000 2.381 961 L HA 0.565 4.909 4.340 0.006 0.000 0.274 961 L C 0.538 177.516 176.870 0.181 0.000 0.988 961 L CA -1.081 53.830 54.840 0.118 0.000 0.824 961 L CB 2.113 44.245 42.059 0.121 0.000 1.263 961 L HN 0.156 nan 8.230 nan 0.000 0.410 962 K N 2.508 123.040 120.400 0.219 0.000 2.412 962 K HA 0.282 4.606 4.320 0.006 0.000 0.281 962 K C -1.387 175.448 176.600 0.392 0.000 1.027 962 K CA -0.015 56.439 56.287 0.278 0.000 0.989 962 K CB 0.600 33.272 32.500 0.287 0.000 0.935 962 K HN 0.468 nan 8.250 nan 0.000 0.475 963 F N 5.316 125.323 119.950 0.095 0.000 2.612 963 F HA 0.288 4.820 4.527 0.008 0.000 0.332 963 F C -1.499 174.282 175.800 -0.033 0.000 1.167 963 F CA -0.772 57.267 58.000 0.066 0.000 0.970 963 F CB 1.030 40.067 39.000 0.061 0.000 1.234 963 F HN 0.112 nan 8.300 nan 0.000 0.453 964 V N 5.927 125.489 119.914 -0.586 0.000 2.427 964 V HA 0.468 4.591 4.120 0.006 0.000 0.286 964 V C -0.393 175.334 176.094 -0.612 0.000 1.034 964 V CA -0.841 61.127 62.300 -0.554 0.000 0.893 964 V CB 1.598 33.075 31.823 -0.576 0.000 0.982 964 V HN 0.628 nan 8.190 nan 0.000 0.452 965 K N 3.579 123.733 120.400 -0.409 0.000 2.575 965 K HA 0.505 4.828 4.320 0.006 0.000 0.236 965 K C -1.357 175.183 176.600 -0.100 0.000 0.976 965 K CA -0.439 55.697 56.287 -0.253 0.000 0.985 965 K CB 2.040 34.425 32.500 -0.192 0.000 1.198 965 K HN 0.515 nan 8.250 nan 0.000 0.464 966 V N 3.775 123.664 119.914 -0.040 0.000 2.406 966 V HA 0.310 4.433 4.120 0.006 0.000 0.272 966 V C 0.306 176.461 176.094 0.101 0.000 1.043 966 V CA -0.600 61.705 62.300 0.009 0.000 0.915 966 V CB 1.066 32.875 31.823 -0.023 0.000 0.988 966 V HN 0.556 nan 8.190 nan 0.000 0.466 967 R N 3.556 124.103 120.500 0.079 0.000 2.368 967 R HA 0.717 5.060 4.340 0.006 0.000 0.302 967 R C -1.254 175.094 176.300 0.079 0.000 1.002 967 R CA -0.330 55.844 56.100 0.123 0.000 0.929 967 R CB 1.608 32.011 30.300 0.172 0.000 1.073 967 R HN 0.571 nan 8.270 nan 0.000 0.464 968 V N 4.367 124.325 119.914 0.073 0.000 2.680 968 V HA 0.524 4.648 4.120 0.006 0.000 0.309 968 V C -0.405 175.609 176.094 -0.134 0.000 1.052 968 V CA -0.867 61.432 62.300 -0.001 0.000 0.908 968 V CB 1.856 33.724 31.823 0.075 0.000 1.001 968 V HN 0.702 nan 8.190 nan 0.000 0.431 969 R N 2.077 122.469 120.500 -0.181 0.000 2.439 969 R HA 0.689 5.033 4.340 0.006 0.000 0.310 969 R C -1.167 175.080 176.300 -0.089 0.000 0.955 969 R CA -0.211 55.697 56.100 -0.319 0.000 0.853 969 R CB 1.858 31.876 30.300 -0.470 0.000 1.171 969 R HN 0.873 nan 8.270 nan 0.000 0.449 970 T N 1.708 116.282 114.554 0.033 0.000 2.887 970 T HA 0.318 4.672 4.350 0.006 0.000 0.288 970 T C -0.320 174.439 174.700 0.098 0.000 1.021 970 T CA -0.576 61.576 62.100 0.085 0.000 1.000 970 T CB 1.965 70.909 68.868 0.127 0.000 1.034 970 T HN 0.361 nan 8.240 nan 0.000 0.467 971 T N 2.740 117.336 114.554 0.071 0.000 2.845 971 T HA 0.389 4.743 4.350 0.006 0.000 0.288 971 T C -0.091 174.596 174.700 -0.022 0.000 0.980 971 T CA -0.520 61.618 62.100 0.064 0.000 1.071 971 T CB 0.507 69.405 68.868 0.049 0.000 0.941 971 T HN 0.365 nan 8.240 nan 0.000 0.487 972 K N 3.617 123.987 120.400 -0.050 0.000 2.464 972 K HA 0.410 4.734 4.320 0.006 0.000 0.252 972 K C -0.481 176.069 176.600 -0.083 0.000 1.000 972 K CA -0.461 55.776 56.287 -0.083 0.000 0.951 972 K CB 0.712 33.137 32.500 -0.125 0.000 1.183 972 K HN 0.539 nan 8.250 nan 0.000 0.445 973 I N 3.304 123.825 120.570 -0.081 0.000 2.519 973 I HA 0.185 4.358 4.170 0.006 0.000 0.287 973 I C -1.718 174.403 176.117 0.007 0.000 1.047 973 I CA -2.309 58.955 61.300 -0.060 0.000 1.381 973 I CB 0.265 38.227 38.000 -0.063 0.000 1.417 973 I HN 0.354 nan 8.210 nan 0.000 0.540 974 P HA -0.022 nan 4.420 nan 0.000 0.254 974 P C -0.262 177.082 177.300 0.074 0.000 1.467 974 P CA 0.325 63.515 63.100 0.151 0.000 1.281 974 P CB 0.140 31.969 31.700 0.216 0.000 1.754 975 Q N 1.011 120.845 119.800 0.056 0.000 2.700 975 Q HA 0.141 4.485 4.340 0.006 0.000 0.191 975 Q C 1.377 177.395 176.000 0.030 0.000 1.134 975 Q CA -0.295 55.523 55.803 0.025 0.000 1.193 975 Q CB 0.535 29.281 28.738 0.013 0.000 1.250 975 Q HN 0.276 nan 8.270 nan 0.000 0.670 976 I N -0.745 119.830 120.570 0.009 0.000 2.584 976 I HA -0.037 4.137 4.170 0.006 0.000 0.255 976 I C 1.285 177.417 176.117 0.026 0.000 1.145 976 I CA 1.093 62.389 61.300 -0.006 0.000 1.462 976 I CB 0.155 38.143 38.000 -0.019 0.000 1.102 976 I HN 0.661 nan 8.210 nan 0.000 0.433 977 G N -0.056 108.772 108.800 0.047 0.000 3.523 977 G HA2 0.073 4.036 3.960 0.006 0.000 0.270 977 G HA3 0.073 4.036 3.960 0.006 0.000 0.270 977 G C -0.457 174.499 174.900 0.094 0.000 1.134 977 G CA -0.314 44.824 45.100 0.062 0.000 0.825 977 G HN 0.177 nan 8.290 nan 0.000 0.534 978 D N 0.956 121.445 120.400 0.147 0.000 2.350 978 D HA 0.195 4.839 4.640 0.006 0.000 0.249 978 D C 0.338 176.795 176.300 0.261 0.000 1.119 978 D CA 0.099 54.201 54.000 0.170 0.000 0.886 978 D CB 1.727 42.657 40.800 0.216 0.000 1.195 978 D HN 0.072 nan 8.370 nan 0.000 0.437 979 K N 1.519 121.972 120.400 0.088 0.000 2.270 979 K HA 0.337 4.660 4.320 0.006 0.000 0.276 979 K C -1.082 175.485 176.600 -0.055 0.000 1.023 979 K CA -0.081 56.270 56.287 0.105 0.000 0.955 979 K CB 0.388 32.933 32.500 0.075 0.000 0.975 979 K HN 0.213 nan 8.250 nan 0.000 0.471 980 F N 0.923 120.866 119.950 -0.012 0.000 2.613 980 F HA 0.610 5.140 4.527 0.005 0.000 0.310 980 F C -0.432 175.425 175.800 0.096 0.000 1.085 980 F CA -0.643 57.340 58.000 -0.028 0.000 0.945 980 F CB 2.324 41.251 39.000 -0.123 0.000 1.298 980 F HN 0.583 nan 8.300 nan 0.000 0.455 981 A N 0.843 123.839 122.820 0.292 0.000 2.594 981 A HA 0.741 5.065 4.320 0.006 0.000 0.295 981 A C -0.691 176.790 177.584 -0.172 0.000 1.071 981 A CA -0.275 51.856 52.037 0.158 0.000 0.685 981 A CB 1.596 20.649 19.000 0.088 0.000 1.285 981 A HN 0.906 nan 8.150 nan 0.000 0.405 982 S N 0.342 115.727 115.700 -0.525 0.000 2.666 982 S HA 0.459 4.932 4.470 0.006 0.000 0.279 982 S C 0.524 174.950 174.600 -0.290 0.000 1.149 982 S CA -0.332 57.378 58.200 -0.818 0.000 1.020 982 S CB 0.638 63.172 63.200 -1.110 0.000 1.127 982 S HN 0.623 nan 8.310 nan 0.000 0.537 983 R N -0.267 120.078 120.500 -0.260 0.000 2.391 983 R HA 0.207 4.551 4.340 0.006 0.000 0.225 983 R C -0.209 175.697 176.300 -0.657 0.000 1.079 983 R CA 0.350 56.229 56.100 -0.370 0.000 1.147 983 R CB -0.468 29.576 30.300 -0.426 0.000 1.103 983 R HN 0.654 nan 8.270 nan 0.000 0.499 984 H N -2.060 116.973 119.070 -0.061 0.000 2.985 984 H HA 0.228 4.787 4.556 0.006 0.000 0.246 984 H C 0.678 176.034 175.328 0.047 0.000 1.181 984 H CA 0.179 56.236 56.048 0.015 0.000 0.972 984 H CB 1.465 31.262 29.762 0.058 0.000 2.016 984 H HN 0.235 nan 8.280 nan 0.000 0.672 985 G N 1.441 110.305 108.800 0.107 0.000 2.160 985 G HA2 -0.345 3.619 3.960 0.006 0.000 0.244 985 G HA3 -0.345 3.619 3.960 0.006 0.000 0.244 985 G C 0.315 175.264 174.900 0.082 0.000 1.022 985 G CA 0.157 45.319 45.100 0.103 0.000 0.741 985 G HN 0.378 nan 8.290 nan 0.000 0.508 986 Q N 0.710 120.583 119.800 0.121 0.000 3.091 986 Q HA 0.402 4.746 4.340 0.006 0.000 0.301 986 Q C 0.826 176.923 176.000 0.161 0.000 1.337 986 Q CA -0.289 55.611 55.803 0.161 0.000 1.083 986 Q CB -0.086 28.824 28.738 0.287 0.000 1.477 986 Q HN 0.701 nan 8.270 nan 0.000 0.537 987 K N -0.363 120.112 120.400 0.124 0.000 2.205 987 K HA 0.757 5.080 4.320 0.006 0.000 0.279 987 K C -0.156 176.521 176.600 0.130 0.000 1.027 987 K CA -0.618 55.751 56.287 0.136 0.000 0.932 987 K CB 1.212 33.781 32.500 0.115 0.000 1.032 987 K HN 0.302 nan 8.250 nan 0.000 0.466 988 G N 1.448 110.341 108.800 0.155 0.000 2.658 988 G HA2 0.241 4.204 3.960 0.006 0.000 0.301 988 G HA3 0.241 4.204 3.960 0.006 0.000 0.301 988 G C -0.818 174.163 174.900 0.135 0.000 1.481 988 G CA -0.758 44.414 45.100 0.121 0.000 0.931 988 G HN 0.721 nan 8.290 nan 0.000 0.573 989 T N -0.213 114.404 114.554 0.105 0.000 2.874 989 T HA 0.669 5.022 4.350 0.006 0.000 0.281 989 T C 0.964 175.674 174.700 0.018 0.000 0.994 989 T CA -0.668 61.502 62.100 0.116 0.000 1.015 989 T CB 0.772 69.706 68.868 0.110 0.000 1.028 989 T HN 0.535 nan 8.240 nan 0.000 0.523 990 I N 1.584 122.130 120.570 -0.041 0.000 2.815 990 I HA 0.240 4.414 4.170 0.006 0.000 0.291 990 I C 1.556 177.637 176.117 -0.060 0.000 1.209 990 I CA 0.405 61.622 61.300 -0.139 0.000 1.431 990 I CB 0.361 38.245 38.000 -0.194 0.000 1.351 990 I HN 1.010 nan 8.210 nan 0.000 0.585 991 G N 5.706 114.462 108.800 -0.075 0.000 2.727 991 G HA2 0.386 4.349 3.960 0.006 0.000 0.207 991 G HA3 0.386 4.349 3.960 0.006 0.000 0.207 991 G C -0.119 174.747 174.900 -0.057 0.000 1.060 991 G CA 0.285 45.385 45.100 0.000 0.000 0.814 991 G HN 0.462 nan 8.290 nan 0.000 0.576 992 I N 0.124 120.559 120.570 -0.225 0.000 2.951 992 I HA 0.450 4.624 4.170 0.006 0.000 0.304 992 I C -1.549 174.305 176.117 -0.438 0.000 1.550 992 I CA -0.517 60.544 61.300 -0.399 0.000 0.947 992 I CB 1.956 39.506 38.000 -0.751 0.000 1.351 992 I HN 0.032 nan 8.210 nan 0.000 0.548 993 T N 1.366 115.688 114.554 -0.388 0.000 2.847 993 T HA 0.615 4.968 4.350 0.006 0.000 0.291 993 T C -1.155 173.454 174.700 -0.152 0.000 0.998 993 T CA -0.347 61.593 62.100 -0.267 0.000 0.967 993 T CB 0.357 69.143 68.868 -0.137 0.000 0.954 993 T HN 0.399 nan 8.240 nan 0.000 0.441 994 Y N 1.697 121.971 120.300 -0.043 0.000 2.335 994 Y HA 0.475 5.029 4.550 0.006 0.000 0.339 994 Y C 1.269 177.168 175.900 -0.001 0.000 0.987 994 Y CA -1.593 56.505 58.100 -0.003 0.000 1.140 994 Y CB 1.391 39.880 38.460 0.048 0.000 1.173 994 Y HN 0.444 nan 8.280 nan 0.000 0.486 995 R N 1.497 122.100 120.500 0.171 0.000 2.758 995 R HA -0.058 4.285 4.340 0.006 0.000 0.263 995 R C 1.597 177.947 176.300 0.084 0.000 1.010 995 R CA 0.184 56.337 56.100 0.089 0.000 1.114 995 R CB 0.333 30.669 30.300 0.059 0.000 0.985 995 R HN 0.744 nan 8.270 nan 0.000 0.439 996 R N 1.612 122.140 120.500 0.045 0.000 2.228 996 R HA -0.295 4.049 4.340 0.006 0.000 0.259 996 R C 0.804 177.119 176.300 0.025 0.000 1.183 996 R CA 2.402 58.520 56.100 0.030 0.000 1.002 996 R CB 0.090 30.390 30.300 0.000 0.000 0.879 996 R HN 0.652 nan 8.270 nan 0.000 0.467 997 E N -0.006 120.212 120.200 0.030 0.000 2.042 997 E HA -0.094 4.260 4.350 0.006 0.000 0.189 997 E C 1.275 177.938 176.600 0.105 0.000 0.974 997 E CA 1.235 57.653 56.400 0.029 0.000 0.806 997 E CB -0.078 29.631 29.700 0.015 0.000 0.769 997 E HN 0.350 nan 8.360 nan 0.000 0.451 998 D N 0.116 120.594 120.400 0.130 0.000 2.392 998 D HA -0.043 4.601 4.640 0.006 0.000 0.228 998 D C 0.047 176.433 176.300 0.144 0.000 1.003 998 D CA 0.505 54.625 54.000 0.200 0.000 0.917 998 D CB -0.134 40.737 40.800 0.120 0.000 0.890 998 D HN 0.134 nan 8.370 nan 0.000 0.532 999 M N 1.706 121.381 119.600 0.124 0.000 2.264 999 M HA 0.264 4.748 4.480 0.006 0.000 0.352 999 M C -2.447 173.895 176.300 0.070 0.000 1.173 999 M CA -2.326 53.004 55.300 0.049 0.000 1.075 999 M CB 1.686 34.326 32.600 0.067 0.000 1.621 999 M HN -0.310 nan 8.290 nan 0.000 0.457 1000 P HA 0.144 nan 4.420 nan 0.000 0.268 1000 P C -1.425 175.883 177.300 0.013 0.000 1.204 1000 P CA 0.199 63.240 63.100 -0.098 0.000 0.768 1000 P CB -0.130 31.349 31.700 -0.367 0.000 0.842 1001 F N -0.222 119.691 119.950 -0.062 0.000 2.679 1001 F HA 0.828 5.359 4.527 0.006 0.000 0.341 1001 F C -0.050 175.723 175.800 -0.045 0.000 1.095 1001 F CA -1.128 56.836 58.000 -0.059 0.000 1.004 1001 F CB 0.961 39.968 39.000 0.012 0.000 1.388 1001 F HN 0.212 nan 8.300 nan 0.000 0.505 1002 T N -0.784 113.836 114.554 0.109 0.000 2.919 1002 T HA 0.568 4.922 4.350 0.006 0.000 0.282 1002 T C 1.006 175.876 174.700 0.283 0.000 1.020 1002 T CA -0.094 62.012 62.100 0.010 0.000 0.994 1002 T CB 1.394 70.205 68.868 -0.095 0.000 1.180 1002 T HN 0.916 nan 8.240 nan 0.000 0.566 1003 A N 0.469 123.431 122.820 0.237 0.000 2.178 1003 A HA -0.007 4.317 4.320 0.006 0.000 0.218 1003 A C 1.513 179.217 177.584 0.200 0.000 1.157 1003 A CA 1.801 54.018 52.037 0.300 0.000 0.689 1003 A CB -0.559 18.543 19.000 0.171 0.000 0.787 1003 A HN 0.883 nan 8.150 nan 0.000 0.465 1004 E N -2.483 117.829 120.200 0.186 0.000 2.465 1004 E HA 0.384 4.738 4.350 0.006 0.000 0.209 1004 E C 0.918 177.611 176.600 0.154 0.000 0.951 1004 E CA 0.354 56.840 56.400 0.145 0.000 0.997 1004 E CB 0.353 30.137 29.700 0.139 0.000 1.025 1004 E HN 0.654 nan 8.360 nan 0.000 0.500 1005 G N 1.633 110.571 108.800 0.230 0.000 2.145 1005 G HA2 -0.154 3.810 3.960 0.006 0.000 0.176 1005 G HA3 -0.154 3.810 3.960 0.006 0.000 0.176 1005 G C -0.202 174.804 174.900 0.176 0.000 1.013 1005 G CA -0.567 44.667 45.100 0.223 0.000 0.689 1005 G HN 0.072 nan 8.290 nan 0.000 0.506 1006 I N 1.356 122.046 120.570 0.200 0.000 2.452 1006 I HA 0.290 4.464 4.170 0.006 0.000 0.287 1006 I C 1.004 177.262 176.117 0.235 0.000 1.079 1006 I CA -0.713 60.719 61.300 0.220 0.000 1.387 1006 I CB 0.935 39.136 38.000 0.335 0.000 1.404 1006 I HN -0.082 nan 8.210 nan 0.000 0.522 1007 V N 9.321 129.361 119.914 0.209 0.000 2.509 1007 V HA 0.307 4.430 4.120 0.006 0.000 0.284 1007 V C -1.943 174.313 176.094 0.270 0.000 1.047 1007 V CA -1.445 60.970 62.300 0.193 0.000 0.952 1007 V CB 1.390 33.274 31.823 0.100 0.000 0.988 1007 V HN 0.627 nan 8.190 nan 0.000 0.469 1008 P HA 0.255 nan 4.420 nan 0.000 0.280 1008 P C -0.131 177.198 177.300 0.048 0.000 1.244 1008 P CA -0.298 62.946 63.100 0.241 0.000 0.784 1008 P CB 1.187 33.102 31.700 0.358 0.000 0.913 1009 D N 1.261 121.640 120.400 -0.036 0.000 2.178 1009 D HA -0.027 4.617 4.640 0.006 0.000 0.202 1009 D C 0.361 176.596 176.300 -0.108 0.000 0.974 1009 D CA 1.513 55.472 54.000 -0.068 0.000 0.841 1009 D CB 0.171 40.919 40.800 -0.087 0.000 0.953 1009 D HN 0.171 nan 8.370 nan 0.000 0.478 1010 L N 0.552 121.695 121.223 -0.133 0.000 2.470 1010 L HA 0.345 4.689 4.340 0.006 0.000 0.268 1010 L C -1.545 175.241 176.870 -0.139 0.000 0.964 1010 L CA -0.669 54.049 54.840 -0.202 0.000 0.839 1010 L CB 2.063 43.930 42.059 -0.320 0.000 1.276 1010 L HN -0.265 nan 8.230 nan 0.000 0.403 1011 I N 5.872 126.365 120.570 -0.129 0.000 2.448 1011 I HA 0.479 4.653 4.170 0.006 0.000 0.281 1011 I C -0.388 175.705 176.117 -0.040 0.000 1.027 1011 I CA -0.289 60.975 61.300 -0.059 0.000 1.111 1011 I CB 1.254 39.223 38.000 -0.052 0.000 1.236 1011 I HN 0.355 nan 8.210 nan 0.000 0.452 1012 I N 2.196 122.767 120.570 0.003 0.000 2.607 1012 I HA 0.558 4.731 4.170 0.006 0.000 0.305 1012 I C 0.396 176.550 176.117 0.061 0.000 0.995 1012 I CA -0.713 60.609 61.300 0.038 0.000 1.148 1012 I CB 0.653 38.698 38.000 0.076 0.000 1.323 1012 I HN 0.329 nan 8.210 nan 0.000 0.461 1013 N N 4.809 123.548 118.700 0.066 0.000 2.454 1013 N HA 0.109 4.853 4.740 0.006 0.000 0.260 1013 N C -1.731 173.846 175.510 0.112 0.000 1.218 1013 N CA -1.210 51.892 53.050 0.087 0.000 0.904 1013 N CB 0.936 39.460 38.487 0.062 0.000 1.065 1013 N HN 0.489 nan 8.380 nan 0.000 0.462 1014 P HA -0.033 nan 4.420 nan 0.000 0.258 1014 P C 0.408 177.777 177.300 0.115 0.000 1.319 1014 P CA 0.908 64.074 63.100 0.109 0.000 0.785 1014 P CB -0.037 31.729 31.700 0.110 0.000 1.252 1015 H N -0.247 118.825 119.070 0.002 0.000 2.486 1015 H HA 0.253 4.813 4.556 0.006 0.000 0.287 1015 H C 0.957 176.280 175.328 -0.009 0.000 1.010 1015 H CA 0.228 56.275 56.048 -0.001 0.000 1.324 1015 H CB 0.517 30.284 29.762 0.007 0.000 1.446 1015 H HN 0.100 nan 8.280 nan 0.000 0.537 1016 A N 1.437 124.321 122.820 0.107 0.000 3.117 1016 A HA 0.173 4.497 4.320 0.006 0.000 0.255 1016 A C 0.982 178.565 177.584 -0.003 0.000 1.583 1016 A CA 0.130 52.193 52.037 0.044 0.000 1.234 1016 A CB -0.593 18.438 19.000 0.053 0.000 1.076 1016 A HN 0.246 nan 8.150 nan 0.000 0.653 1017 I N -0.327 120.226 120.570 -0.029 0.000 3.878 1017 I HA 0.106 4.280 4.170 0.006 0.000 0.273 1017 I C -1.137 174.940 176.117 -0.067 0.000 1.165 1017 I CA 0.319 61.578 61.300 -0.068 0.000 1.360 1017 I CB -0.626 37.319 38.000 -0.092 0.000 1.539 1017 I HN 0.192 nan 8.210 nan 0.000 0.447 1018 P HA 0.159 nan 4.420 nan 0.000 0.234 1018 P C 1.622 178.894 177.300 -0.047 0.000 1.175 1018 P CA 0.786 63.849 63.100 -0.063 0.000 0.801 1018 P CB 0.192 31.845 31.700 -0.078 0.000 0.891 1019 S N 0.549 116.223 115.700 -0.043 0.000 2.369 1019 S HA -0.228 4.245 4.470 0.006 0.000 0.225 1019 S C 1.535 176.117 174.600 -0.031 0.000 1.043 1019 S CA 2.138 60.318 58.200 -0.033 0.000 1.074 1019 S CB -0.544 62.642 63.200 -0.023 0.000 0.962 1019 S HN 0.112 nan 8.310 nan 0.000 0.433 1020 R N -1.768 118.711 120.500 -0.035 0.000 2.168 1020 R HA -0.043 4.301 4.340 0.006 0.000 0.351 1020 R C -0.380 175.903 176.300 -0.027 0.000 0.252 1020 R CA 0.730 56.807 56.100 -0.039 0.000 1.429 1020 R CB -1.957 28.323 30.300 -0.032 0.000 1.764 1020 R HN 0.327 nan 8.270 nan 0.000 0.211 1021 M N 1.083 120.670 119.600 -0.021 0.000 2.186 1021 M HA -0.154 4.330 4.480 0.006 0.000 0.488 1021 M C -0.106 176.199 176.300 0.009 0.000 1.332 1021 M CA 2.270 57.563 55.300 -0.011 0.000 0.684 1021 M CB 0.083 32.682 32.600 -0.002 0.000 1.962 1021 M HN 0.284 nan 8.290 nan 0.000 0.552 1022 T N 3.270 117.826 114.554 0.004 0.000 3.824 1022 T HA 0.330 4.684 4.350 0.006 0.000 0.232 1022 T C 0.411 175.099 174.700 -0.019 0.000 0.927 1022 T CA -0.683 61.434 62.100 0.027 0.000 1.620 1022 T CB -0.022 68.883 68.868 0.063 0.000 0.762 1022 T HN 0.382 nan 8.240 nan 0.000 0.619 1023 V N 1.670 121.580 119.914 -0.007 0.000 2.913 1023 V HA 0.035 4.158 4.120 0.006 0.000 0.260 1023 V C 2.890 178.937 176.094 -0.078 0.000 1.098 1023 V CA 1.902 64.177 62.300 -0.041 0.000 1.121 1023 V CB -0.976 30.846 31.823 -0.003 0.000 0.714 1023 V HN 0.821 nan 8.190 nan 0.000 0.487 1024 A N -0.031 122.753 122.820 -0.060 0.000 1.858 1024 A HA -0.282 4.042 4.320 0.006 0.000 0.216 1024 A C 2.237 179.621 177.584 -0.332 0.000 1.190 1024 A CA 1.885 53.856 52.037 -0.110 0.000 0.617 1024 A CB -0.937 18.148 19.000 0.143 0.000 0.827 1024 A HN 0.607 nan 8.150 nan 0.000 0.443 1025 H N 0.475 119.015 119.070 -0.884 0.000 2.368 1025 H HA -0.196 4.363 4.556 0.006 0.000 0.292 1025 H C 1.825 177.055 175.328 -0.163 0.000 1.117 1025 H CA 2.285 57.955 56.048 -0.630 0.000 1.231 1025 H CB -0.554 29.016 29.762 -0.319 0.000 1.359 1025 H HN 0.409 nan 8.280 nan 0.000 0.490 1026 L N -0.291 120.976 121.223 0.072 0.000 1.970 1026 L HA -0.214 4.130 4.340 0.006 0.000 0.212 1026 L C 2.994 179.921 176.870 0.095 0.000 1.071 1026 L CA 1.747 56.623 54.840 0.060 0.000 0.751 1026 L CB -0.460 41.497 42.059 -0.170 0.000 0.889 1026 L HN 0.197 nan 8.230 nan 0.000 0.432 1027 I N -0.734 119.802 120.570 -0.056 0.000 2.286 1027 I HA -0.272 3.902 4.170 0.006 0.000 0.248 1027 I C 2.610 178.777 176.117 0.083 0.000 1.115 1027 I CA 1.129 62.359 61.300 -0.117 0.000 1.392 1027 I CB -0.452 37.230 38.000 -0.530 0.000 1.065 1027 I HN 0.343 nan 8.210 nan 0.000 0.418 1028 E N 0.538 120.855 120.200 0.194 0.000 2.065 1028 E HA -0.348 4.005 4.350 0.006 0.000 0.201 1028 E C 2.325 179.017 176.600 0.153 0.000 1.016 1028 E CA 2.147 58.691 56.400 0.242 0.000 0.818 1028 E CB -0.198 29.632 29.700 0.216 0.000 0.749 1028 E HN 0.593 nan 8.360 nan 0.000 0.453 1029 C N 0.266 119.661 119.300 0.158 0.000 2.419 1029 C HA -0.086 4.378 4.460 0.006 0.000 0.281 1029 C C 2.620 177.639 174.990 0.048 0.000 1.336 1029 C CA 0.648 59.725 59.018 0.098 0.000 1.770 1029 C CB -1.044 26.798 27.740 0.170 0.000 1.929 1029 C HN 0.506 nan 8.230 nan 0.000 0.509 1030 L N -0.116 121.192 121.223 0.142 0.000 2.162 1030 L HA 0.145 4.489 4.340 0.006 0.000 0.205 1030 L C 2.066 178.971 176.870 0.059 0.000 1.086 1030 L CA 1.455 56.361 54.840 0.110 0.000 0.778 1030 L CB -0.686 41.455 42.059 0.136 0.000 0.928 1030 L HN 0.306 nan 8.230 nan 0.000 0.446 1031 L N -1.210 120.065 121.223 0.087 0.000 2.023 1031 L HA -0.066 4.278 4.340 0.006 0.000 0.205 1031 L C 2.452 179.346 176.870 0.039 0.000 1.073 1031 L CA 1.857 56.751 54.840 0.090 0.000 0.745 1031 L CB -0.869 41.297 42.059 0.178 0.000 0.900 1031 L HN 0.207 nan 8.230 nan 0.000 0.435 1032 S N -0.314 115.406 115.700 0.034 0.000 2.407 1032 S HA -0.274 4.200 4.470 0.006 0.000 0.235 1032 S C 1.914 176.482 174.600 -0.053 0.000 1.036 1032 S CA 1.614 59.812 58.200 -0.003 0.000 1.013 1032 S CB -0.363 62.846 63.200 0.015 0.000 0.820 1032 S HN 0.406 nan 8.310 nan 0.000 0.476 1033 K N 0.865 121.213 120.400 -0.087 0.000 1.969 1033 K HA -0.100 4.223 4.320 0.006 0.000 0.216 1033 K C 2.027 178.541 176.600 -0.143 0.000 1.048 1033 K CA 1.620 57.813 56.287 -0.157 0.000 0.948 1033 K CB -0.507 31.869 32.500 -0.207 0.000 0.726 1033 K HN 0.126 nan 8.250 nan 0.000 0.442 1034 V N 1.421 121.281 119.914 -0.091 0.000 2.277 1034 V HA -0.362 3.761 4.120 0.006 0.000 0.253 1034 V C 2.382 178.430 176.094 -0.077 0.000 1.067 1034 V CA 2.246 64.506 62.300 -0.067 0.000 1.047 1034 V CB -0.915 30.933 31.823 0.043 0.000 0.649 1034 V HN 0.570 nan 8.190 nan 0.000 0.447 1035 A N -0.316 122.481 122.820 -0.038 0.000 1.948 1035 A HA -0.171 4.152 4.320 0.006 0.000 0.220 1035 A C 2.323 179.876 177.584 -0.052 0.000 1.177 1035 A CA 2.316 54.336 52.037 -0.029 0.000 0.636 1035 A CB -0.735 18.254 19.000 -0.019 0.000 0.815 1035 A HN 0.683 nan 8.150 nan 0.000 0.449 1036 A N -1.352 121.421 122.820 -0.078 0.000 2.119 1036 A HA 0.283 4.607 4.320 0.006 0.000 0.216 1036 A C 2.024 179.549 177.584 -0.099 0.000 1.152 1036 A CA 1.088 53.078 52.037 -0.079 0.000 0.708 1036 A CB -0.297 18.651 19.000 -0.087 0.000 0.805 1036 A HN 0.462 nan 8.150 nan 0.000 0.460 1037 L N -0.697 120.422 121.223 -0.173 0.000 2.262 1037 L HA -0.032 4.311 4.340 0.006 0.000 0.197 1037 L C 2.862 179.616 176.870 -0.194 0.000 1.073 1037 L CA 1.165 55.847 54.840 -0.264 0.000 0.800 1037 L CB -0.278 41.428 42.059 -0.588 0.000 0.987 1037 L HN 0.461 nan 8.230 nan 0.000 0.470 1038 S N -0.607 115.005 115.700 -0.147 0.000 2.447 1038 S HA 0.017 4.491 4.470 0.006 0.000 0.233 1038 S C 1.693 176.332 174.600 0.066 0.000 1.006 1038 S CA 0.848 59.117 58.200 0.115 0.000 0.957 1038 S CB 0.076 63.397 63.200 0.201 0.000 0.773 1038 S HN 0.595 nan 8.310 nan 0.000 0.507 1039 G N 1.574 110.382 108.800 0.014 0.000 2.383 1039 G HA2 -0.260 3.703 3.960 0.006 0.000 0.229 1039 G HA3 -0.260 3.703 3.960 0.006 0.000 0.229 1039 G C -0.111 174.793 174.900 0.006 0.000 1.089 1039 G CA -0.045 45.061 45.100 0.011 0.000 0.640 1039 G HN 0.553 nan 8.290 nan 0.000 0.510 1040 N N 2.194 120.905 118.700 0.018 0.000 2.452 1040 N HA 0.332 5.076 4.740 0.006 0.000 0.266 1040 N C 0.284 175.792 175.510 -0.003 0.000 1.209 1040 N CA 0.223 53.280 53.050 0.012 0.000 0.929 1040 N CB 0.949 39.453 38.487 0.029 0.000 1.063 1040 N HN 0.700 nan 8.380 nan 0.000 0.472 1041 E N 1.128 121.318 120.200 -0.017 0.000 2.493 1041 E HA 0.068 4.421 4.350 0.006 0.000 0.255 1041 E C 0.296 176.875 176.600 -0.035 0.000 0.999 1041 E CA -0.269 56.111 56.400 -0.034 0.000 0.934 1041 E CB 0.377 30.048 29.700 -0.049 0.000 0.940 1041 E HN 0.586 nan 8.360 nan 0.000 0.473 1042 G N 3.658 112.437 108.800 -0.035 0.000 2.503 1042 G HA2 0.027 3.991 3.960 0.006 0.000 0.257 1042 G HA3 0.027 3.991 3.960 0.006 0.000 0.257 1042 G C -0.575 174.282 174.900 -0.071 0.000 1.214 1042 G CA -0.507 44.577 45.100 -0.027 0.000 0.839 1042 G HN 0.632 nan 8.290 nan 0.000 0.559 1043 D N 0.789 121.157 120.400 -0.054 0.000 2.500 1043 D HA 0.427 5.070 4.640 0.006 0.000 0.219 1043 D C 1.004 177.200 176.300 -0.173 0.000 1.137 1043 D CA -0.294 53.642 54.000 -0.106 0.000 0.946 1043 D CB 0.506 41.271 40.800 -0.059 0.000 1.022 1043 D HN 0.363 nan 8.370 nan 0.000 0.518 1044 A N 2.614 125.220 122.820 -0.357 0.000 2.346 1044 A HA 0.178 4.502 4.320 0.006 0.000 0.242 1044 A C 0.732 177.847 177.584 -0.782 0.000 1.323 1044 A CA -0.349 51.176 52.037 -0.854 0.000 0.940 1044 A CB -0.259 18.288 19.000 -0.755 0.000 0.943 1044 A HN 0.392 nan 8.150 nan 0.000 0.501 1045 S N 1.568 117.043 115.700 -0.374 0.000 2.549 1045 S HA 0.231 4.705 4.470 0.006 0.000 0.279 1045 S C -1.469 173.063 174.600 -0.114 0.000 1.321 1045 S CA -0.807 57.278 58.200 -0.192 0.000 1.054 1045 S CB 0.932 64.094 63.200 -0.063 0.000 0.899 1045 S HN 0.299 nan 8.310 nan 0.000 0.497 1046 P HA -0.071 nan 4.420 nan 0.000 0.208 1046 P C 0.011 177.129 177.300 -0.303 0.000 1.195 1046 P CA 1.235 64.091 63.100 -0.407 0.000 0.927 1046 P CB 0.049 31.230 31.700 -0.865 0.000 0.778 1047 F N -0.007 120.095 119.950 0.254 0.000 2.508 1047 F HA 0.306 4.837 4.527 0.006 0.000 0.329 1047 F C 0.760 176.692 175.800 0.220 0.000 1.198 1047 F CA -0.523 57.589 58.000 0.188 0.000 1.268 1047 F CB -0.736 38.308 39.000 0.073 0.000 1.584 1047 F HN -0.084 nan 8.300 nan 0.000 0.570 1048 T N -4.142 110.616 114.554 0.341 0.000 2.887 1048 T HA 0.305 4.659 4.350 0.006 0.000 0.292 1048 T C -0.349 174.504 174.700 0.255 0.000 1.087 1048 T CA -0.990 61.292 62.100 0.304 0.000 1.009 1048 T CB 1.968 71.004 68.868 0.280 0.000 1.203 1048 T HN -0.080 nan 8.240 nan 0.000 0.518 1049 D N 1.023 121.550 120.400 0.211 0.000 2.801 1049 D HA 0.375 5.019 4.640 0.006 0.000 0.232 1049 D C -0.633 175.764 176.300 0.161 0.000 1.128 1049 D CA 0.141 54.242 54.000 0.169 0.000 1.003 1049 D CB -0.719 40.163 40.800 0.137 0.000 1.110 1049 D HN 0.441 nan 8.370 nan 0.000 0.477 1050 I N 0.574 121.260 120.570 0.194 0.000 2.418 1050 I HA 0.193 4.367 4.170 0.006 0.000 0.287 1050 I C 0.047 176.231 176.117 0.112 0.000 1.008 1050 I CA -0.364 61.039 61.300 0.171 0.000 1.104 1050 I CB 2.007 40.156 38.000 0.249 0.000 1.264 1050 I HN -0.164 nan 8.210 nan 0.000 0.438 1051 T N 4.438 119.029 114.554 0.062 0.000 2.912 1051 T HA 0.259 4.613 4.350 0.006 0.000 0.288 1051 T C 1.200 175.885 174.700 -0.025 0.000 1.030 1051 T CA -0.707 61.410 62.100 0.028 0.000 1.020 1051 T CB 2.345 71.243 68.868 0.050 0.000 1.056 1051 T HN 0.221 nan 8.240 nan 0.000 0.480 1052 V N 1.143 121.026 119.914 -0.051 0.000 2.407 1052 V HA -0.133 3.990 4.120 0.006 0.000 0.248 1052 V C 2.318 178.412 176.094 -0.000 0.000 1.055 1052 V CA 1.659 63.926 62.300 -0.056 0.000 1.049 1052 V CB -0.634 31.154 31.823 -0.058 0.000 0.662 1052 V HN 0.903 nan 8.190 nan 0.000 0.455 1053 E N 0.058 120.267 120.200 0.016 0.000 2.511 1053 E HA -0.024 4.329 4.350 0.006 0.000 0.196 1053 E C 2.108 178.731 176.600 0.039 0.000 1.066 1053 E CA 0.667 57.085 56.400 0.031 0.000 0.871 1053 E CB 0.029 29.748 29.700 0.032 0.000 0.863 1053 E HN 0.682 nan 8.360 nan 0.000 0.520 1054 G N 0.653 109.476 108.800 0.039 0.000 2.608 1054 G HA2 -0.075 3.889 3.960 0.006 0.000 0.210 1054 G HA3 -0.075 3.889 3.960 0.006 0.000 0.210 1054 G C 1.461 176.396 174.900 0.057 0.000 1.139 1054 G CA -0.149 44.982 45.100 0.050 0.000 0.812 1054 G HN 0.055 nan 8.290 nan 0.000 0.529 1055 I N 1.540 122.139 120.570 0.049 0.000 2.333 1055 I HA -0.013 4.161 4.170 0.006 0.000 0.246 1055 I C 2.707 178.869 176.117 0.076 0.000 1.106 1055 I CA 0.847 62.185 61.300 0.063 0.000 1.411 1055 I CB -1.170 36.857 38.000 0.046 0.000 1.082 1055 I HN 0.048 nan 8.210 nan 0.000 0.420 1056 S N 0.742 116.483 115.700 0.068 0.000 2.400 1056 S HA -0.146 4.328 4.470 0.006 0.000 0.232 1056 S C 1.931 176.582 174.600 0.085 0.000 1.025 1056 S CA 1.152 59.402 58.200 0.084 0.000 0.993 1056 S CB -0.114 63.130 63.200 0.074 0.000 0.808 1056 S HN 0.395 nan 8.310 nan 0.000 0.478 1057 K N 0.425 120.867 120.400 0.070 0.000 2.283 1057 K HA 0.048 4.372 4.320 0.006 0.000 0.202 1057 K C 1.749 178.391 176.600 0.070 0.000 1.048 1057 K CA 0.712 57.037 56.287 0.063 0.000 0.948 1057 K CB -0.136 32.394 32.500 0.050 0.000 0.742 1057 K HN 0.355 nan 8.250 nan 0.000 0.458 1058 L N -0.099 121.177 121.223 0.089 0.000 2.145 1058 L HA -0.069 4.275 4.340 0.006 0.000 0.201 1058 L C 2.139 179.115 176.870 0.178 0.000 1.075 1058 L CA 0.216 55.124 54.840 0.113 0.000 0.773 1058 L CB -0.234 41.899 42.059 0.123 0.000 0.936 1058 L HN 0.047 nan 8.230 nan 0.000 0.451 1059 L N 0.161 121.491 121.223 0.180 0.000 2.450 1059 L HA -0.154 4.190 4.340 0.006 0.000 0.224 1059 L C 2.456 179.469 176.870 0.238 0.000 1.149 1059 L CA 1.283 56.257 54.840 0.222 0.000 0.816 1059 L CB -0.377 41.776 42.059 0.157 0.000 0.932 1059 L HN 0.111 nan 8.230 nan 0.000 0.449 1060 R N -0.184 120.416 120.500 0.166 0.000 2.173 1060 R HA -0.012 4.332 4.340 0.006 0.000 0.208 1060 R C 1.831 178.190 176.300 0.098 0.000 1.035 1060 R CA 1.083 57.263 56.100 0.133 0.000 1.004 1060 R CB -0.197 30.161 30.300 0.096 0.000 0.917 1060 R HN 0.455 nan 8.270 nan 0.000 0.462 1061 E N -0.701 119.539 120.200 0.065 0.000 2.403 1061 E HA -0.036 4.318 4.350 0.006 0.000 0.187 1061 E C -0.138 176.418 176.600 -0.073 0.000 1.073 1061 E CA 0.007 56.398 56.400 -0.015 0.000 0.888 1061 E CB 0.128 29.792 29.700 -0.060 0.000 1.035 1061 E HN 0.358 nan 8.360 nan 0.000 0.471 1062 H N -1.116 118.020 119.070 0.110 0.000 2.475 1062 H HA 0.192 4.752 4.556 0.006 0.000 0.276 1062 H C 0.843 176.253 175.328 0.135 0.000 1.126 1062 H CA 0.526 56.664 56.048 0.149 0.000 1.023 1062 H CB 0.976 30.865 29.762 0.211 0.000 1.669 1062 H HN 0.340 nan 8.280 nan 0.000 0.573 1063 G N 0.808 109.678 108.800 0.117 0.000 2.168 1063 G HA2 -0.310 3.654 3.960 0.006 0.000 0.257 1063 G HA3 -0.310 3.654 3.960 0.006 0.000 0.257 1063 G C -0.397 174.325 174.900 -0.296 0.000 0.997 1063 G CA 0.663 45.710 45.100 -0.088 0.000 0.708 1063 G HN 0.376 nan 8.290 nan 0.000 0.520 1064 Y N -1.134 119.233 120.300 0.111 0.000 2.662 1064 Y HA 0.643 5.197 4.550 0.006 0.000 0.335 1064 Y C 0.387 176.352 175.900 0.109 0.000 1.066 1064 Y CA -0.829 57.334 58.100 0.105 0.000 1.116 1064 Y CB 0.923 39.447 38.460 0.107 0.000 1.308 1064 Y HN 0.283 nan 8.280 nan 0.000 0.502 1065 Q N -0.460 119.521 119.800 0.302 0.000 2.260 1065 Q HA 0.330 4.674 4.340 0.006 0.000 0.242 1065 Q C 0.655 176.798 176.000 0.238 0.000 0.932 1065 Q CA -0.007 55.929 55.803 0.222 0.000 0.891 1065 Q CB 1.606 30.460 28.738 0.194 0.000 1.222 1065 Q HN 0.686 nan 8.270 nan 0.000 0.453 1066 S N 2.162 117.975 115.700 0.189 0.000 2.419 1066 S HA -0.114 4.360 4.470 0.006 0.000 0.235 1066 S C 0.800 175.516 174.600 0.193 0.000 1.019 1066 S CA 0.814 59.116 58.200 0.169 0.000 0.982 1066 S CB -0.159 63.114 63.200 0.121 0.000 0.789 1066 S HN 0.666 nan 8.310 nan 0.000 0.490 1067 R N 0.770 121.436 120.500 0.276 0.000 2.696 1067 R HA 0.391 4.734 4.340 0.006 0.000 0.355 1067 R C 1.414 177.942 176.300 0.380 0.000 1.138 1067 R CA 0.334 56.616 56.100 0.303 0.000 1.059 1067 R CB -0.319 30.190 30.300 0.348 0.000 1.380 1067 R HN 0.565 nan 8.270 nan 0.000 0.578 1068 G N 0.858 109.862 108.800 0.340 0.000 2.284 1068 G HA2 -0.325 3.639 3.960 0.006 0.000 0.247 1068 G HA3 -0.325 3.639 3.960 0.006 0.000 0.247 1068 G C 0.272 175.277 174.900 0.176 0.000 1.012 1068 G CA -0.142 45.105 45.100 0.244 0.000 0.618 1068 G HN 0.293 nan 8.290 nan 0.000 0.521 1069 F N 1.489 121.623 119.950 0.307 0.000 2.628 1069 F HA 0.492 5.022 4.527 0.006 0.000 0.346 1069 F C 1.138 177.025 175.800 0.145 0.000 1.188 1069 F CA 0.979 59.112 58.000 0.223 0.000 1.376 1069 F CB 0.360 39.457 39.000 0.161 0.000 1.104 1069 F HN 0.209 nan 8.300 nan 0.000 0.616 1070 E N -0.329 120.039 120.200 0.280 0.000 2.352 1070 E HA 0.376 4.729 4.350 0.006 0.000 0.280 1070 E C -1.585 175.018 176.600 0.004 0.000 0.930 1070 E CA -0.845 55.636 56.400 0.134 0.000 0.765 1070 E CB 2.464 32.215 29.700 0.085 0.000 1.219 1070 E HN 0.211 nan 8.360 nan 0.000 0.434 1071 V N 3.873 123.747 119.914 -0.068 0.000 2.508 1071 V HA 0.251 4.375 4.120 0.006 0.000 0.281 1071 V C 0.250 176.083 176.094 -0.435 0.000 1.041 1071 V CA 0.384 62.551 62.300 -0.222 0.000 1.016 1071 V CB 0.362 32.052 31.823 -0.221 0.000 0.984 1071 V HN 0.594 nan 8.190 nan 0.000 0.478 1072 M N 4.625 123.901 119.600 -0.539 0.000 2.591 1072 M HA 0.540 5.024 4.480 0.006 0.000 0.306 1072 M C -1.575 174.248 176.300 -0.796 0.000 1.190 1072 M CA -0.552 54.366 55.300 -0.637 0.000 0.889 1072 M CB 2.706 35.065 32.600 -0.402 0.000 1.728 1072 M HN 0.542 nan 8.290 nan 0.000 0.458 1073 Y N 0.582 120.536 120.300 -0.576 0.000 2.364 1073 Y HA 0.301 4.854 4.550 0.006 0.000 0.340 1073 Y C 0.407 176.065 175.900 -0.402 0.000 0.975 1073 Y CA -1.009 56.747 58.100 -0.573 0.000 1.089 1073 Y CB 0.848 38.740 38.460 -0.947 0.000 1.192 1073 Y HN 0.566 nan 8.280 nan 0.000 0.454 1074 N N 1.807 120.507 118.700 0.001 0.000 2.452 1074 N HA -0.002 4.741 4.740 0.006 0.000 0.266 1074 N C 1.101 176.721 175.510 0.183 0.000 1.209 1074 N CA 0.650 53.763 53.050 0.105 0.000 0.929 1074 N CB 1.550 40.073 38.487 0.059 0.000 1.063 1074 N HN 1.000 nan 8.380 nan 0.000 0.472 1075 G N 3.052 111.998 108.800 0.243 0.000 2.450 1075 G HA2 -0.258 3.705 3.960 0.006 0.000 0.220 1075 G HA3 -0.258 3.705 3.960 0.006 0.000 0.220 1075 G C 1.034 176.102 174.900 0.280 0.000 1.130 1075 G CA 0.731 46.021 45.100 0.317 0.000 0.760 1075 G HN 0.724 nan 8.290 nan 0.000 0.557 1076 H N -0.626 118.523 119.070 0.132 0.000 2.423 1076 H HA 0.025 4.584 4.556 0.006 0.000 0.297 1076 H C 2.356 177.715 175.328 0.050 0.000 1.075 1076 H CA 1.541 57.615 56.048 0.044 0.000 1.342 1076 H CB -0.180 29.568 29.762 -0.024 0.000 1.395 1076 H HN 0.420 nan 8.280 nan 0.000 0.530 1077 T N -2.098 112.573 114.554 0.196 0.000 3.041 1077 T HA 0.270 4.623 4.350 0.006 0.000 0.276 1077 T C 1.485 176.263 174.700 0.130 0.000 0.948 1077 T CA 0.827 63.005 62.100 0.130 0.000 0.885 1077 T CB -0.215 68.709 68.868 0.094 0.000 1.175 1077 T HN 0.529 nan 8.240 nan 0.000 0.529 1078 G N 2.283 111.194 108.800 0.186 0.000 2.200 1078 G HA2 -0.303 3.660 3.960 0.006 0.000 0.267 1078 G HA3 -0.303 3.660 3.960 0.006 0.000 0.267 1078 G C 0.076 175.070 174.900 0.156 0.000 0.993 1078 G CA 1.024 46.244 45.100 0.200 0.000 0.701 1078 G HN 0.702 nan 8.290 nan 0.000 0.524 1079 K N 0.767 121.244 120.400 0.130 0.000 2.276 1079 K HA 0.366 4.690 4.320 0.006 0.000 0.283 1079 K C 0.832 177.498 176.600 0.110 0.000 1.044 1079 K CA -0.698 55.654 56.287 0.109 0.000 0.944 1079 K CB 0.349 32.887 32.500 0.063 0.000 1.012 1079 K HN 0.186 nan 8.250 nan 0.000 0.472 1080 K N 3.329 123.798 120.400 0.115 0.000 2.550 1080 K HA -0.051 4.272 4.320 0.006 0.000 0.280 1080 K C -0.085 176.462 176.600 -0.088 0.000 0.987 1080 K CA 0.229 56.481 56.287 -0.058 0.000 1.048 1080 K CB 0.310 32.764 32.500 -0.077 0.000 0.879 1080 K HN 0.501 nan 8.250 nan 0.000 0.491 1081 L N 4.580 125.706 121.223 -0.161 0.000 2.360 1081 L HA 0.008 4.351 4.340 0.006 0.000 0.276 1081 L C 1.704 178.524 176.870 -0.083 0.000 1.121 1081 L CA -0.250 54.535 54.840 -0.091 0.000 0.845 1081 L CB 0.716 42.729 42.059 -0.077 0.000 1.143 1081 L HN 0.697 nan 8.230 nan 0.000 0.452 1082 M N 2.428 122.002 119.600 -0.043 0.000 2.358 1082 M HA -0.024 4.460 4.480 0.006 0.000 0.264 1082 M C 0.683 176.965 176.300 -0.030 0.000 1.064 1082 M CA 0.790 56.069 55.300 -0.035 0.000 1.093 1082 M CB -0.382 32.207 32.600 -0.019 0.000 1.401 1082 M HN 0.664 nan 8.290 nan 0.000 0.440 1083 A N 0.527 123.339 122.820 -0.015 0.000 2.330 1083 A HA 0.536 4.859 4.320 0.006 0.000 0.327 1083 A C -0.384 177.213 177.584 0.022 0.000 1.155 1083 A CA -0.672 51.370 52.037 0.007 0.000 0.803 1083 A CB 0.705 19.729 19.000 0.040 0.000 1.208 1083 A HN 0.315 nan 8.150 nan 0.000 0.477 1084 Q N 0.436 120.260 119.800 0.040 0.000 2.392 1084 Q HA 0.447 4.791 4.340 0.006 0.000 0.262 1084 Q C -0.657 175.516 176.000 0.288 0.000 1.003 1084 Q CA 0.601 56.476 55.803 0.121 0.000 0.888 1084 Q CB 0.531 29.341 28.738 0.119 0.000 1.260 1084 Q HN 0.621 nan 8.270 nan 0.000 0.435 1085 I N 1.060 121.773 120.570 0.239 0.000 2.607 1085 I HA 0.306 4.479 4.170 0.006 0.000 0.305 1085 I C -0.959 175.282 176.117 0.207 0.000 0.995 1085 I CA -0.711 60.714 61.300 0.207 0.000 1.148 1085 I CB 1.054 39.093 38.000 0.064 0.000 1.323 1085 I HN 0.495 nan 8.210 nan 0.000 0.461 1086 F N 6.574 126.466 119.950 -0.098 0.000 2.404 1086 F HA 0.503 5.034 4.527 0.006 0.000 0.358 1086 F C -1.166 174.636 175.800 0.005 0.000 1.120 1086 F CA -0.585 57.250 58.000 -0.275 0.000 1.144 1086 F CB 0.295 39.024 39.000 -0.451 0.000 1.133 1086 F HN 0.171 nan 8.300 nan 0.000 0.495 1087 F N 4.588 124.097 119.950 -0.735 0.000 2.561 1087 F HA 0.773 5.303 4.527 0.006 0.000 0.313 1087 F C -0.251 175.212 175.800 -0.562 0.000 1.126 1087 F CA -0.303 57.403 58.000 -0.491 0.000 0.918 1087 F CB 1.781 40.640 39.000 -0.234 0.000 1.199 1087 F HN 0.716 nan 8.300 nan 0.000 0.444 1088 G N 4.267 112.533 108.800 -0.890 0.000 2.333 1088 G HA2 0.367 4.331 3.960 0.006 0.000 0.288 1088 G HA3 0.367 4.331 3.960 0.006 0.000 0.288 1088 G C -3.501 171.099 174.900 -0.501 0.000 1.286 1088 G CA -0.821 43.887 45.100 -0.654 0.000 0.865 1088 G HN 0.324 nan 8.290 nan 0.000 0.506 1089 P HA 0.481 nan 4.420 nan 0.000 0.297 1089 P C -0.869 176.410 177.300 -0.035 0.000 1.331 1089 P CA -0.123 62.882 63.100 -0.159 0.000 0.803 1089 P CB 1.519 33.149 31.700 -0.118 0.000 0.929 1090 T N 3.332 117.923 114.554 0.061 0.000 2.840 1090 T HA 0.211 4.564 4.350 0.006 0.000 0.287 1090 T C -0.730 174.128 174.700 0.264 0.000 0.991 1090 T CA -0.344 61.852 62.100 0.161 0.000 0.964 1090 T CB 0.333 69.330 68.868 0.215 0.000 0.954 1090 T HN 0.211 nan 8.240 nan 0.000 0.438 1091 Y N 3.577 123.925 120.300 0.080 0.000 2.729 1091 Y HA 0.221 4.774 4.550 0.007 0.000 0.331 1091 Y C -0.797 175.175 175.900 0.119 0.000 1.208 1091 Y CA 0.192 58.355 58.100 0.106 0.000 1.521 1091 Y CB 0.072 38.561 38.460 0.048 0.000 1.233 1091 Y HN 0.580 nan 8.280 nan 0.000 0.539 1092 Y N 4.327 124.558 120.300 -0.115 0.000 2.468 1092 Y HA 0.368 4.922 4.550 0.006 0.000 0.342 1092 Y C -0.377 175.619 175.900 0.160 0.000 1.021 1092 Y CA -0.822 57.350 58.100 0.120 0.000 1.079 1092 Y CB 1.583 40.227 38.460 0.307 0.000 1.226 1092 Y HN 0.482 nan 8.280 nan 0.000 0.460 1093 Q N 3.027 122.979 119.800 0.252 0.000 2.282 1093 Q HA 0.454 4.797 4.340 0.006 0.000 0.260 1093 Q C -0.833 175.227 176.000 0.099 0.000 0.964 1093 Q CA -1.059 54.878 55.803 0.223 0.000 0.880 1093 Q CB 2.356 31.179 28.738 0.141 0.000 1.286 1093 Q HN 0.469 nan 8.270 nan 0.000 0.445 1094 R N 2.929 123.442 120.500 0.022 0.000 2.198 1094 R HA 0.329 4.673 4.340 0.006 0.000 0.339 1094 R C -0.819 175.341 176.300 -0.234 0.000 1.020 1094 R CA -0.205 55.619 56.100 -0.459 0.000 0.864 1094 R CB 0.275 30.323 30.300 -0.421 0.000 1.105 1094 R HN 0.548 nan 8.270 nan 0.000 0.463 1095 L N 3.883 124.943 121.223 -0.272 0.000 2.456 1095 L HA 0.442 4.785 4.340 0.006 0.000 0.257 1095 L C 1.111 177.893 176.870 -0.146 0.000 1.162 1095 L CA -0.790 53.981 54.840 -0.114 0.000 0.808 1095 L CB 0.571 42.605 42.059 -0.042 0.000 1.136 1095 L HN 0.645 nan 8.230 nan 0.000 0.466 1096 R N -0.356 120.062 120.500 -0.137 0.000 2.954 1096 R HA 0.180 4.524 4.340 0.006 0.000 0.276 1096 R C -0.775 175.381 176.300 -0.240 0.000 1.218 1096 R CA -0.494 55.478 56.100 -0.214 0.000 1.149 1096 R CB 0.001 30.084 30.300 -0.362 0.000 1.112 1096 R HN 0.691 nan 8.270 nan 0.000 0.577 1097 H N -1.241 117.798 119.070 -0.051 0.000 3.371 1097 H HA -0.094 4.466 4.556 0.006 0.000 0.368 1097 H C -1.153 174.144 175.328 -0.052 0.000 1.178 1097 H CA 0.797 56.817 56.048 -0.047 0.000 1.191 1097 H CB -1.495 28.242 29.762 -0.042 0.000 1.547 1097 H HN 0.543 nan 8.280 nan 0.000 0.411 1098 M N 2.141 121.758 119.600 0.028 0.000 2.227 1098 M HA 0.226 4.710 4.480 0.006 0.000 0.335 1098 M C 2.070 178.380 176.300 0.017 0.000 1.053 1098 M CA -0.695 54.608 55.300 0.005 0.000 0.973 1098 M CB 2.136 34.708 32.600 -0.047 0.000 1.623 1098 M HN 0.208 nan 8.290 nan 0.000 0.434 1099 V N -0.206 119.727 119.914 0.032 0.000 2.257 1099 V HA -0.340 3.784 4.120 0.006 0.000 0.257 1099 V C 1.299 177.404 176.094 0.018 0.000 1.077 1099 V CA 2.310 64.628 62.300 0.031 0.000 1.063 1099 V CB -0.926 30.915 31.823 0.031 0.000 0.664 1099 V HN 0.868 nan 8.190 nan 0.000 0.450 1100 D N -0.085 120.313 120.400 -0.003 0.000 2.384 1100 D HA -0.128 4.516 4.640 0.006 0.000 0.222 1100 D C 1.394 177.679 176.300 -0.026 0.000 0.976 1100 D CA 1.587 55.577 54.000 -0.017 0.000 0.915 1100 D CB -0.133 40.644 40.800 -0.039 0.000 0.896 1100 D HN 0.597 nan 8.370 nan 0.000 0.523 1101 D N -0.762 119.623 120.400 -0.025 0.000 2.407 1101 D HA 0.059 4.703 4.640 0.006 0.000 0.208 1101 D C 1.723 178.035 176.300 0.019 0.000 1.083 1101 D CA 0.227 54.215 54.000 -0.021 0.000 0.844 1101 D CB 0.574 41.346 40.800 -0.048 0.000 0.967 1101 D HN 0.043 nan 8.370 nan 0.000 0.506 1102 K N -0.144 120.278 120.400 0.036 0.000 2.312 1102 K HA 0.170 4.494 4.320 0.006 0.000 0.206 1102 K C 0.761 177.405 176.600 0.073 0.000 1.121 1102 K CA -0.291 56.027 56.287 0.053 0.000 0.923 1102 K CB 0.894 33.428 32.500 0.056 0.000 1.162 1102 K HN 0.004 nan 8.250 nan 0.000 0.478 1103 I N 3.891 124.502 120.570 0.067 0.000 3.252 1103 I HA -0.237 3.937 4.170 0.006 0.000 0.331 1103 I C -0.088 176.116 176.117 0.145 0.000 1.237 1103 I CA 1.380 62.728 61.300 0.081 0.000 1.436 1103 I CB -0.799 37.232 38.000 0.051 0.000 1.338 1103 I HN 0.291 nan 8.210 nan 0.000 0.512 1104 H N 5.548 124.628 119.070 0.017 0.000 2.894 1104 H HA 0.764 5.324 4.556 0.005 0.000 0.367 1104 H C -1.294 174.044 175.328 0.017 0.000 1.144 1104 H CA -0.583 55.476 56.048 0.018 0.000 1.180 1104 H CB 1.837 31.612 29.762 0.021 0.000 1.758 1104 H HN 0.617 nan 8.280 nan 0.000 0.541 1105 A N 4.445 126.922 122.820 -0.572 0.000 2.488 1105 A HA 0.690 5.014 4.320 0.006 0.000 0.298 1105 A C -1.266 176.013 177.584 -0.509 0.000 1.044 1105 A CA -0.735 51.040 52.037 -0.438 0.000 0.693 1105 A CB 1.461 20.358 19.000 -0.171 0.000 1.272 1105 A HN 0.814 nan 8.150 nan 0.000 0.402 1106 R N 1.247 121.539 120.500 -0.348 0.000 2.651 1106 R HA 0.766 5.109 4.340 0.006 0.000 0.278 1106 R C -1.437 174.803 176.300 -0.100 0.000 1.010 1106 R CA -0.039 55.951 56.100 -0.182 0.000 0.896 1106 R CB 2.006 32.233 30.300 -0.121 0.000 1.211 1106 R HN 1.493 nan 8.270 nan 0.000 0.456 1107 A N 4.254 127.035 122.820 -0.064 0.000 2.855 1107 A HA 0.559 4.882 4.320 0.006 0.000 0.313 1107 A C -0.437 177.126 177.584 -0.035 0.000 1.173 1107 A CA -0.362 51.647 52.037 -0.048 0.000 0.753 1107 A CB 0.481 19.454 19.000 -0.044 0.000 1.200 1107 A HN 1.032 nan 8.150 nan 0.000 0.442 1108 R N -0.060 120.422 120.500 -0.029 0.000 4.032 1108 R HA 0.090 4.434 4.340 0.006 0.000 0.424 1108 R C 0.531 176.824 176.300 -0.012 0.000 0.241 1108 R CA 1.581 57.669 56.100 -0.020 0.000 1.347 1108 R CB -0.833 29.455 30.300 -0.021 0.000 1.148 1108 R HN 2.715 nan 8.270 nan 0.000 0.489 1109 G N -0.308 108.488 108.800 -0.007 0.000 2.225 1109 G HA2 0.064 4.028 3.960 0.006 0.000 0.203 1109 G HA3 0.064 4.028 3.960 0.006 0.000 0.203 1109 G C -2.805 172.099 174.900 0.006 0.000 1.335 1109 G CA -0.410 44.690 45.100 -0.001 0.000 1.183 1109 G HN 0.669 nan 8.290 nan 0.000 0.488 1110 P HA 0.559 nan 4.420 nan 0.000 0.276 1110 P C -0.549 176.762 177.300 0.018 0.000 1.243 1110 P CA 0.247 63.358 63.100 0.020 0.000 0.768 1110 P CB 0.842 32.559 31.700 0.029 0.000 0.856 1111 M N 0.929 120.535 119.600 0.009 0.000 2.727 1111 M HA 0.321 4.805 4.480 0.006 0.000 0.300 1111 M C 0.825 177.126 176.300 0.002 0.000 1.246 1111 M CA -0.977 54.326 55.300 0.004 0.000 0.835 1111 M CB 2.036 34.630 32.600 -0.010 0.000 1.755 1111 M HN 0.288 nan 8.290 nan 0.000 0.473 1112 Q N -0.057 119.746 119.800 0.004 0.000 2.870 1112 Q HA 0.126 4.470 4.340 0.006 0.000 0.189 1112 Q C 0.709 176.704 176.000 -0.008 0.000 1.161 1112 Q CA 0.196 56.004 55.803 0.008 0.000 1.248 1112 Q CB 0.575 29.325 28.738 0.021 0.000 1.302 1112 Q HN 0.681 nan 8.270 nan 0.000 0.693 1113 V N -3.278 116.641 119.914 0.007 0.000 3.480 1113 V HA 0.075 4.199 4.120 0.006 0.000 0.263 1113 V C 1.416 177.541 176.094 0.051 0.000 1.442 1113 V CA 0.059 62.361 62.300 0.003 0.000 1.053 1113 V CB -0.115 31.715 31.823 0.012 0.000 0.846 1113 V HN 0.554 nan 8.190 nan 0.000 0.440 1114 L N 1.885 123.148 121.223 0.067 0.000 2.044 1114 L HA 0.054 4.398 4.340 0.006 0.000 0.205 1114 L C 2.274 179.261 176.870 0.193 0.000 1.075 1114 L CA 2.965 57.863 54.840 0.096 0.000 0.747 1114 L CB -0.212 41.878 42.059 0.051 0.000 0.903 1114 L HN 0.508 nan 8.230 nan 0.000 0.435 1115 T N -3.351 111.303 114.554 0.168 0.000 2.975 1115 T HA 0.197 4.551 4.350 0.006 0.000 0.257 1115 T C 0.844 175.692 174.700 0.246 0.000 1.003 1115 T CA -0.138 62.104 62.100 0.235 0.000 0.932 1115 T CB 0.310 69.240 68.868 0.105 0.000 1.087 1115 T HN 0.130 nan 8.240 nan 0.000 0.512 1116 R N 1.091 121.592 120.500 0.001 0.000 3.758 1116 R HA -0.157 4.187 4.340 0.006 0.000 0.299 1116 R C -0.323 175.966 176.300 -0.019 0.000 1.182 1116 R CA 0.522 56.547 56.100 -0.126 0.000 0.809 1116 R CB -1.755 28.304 30.300 -0.401 0.000 1.249 1116 R HN 0.552 nan 8.270 nan 0.000 0.497 1117 Q N 0.299 120.115 119.800 0.026 0.000 2.235 1117 Q HA 0.297 4.641 4.340 0.006 0.000 0.250 1117 Q C -2.229 173.784 176.000 0.022 0.000 0.909 1117 Q CA -2.177 53.645 55.803 0.031 0.000 0.910 1117 Q CB 1.099 29.864 28.738 0.045 0.000 1.223 1117 Q HN -0.116 nan 8.270 nan 0.000 0.432 1118 P HA -0.138 nan 4.420 nan 0.000 0.264 1118 P C -0.619 176.702 177.300 0.036 0.000 1.179 1118 P CA 0.161 63.277 63.100 0.028 0.000 0.763 1118 P CB 0.266 31.985 31.700 0.032 0.000 0.806 1119 V N 0.276 120.213 119.914 0.037 0.000 3.133 1119 V HA 0.249 4.373 4.120 0.006 0.000 0.305 1119 V C 0.437 176.556 176.094 0.042 0.000 1.084 1119 V CA -0.614 61.708 62.300 0.036 0.000 1.089 1119 V CB 0.306 32.148 31.823 0.032 0.000 1.073 1119 V HN 0.496 nan 8.190 nan 0.000 0.477 1120 E N 1.273 121.492 120.200 0.031 0.000 2.354 1120 E HA 0.503 4.857 4.350 0.006 0.000 0.269 1120 E C 0.423 177.028 176.600 0.009 0.000 1.036 1120 E CA 0.428 56.844 56.400 0.027 0.000 0.876 1120 E CB 0.653 30.365 29.700 0.020 0.000 1.009 1120 E HN 1.724 nan 8.360 nan 0.000 0.416 1121 G N 3.309 112.110 108.800 0.002 0.000 2.801 1121 G HA2 -0.331 3.633 3.960 0.006 0.000 0.686 1121 G HA3 -0.331 3.633 3.960 0.006 0.000 0.686 1121 G C 0.521 175.309 174.900 -0.187 0.000 1.507 1121 G CA 0.177 45.239 45.100 -0.064 0.000 0.980 1121 G HN 0.854 nan 8.290 nan 0.000 0.589 1122 R N 0.065 120.314 120.500 -0.418 0.000 2.159 1122 R HA -0.102 4.242 4.340 0.006 0.000 0.237 1122 R C 2.452 178.561 176.300 -0.318 0.000 1.131 1122 R CA 2.382 57.982 56.100 -0.834 0.000 0.982 1122 R CB -0.578 29.233 30.300 -0.815 0.000 0.868 1122 R HN 0.691 nan 8.270 nan 0.000 0.453 1123 S N 1.335 116.940 115.700 -0.158 0.000 2.383 1123 S HA -0.131 4.343 4.470 0.006 0.000 0.229 1123 S C 0.944 175.530 174.600 -0.023 0.000 1.030 1123 S CA 1.410 59.575 58.200 -0.059 0.000 1.002 1123 S CB -0.170 63.013 63.200 -0.028 0.000 0.829 1123 S HN 0.440 nan 8.310 nan 0.000 0.467 1124 R N 1.470 121.958 120.500 -0.020 0.000 3.311 1124 R HA 0.390 4.733 4.340 0.006 0.000 0.332 1124 R C -0.819 175.504 176.300 0.038 0.000 1.317 1124 R CA -0.191 55.919 56.100 0.016 0.000 1.192 1124 R CB -0.885 29.430 30.300 0.024 0.000 1.454 1124 R HN 0.105 nan 8.270 nan 0.000 0.605 1125 D N 0.738 121.168 120.400 0.050 0.000 2.859 1125 D HA -0.195 4.449 4.640 0.006 0.000 0.215 1125 D C 0.372 176.790 176.300 0.197 0.000 1.253 1125 D CA 1.398 55.511 54.000 0.188 0.000 0.673 1125 D CB -0.477 40.415 40.800 0.153 0.000 0.941 1125 D HN 0.602 nan 8.370 nan 0.000 0.394 1126 G N -0.544 108.380 108.800 0.206 0.000 2.795 1126 G HA2 0.722 4.686 3.960 0.006 0.000 0.267 1126 G HA3 0.722 4.686 3.960 0.006 0.000 0.267 1126 G C 0.720 175.777 174.900 0.261 0.000 1.362 1126 G CA -0.302 44.901 45.100 0.172 0.000 1.048 1126 G HN 0.401 nan 8.290 nan 0.000 0.547 1127 G N -1.707 107.180 108.800 0.145 0.000 2.773 1127 G HA2 0.550 4.514 3.960 0.006 0.000 0.186 1127 G HA3 0.550 4.514 3.960 0.006 0.000 0.186 1127 G C -0.852 174.129 174.900 0.134 0.000 1.411 1127 G CA -0.690 44.478 45.100 0.114 0.000 1.054 1127 G HN 0.529 nan 8.290 nan 0.000 0.579 1128 L N -0.720 120.564 121.223 0.102 0.000 2.371 1128 L HA 0.498 4.842 4.340 0.006 0.000 0.262 1128 L C 0.212 177.152 176.870 0.117 0.000 1.006 1128 L CA -0.844 54.062 54.840 0.111 0.000 0.818 1128 L CB 2.552 44.681 42.059 0.116 0.000 1.354 1128 L HN 0.393 nan 8.230 nan 0.000 0.415 1129 R N 1.176 121.743 120.500 0.111 0.000 2.340 1129 R HA 0.191 4.534 4.340 0.006 0.000 0.300 1129 R C -1.001 175.406 176.300 0.178 0.000 1.069 1129 R CA -0.303 55.869 56.100 0.119 0.000 0.984 1129 R CB 0.508 30.852 30.300 0.074 0.000 1.003 1129 R HN 0.433 nan 8.270 nan 0.000 0.459 1130 F N 4.866 124.829 119.950 0.022 0.000 2.441 1130 F HA 0.346 4.877 4.527 0.006 0.000 0.337 1130 F C 0.522 176.337 175.800 0.026 0.000 1.182 1130 F CA -0.510 57.506 58.000 0.026 0.000 1.279 1130 F CB 0.227 39.234 39.000 0.013 0.000 1.614 1130 F HN 0.649 nan 8.300 nan 0.000 0.574 1131 G N 2.034 110.778 108.800 -0.095 0.000 2.684 1131 G HA2 0.015 3.978 3.960 0.006 0.000 0.255 1131 G HA3 0.015 3.978 3.960 0.006 0.000 0.255 1131 G C 0.857 175.675 174.900 -0.137 0.000 1.219 1131 G CA -0.309 44.745 45.100 -0.076 0.000 0.901 1131 G HN 0.589 nan 8.290 nan 0.000 0.548 1132 E N -0.617 119.540 120.200 -0.071 0.000 2.086 1132 E HA -0.306 4.048 4.350 0.006 0.000 0.205 1132 E C 2.346 178.887 176.600 -0.098 0.000 1.027 1132 E CA 1.823 58.185 56.400 -0.064 0.000 0.830 1132 E CB -0.158 29.521 29.700 -0.034 0.000 0.751 1132 E HN 0.520 nan 8.360 nan 0.000 0.456 1133 M N 0.618 120.161 119.600 -0.095 0.000 2.213 1133 M HA -0.191 4.292 4.480 0.006 0.000 0.263 1133 M C 1.760 177.976 176.300 -0.140 0.000 1.062 1133 M CA 1.429 56.674 55.300 -0.090 0.000 1.105 1133 M CB 0.181 32.742 32.600 -0.065 0.000 1.385 1133 M HN -0.080 nan 8.290 nan 0.000 0.417 1134 E N -0.084 119.968 120.200 -0.247 0.000 2.051 1134 E HA -0.196 4.158 4.350 0.006 0.000 0.192 1134 E C 1.994 178.333 176.600 -0.435 0.000 0.991 1134 E CA 1.217 57.351 56.400 -0.443 0.000 0.799 1134 E CB -0.387 28.797 29.700 -0.859 0.000 0.748 1134 E HN 0.391 nan 8.360 nan 0.000 0.449 1135 R N 0.685 120.961 120.500 -0.374 0.000 2.117 1135 R HA -0.199 4.145 4.340 0.006 0.000 0.243 1135 R C 1.164 177.452 176.300 -0.021 0.000 1.143 1135 R CA 1.855 57.884 56.100 -0.119 0.000 0.968 1135 R CB -0.220 30.062 30.300 -0.030 0.000 0.863 1135 R HN 0.190 nan 8.270 nan 0.000 0.444 1136 D N 0.122 120.491 120.400 -0.051 0.000 2.084 1136 D HA -0.158 4.486 4.640 0.006 0.000 0.194 1136 D C 2.024 178.317 176.300 -0.012 0.000 0.990 1136 D CA 1.553 55.538 54.000 -0.023 0.000 0.826 1136 D CB -0.735 40.044 40.800 -0.037 0.000 0.971 1136 D HN 0.369 nan 8.370 nan 0.000 0.453 1137 C N 0.678 119.971 119.300 -0.012 0.000 2.410 1137 C HA -0.069 4.395 4.460 0.006 0.000 0.281 1137 C C 2.610 177.658 174.990 0.097 0.000 1.318 1137 C CA 0.212 59.238 59.018 0.013 0.000 1.776 1137 C CB -0.798 26.981 27.740 0.065 0.000 1.942 1137 C HN 0.267 nan 8.230 nan 0.000 0.508 1138 M N 1.287 120.994 119.600 0.178 0.000 2.064 1138 M HA 0.022 4.505 4.480 0.006 0.000 0.260 1138 M C 2.102 178.526 176.300 0.206 0.000 1.073 1138 M CA 1.405 56.888 55.300 0.304 0.000 1.124 1138 M CB -1.332 31.515 32.600 0.412 0.000 1.326 1138 M HN 0.316 nan 8.290 nan 0.000 0.410 1139 I N 0.318 120.966 120.570 0.129 0.000 2.300 1139 I HA -0.310 3.864 4.170 0.006 0.000 0.252 1139 I C 2.463 178.592 176.117 0.019 0.000 1.119 1139 I CA 1.252 62.599 61.300 0.078 0.000 1.384 1139 I CB -0.877 37.154 38.000 0.051 0.000 1.062 1139 I HN 0.236 nan 8.210 nan 0.000 0.426 1140 A N 0.551 123.339 122.820 -0.053 0.000 1.940 1140 A HA -0.247 4.076 4.320 0.006 0.000 0.219 1140 A C 1.951 179.377 177.584 -0.264 0.000 1.176 1140 A CA 1.978 53.899 52.037 -0.194 0.000 0.631 1140 A CB -1.046 17.766 19.000 -0.313 0.000 0.814 1140 A HN 0.564 nan 8.150 nan 0.000 0.446 1141 H N -1.654 117.423 119.070 0.012 0.000 2.548 1141 H HA 0.363 4.922 4.556 0.006 0.000 0.265 1141 H C 1.584 176.916 175.328 0.007 0.000 0.969 1141 H CA 0.477 56.523 56.048 -0.003 0.000 1.155 1141 H CB 0.120 29.864 29.762 -0.030 0.000 1.394 1141 H HN 0.614 nan 8.280 nan 0.000 0.570 1142 G N 0.727 109.591 108.800 0.107 0.000 2.168 1142 G HA2 -0.345 3.619 3.960 0.006 0.000 0.257 1142 G HA3 -0.345 3.619 3.960 0.006 0.000 0.257 1142 G C 0.548 175.512 174.900 0.107 0.000 0.997 1142 G CA 0.196 45.349 45.100 0.088 0.000 0.708 1142 G HN 0.701 nan 8.290 nan 0.000 0.520 1143 A N -0.183 122.721 122.820 0.140 0.000 2.535 1143 A HA 0.681 5.005 4.320 0.006 0.000 0.290 1143 A C 1.594 179.297 177.584 0.198 0.000 1.270 1143 A CA 1.250 53.371 52.037 0.139 0.000 0.937 1143 A CB -0.085 18.961 19.000 0.077 0.000 1.096 1143 A HN 1.730 nan 8.150 nan 0.000 0.534 1144 A N 1.944 124.850 122.820 0.143 0.000 1.911 1144 A HA 0.117 4.440 4.320 0.006 0.000 0.212 1144 A C 2.250 179.903 177.584 0.115 0.000 1.189 1144 A CA 1.469 53.579 52.037 0.121 0.000 0.639 1144 A CB -0.279 18.769 19.000 0.081 0.000 0.839 1144 A HN 0.635 nan 8.150 nan 0.000 0.449 1145 S N -1.082 114.687 115.700 0.115 0.000 2.461 1145 S HA 0.011 4.485 4.470 0.006 0.000 0.228 1145 S C 1.445 176.108 174.600 0.105 0.000 1.005 1145 S CA 0.637 58.889 58.200 0.087 0.000 0.942 1145 S CB -0.396 62.844 63.200 0.068 0.000 0.776 1145 S HN 0.566 nan 8.310 nan 0.000 0.514 1146 F N 1.818 121.774 119.950 0.009 0.000 2.293 1146 F HA 0.132 4.662 4.527 0.006 0.000 0.300 1146 F C 1.400 177.197 175.800 -0.006 0.000 1.086 1146 F CA 1.042 59.039 58.000 -0.005 0.000 1.375 1146 F CB -0.045 38.962 39.000 0.012 0.000 1.045 1146 F HN 0.106 nan 8.300 nan 0.000 0.516 1147 L N -0.245 121.029 121.223 0.085 0.000 2.607 1147 L HA 0.041 4.384 4.340 0.006 0.000 0.228 1147 L C 2.098 178.962 176.870 -0.009 0.000 1.123 1147 L CA 0.224 55.083 54.840 0.033 0.000 0.890 1147 L CB -0.253 41.901 42.059 0.159 0.000 1.103 1147 L HN 0.051 nan 8.230 nan 0.000 0.468 1148 K N 0.657 121.046 120.400 -0.017 0.000 2.067 1148 K HA -0.167 4.156 4.320 0.006 0.000 0.203 1148 K C 1.892 178.440 176.600 -0.087 0.000 1.048 1148 K CA 1.113 57.383 56.287 -0.027 0.000 0.954 1148 K CB 0.235 32.731 32.500 -0.007 0.000 0.737 1148 K HN 0.140 nan 8.250 nan 0.000 0.444 1149 E N 0.341 120.451 120.200 -0.149 0.000 2.007 1149 E HA -0.121 4.233 4.350 0.006 0.000 0.194 1149 E C 1.636 178.052 176.600 -0.308 0.000 0.999 1149 E CA 0.957 57.230 56.400 -0.211 0.000 0.811 1149 E CB 0.137 29.698 29.700 -0.231 0.000 0.762 1149 E HN 0.070 nan 8.360 nan 0.000 0.450 1150 R N -0.081 120.100 120.500 -0.533 0.000 2.369 1150 R HA -0.027 4.317 4.340 0.006 0.000 0.200 1150 R C 0.317 176.386 176.300 -0.386 0.000 1.046 1150 R CA 0.524 56.240 56.100 -0.639 0.000 1.057 1150 R CB -0.139 29.450 30.300 -1.184 0.000 0.888 1150 R HN 0.224 nan 8.270 nan 0.000 0.474 1151 L N -1.307 119.793 121.223 -0.205 0.000 3.524 1151 L HA 0.204 4.547 4.340 0.006 0.000 0.337 1151 L C 0.683 177.533 176.870 -0.033 0.000 1.330 1151 L CA 0.092 54.886 54.840 -0.076 0.000 0.966 1151 L CB 0.571 42.626 42.059 -0.006 0.000 1.395 1151 L HN -0.097 nan 8.230 nan 0.000 0.616 1152 M N -1.618 117.951 119.600 -0.052 0.000 2.078 1152 M HA 0.230 4.714 4.480 0.006 0.000 0.180 1152 M C 0.908 177.203 176.300 -0.008 0.000 1.844 1152 M CA 0.515 55.815 55.300 -0.000 0.000 0.975 1152 M CB 0.099 32.707 32.600 0.013 0.000 1.511 1152 M HN -0.051 nan 8.290 nan 0.000 0.607 1153 E N 1.130 121.304 120.200 -0.043 0.000 2.512 1153 E HA 0.241 4.595 4.350 0.006 0.000 0.195 1153 E C 0.697 177.260 176.600 -0.061 0.000 1.083 1153 E CA 0.416 56.792 56.400 -0.041 0.000 0.873 1153 E CB 0.052 29.721 29.700 -0.052 0.000 0.897 1153 E HN 0.449 nan 8.360 nan 0.000 0.514 1154 A N -0.981 121.790 122.820 -0.081 0.000 2.630 1154 A HA 0.389 4.713 4.320 0.006 0.000 0.287 1154 A C 0.943 178.488 177.584 -0.065 0.000 1.040 1154 A CA -0.090 51.892 52.037 -0.092 0.000 0.971 1154 A CB 0.646 19.551 19.000 -0.159 0.000 1.241 1154 A HN 0.094 nan 8.150 nan 0.000 0.558 1155 S N -0.331 115.349 115.700 -0.033 0.000 5.452 1155 S HA 0.279 4.753 4.470 0.006 0.000 0.133 1155 S C -1.461 173.154 174.600 0.025 0.000 1.088 1155 S CA 0.436 58.634 58.200 -0.004 0.000 1.304 1155 S CB 0.433 63.632 63.200 -0.001 0.000 2.087 1155 S HN 0.379 nan 8.310 nan 0.000 0.718 1156 D N 1.201 121.632 120.400 0.052 0.000 2.646 1156 D HA 0.684 5.327 4.640 0.006 0.000 0.245 1156 D C -0.900 175.473 176.300 0.121 0.000 1.099 1156 D CA -0.396 53.664 54.000 0.099 0.000 0.849 1156 D CB 1.651 42.548 40.800 0.161 0.000 1.448 1156 D HN 0.430 nan 8.370 nan 0.000 0.489 1157 A N 1.922 124.829 122.820 0.144 0.000 3.129 1157 A HA 0.292 4.616 4.320 0.006 0.000 0.282 1157 A C -0.612 177.061 177.584 0.147 0.000 0.948 1157 A CA -0.721 51.419 52.037 0.171 0.000 1.027 1157 A CB -0.352 18.747 19.000 0.164 0.000 1.123 1157 A HN 0.402 nan 8.150 nan 0.000 0.485 1158 F N 1.094 121.066 119.950 0.037 0.000 2.539 1158 F HA 0.444 4.974 4.527 0.006 0.000 0.340 1158 F C 0.855 176.587 175.800 -0.112 0.000 1.185 1158 F CA 0.494 58.504 58.000 0.018 0.000 1.333 1158 F CB 0.572 39.679 39.000 0.178 0.000 1.152 1158 F HN 0.292 nan 8.300 nan 0.000 0.602 1159 R N 4.457 124.470 120.500 -0.813 0.000 2.483 1159 R HA 0.541 4.885 4.340 0.006 0.000 0.303 1159 R C -1.708 174.232 176.300 -0.600 0.000 0.987 1159 R CA -0.417 55.293 56.100 -0.650 0.000 0.881 1159 R CB 1.251 31.169 30.300 -0.635 0.000 1.177 1159 R HN 0.589 nan 8.270 nan 0.000 0.451 1160 V N 2.130 121.871 119.914 -0.289 0.000 3.240 1160 V HA 0.588 4.712 4.120 0.006 0.000 0.306 1160 V C -0.200 175.698 176.094 -0.326 0.000 1.227 1160 V CA -0.939 61.295 62.300 -0.111 0.000 1.047 1160 V CB 2.149 34.077 31.823 0.174 0.000 1.203 1160 V HN 0.660 nan 8.190 nan 0.000 0.471 1161 H N 1.010 120.113 119.070 0.055 0.000 2.727 1161 H HA 0.509 5.069 4.556 0.006 0.000 0.330 1161 H C -1.251 174.101 175.328 0.039 0.000 0.986 1161 H CA -0.528 55.541 56.048 0.035 0.000 1.251 1161 H CB 1.806 31.594 29.762 0.044 0.000 1.493 1161 H HN 0.291 nan 8.280 nan 0.000 0.515 1162 I N 1.827 122.462 120.570 0.108 0.000 2.488 1162 I HA 0.058 4.231 4.170 0.006 0.000 0.299 1162 I C 0.999 177.153 176.117 0.062 0.000 0.984 1162 I CA -0.492 60.850 61.300 0.070 0.000 1.250 1162 I CB 1.492 39.513 38.000 0.035 0.000 1.389 1162 I HN 0.535 nan 8.210 nan 0.000 0.488 1163 C N 4.254 123.568 119.300 0.024 0.000 2.452 1163 C HA 0.481 4.945 4.460 0.006 0.000 0.379 1163 C C 1.835 176.815 174.990 -0.017 0.000 1.275 1163 C CA -0.223 58.798 59.018 0.006 0.000 2.056 1163 C CB 0.209 27.948 27.740 -0.002 0.000 2.506 1163 C HN 1.022 nan 8.230 nan 0.000 0.560 1164 G N 4.508 113.328 108.800 0.034 0.000 2.470 1164 G HA2 -0.046 3.918 3.960 0.006 0.000 0.220 1164 G HA3 -0.046 3.918 3.960 0.006 0.000 0.220 1164 G C 1.052 175.888 174.900 -0.107 0.000 1.121 1164 G CA 0.952 46.085 45.100 0.056 0.000 0.766 1164 G HN 0.723 nan 8.290 nan 0.000 0.553 1165 I N 0.648 121.172 120.570 -0.078 0.000 3.904 1165 I HA 0.095 4.269 4.170 0.006 0.000 0.235 1165 I C 1.313 177.393 176.117 -0.061 0.000 1.062 1165 I CA 0.138 61.404 61.300 -0.057 0.000 1.574 1165 I CB -1.081 36.920 38.000 0.002 0.000 1.503 1165 I HN 0.106 nan 8.210 nan 0.000 0.463 1166 c N 3.301 121.887 118.600 -0.023 0.000 2.896 1166 c HA 0.511 5.085 4.570 0.006 0.000 0.499 1166 c C 1.404 175.477 174.090 -0.028 0.000 1.022 1166 c CA -1.279 55.048 56.329 -0.004 0.000 1.127 1166 c CB -2.055 40.461 42.510 0.010 0.000 1.452 1166 c HN 0.567 nan 8.230 nan 0.000 0.580 1167 G N 2.669 111.429 108.800 -0.066 0.000 2.729 1167 G HA2 0.325 4.288 3.960 0.006 0.000 0.275 1167 G HA3 0.325 4.288 3.960 0.006 0.000 0.275 1167 G C -0.199 174.670 174.900 -0.051 0.000 0.677 1167 G CA 0.162 45.202 45.100 -0.100 0.000 2.102 1167 G HN 0.821 nan 8.290 nan 0.000 0.567 1168 L N 0.257 121.468 121.223 -0.021 0.000 2.434 1168 L HA 0.378 4.722 4.340 0.006 0.000 0.260 1168 L C 0.255 177.148 176.870 0.039 0.000 0.983 1168 L CA -1.048 53.793 54.840 0.002 0.000 0.820 1168 L CB 2.361 44.425 42.059 0.008 0.000 1.361 1168 L HN 0.180 nan 8.230 nan 0.000 0.410 1169 M N 2.511 122.150 119.600 0.066 0.000 2.869 1169 M HA 0.139 4.623 4.480 0.006 0.000 0.299 1169 M C -0.095 176.262 176.300 0.094 0.000 1.508 1169 M CA 0.302 55.664 55.300 0.104 0.000 1.551 1169 M CB -0.344 32.338 32.600 0.137 0.000 1.384 1169 M HN 0.665 nan 8.290 nan 0.000 0.491 1170 T N -1.368 113.238 114.554 0.087 0.000 3.154 1170 T HA 0.101 4.454 4.350 0.006 0.000 0.258 1170 T C 0.528 175.275 174.700 0.077 0.000 0.899 1170 T CA -0.321 61.823 62.100 0.073 0.000 0.908 1170 T CB 0.328 69.228 68.868 0.052 0.000 1.260 1170 T HN 0.356 nan 8.240 nan 0.000 0.521 1171 V N 3.835 123.801 119.914 0.086 0.000 2.678 1171 V HA -0.016 4.108 4.120 0.006 0.000 0.304 1171 V C 0.394 176.544 176.094 0.093 0.000 1.086 1171 V CA 0.231 62.584 62.300 0.090 0.000 1.246 1171 V CB -0.598 31.285 31.823 0.100 0.000 0.861 1171 V HN 0.393 nan 8.190 nan 0.000 0.491 1172 I N 4.240 124.858 120.570 0.080 0.000 2.396 1172 I HA 0.382 4.556 4.170 0.006 0.000 0.289 1172 I C 0.761 176.903 176.117 0.043 0.000 1.056 1172 I CA 0.277 61.607 61.300 0.050 0.000 1.365 1172 I CB 0.793 38.809 38.000 0.026 0.000 1.407 1172 I HN 0.723 nan 8.210 nan 0.000 0.509 1173 A N 7.233 130.036 122.820 -0.028 0.000 2.582 1173 A HA 0.348 4.672 4.320 0.006 0.000 0.336 1173 A C 0.025 177.508 177.584 -0.169 0.000 1.445 1173 A CA -0.691 51.259 52.037 -0.145 0.000 0.997 1173 A CB -0.250 18.535 19.000 -0.358 0.000 1.148 1173 A HN 0.684 nan 8.150 nan 0.000 0.514 1174 K N 2.611 122.852 120.400 -0.265 0.000 2.220 1174 K HA 0.437 4.760 4.320 0.006 0.000 0.283 1174 K C -0.485 176.048 176.600 -0.113 0.000 1.098 1174 K CA 0.185 56.386 56.287 -0.144 0.000 0.928 1174 K CB 0.104 32.514 32.500 -0.151 0.000 1.214 1174 K HN 0.767 nan 8.250 nan 0.000 0.442 1175 L N -0.408 120.729 121.223 -0.144 0.000 2.376 1175 L HA 0.602 4.946 4.340 0.006 0.000 0.258 1175 L C -0.839 175.780 176.870 -0.418 0.000 1.013 1175 L CA -1.322 53.339 54.840 -0.298 0.000 0.822 1175 L CB 1.608 43.581 42.059 -0.143 0.000 1.388 1175 L HN 0.133 nan 8.230 nan 0.000 0.413 1176 N N 1.833 120.222 118.700 -0.518 0.000 2.529 1176 N HA 0.475 5.218 4.740 0.006 0.000 0.278 1176 N C -0.845 174.193 175.510 -0.788 0.000 1.146 1176 N CA 0.306 53.080 53.050 -0.461 0.000 0.980 1176 N CB 0.148 38.501 38.487 -0.223 0.000 1.124 1176 N HN 0.970 nan 8.380 nan 0.000 0.458 1177 H N -0.956 118.068 119.070 -0.077 0.000 3.024 1177 H HA -0.133 4.427 4.556 0.006 0.000 0.209 1177 H C -0.935 174.236 175.328 -0.262 0.000 1.083 1177 H CA -0.292 55.683 56.048 -0.122 0.000 1.692 1177 H CB -0.848 28.839 29.762 -0.125 0.000 1.674 1177 H HN 0.814 nan 8.280 nan 0.000 0.373 1178 N N -0.112 118.447 118.700 -0.236 0.000 3.222 1178 N HA -0.113 4.630 4.740 0.006 0.000 0.225 1178 N C -1.327 174.065 175.510 -0.197 0.000 1.031 1178 N CA 0.716 53.723 53.050 -0.071 0.000 0.971 1178 N CB -0.494 38.034 38.487 0.068 0.000 1.083 1178 N HN 0.683 nan 8.380 nan 0.000 0.527 1179 Q N -0.537 118.961 119.800 -0.503 0.000 2.295 1179 Q HA 0.480 4.823 4.340 0.006 0.000 0.268 1179 Q C -1.006 174.612 176.000 -0.637 0.000 1.010 1179 Q CA -0.434 55.146 55.803 -0.372 0.000 0.856 1179 Q CB 1.580 30.141 28.738 -0.294 0.000 1.349 1179 Q HN 0.077 nan 8.270 nan 0.000 0.412 1180 F N 0.522 120.445 119.950 -0.046 0.000 1.948 1180 F HA 0.235 4.765 4.527 0.006 0.000 0.221 1180 F C -0.394 175.379 175.800 -0.045 0.000 1.234 1180 F CA -0.291 57.675 58.000 -0.058 0.000 1.301 1180 F CB 0.467 39.426 39.000 -0.069 0.000 1.848 1180 F HN 0.503 nan 8.300 nan 0.000 0.260 1181 E N 0.384 120.698 120.200 0.189 0.000 7.199 1181 E HA -0.216 4.137 4.350 0.006 0.000 0.263 1181 E C -1.239 175.402 176.600 0.069 0.000 1.009 1181 E CA -0.109 56.343 56.400 0.086 0.000 1.473 1181 E CB -1.208 28.519 29.700 0.045 0.000 0.927 1181 E HN 0.364 nan 8.360 nan 0.000 0.276 1182 C N 4.829 124.160 119.300 0.052 0.000 2.227 1182 C HA 0.285 4.749 4.460 0.006 0.000 0.333 1182 C C 0.470 175.477 174.990 0.029 0.000 1.145 1182 C CA -0.633 58.409 59.018 0.040 0.000 1.643 1182 C CB -1.126 26.632 27.740 0.031 0.000 2.185 1182 C HN 0.499 nan 8.230 nan 0.000 0.497 1183 K N 4.682 125.098 120.400 0.027 0.000 2.380 1183 K HA 0.549 4.872 4.320 0.006 0.000 0.267 1183 K C 1.255 177.866 176.600 0.019 0.000 0.990 1183 K CA 0.459 56.758 56.287 0.020 0.000 0.946 1183 K CB 0.111 32.621 32.500 0.018 0.000 0.937 1183 K HN 1.065 nan 8.250 nan 0.000 0.491 1184 G N 0.599 109.409 108.800 0.016 0.000 4.526 1184 G HA2 -0.375 3.588 3.960 0.006 0.000 0.217 1184 G HA3 -0.375 3.588 3.960 0.006 0.000 0.217 1184 G C 1.280 176.188 174.900 0.015 0.000 1.428 1184 G CA 0.120 45.229 45.100 0.015 0.000 0.928 1184 G HN 0.680 nan 8.290 nan 0.000 0.639 1185 c N 1.735 120.344 118.600 0.016 0.000 2.491 1185 c HA 0.318 4.892 4.570 0.006 0.000 0.277 1185 c C 1.375 175.473 174.090 0.013 0.000 1.455 1185 c CA 0.433 56.771 56.329 0.014 0.000 1.758 1185 c CB -1.232 41.287 42.510 0.014 0.000 1.745 1185 c HN 0.683 nan 8.230 nan 0.000 0.558 1186 D N 1.185 121.593 120.400 0.014 0.000 2.782 1186 D HA -0.157 4.487 4.640 0.006 0.000 0.231 1186 D C 0.088 176.395 176.300 0.011 0.000 1.163 1186 D CA 0.807 54.814 54.000 0.013 0.000 0.680 1186 D CB -1.174 39.633 40.800 0.010 0.000 1.062 1186 D HN 0.555 nan 8.370 nan 0.000 0.425 1187 N N 0.285 118.991 118.700 0.011 0.000 2.492 1187 N HA 0.037 4.780 4.740 0.006 0.000 0.262 1187 N C 1.131 176.646 175.510 0.008 0.000 1.202 1187 N CA 0.533 53.585 53.050 0.004 0.000 0.926 1187 N CB 0.731 39.216 38.487 -0.003 0.000 1.078 1187 N HN 0.223 nan 8.380 nan 0.000 0.454 1188 K N 2.461 122.860 120.400 -0.002 0.000 2.362 1188 K HA 0.215 4.538 4.320 0.006 0.000 0.203 1188 K C 0.889 177.484 176.600 -0.010 0.000 1.198 1188 K CA 0.479 56.771 56.287 0.008 0.000 0.908 1188 K CB 0.529 33.032 32.500 0.007 0.000 1.236 1188 K HN 0.427 nan 8.250 nan 0.000 0.487 1189 I N -0.209 120.332 120.570 -0.049 0.000 4.338 1189 I HA 0.082 4.256 4.170 0.006 0.000 0.315 1189 I C -0.407 175.600 176.117 -0.182 0.000 1.262 1189 I CA -0.075 61.167 61.300 -0.097 0.000 1.298 1189 I CB 0.408 38.366 38.000 -0.070 0.000 1.257 1189 I HN -0.187 nan 8.210 nan 0.000 0.444 1190 D N 3.513 123.827 120.400 -0.142 0.000 2.498 1190 D HA 0.386 5.030 4.640 0.006 0.000 0.229 1190 D C -0.529 175.645 176.300 -0.211 0.000 1.188 1190 D CA 0.665 54.560 54.000 -0.176 0.000 1.028 1190 D CB 0.226 41.004 40.800 -0.038 0.000 1.087 1190 D HN 0.123 nan 8.370 nan 0.000 0.510 1191 I N 2.166 122.493 120.570 -0.406 0.000 2.512 1191 I HA 0.227 4.401 4.170 0.006 0.000 0.287 1191 I C -0.653 175.189 176.117 -0.459 0.000 1.069 1191 I CA -0.716 60.388 61.300 -0.328 0.000 1.056 1191 I CB 1.333 39.111 38.000 -0.369 0.000 1.229 1191 I HN 0.040 nan 8.210 nan 0.000 0.429 1192 Y N 3.249 123.486 120.300 -0.104 0.000 2.568 1192 Y HA 0.673 5.226 4.550 0.006 0.000 0.327 1192 Y C 0.075 175.930 175.900 -0.075 0.000 1.163 1192 Y CA -0.649 57.400 58.100 -0.085 0.000 1.219 1192 Y CB 1.448 39.860 38.460 -0.080 0.000 1.308 1192 Y HN 0.427 nan 8.280 nan 0.000 0.503 1193 Q N 3.045 122.899 119.800 0.090 0.000 2.309 1193 Q HA 0.502 4.845 4.340 0.006 0.000 0.270 1193 Q C -1.579 174.415 176.000 -0.010 0.000 1.023 1193 Q CA -0.839 54.932 55.803 -0.054 0.000 0.758 1193 Q CB 1.280 29.968 28.738 -0.082 0.000 1.247 1193 Q HN 0.640 nan 8.270 nan 0.000 0.455 1194 I N 0.526 121.061 120.570 -0.058 0.000 2.693 1194 I HA 0.512 4.686 4.170 0.006 0.000 0.303 1194 I C -1.300 174.794 176.117 -0.038 0.000 1.025 1194 I CA -0.569 60.738 61.300 0.012 0.000 1.086 1194 I CB 1.890 39.916 38.000 0.043 0.000 1.268 1194 I HN 0.747 nan 8.210 nan 0.000 0.440 1195 H N 6.598 125.680 119.070 0.020 0.000 2.718 1195 H HA 0.555 5.114 4.556 0.006 0.000 0.295 1195 H C -0.545 174.822 175.328 0.065 0.000 1.051 1195 H CA -0.338 55.729 56.048 0.031 0.000 1.260 1195 H CB 1.642 31.412 29.762 0.014 0.000 1.403 1195 H HN 0.638 nan 8.280 nan 0.000 0.488 1196 I N 1.105 121.762 120.570 0.144 0.000 2.969 1196 I HA 0.560 4.733 4.170 0.006 0.000 0.307 1196 I C -3.218 172.992 176.117 0.155 0.000 1.149 1196 I CA -2.987 58.402 61.300 0.148 0.000 1.008 1196 I CB 1.833 39.927 38.000 0.156 0.000 1.232 1196 I HN 0.138 nan 8.210 nan 0.000 0.435 1197 P HA 0.109 nan 4.420 nan 0.000 0.269 1197 P C 0.091 177.458 177.300 0.112 0.000 1.209 1197 P CA 0.256 63.423 63.100 0.111 0.000 0.776 1197 P CB 0.386 32.115 31.700 0.049 0.000 0.876 1198 Y N 3.222 123.523 120.300 0.002 0.000 2.274 1198 Y HA -0.174 4.380 4.550 0.007 0.000 0.290 1198 Y C 2.196 177.998 175.900 -0.164 0.000 1.145 1198 Y CA 1.969 59.987 58.100 -0.136 0.000 1.203 1198 Y CB -0.775 37.583 38.460 -0.169 0.000 0.984 1198 Y HN 0.413 nan 8.280 nan 0.000 0.533 1199 A N -0.442 122.348 122.820 -0.050 0.000 2.225 1199 A HA 0.070 4.394 4.320 0.006 0.000 0.215 1199 A C 2.140 179.578 177.584 -0.243 0.000 1.164 1199 A CA 1.408 53.364 52.037 -0.135 0.000 0.710 1199 A CB -1.034 17.941 19.000 -0.042 0.000 0.780 1199 A HN 0.551 nan 8.150 nan 0.000 0.473 1200 A N -0.413 122.236 122.820 -0.284 0.000 1.993 1200 A HA 0.129 4.453 4.320 0.006 0.000 0.207 1200 A C 2.030 179.217 177.584 -0.661 0.000 1.224 1200 A CA 1.018 52.763 52.037 -0.488 0.000 0.749 1200 A CB -0.236 18.548 19.000 -0.359 0.000 0.884 1200 A HN 0.309 nan 8.150 nan 0.000 0.467 1201 K N 0.563 120.736 120.400 -0.378 0.000 2.103 1201 K HA -0.105 4.218 4.320 0.006 0.000 0.207 1201 K C 1.725 178.119 176.600 -0.343 0.000 1.048 1201 K CA 1.388 57.523 56.287 -0.253 0.000 0.930 1201 K CB -0.389 31.974 32.500 -0.227 0.000 0.716 1201 K HN 0.410 nan 8.250 nan 0.000 0.444 1202 L N 1.381 122.301 121.223 -0.505 0.000 2.056 1202 L HA -0.137 4.207 4.340 0.006 0.000 0.207 1202 L C 2.395 179.103 176.870 -0.270 0.000 1.078 1202 L CA 1.143 55.735 54.840 -0.413 0.000 0.749 1202 L CB -0.743 41.038 42.059 -0.463 0.000 0.901 1202 L HN 0.227 nan 8.230 nan 0.000 0.433 1203 L N -0.189 120.829 121.223 -0.342 0.000 2.012 1203 L HA -0.234 4.109 4.340 0.006 0.000 0.210 1203 L C 2.387 179.172 176.870 -0.143 0.000 1.073 1203 L CA 2.020 56.688 54.840 -0.288 0.000 0.748 1203 L CB -0.589 41.212 42.059 -0.431 0.000 0.891 1203 L HN 0.147 nan 8.230 nan 0.000 0.431 1204 F N -0.906 119.010 119.950 -0.056 0.000 2.084 1204 F HA -0.258 4.273 4.527 0.006 0.000 0.296 1204 F C 2.652 178.430 175.800 -0.037 0.000 1.111 1204 F CA 1.109 59.089 58.000 -0.034 0.000 1.224 1204 F CB -0.642 38.346 39.000 -0.020 0.000 0.991 1204 F HN 0.089 nan 8.300 nan 0.000 0.471 1205 Q N 0.566 120.437 119.800 0.118 0.000 2.082 1205 Q HA -0.295 4.048 4.340 0.006 0.000 0.211 1205 Q C 2.098 178.111 176.000 0.022 0.000 1.002 1205 Q CA 2.216 58.043 55.803 0.040 0.000 0.868 1205 Q CB -0.391 28.328 28.738 -0.032 0.000 0.931 1205 Q HN 0.513 nan 8.270 nan 0.000 0.414 1206 E N 0.161 120.355 120.200 -0.010 0.000 2.097 1206 E HA -0.213 4.140 4.350 0.006 0.000 0.196 1206 E C 2.117 178.729 176.600 0.020 0.000 1.000 1206 E CA 1.016 57.410 56.400 -0.009 0.000 0.804 1206 E CB -0.145 29.534 29.700 -0.035 0.000 0.740 1206 E HN 0.361 nan 8.360 nan 0.000 0.454 1207 L N 0.055 121.308 121.223 0.050 0.000 2.017 1207 L HA -0.185 4.159 4.340 0.006 0.000 0.208 1207 L C 2.553 179.455 176.870 0.054 0.000 1.073 1207 L CA 1.066 55.944 54.840 0.064 0.000 0.745 1207 L CB -0.340 41.785 42.059 0.110 0.000 0.894 1207 L HN 0.227 nan 8.230 nan 0.000 0.432 1208 M N -0.828 118.811 119.600 0.065 0.000 2.530 1208 M HA -0.174 4.310 4.480 0.006 0.000 0.261 1208 M C 2.063 178.382 176.300 0.032 0.000 1.067 1208 M CA 1.458 56.787 55.300 0.048 0.000 1.071 1208 M CB -0.329 32.305 32.600 0.057 0.000 1.405 1208 M HN 0.322 nan 8.290 nan 0.000 0.478 1209 A N -0.387 122.449 122.820 0.027 0.000 1.920 1209 A HA 0.075 4.399 4.320 0.006 0.000 0.209 1209 A C 1.921 179.515 177.584 0.017 0.000 1.229 1209 A CA 0.247 52.295 52.037 0.018 0.000 0.671 1209 A CB -0.338 18.669 19.000 0.012 0.000 0.886 1209 A HN 0.409 nan 8.150 nan 0.000 0.461 1210 M N 0.157 119.767 119.600 0.018 0.000 2.706 1210 M HA -0.035 4.449 4.480 0.006 0.000 0.251 1210 M C 0.193 176.504 176.300 0.018 0.000 1.070 1210 M CA 0.693 56.003 55.300 0.016 0.000 1.073 1210 M CB -0.506 32.104 32.600 0.017 0.000 1.449 1210 M HN 0.580 nan 8.290 nan 0.000 0.531 1211 N N 1.118 119.830 118.700 0.020 0.000 2.862 1211 N HA -0.151 4.593 4.740 0.006 0.000 0.246 1211 N C -1.427 174.094 175.510 0.018 0.000 1.101 1211 N CA 0.300 53.360 53.050 0.018 0.000 0.679 1211 N CB -0.905 37.590 38.487 0.014 0.000 0.986 1211 N HN 0.386 nan 8.380 nan 0.000 0.557 1212 I N 1.707 122.292 120.570 0.023 0.000 2.503 1212 I HA 0.086 4.260 4.170 0.006 0.000 0.282 1212 I C 0.422 176.550 176.117 0.018 0.000 1.059 1212 I CA -0.613 60.700 61.300 0.021 0.000 1.081 1212 I CB 1.713 39.729 38.000 0.027 0.000 1.210 1212 I HN 0.092 nan 8.210 nan 0.000 0.450 1213 T N 3.521 118.079 114.554 0.007 0.000 2.771 1213 T HA 0.263 4.617 4.350 0.006 0.000 0.277 1213 T C -2.282 172.400 174.700 -0.031 0.000 0.919 1213 T CA -1.195 60.902 62.100 -0.005 0.000 1.163 1213 T CB -0.297 68.572 68.868 0.001 0.000 0.876 1213 T HN 0.250 nan 8.240 nan 0.000 0.545 1214 P HA 0.330 nan 4.420 nan 0.000 0.273 1214 P C -0.081 177.094 177.300 -0.208 0.000 1.531 1214 P CA -0.667 62.327 63.100 -0.177 0.000 1.027 1214 P CB 0.484 31.988 31.700 -0.327 0.000 1.387 1215 R N 2.841 123.288 120.500 -0.089 0.000 2.438 1215 R HA 0.436 4.780 4.340 0.006 0.000 0.287 1215 R C -0.019 176.296 176.300 0.025 0.000 1.077 1215 R CA -0.502 55.607 56.100 0.015 0.000 1.034 1215 R CB 0.484 30.882 30.300 0.163 0.000 0.993 1215 R HN 0.475 nan 8.270 nan 0.000 0.459 1216 L N 3.610 124.857 121.223 0.039 0.000 2.362 1216 L HA 0.460 4.804 4.340 0.006 0.000 0.275 1216 L C -0.938 175.966 176.870 0.056 0.000 0.998 1216 L CA -0.715 54.139 54.840 0.024 0.000 0.820 1216 L CB 1.203 43.205 42.059 -0.095 0.000 1.270 1216 L HN 0.392 nan 8.230 nan 0.000 0.415 1217 Y N 0.516 120.754 120.300 -0.103 0.000 2.499 1217 Y HA 0.414 4.968 4.550 0.006 0.000 0.347 1217 Y C 0.924 176.735 175.900 -0.149 0.000 0.987 1217 Y CA -0.637 57.389 58.100 -0.124 0.000 1.044 1217 Y CB 2.577 40.978 38.460 -0.098 0.000 1.245 1217 Y HN 0.534 nan 8.280 nan 0.000 0.461 1218 T N -0.106 114.364 114.554 -0.141 0.000 2.988 1218 T HA 0.005 4.358 4.350 0.006 0.000 0.240 1218 T C -0.431 174.208 174.700 -0.102 0.000 1.014 1218 T CA 0.521 62.497 62.100 -0.207 0.000 1.155 1218 T CB -0.247 68.302 68.868 -0.532 0.000 0.872 1218 T HN 0.766 nan 8.240 nan 0.000 0.440 1219 D N 1.271 121.626 120.400 -0.075 0.000 2.419 1219 D HA 0.057 4.701 4.640 0.006 0.000 0.236 1219 D C 1.183 177.486 176.300 0.005 0.000 1.165 1219 D CA -0.231 53.757 54.000 -0.019 0.000 0.882 1219 D CB 0.890 41.698 40.800 0.012 0.000 1.201 1219 D HN -0.149 nan 8.370 nan 0.000 0.443 1220 R N 1.075 121.575 120.500 -0.000 0.000 2.055 1220 R HA 0.012 4.355 4.340 0.006 0.000 0.226 1220 R C 0.465 176.762 176.300 -0.006 0.000 1.135 1220 R CA 0.642 56.741 56.100 -0.002 0.000 0.959 1220 R CB -0.227 30.073 30.300 -0.001 0.000 0.854 1220 R HN 0.568 nan 8.270 nan 0.000 0.431 1221 S N 0.477 116.173 115.700 -0.006 0.000 2.661 1221 S HA 0.308 4.781 4.470 0.006 0.000 0.266 1221 S C 0.208 174.792 174.600 -0.026 0.000 1.211 1221 S CA -0.614 57.578 58.200 -0.014 0.000 0.990 1221 S CB 0.948 64.143 63.200 -0.008 0.000 1.032 1221 S HN 0.165 nan 8.310 nan 0.000 0.565 1222 R N 1.248 121.725 120.500 -0.037 0.000 2.531 1222 R HA 0.284 4.628 4.340 0.006 0.000 0.273 1222 R C -0.415 175.858 176.300 -0.044 0.000 1.070 1222 R CA -0.657 55.406 56.100 -0.062 0.000 1.112 1222 R CB 0.147 30.409 30.300 -0.065 0.000 1.049 1222 R HN 0.581 nan 8.270 nan 0.000 0.508 1223 D N 0.000 120.362 120.400 -0.063 0.000 6.856 1223 D HA 0.000 4.644 4.640 0.006 0.000 0.175 1223 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 1223 D CB 0.000 40.781 40.800 -0.033 0.000 0.688 1223 D HN 0.000 nan 8.370 nan 0.000 0.683