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 1sfo_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE 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 LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGIcGLM DATA SEQUENCE TVIAKLNHNQ FECKGcDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.291 176.300 -0.015 0.000 2.045 20 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 20 D CB 0.000 40.800 40.800 0.000 0.000 0.688 21 E N -0.507 119.677 120.200 -0.026 0.000 2.433 21 E HA -0.321 4.031 4.350 0.004 0.000 0.231 21 E C 1.067 177.622 176.600 -0.075 0.000 1.133 21 E CA 1.856 58.224 56.400 -0.054 0.000 0.922 21 E CB -0.175 29.490 29.700 -0.059 0.000 0.773 21 E HN 0.147 nan 8.360 nan 0.000 0.460 22 S N 1.157 116.826 115.700 -0.051 0.000 2.327 22 S HA 0.217 4.689 4.470 0.004 0.000 0.213 22 S C 1.112 175.690 174.600 -0.038 0.000 1.032 22 S CA 0.242 58.412 58.200 -0.051 0.000 0.960 22 S CB -0.309 62.871 63.200 -0.033 0.000 0.900 22 S HN 0.630 nan 8.310 nan 0.000 0.469 23 A N 3.527 126.335 122.820 -0.020 0.000 2.655 23 A HA -0.054 4.269 4.320 0.004 0.000 0.225 23 A C -1.997 175.588 177.584 0.002 0.000 1.492 23 A CA 0.107 52.141 52.037 -0.004 0.000 1.445 23 A CB -0.854 18.148 19.000 0.004 0.000 1.103 23 A HN 0.319 nan 8.150 nan 0.000 0.515 24 P HA 0.502 nan 4.420 nan 0.000 0.278 24 P C -0.290 177.020 177.300 0.016 0.000 1.266 24 P CA -0.401 62.708 63.100 0.016 0.000 0.807 24 P CB 0.579 32.299 31.700 0.032 0.000 1.094 25 I N -0.189 120.381 120.570 0.000 0.000 3.110 25 I HA 0.453 4.625 4.170 0.004 0.000 0.314 25 I C 1.004 177.131 176.117 0.017 0.000 1.020 25 I CA -0.231 61.076 61.300 0.012 0.000 1.169 25 I CB 0.710 38.694 38.000 -0.026 0.000 1.437 25 I HN 0.410 nan 8.210 nan 0.000 0.595 26 T N -0.485 114.097 114.554 0.047 0.000 2.956 26 T HA 0.592 4.945 4.350 0.004 0.000 0.312 26 T C 0.399 175.159 174.700 0.099 0.000 1.151 26 T CA -0.228 61.911 62.100 0.064 0.000 1.024 26 T CB 1.665 70.578 68.868 0.076 0.000 1.140 26 T HN 0.780 nan 8.240 nan 0.000 0.473 27 A N 2.685 125.571 122.820 0.110 0.000 1.906 27 A HA -0.287 4.036 4.320 0.004 0.000 0.236 27 A C 2.079 179.782 177.584 0.199 0.000 1.793 27 A CA 2.689 54.824 52.037 0.163 0.000 0.813 27 A CB -1.736 17.379 19.000 0.192 0.000 0.841 27 A HN 1.028 nan 8.150 nan 0.000 0.491 28 E N -0.845 119.489 120.200 0.224 0.000 2.164 28 E HA -0.321 4.032 4.350 0.004 0.000 0.233 28 E C 1.628 178.388 176.600 0.266 0.000 1.073 28 E CA 1.985 58.550 56.400 0.275 0.000 0.941 28 E CB -0.740 29.077 29.700 0.196 0.000 0.820 28 E HN 0.652 nan 8.360 nan 0.000 0.486 29 D N -0.281 120.238 120.400 0.199 0.000 2.347 29 D HA -0.164 4.478 4.640 0.004 0.000 0.208 29 D C 1.912 178.344 176.300 0.219 0.000 0.994 29 D CA 1.523 55.640 54.000 0.195 0.000 0.924 29 D CB -0.247 40.646 40.800 0.156 0.000 0.892 29 D HN 0.238 nan 8.370 nan 0.000 0.471 30 S N -1.183 114.630 115.700 0.188 0.000 2.461 30 S HA -0.114 4.358 4.470 0.004 0.000 0.228 30 S C 1.790 176.384 174.600 -0.010 0.000 1.005 30 S CA 0.001 58.291 58.200 0.150 0.000 0.942 30 S CB -0.694 62.577 63.200 0.119 0.000 0.776 30 S HN 0.379 nan 8.310 nan 0.000 0.514 31 W N 2.224 123.602 121.300 0.129 0.000 2.425 31 W HA 0.202 4.864 4.660 0.004 0.000 0.277 31 W C 2.740 179.361 176.519 0.170 0.000 1.231 31 W CA 0.513 57.934 57.345 0.126 0.000 1.248 31 W CB -0.283 29.236 29.460 0.099 0.000 1.117 31 W HN 0.406 nan 8.180 nan 0.000 0.568 32 A N -0.198 122.827 122.820 0.342 0.000 1.873 32 A HA -0.164 4.158 4.320 0.004 0.000 0.215 32 A C 1.996 179.721 177.584 0.236 0.000 1.186 32 A CA 1.970 54.179 52.037 0.287 0.000 0.616 32 A CB -1.147 18.005 19.000 0.253 0.000 0.823 32 A HN 0.047 nan 8.150 nan 0.000 0.442 33 V N 0.498 120.533 119.914 0.201 0.000 2.282 33 V HA -0.296 3.827 4.120 0.004 0.000 0.249 33 V C 2.439 178.581 176.094 0.081 0.000 1.057 33 V CA 2.050 64.454 62.300 0.172 0.000 1.032 33 V CB -0.837 31.052 31.823 0.110 0.000 0.645 33 V HN 0.513 nan 8.190 nan 0.000 0.447 34 I N 0.481 121.022 120.570 -0.047 0.000 2.091 34 I HA -0.228 3.945 4.170 0.004 0.000 0.239 34 I C 2.633 178.675 176.117 -0.126 0.000 1.061 34 I CA 1.621 62.793 61.300 -0.214 0.000 1.317 34 I CB -1.644 36.277 38.000 -0.132 0.000 1.031 34 I HN 0.249 nan 8.210 nan 0.000 0.401 35 S N 1.129 116.889 115.700 0.100 0.000 2.393 35 S HA -0.351 4.121 4.470 0.004 0.000 0.235 35 S C 2.231 176.903 174.600 0.119 0.000 1.061 35 S CA 2.027 60.343 58.200 0.194 0.000 1.129 35 S CB -1.042 62.369 63.200 0.352 0.000 1.011 35 S HN 0.605 nan 8.310 nan 0.000 0.436 36 A N 1.557 124.466 122.820 0.147 0.000 1.896 36 A HA -0.118 4.204 4.320 0.004 0.000 0.220 36 A C 1.326 178.957 177.584 0.078 0.000 1.206 36 A CA 1.738 53.879 52.037 0.174 0.000 0.647 36 A CB -1.044 18.123 19.000 0.279 0.000 0.828 36 A HN 0.449 nan 8.150 nan 0.000 0.455 37 F N -1.997 117.733 119.950 -0.367 0.000 2.080 37 F HA 0.241 4.770 4.527 0.004 0.000 0.258 37 F C 1.397 176.888 175.800 -0.514 0.000 1.131 37 F CA 0.789 58.173 58.000 -1.026 0.000 1.242 37 F CB -0.315 37.699 39.000 -1.642 0.000 1.701 37 F HN 0.372 nan 8.300 nan 0.000 0.494 38 F N -1.033 118.395 119.950 -0.869 0.000 2.634 38 F HA -0.502 4.027 4.527 0.004 0.000 0.601 38 F C 2.301 177.935 175.800 -0.276 0.000 0.493 38 F CA 1.532 59.245 58.000 -0.477 0.000 0.648 38 F CB -0.949 37.840 39.000 -0.351 0.000 1.582 38 F HN 0.375 nan 8.300 nan 0.000 0.251 39 R N 0.143 120.650 120.500 0.012 0.000 2.062 39 R HA -0.139 4.204 4.340 0.004 0.000 0.231 39 R C 1.825 178.100 176.300 -0.043 0.000 1.136 39 R CA 1.771 57.888 56.100 0.028 0.000 0.948 39 R CB -0.608 29.728 30.300 0.060 0.000 0.845 39 R HN 0.510 nan 8.270 nan 0.000 0.430 40 E N 0.689 120.826 120.200 -0.105 0.000 2.150 40 E HA -0.141 4.211 4.350 0.004 0.000 0.193 40 E C 1.144 177.622 176.600 -0.202 0.000 0.985 40 E CA 1.118 57.448 56.400 -0.117 0.000 0.814 40 E CB 0.295 29.969 29.700 -0.045 0.000 0.752 40 E HN 0.303 nan 8.360 nan 0.000 0.466 41 K N -1.117 119.050 120.400 -0.388 0.000 2.450 41 K HA 0.222 4.545 4.320 0.004 0.000 0.206 41 K C 0.770 177.246 176.600 -0.205 0.000 1.148 41 K CA 0.353 56.435 56.287 -0.343 0.000 1.014 41 K CB 1.527 33.694 32.500 -0.555 0.000 0.966 41 K HN 0.140 nan 8.250 nan 0.000 0.566 42 G N 2.299 111.029 108.800 -0.117 0.000 2.692 42 G HA2 -0.305 3.658 3.960 0.004 0.000 0.248 42 G HA3 -0.305 3.658 3.960 0.004 0.000 0.248 42 G C 0.329 175.243 174.900 0.024 0.000 1.340 42 G CA -0.247 44.844 45.100 -0.014 0.000 0.896 42 G HN 0.160 nan 8.290 nan 0.000 0.570 43 L N 0.216 121.436 121.223 -0.004 0.000 2.591 43 L HA 0.214 4.556 4.340 0.004 0.000 0.228 43 L C 2.055 178.914 176.870 -0.017 0.000 1.133 43 L CA 0.915 55.755 54.840 0.001 0.000 0.880 43 L CB -0.148 41.878 42.059 -0.054 0.000 1.033 43 L HN 0.734 nan 8.230 nan 0.000 0.450 44 V N -6.683 113.211 119.914 -0.033 0.000 3.382 44 V HA 0.119 4.242 4.120 0.004 0.000 0.296 44 V C 1.973 178.036 176.094 -0.051 0.000 1.529 44 V CA 0.372 62.644 62.300 -0.047 0.000 1.048 44 V CB 0.242 32.034 31.823 -0.051 0.000 0.878 44 V HN 0.305 nan 8.190 nan 0.000 0.442 45 S N 3.179 118.845 115.700 -0.058 0.000 2.445 45 S HA -0.555 3.917 4.470 0.004 0.000 0.293 45 S C 1.978 176.558 174.600 -0.035 0.000 1.163 45 S CA 3.110 61.275 58.200 -0.058 0.000 1.287 45 S CB -1.499 61.643 63.200 -0.097 0.000 1.234 45 S HN 0.995 nan 8.310 nan 0.000 0.446 46 Q N 1.044 120.819 119.800 -0.041 0.000 2.129 46 Q HA -0.360 3.982 4.340 0.004 0.000 0.218 46 Q C 2.224 178.215 176.000 -0.015 0.000 1.040 46 Q CA 2.137 57.922 55.803 -0.029 0.000 0.913 46 Q CB -0.825 27.884 28.738 -0.049 0.000 1.030 46 Q HN 0.664 nan 8.270 nan 0.000 0.419 47 Q N 0.520 120.300 119.800 -0.034 0.000 2.050 47 Q HA -0.060 4.283 4.340 0.004 0.000 0.202 47 Q C 2.423 178.429 176.000 0.011 0.000 0.980 47 Q CA 1.676 57.459 55.803 -0.034 0.000 0.840 47 Q CB -0.231 28.453 28.738 -0.091 0.000 0.898 47 Q HN 0.528 nan 8.270 nan 0.000 0.424 48 L N 0.534 121.755 121.223 -0.004 0.000 1.948 48 L HA -0.212 4.130 4.340 0.004 0.000 0.212 48 L C 2.084 179.004 176.870 0.084 0.000 1.074 48 L CA 1.453 56.315 54.840 0.037 0.000 0.753 48 L CB -0.808 41.250 42.059 -0.002 0.000 0.888 48 L HN 0.111 nan 8.230 nan 0.000 0.432 49 D N -0.291 120.134 120.400 0.043 0.000 2.191 49 D HA -0.276 4.366 4.640 0.004 0.000 0.190 49 D C 2.332 178.666 176.300 0.058 0.000 1.007 49 D CA 1.957 55.983 54.000 0.043 0.000 0.865 49 D CB -0.156 40.671 40.800 0.044 0.000 0.929 49 D HN 0.215 nan 8.370 nan 0.000 0.447 50 S N -1.429 114.316 115.700 0.074 0.000 2.348 50 S HA -0.190 4.282 4.470 0.004 0.000 0.221 50 S C 1.807 176.493 174.600 0.144 0.000 1.033 50 S CA 0.906 59.157 58.200 0.085 0.000 1.010 50 S CB -0.605 62.636 63.200 0.068 0.000 0.891 50 S HN 0.290 nan 8.310 nan 0.000 0.442 51 F N 3.666 123.647 119.950 0.051 0.000 2.025 51 F HA -0.198 4.332 4.527 0.004 0.000 0.297 51 F C 2.217 178.102 175.800 0.143 0.000 1.132 51 F CA 2.354 60.432 58.000 0.129 0.000 1.191 51 F CB -0.982 38.095 39.000 0.127 0.000 0.963 51 F HN 0.294 nan 8.300 nan 0.000 0.481 52 N N 0.263 119.075 118.700 0.187 0.000 2.073 52 N HA -0.319 4.423 4.740 0.004 0.000 0.199 52 N C 1.644 177.097 175.510 -0.095 0.000 1.023 52 N CA 1.889 54.956 53.050 0.028 0.000 0.880 52 N CB -1.100 37.406 38.487 0.032 0.000 1.052 52 N HN 0.417 nan 8.380 nan 0.000 0.449 53 Q N 0.062 119.807 119.800 -0.093 0.000 2.452 53 Q HA 0.019 4.362 4.340 0.004 0.000 0.214 53 Q C 0.801 176.790 176.000 -0.019 0.000 0.966 53 Q CA 0.264 55.963 55.803 -0.172 0.000 0.964 53 Q CB -0.299 28.338 28.738 -0.169 0.000 0.992 53 Q HN 0.330 nan 8.270 nan 0.000 0.517 54 F N -1.739 118.078 119.950 -0.222 0.000 2.429 54 F HA 0.142 4.672 4.527 0.004 0.000 0.245 54 F C 1.636 177.295 175.800 -0.235 0.000 1.048 54 F CA 0.467 58.329 58.000 -0.229 0.000 1.013 54 F CB -0.756 38.006 39.000 -0.397 0.000 1.141 54 F HN -0.106 nan 8.300 nan 0.000 0.653 55 V N 1.794 121.368 119.914 -0.568 0.000 2.258 55 V HA -0.468 3.654 4.120 0.004 0.000 0.252 55 V C 2.207 178.128 176.094 -0.289 0.000 1.039 55 V CA 2.678 64.629 62.300 -0.582 0.000 1.060 55 V CB -0.990 30.578 31.823 -0.425 0.000 0.690 55 V HN 0.494 nan 8.190 nan 0.000 0.482 56 D N -2.072 118.248 120.400 -0.133 0.000 2.268 56 D HA -0.215 4.428 4.640 0.004 0.000 0.189 56 D C 1.664 178.191 176.300 0.378 0.000 1.010 56 D CA 2.584 56.632 54.000 0.080 0.000 0.862 56 D CB -0.195 40.602 40.800 -0.005 0.000 0.943 56 D HN 0.644 nan 8.370 nan 0.000 0.451 57 Y N -1.191 119.026 120.300 -0.137 0.000 2.972 57 Y HA 0.177 4.730 4.550 0.004 0.000 0.211 57 Y C 2.575 178.396 175.900 -0.132 0.000 0.969 57 Y CA 0.530 58.563 58.100 -0.112 0.000 1.574 57 Y CB -1.049 37.379 38.460 -0.053 0.000 1.364 57 Y HN -0.156 nan 8.280 nan 0.000 0.467 58 T N 2.731 117.359 114.554 0.124 0.000 2.578 58 T HA -0.336 4.017 4.350 0.004 0.000 0.252 58 T C 1.916 176.590 174.700 -0.044 0.000 1.192 58 T CA 2.513 64.671 62.100 0.097 0.000 1.143 58 T CB -1.082 67.973 68.868 0.311 0.000 0.848 58 T HN 0.226 nan 8.240 nan 0.000 0.450 59 L N 1.390 122.389 121.223 -0.374 0.000 1.976 59 L HA -0.237 4.105 4.340 0.004 0.000 0.223 59 L C 2.588 179.297 176.870 -0.267 0.000 1.081 59 L CA 2.587 57.108 54.840 -0.531 0.000 0.784 59 L CB -1.235 40.243 42.059 -0.969 0.000 0.896 59 L HN 0.312 nan 8.230 nan 0.000 0.438 60 Q N -0.398 119.250 119.800 -0.255 0.000 2.217 60 Q HA -0.252 4.090 4.340 0.004 0.000 0.209 60 Q C 1.539 177.464 176.000 -0.125 0.000 0.988 60 Q CA 2.370 58.057 55.803 -0.192 0.000 0.878 60 Q CB -0.482 28.148 28.738 -0.181 0.000 0.909 60 Q HN 0.739 nan 8.270 nan 0.000 0.424 61 D N -0.882 119.474 120.400 -0.074 0.000 2.347 61 D HA -0.041 4.601 4.640 0.004 0.000 0.215 61 D C 1.179 177.480 176.300 0.000 0.000 0.976 61 D CA 0.378 54.364 54.000 -0.023 0.000 0.884 61 D CB 0.077 40.886 40.800 0.014 0.000 0.915 61 D HN 0.316 nan 8.370 nan 0.000 0.526 62 I N 0.209 120.770 120.570 -0.014 0.000 2.703 62 I HA 0.019 4.192 4.170 0.004 0.000 0.259 62 I C 2.179 178.275 176.117 -0.035 0.000 1.151 62 I CA 0.343 61.658 61.300 0.026 0.000 1.470 62 I CB -0.448 37.609 38.000 0.096 0.000 1.112 62 I HN 0.008 nan 8.210 nan 0.000 0.437 63 I N 0.206 120.619 120.570 -0.263 0.000 2.676 63 I HA -0.180 3.993 4.170 0.004 0.000 0.259 63 I C 0.628 176.756 176.117 0.018 0.000 1.194 63 I CA 0.526 61.520 61.300 -0.510 0.000 1.473 63 I CB 0.266 37.834 38.000 -0.720 0.000 1.096 63 I HN 0.172 nan 8.210 nan 0.000 0.443 64 C N 1.291 120.619 119.300 0.047 0.000 2.319 64 C HA 0.472 4.935 4.460 0.004 0.000 0.335 64 C C 0.780 175.844 174.990 0.123 0.000 1.274 64 C CA -0.236 58.853 59.018 0.117 0.000 1.806 64 C CB 0.305 28.080 27.740 0.059 0.000 2.329 64 C HN 0.584 nan 8.230 nan 0.000 0.524 65 E N 2.041 122.333 120.200 0.154 0.000 0.758 65 E HA -0.114 4.239 4.350 0.004 0.000 0.145 65 E C -0.650 176.029 176.600 0.132 0.000 2.469 65 E CA 0.132 56.607 56.400 0.125 0.000 1.548 65 E CB -0.996 28.777 29.700 0.122 0.000 0.638 65 E HN 0.590 nan 8.360 nan 0.000 0.923 66 D N 1.804 122.281 120.400 0.128 0.000 2.336 66 D HA 0.023 4.666 4.640 0.004 0.000 0.228 66 D C 1.356 177.750 176.300 0.158 0.000 1.120 66 D CA 0.917 54.990 54.000 0.121 0.000 0.839 66 D CB 0.499 41.350 40.800 0.085 0.000 0.932 66 D HN 0.274 nan 8.370 nan 0.000 0.509 67 S N -0.194 115.634 115.700 0.214 0.000 2.383 67 S HA -0.138 4.335 4.470 0.004 0.000 0.229 67 S C 1.254 176.106 174.600 0.420 0.000 1.030 67 S CA 0.761 59.171 58.200 0.350 0.000 1.002 67 S CB -0.853 62.645 63.200 0.495 0.000 0.829 67 S HN 0.218 nan 8.310 nan 0.000 0.467 68 T N 2.378 117.086 114.554 0.258 0.000 2.919 68 T HA 0.522 4.874 4.350 0.004 0.000 0.302 68 T C -0.416 174.337 174.700 0.089 0.000 1.031 68 T CA -0.156 62.030 62.100 0.144 0.000 1.127 68 T CB 0.071 68.997 68.868 0.096 0.000 0.952 68 T HN 0.309 nan 8.240 nan 0.000 0.540 69 L N 4.046 125.254 121.223 -0.026 0.000 2.301 69 L HA 0.612 4.954 4.340 0.004 0.000 0.264 69 L C -0.116 176.633 176.870 -0.202 0.000 1.016 69 L CA -1.354 53.402 54.840 -0.140 0.000 0.821 69 L CB 1.547 43.478 42.059 -0.213 0.000 1.346 69 L HN 0.402 nan 8.230 nan 0.000 0.429 91 S N 5.131 120.619 115.700 -0.354 0.000 2.721 91 S HA 0.681 5.153 4.470 0.004 0.000 0.264 91 S C -0.591 173.875 174.600 -0.224 0.000 1.161 91 S CA -0.595 57.451 58.200 -0.256 0.000 1.113 91 S CB 0.394 63.544 63.200 -0.083 0.000 1.079 91 S HN 0.258 nan 8.310 nan 0.000 0.479 92 F N 2.468 122.475 119.950 0.096 0.000 2.527 92 F HA 0.679 5.209 4.527 0.004 0.000 0.316 92 F C 1.614 177.453 175.800 0.065 0.000 1.258 92 F CA 0.949 59.013 58.000 0.106 0.000 1.314 92 F CB 0.086 39.188 39.000 0.169 0.000 1.200 92 F HN 0.958 nan 8.300 nan 0.000 0.577 93 G N -0.999 107.943 108.800 0.237 0.000 2.490 93 G HA2 0.257 4.220 3.960 0.004 0.000 0.308 93 G HA3 0.257 4.220 3.960 0.004 0.000 0.308 93 G C -1.347 173.581 174.900 0.047 0.000 1.286 93 G CA -1.182 43.980 45.100 0.104 0.000 0.825 93 G HN 0.410 nan 8.290 nan 0.000 0.479 94 K N 0.089 120.454 120.400 -0.059 0.000 2.408 94 K HA -0.180 4.143 4.320 0.004 0.000 0.247 94 K C -0.098 176.398 176.600 -0.173 0.000 1.048 94 K CA 0.579 56.724 56.287 -0.237 0.000 1.139 94 K CB -0.127 32.078 32.500 -0.492 0.000 0.732 94 K HN 0.463 nan 8.250 nan 0.000 0.474 95 I N 3.480 123.913 120.570 -0.228 0.000 2.664 95 I HA 0.285 4.458 4.170 0.004 0.000 0.308 95 I C -0.870 175.136 176.117 -0.184 0.000 0.984 95 I CA -0.791 60.450 61.300 -0.099 0.000 1.213 95 I CB 0.748 38.641 38.000 -0.178 0.000 1.379 95 I HN 0.436 nan 8.210 nan 0.000 0.501 96 Y N 4.293 124.622 120.300 0.049 0.000 2.477 96 Y HA 0.602 5.155 4.550 0.004 0.000 0.347 96 Y C -0.819 175.130 175.900 0.081 0.000 0.981 96 Y CA -0.704 57.442 58.100 0.076 0.000 1.033 96 Y CB 2.234 40.776 38.460 0.136 0.000 1.245 96 Y HN 0.161 nan 8.280 nan 0.000 0.455 97 V N 1.449 121.479 119.914 0.193 0.000 2.638 97 V HA 0.469 4.591 4.120 0.004 0.000 0.306 97 V C -0.498 175.653 176.094 0.094 0.000 1.052 97 V CA -1.130 61.225 62.300 0.091 0.000 0.885 97 V CB 1.669 33.464 31.823 -0.046 0.000 0.999 97 V HN 0.825 nan 8.190 nan 0.000 0.424 98 T N 2.233 116.845 114.554 0.096 0.000 2.909 98 T HA 0.381 4.734 4.350 0.004 0.000 0.289 98 T C -0.037 174.638 174.700 -0.042 0.000 1.005 98 T CA -0.819 61.324 62.100 0.072 0.000 1.084 98 T CB 0.895 69.845 68.868 0.137 0.000 0.975 98 T HN 0.547 nan 8.240 nan 0.000 0.509 99 K N 2.567 122.934 120.400 -0.055 0.000 2.382 99 K HA 0.158 4.480 4.320 0.004 0.000 0.275 99 K C -2.461 174.019 176.600 -0.200 0.000 1.009 99 K CA -1.606 54.528 56.287 -0.255 0.000 0.970 99 K CB 0.092 32.512 32.500 -0.133 0.000 0.934 99 K HN 0.371 nan 8.250 nan 0.000 0.479 100 P HA -0.129 nan 4.420 nan 0.000 0.261 100 P C -0.518 176.753 177.300 -0.048 0.000 1.158 100 P CA 1.061 63.973 63.100 -0.313 0.000 0.758 100 P CB 0.390 31.634 31.700 -0.760 0.000 0.763 101 M N 1.837 121.430 119.600 -0.013 0.000 2.777 101 M HA 0.670 5.153 4.480 0.004 0.000 0.288 101 M C -0.885 175.453 176.300 0.065 0.000 1.181 101 M CA -1.018 54.312 55.300 0.051 0.000 0.758 101 M CB 2.060 34.704 32.600 0.074 0.000 1.757 101 M HN -0.088 nan 8.290 nan 0.000 0.453 102 V N 0.626 120.595 119.914 0.092 0.000 2.882 102 V HA 0.308 4.431 4.120 0.004 0.000 0.295 102 V C -1.594 174.559 176.094 0.098 0.000 1.273 102 V CA -0.877 61.481 62.300 0.097 0.000 0.949 102 V CB 1.885 33.780 31.823 0.120 0.000 1.071 102 V HN 0.819 nan 8.190 nan 0.000 0.432 103 N N 3.468 122.217 118.700 0.081 0.000 2.699 103 N HA 0.301 5.044 4.740 0.004 0.000 0.232 103 N C -0.110 175.433 175.510 0.056 0.000 1.027 103 N CA -0.464 52.627 53.050 0.068 0.000 0.920 103 N CB 0.780 39.301 38.487 0.056 0.000 1.148 103 N HN 0.792 nan 8.380 nan 0.000 0.509 104 E N 0.646 120.881 120.200 0.058 0.000 2.384 104 E HA 0.072 4.425 4.350 0.004 0.000 0.266 104 E C 0.077 176.696 176.600 0.032 0.000 1.012 104 E CA -0.295 56.128 56.400 0.037 0.000 0.901 104 E CB 0.382 30.102 29.700 0.033 0.000 0.967 104 E HN 0.553 nan 8.360 nan 0.000 0.435 105 S N 2.098 117.811 115.700 0.021 0.000 2.542 105 S HA -0.151 4.322 4.470 0.004 0.000 0.287 105 S C 0.299 174.913 174.600 0.023 0.000 1.315 105 S CA 0.211 58.423 58.200 0.021 0.000 1.037 105 S CB 0.154 63.363 63.200 0.014 0.000 0.822 105 S HN 0.710 nan 8.310 nan 0.000 0.513 106 D N 0.308 120.722 120.400 0.024 0.000 2.904 106 D HA 0.034 4.676 4.640 0.004 0.000 0.231 106 D C 0.062 176.378 176.300 0.027 0.000 1.185 106 D CA 2.116 56.130 54.000 0.024 0.000 0.783 106 D CB -1.294 39.520 40.800 0.023 0.000 0.961 106 D HN 1.243 nan 8.370 nan 0.000 0.409 107 G N -1.639 107.179 108.800 0.029 0.000 2.328 107 G HA2 0.418 4.381 3.960 0.004 0.000 0.295 107 G HA3 0.418 4.381 3.960 0.004 0.000 0.295 107 G C -0.028 174.897 174.900 0.040 0.000 1.413 107 G CA -0.318 44.804 45.100 0.036 0.000 0.817 107 G HN 0.369 nan 8.290 nan 0.000 0.546 108 V N -0.600 119.344 119.914 0.050 0.000 4.012 108 V HA 0.397 4.520 4.120 0.004 0.000 0.284 108 V C 1.151 177.281 176.094 0.060 0.000 1.020 108 V CA 0.458 62.787 62.300 0.049 0.000 1.039 108 V CB 0.936 32.796 31.823 0.062 0.000 1.203 108 V HN 0.800 nan 8.190 nan 0.000 0.456 109 T N -0.447 114.138 114.554 0.050 0.000 2.833 109 T HA 0.384 4.736 4.350 0.004 0.000 0.297 109 T C -0.553 174.170 174.700 0.039 0.000 1.015 109 T CA -0.174 61.960 62.100 0.056 0.000 0.963 109 T CB 0.061 68.953 68.868 0.040 0.000 0.955 109 T HN 0.713 nan 8.240 nan 0.000 0.449 110 H N 2.168 121.268 119.070 0.050 0.000 2.597 110 H HA 0.640 5.199 4.556 0.005 0.000 0.370 110 H C 0.240 175.605 175.328 0.062 0.000 1.281 110 H CA -0.013 56.069 56.048 0.057 0.000 1.422 110 H CB 0.743 30.544 29.762 0.066 0.000 1.524 110 H HN 0.693 nan 8.280 nan 0.000 0.607 111 A N 3.058 125.507 122.820 -0.619 0.000 2.269 111 A HA 0.359 4.681 4.320 0.004 0.000 0.302 111 A C -1.005 176.604 177.584 0.042 0.000 1.266 111 A CA -0.527 51.374 52.037 -0.226 0.000 0.894 111 A CB -0.198 18.628 19.000 -0.289 0.000 1.147 111 A HN 0.478 nan 8.150 nan 0.000 0.537 112 L N 3.230 124.492 121.223 0.066 0.000 2.305 112 L HA 0.435 4.778 4.340 0.004 0.000 0.281 112 L C -1.062 175.865 176.870 0.096 0.000 1.085 112 L CA -0.085 54.853 54.840 0.164 0.000 0.813 112 L CB 0.099 42.267 42.059 0.180 0.000 1.157 112 L HN 0.596 nan 8.230 nan 0.000 0.436 113 Y N 7.425 127.948 120.300 0.371 0.000 2.334 113 Y HA 0.331 4.883 4.550 0.004 0.000 0.336 113 Y C -1.368 174.655 175.900 0.206 0.000 0.960 113 Y CA -1.447 56.844 58.100 0.319 0.000 1.164 113 Y CB 1.220 39.770 38.460 0.150 0.000 1.155 113 Y HN 0.602 nan 8.280 nan 0.000 0.478 114 P HA -0.370 nan 4.420 nan 0.000 0.212 114 P C 1.410 178.737 177.300 0.045 0.000 1.128 114 P CA 1.780 64.796 63.100 -0.141 0.000 0.961 114 P CB 0.428 31.883 31.700 -0.408 0.000 0.782 115 Q N 0.213 120.057 119.800 0.074 0.000 2.118 115 Q HA -0.256 4.086 4.340 0.004 0.000 0.211 115 Q C 2.321 178.386 176.000 0.108 0.000 0.998 115 Q CA 2.563 58.415 55.803 0.081 0.000 0.872 115 Q CB -1.160 27.616 28.738 0.063 0.000 0.925 115 Q HN 0.461 nan 8.270 nan 0.000 0.414 116 E N -1.343 118.948 120.200 0.151 0.000 2.097 116 E HA -0.247 4.105 4.350 0.004 0.000 0.196 116 E C 1.652 178.332 176.600 0.132 0.000 1.000 116 E CA 1.390 57.876 56.400 0.143 0.000 0.804 116 E CB -0.314 29.494 29.700 0.179 0.000 0.740 116 E HN 0.450 nan 8.360 nan 0.000 0.454 117 A N 0.766 123.677 122.820 0.153 0.000 1.968 117 A HA -0.063 4.260 4.320 0.004 0.000 0.217 117 A C 2.132 179.791 177.584 0.124 0.000 1.169 117 A CA 1.019 53.139 52.037 0.139 0.000 0.638 117 A CB -0.331 18.779 19.000 0.184 0.000 0.812 117 A HN 0.167 nan 8.150 nan 0.000 0.446 118 R N -0.962 119.610 120.500 0.119 0.000 2.159 118 R HA -0.078 4.265 4.340 0.004 0.000 0.237 118 R C 1.684 178.063 176.300 0.132 0.000 1.131 118 R CA 1.278 57.450 56.100 0.120 0.000 0.982 118 R CB -0.345 30.020 30.300 0.107 0.000 0.868 118 R HN 0.480 nan 8.270 nan 0.000 0.453 119 L N -0.018 121.285 121.223 0.132 0.000 2.145 119 L HA -0.051 4.291 4.340 0.004 0.000 0.201 119 L C 1.583 178.591 176.870 0.229 0.000 1.075 119 L CA 1.257 56.193 54.840 0.160 0.000 0.773 119 L CB 0.049 42.184 42.059 0.127 0.000 0.936 119 L HN 0.034 nan 8.230 nan 0.000 0.451 120 R N -0.127 120.453 120.500 0.134 0.000 2.586 120 R HA 0.264 4.607 4.340 0.004 0.000 0.306 120 R C -0.255 175.934 176.300 -0.184 0.000 1.079 120 R CA -0.085 56.007 56.100 -0.013 0.000 1.083 120 R CB -0.693 29.541 30.300 -0.109 0.000 1.306 120 R HN 0.308 nan 8.270 nan 0.000 0.567 121 N N 1.298 120.024 118.700 0.044 0.000 2.721 121 N HA -0.178 4.565 4.740 0.004 0.000 0.249 121 N C -0.546 174.966 175.510 0.003 0.000 1.072 121 N CA 0.181 53.262 53.050 0.052 0.000 0.710 121 N CB -0.989 37.570 38.487 0.121 0.000 0.993 121 N HN 0.318 nan 8.380 nan 0.000 0.547 122 L N -0.275 120.960 121.223 0.021 0.000 2.431 122 L HA 0.456 4.799 4.340 0.004 0.000 0.260 122 L C 0.891 177.818 176.870 0.096 0.000 1.098 122 L CA -0.459 54.406 54.840 0.041 0.000 0.800 122 L CB 1.041 43.134 42.059 0.056 0.000 1.210 122 L HN -0.090 nan 8.230 nan 0.000 0.465 123 T N -0.146 114.469 114.554 0.102 0.000 2.821 123 T HA 0.166 4.518 4.350 0.004 0.000 0.307 123 T C -0.511 174.289 174.700 0.166 0.000 1.034 123 T CA -0.212 61.967 62.100 0.131 0.000 0.953 123 T CB -0.063 68.858 68.868 0.089 0.000 0.968 123 T HN 0.271 nan 8.240 nan 0.000 0.462 124 Y N 5.004 125.347 120.300 0.071 0.000 2.691 124 Y HA 0.271 4.823 4.550 0.004 0.000 0.359 124 Y C 0.571 176.502 175.900 0.052 0.000 1.292 124 Y CA -0.164 57.970 58.100 0.057 0.000 1.822 124 Y CB -0.651 37.836 38.460 0.045 0.000 1.481 124 Y HN 0.580 nan 8.280 nan 0.000 0.461 125 S N 2.898 118.521 115.700 -0.129 0.000 2.541 125 S HA 0.804 5.277 4.470 0.004 0.000 0.271 125 S C -0.653 173.837 174.600 -0.183 0.000 1.133 125 S CA -0.462 57.656 58.200 -0.137 0.000 0.876 125 S CB 1.294 64.471 63.200 -0.038 0.000 1.105 125 S HN 0.591 nan 8.310 nan 0.000 0.470 126 S N 1.445 117.038 115.700 -0.178 0.000 2.747 126 S HA 0.844 5.316 4.470 0.004 0.000 0.300 126 S C 0.559 175.094 174.600 -0.109 0.000 1.121 126 S CA -0.584 57.532 58.200 -0.141 0.000 0.995 126 S CB 0.602 63.706 63.200 -0.161 0.000 1.113 126 S HN 1.475 nan 8.310 nan 0.000 0.547 127 G N 0.339 109.113 108.800 -0.043 0.000 2.343 127 G HA2 0.445 4.407 3.960 0.004 0.000 0.254 127 G HA3 0.445 4.407 3.960 0.004 0.000 0.254 127 G C -0.862 173.879 174.900 -0.265 0.000 1.277 127 G CA -0.382 44.668 45.100 -0.083 0.000 0.909 127 G HN 0.462 nan 8.290 nan 0.000 0.502 128 L N 3.398 124.269 121.223 -0.585 0.000 2.270 128 L HA 0.461 4.804 4.340 0.004 0.000 0.286 128 L C -0.618 175.852 176.870 -0.667 0.000 1.059 128 L CA -0.754 53.752 54.840 -0.556 0.000 0.839 128 L CB -0.113 41.637 42.059 -0.515 0.000 1.221 128 L HN 0.369 nan 8.230 nan 0.000 0.431 129 F N 2.988 122.988 119.950 0.083 0.000 2.467 129 F HA 0.544 5.073 4.527 0.004 0.000 0.336 129 F C 0.237 176.156 175.800 0.198 0.000 1.123 129 F CA -0.846 57.260 58.000 0.178 0.000 0.964 129 F CB 1.903 41.017 39.000 0.190 0.000 1.136 129 F HN 0.008 nan 8.300 nan 0.000 0.447 130 V N 2.217 122.365 119.914 0.389 0.000 2.667 130 V HA 0.208 4.330 4.120 0.004 0.000 0.308 130 V C -0.701 175.614 176.094 0.367 0.000 1.048 130 V CA -0.537 61.962 62.300 0.331 0.000 0.928 130 V CB 2.123 34.138 31.823 0.320 0.000 1.004 130 V HN 0.702 nan 8.190 nan 0.000 0.444 131 D N 2.424 123.020 120.400 0.326 0.000 3.179 131 D HA 0.232 4.875 4.640 0.004 0.000 0.267 131 D C -0.044 176.360 176.300 0.173 0.000 1.348 131 D CA -0.147 54.011 54.000 0.264 0.000 0.897 131 D CB 0.270 41.255 40.800 0.308 0.000 1.062 131 D HN 0.299 nan 8.370 nan 0.000 0.494 132 V N 2.513 122.523 119.914 0.161 0.000 2.655 132 V HA -0.155 3.967 4.120 0.004 0.000 0.273 132 V C 0.945 176.996 176.094 -0.072 0.000 0.957 132 V CA 0.529 62.829 62.300 -0.001 0.000 1.167 132 V CB -0.782 31.047 31.823 0.011 0.000 0.923 132 V HN 0.251 nan 8.190 nan 0.000 0.462 133 K N 5.081 125.417 120.400 -0.107 0.000 2.219 133 K HA 0.272 4.595 4.320 0.004 0.000 0.258 133 K C 0.593 177.133 176.600 -0.101 0.000 1.008 133 K CA -0.629 55.610 56.287 -0.081 0.000 0.928 133 K CB 0.717 33.183 32.500 -0.057 0.000 0.983 133 K HN 0.552 nan 8.250 nan 0.000 0.484 165 V N 2.637 122.701 119.914 0.250 0.000 2.709 165 V HA 0.474 4.597 4.120 0.004 0.000 0.308 165 V C -1.056 175.416 176.094 0.630 0.000 1.062 165 V CA -0.819 61.705 62.300 0.374 0.000 0.901 165 V CB 1.782 33.765 31.823 0.268 0.000 1.003 165 V HN 0.253 nan 8.190 nan 0.000 0.425 166 F N 5.952 126.147 119.950 0.408 0.000 2.450 166 F HA 0.783 5.312 4.527 0.004 0.000 0.332 166 F C -0.994 174.820 175.800 0.023 0.000 1.093 166 F CA -0.879 57.181 58.000 0.099 0.000 1.003 166 F CB 1.204 40.074 39.000 -0.216 0.000 1.151 166 F HN 0.280 nan 8.300 nan 0.000 0.474 167 I N 5.255 125.725 120.570 -0.168 0.000 2.499 167 I HA 0.368 4.541 4.170 0.004 0.000 0.288 167 I C 0.715 176.301 176.117 -0.885 0.000 1.048 167 I CA -0.427 60.698 61.300 -0.292 0.000 1.062 167 I CB 0.612 38.576 38.000 -0.060 0.000 1.238 167 I HN 0.964 nan 8.210 nan 0.000 0.426 168 G N 6.801 115.021 108.800 -0.968 0.000 2.523 168 G HA2 -0.261 3.702 3.960 0.004 0.000 0.734 168 G HA3 -0.261 3.702 3.960 0.004 0.000 0.734 168 G C -0.037 174.377 174.900 -0.809 0.000 1.344 168 G CA -0.064 44.533 45.100 -0.839 0.000 0.902 168 G HN 0.746 nan 8.290 nan 0.000 0.527 169 R N -1.848 118.415 120.500 -0.394 0.000 2.837 169 R HA 0.649 4.992 4.340 0.004 0.000 0.271 169 R C -1.277 174.912 176.300 -0.185 0.000 0.993 169 R CA -0.992 54.952 56.100 -0.260 0.000 0.931 169 R CB 1.884 32.103 30.300 -0.135 0.000 1.206 169 R HN 0.500 nan 8.270 nan 0.000 0.474 170 L N 3.479 124.605 121.223 -0.162 0.000 2.427 170 L HA 0.435 4.778 4.340 0.004 0.000 0.264 170 L C -2.491 174.356 176.870 -0.039 0.000 0.989 170 L CA -2.068 52.700 54.840 -0.119 0.000 0.865 170 L CB 1.476 43.429 42.059 -0.177 0.000 1.209 170 L HN 0.419 nan 8.230 nan 0.000 0.430 171 P HA -0.108 nan 4.420 nan 0.000 0.260 171 P C -0.654 176.716 177.300 0.116 0.000 1.147 171 P CA 0.586 63.665 63.100 -0.034 0.000 0.758 171 P CB 0.211 31.763 31.700 -0.247 0.000 0.744 172 I N 4.544 125.290 120.570 0.293 0.000 2.404 172 I HA 0.280 4.453 4.170 0.004 0.000 0.293 172 I C 0.938 177.194 176.117 0.231 0.000 0.992 172 I CA -1.109 60.390 61.300 0.332 0.000 1.149 172 I CB 1.338 39.360 38.000 0.037 0.000 1.315 172 I HN 0.374 nan 8.210 nan 0.000 0.446 173 M N 6.803 126.126 119.600 -0.461 0.000 2.435 173 M HA 0.068 4.550 4.480 0.004 0.000 0.338 173 M C -0.541 175.420 176.300 -0.565 0.000 1.628 173 M CA -0.663 53.999 55.300 -1.063 0.000 1.215 173 M CB 0.057 31.690 32.600 -1.612 0.000 1.905 173 M HN 0.273 nan 8.290 nan 0.000 0.457 174 L N 6.117 126.990 121.223 -0.583 0.000 2.737 174 L HA -0.137 4.206 4.340 0.004 0.000 0.279 174 L C 0.992 177.639 176.870 -0.371 0.000 1.200 174 L CA 1.443 55.973 54.840 -0.516 0.000 0.952 174 L CB -0.763 40.732 42.059 -0.940 0.000 1.240 174 L HN 0.939 nan 8.230 nan 0.000 0.486 175 R N 0.534 120.911 120.500 -0.206 0.000 3.763 175 R HA -0.149 4.194 4.340 0.004 0.000 0.449 175 R C 0.402 176.656 176.300 -0.077 0.000 1.030 175 R CA 1.001 57.029 56.100 -0.121 0.000 1.126 175 R CB -1.560 28.662 30.300 -0.130 0.000 1.786 175 R HN 0.867 nan 8.270 nan 0.000 0.522 176 S N -1.079 114.578 115.700 -0.071 0.000 2.671 176 S HA 0.300 4.772 4.470 0.004 0.000 0.272 176 S C 1.141 175.777 174.600 0.060 0.000 1.174 176 S CA -0.325 57.892 58.200 0.029 0.000 1.004 176 S CB 1.200 64.468 63.200 0.113 0.000 1.077 176 S HN 0.264 nan 8.310 nan 0.000 0.553 177 K N 0.268 120.728 120.400 0.100 0.000 2.281 177 K HA -0.093 4.229 4.320 0.004 0.000 0.203 177 K C 1.285 177.901 176.600 0.027 0.000 1.046 177 K CA 1.593 57.915 56.287 0.057 0.000 0.938 177 K CB -0.289 32.242 32.500 0.052 0.000 0.737 177 K HN 0.547 nan 8.250 nan 0.000 0.458 178 N N -0.259 118.456 118.700 0.025 0.000 2.319 178 N HA -0.040 4.703 4.740 0.004 0.000 0.189 178 N C -0.074 175.329 175.510 -0.178 0.000 1.042 178 N CA 0.333 53.333 53.050 -0.083 0.000 0.879 178 N CB -0.387 38.046 38.487 -0.089 0.000 1.052 178 N HN 0.099 nan 8.380 nan 0.000 0.446 179 C N 2.733 121.984 119.300 -0.082 0.000 1.537 179 C HA -0.178 4.285 4.460 0.004 0.000 0.459 179 C C 1.275 176.254 174.990 -0.019 0.000 1.461 179 C CA -0.228 58.812 59.018 0.037 0.000 1.623 179 C CB -1.975 25.836 27.740 0.119 0.000 3.004 179 C HN 0.496 nan 8.230 nan 0.000 0.599 180 Y N 3.257 123.649 120.300 0.154 0.000 2.405 180 Y HA -0.180 4.373 4.550 0.004 0.000 0.282 180 Y C 1.981 177.951 175.900 0.116 0.000 1.182 180 Y CA 1.366 59.536 58.100 0.118 0.000 1.312 180 Y CB -0.505 38.039 38.460 0.141 0.000 0.971 180 Y HN 0.679 nan 8.280 nan 0.000 0.560 181 L N -0.376 120.964 121.223 0.195 0.000 2.552 181 L HA -0.120 4.223 4.340 0.004 0.000 0.227 181 L C 2.218 179.119 176.870 0.052 0.000 1.146 181 L CA 0.897 55.799 54.840 0.104 0.000 0.858 181 L CB -0.464 41.610 42.059 0.025 0.000 0.969 181 L HN 0.244 nan 8.230 nan 0.000 0.451 182 S N -0.829 114.902 115.700 0.052 0.000 2.507 182 S HA -0.101 4.372 4.470 0.004 0.000 0.235 182 S C 1.292 175.915 174.600 0.037 0.000 0.988 182 S CA 0.898 59.116 58.200 0.030 0.000 0.944 182 S CB -0.078 63.136 63.200 0.024 0.000 0.762 182 S HN 0.527 nan 8.310 nan 0.000 0.526 183 E N 0.795 121.030 120.200 0.059 0.000 2.571 183 E HA 0.476 4.828 4.350 0.004 0.000 0.222 183 E C 0.462 177.090 176.600 0.048 0.000 0.904 183 E CA 0.274 56.706 56.400 0.052 0.000 1.157 183 E CB 0.330 30.071 29.700 0.067 0.000 1.158 183 E HN 0.491 nan 8.360 nan 0.000 0.540 184 A N 2.105 124.958 122.820 0.056 0.000 2.584 184 A HA 0.187 4.510 4.320 0.004 0.000 0.239 184 A C 0.872 178.461 177.584 0.008 0.000 1.043 184 A CA 0.590 52.652 52.037 0.040 0.000 0.756 184 A CB -0.278 18.750 19.000 0.047 0.000 0.963 184 A HN 0.213 nan 8.150 nan 0.000 0.511 185 T N 0.025 114.583 114.554 0.007 0.000 2.754 185 T HA 0.215 4.568 4.350 0.004 0.000 0.286 185 T C 1.007 175.692 174.700 -0.026 0.000 0.997 185 T CA 0.579 62.677 62.100 -0.003 0.000 0.982 185 T CB 0.741 69.614 68.868 0.010 0.000 1.027 185 T HN 0.747 nan 8.240 nan 0.000 0.529 186 E N 0.154 120.338 120.200 -0.026 0.000 2.007 186 E HA -0.159 4.194 4.350 0.004 0.000 0.194 186 E C 2.308 178.924 176.600 0.026 0.000 0.999 186 E CA 1.566 57.935 56.400 -0.051 0.000 0.811 186 E CB -0.423 29.268 29.700 -0.015 0.000 0.762 186 E HN 0.824 nan 8.360 nan 0.000 0.450 187 S N 0.171 115.937 115.700 0.110 0.000 2.440 187 S HA -0.191 4.281 4.470 0.004 0.000 0.238 187 S C 1.432 176.092 174.600 0.099 0.000 1.010 187 S CA 1.695 60.000 58.200 0.175 0.000 0.972 187 S CB -0.334 62.918 63.200 0.088 0.000 0.774 187 S HN 0.239 nan 8.310 nan 0.000 0.501 188 D N 1.103 121.525 120.400 0.037 0.000 2.178 188 D HA 0.047 4.689 4.640 0.004 0.000 0.201 188 D C 1.777 178.074 176.300 -0.006 0.000 0.980 188 D CA 0.946 54.954 54.000 0.012 0.000 0.842 188 D CB -0.203 40.604 40.800 0.011 0.000 0.948 188 D HN 0.382 nan 8.370 nan 0.000 0.472 189 L N -0.728 120.469 121.223 -0.043 0.000 1.961 189 L HA -0.168 4.175 4.340 0.004 0.000 0.209 189 L C 1.994 178.808 176.870 -0.093 0.000 1.075 189 L CA 1.112 55.883 54.840 -0.115 0.000 0.749 189 L CB -0.572 41.336 42.059 -0.252 0.000 0.890 189 L HN 0.143 nan 8.230 nan 0.000 0.433 190 Y N 0.271 120.538 120.300 -0.056 0.000 2.132 190 Y HA -0.409 4.143 4.550 0.004 0.000 0.280 190 Y C 2.642 178.504 175.900 -0.064 0.000 1.193 190 Y CA 1.603 59.665 58.100 -0.063 0.000 1.157 190 Y CB -0.435 37.983 38.460 -0.069 0.000 0.966 190 Y HN 0.109 nan 8.280 nan 0.000 0.511 191 K N 0.322 120.783 120.400 0.101 0.000 2.001 191 K HA -0.215 4.108 4.320 0.004 0.000 0.214 191 K C 1.599 178.175 176.600 -0.040 0.000 1.050 191 K CA 2.006 58.301 56.287 0.014 0.000 0.934 191 K CB -0.633 31.862 32.500 -0.009 0.000 0.718 191 K HN 0.335 nan 8.250 nan 0.000 0.443 192 L N 1.211 122.394 121.223 -0.066 0.000 2.700 192 L HA -0.007 4.335 4.340 0.004 0.000 0.240 192 L C -0.006 176.839 176.870 -0.042 0.000 1.162 192 L CA 0.441 55.221 54.840 -0.101 0.000 0.874 192 L CB -0.717 41.294 42.059 -0.080 0.000 1.001 192 L HN 0.208 nan 8.230 nan 0.000 0.447 193 K N 0.405 120.792 120.400 -0.022 0.000 3.150 193 K HA -0.153 4.169 4.320 0.004 0.000 0.267 193 K C -0.230 176.362 176.600 -0.014 0.000 1.028 193 K CA 0.521 56.804 56.287 -0.007 0.000 0.753 193 K CB -1.234 31.261 32.500 -0.008 0.000 1.288 193 K HN 0.330 nan 8.250 nan 0.000 0.473 194 E N 0.791 120.964 120.200 -0.046 0.000 2.218 194 E HA 0.129 4.482 4.350 0.004 0.000 0.263 194 E C -0.519 176.008 176.600 -0.120 0.000 0.879 194 E CA -0.584 55.786 56.400 -0.050 0.000 0.762 194 E CB 1.776 31.455 29.700 -0.035 0.000 1.166 194 E HN 0.329 nan 8.360 nan 0.000 0.415 195 C N 6.127 125.388 119.300 -0.065 0.000 2.611 195 C HA 0.087 4.550 4.460 0.004 0.000 0.416 195 C C -0.883 174.022 174.990 -0.142 0.000 1.366 195 C CA -1.007 57.955 59.018 -0.092 0.000 1.761 195 C CB 0.030 27.793 27.740 0.038 0.000 2.619 195 C HN 0.565 nan 8.230 nan 0.000 0.606 196 P HA 0.043 nan 4.420 nan 0.000 0.249 196 P C 0.750 177.852 177.300 -0.330 0.000 1.229 196 P CA 1.110 63.981 63.100 -0.382 0.000 0.788 196 P CB -0.027 31.294 31.700 -0.632 0.000 1.072 197 F N 0.037 119.930 119.950 -0.094 0.000 2.717 197 F HA 0.166 4.695 4.527 0.004 0.000 0.295 197 F C 1.061 176.944 175.800 0.139 0.000 1.117 197 F CA -0.401 57.575 58.000 -0.039 0.000 1.361 197 F CB -0.088 38.764 39.000 -0.246 0.000 1.112 197 F HN -0.148 nan 8.300 nan 0.000 0.594 198 D N 1.275 121.826 120.400 0.253 0.000 2.458 198 D HA -0.024 4.619 4.640 0.004 0.000 0.243 198 D C 1.237 177.651 176.300 0.191 0.000 1.146 198 D CA 0.198 54.353 54.000 0.259 0.000 0.877 198 D CB 0.725 41.641 40.800 0.193 0.000 1.176 198 D HN 0.048 nan 8.370 nan 0.000 0.461 199 M N 2.208 121.927 119.600 0.199 0.000 2.382 199 M HA 0.283 4.765 4.480 0.004 0.000 0.247 199 M C 0.774 177.126 176.300 0.086 0.000 1.104 199 M CA 0.316 55.683 55.300 0.112 0.000 1.030 199 M CB -1.090 31.558 32.600 0.079 0.000 1.424 199 M HN 0.348 nan 8.290 nan 0.000 0.486 200 G N 0.857 109.784 108.800 0.211 0.000 3.147 200 G HA2 0.079 4.042 3.960 0.004 0.000 0.605 200 G HA3 0.079 4.042 3.960 0.004 0.000 0.605 200 G C 0.431 175.348 174.900 0.028 0.000 1.632 200 G CA 0.313 45.473 45.100 0.099 0.000 1.148 200 G HN 1.494 nan 8.290 nan 0.000 0.587 201 G N -0.661 108.085 108.800 -0.089 0.000 4.199 201 G HA2 0.479 4.442 3.960 0.004 0.000 0.220 201 G HA3 0.479 4.442 3.960 0.004 0.000 0.220 201 G C 0.029 174.784 174.900 -0.241 0.000 0.841 201 G CA 0.445 45.449 45.100 -0.160 0.000 0.973 201 G HN 2.052 nan 8.290 nan 0.000 0.743 202 Y N -1.065 118.965 120.300 -0.450 0.000 2.650 202 Y HA 0.869 5.422 4.550 0.004 0.000 0.331 202 Y C -0.111 175.351 175.900 -0.730 0.000 1.082 202 Y CA -2.060 55.730 58.100 -0.516 0.000 1.171 202 Y CB 1.032 39.345 38.460 -0.245 0.000 1.326 202 Y HN -0.102 nan 8.280 nan 0.000 0.513 203 F N 0.205 120.187 119.950 0.054 0.000 2.535 203 F HA 0.690 5.220 4.527 0.004 0.000 0.367 203 F C -0.811 175.051 175.800 0.103 0.000 1.096 203 F CA -1.070 56.930 58.000 0.001 0.000 1.088 203 F CB 1.481 40.504 39.000 0.038 0.000 1.387 203 F HN 0.208 nan 8.300 nan 0.000 0.494 204 I N 2.460 123.229 120.570 0.331 0.000 2.571 204 I HA 0.314 4.486 4.170 0.004 0.000 0.286 204 I C -1.347 174.912 176.117 0.235 0.000 1.134 204 I CA -0.121 61.326 61.300 0.244 0.000 1.052 204 I CB 1.776 39.881 38.000 0.176 0.000 1.237 204 I HN 0.221 nan 8.210 nan 0.000 0.435 205 I N 6.664 127.349 120.570 0.191 0.000 2.468 205 I HA 0.327 4.500 4.170 0.004 0.000 0.284 205 I C -0.434 175.757 176.117 0.123 0.000 1.038 205 I CA -0.452 60.937 61.300 0.147 0.000 1.083 205 I CB 1.644 39.726 38.000 0.136 0.000 1.223 205 I HN 0.711 nan 8.210 nan 0.000 0.443 206 N N 5.034 123.799 118.700 0.109 0.000 2.727 206 N HA -0.209 4.533 4.740 0.004 0.000 0.251 206 N C 1.089 176.670 175.510 0.119 0.000 1.040 206 N CA 0.968 54.078 53.050 0.099 0.000 0.712 206 N CB -1.342 37.199 38.487 0.091 0.000 0.912 206 N HN 1.108 nan 8.380 nan 0.000 0.545 207 G N -1.075 107.801 108.800 0.127 0.000 2.322 207 G HA2 -0.392 3.570 3.960 0.004 0.000 0.264 207 G HA3 -0.392 3.570 3.960 0.004 0.000 0.264 207 G C 0.182 175.155 174.900 0.121 0.000 0.992 207 G CA 1.087 46.267 45.100 0.133 0.000 0.624 207 G HN 1.484 nan 8.290 nan 0.000 0.543 208 S N 0.651 116.421 115.700 0.116 0.000 2.475 208 S HA 0.595 5.067 4.470 0.004 0.000 0.281 208 S C -0.094 174.582 174.600 0.128 0.000 1.198 208 S CA -0.475 57.785 58.200 0.099 0.000 1.063 208 S CB 1.626 64.875 63.200 0.082 0.000 0.972 208 S HN 0.468 nan 8.310 nan 0.000 0.486 209 E N 3.055 123.322 120.200 0.112 0.000 2.324 209 E HA 0.207 4.560 4.350 0.004 0.000 0.271 209 E C -0.238 176.442 176.600 0.134 0.000 1.028 209 E CA -0.289 56.215 56.400 0.174 0.000 0.890 209 E CB 0.490 30.194 29.700 0.007 0.000 1.004 209 E HN 0.443 nan 8.360 nan 0.000 0.431 210 K N 2.035 122.563 120.400 0.213 0.000 2.316 210 K HA 0.473 4.796 4.320 0.004 0.000 0.251 210 K C -0.732 175.966 176.600 0.164 0.000 0.934 210 K CA -0.910 55.483 56.287 0.176 0.000 0.802 210 K CB 2.288 34.919 32.500 0.218 0.000 1.171 210 K HN 0.229 nan 8.250 nan 0.000 0.426 211 V N 2.949 122.902 119.914 0.064 0.000 2.581 211 V HA 0.435 4.557 4.120 0.004 0.000 0.303 211 V C 0.079 176.141 176.094 -0.054 0.000 1.041 211 V CA -1.055 61.219 62.300 -0.043 0.000 0.907 211 V CB 1.774 33.455 31.823 -0.237 0.000 0.994 211 V HN 0.563 nan 8.190 nan 0.000 0.442 212 L N 5.008 126.190 121.223 -0.067 0.000 2.265 212 L HA 0.435 4.777 4.340 0.004 0.000 0.288 212 L C -0.504 176.249 176.870 -0.196 0.000 1.058 212 L CA -0.385 54.370 54.840 -0.141 0.000 0.809 212 L CB 1.023 43.023 42.059 -0.098 0.000 1.179 212 L HN 0.435 nan 8.230 nan 0.000 0.429 213 I N 3.820 124.260 120.570 -0.217 0.000 2.352 213 I HA 0.224 4.397 4.170 0.004 0.000 0.290 213 I C 0.945 176.958 176.117 -0.173 0.000 1.036 213 I CA -0.321 60.868 61.300 -0.185 0.000 1.336 213 I CB 1.016 38.936 38.000 -0.133 0.000 1.407 213 I HN 0.606 nan 8.210 nan 0.000 0.497 214 A N 8.015 130.753 122.820 -0.138 0.000 2.583 214 A HA 0.104 4.427 4.320 0.004 0.000 0.231 214 A C 0.252 177.779 177.584 -0.095 0.000 1.065 214 A CA 0.217 52.190 52.037 -0.108 0.000 0.760 214 A CB 0.174 19.130 19.000 -0.073 0.000 1.001 214 A HN 0.718 nan 8.150 nan 0.000 0.509 215 Q N 0.363 120.113 119.800 -0.083 0.000 2.347 215 Q HA 0.380 4.722 4.340 0.004 0.000 0.271 215 Q C -1.001 174.978 176.000 -0.035 0.000 1.064 215 Q CA -0.404 55.363 55.803 -0.060 0.000 0.800 215 Q CB 2.309 30.999 28.738 -0.079 0.000 1.304 215 Q HN 0.882 nan 8.270 nan 0.000 0.438 216 E N 2.293 122.489 120.200 -0.007 0.000 2.175 216 E HA 0.531 4.883 4.350 0.004 0.000 0.278 216 E C -0.845 175.759 176.600 0.007 0.000 0.969 216 E CA -0.416 55.989 56.400 0.010 0.000 0.796 216 E CB 1.105 30.847 29.700 0.071 0.000 1.104 216 E HN 0.562 nan 8.360 nan 0.000 0.395 217 R N 0.962 121.453 120.500 -0.015 0.000 2.710 217 R HA 0.412 4.755 4.340 0.004 0.000 0.270 217 R C -1.307 174.978 176.300 -0.025 0.000 1.021 217 R CA -0.850 55.244 56.100 -0.009 0.000 0.889 217 R CB 1.314 31.608 30.300 -0.009 0.000 1.243 217 R HN 0.247 nan 8.270 nan 0.000 0.464 218 S N 0.881 116.578 115.700 -0.006 0.000 2.505 218 S HA 0.504 4.977 4.470 0.004 0.000 0.276 218 S C 0.245 174.829 174.600 -0.027 0.000 1.274 218 S CA 0.031 58.225 58.200 -0.008 0.000 1.053 218 S CB 0.388 63.602 63.200 0.024 0.000 0.919 218 S HN 0.710 nan 8.310 nan 0.000 0.490 219 A N 3.916 126.700 122.820 -0.059 0.000 2.455 219 A HA 0.553 4.876 4.320 0.004 0.000 0.244 219 A C 0.805 178.366 177.584 -0.039 0.000 1.099 219 A CA 0.245 52.238 52.037 -0.073 0.000 0.786 219 A CB -0.282 18.640 19.000 -0.131 0.000 1.051 219 A HN 0.921 nan 8.150 nan 0.000 0.508 220 G N -1.545 107.232 108.800 -0.040 0.000 2.568 220 G HA2 0.484 4.446 3.960 0.004 0.000 0.313 220 G HA3 0.484 4.446 3.960 0.004 0.000 0.313 220 G C -0.385 174.488 174.900 -0.045 0.000 1.227 220 G CA -0.320 44.756 45.100 -0.039 0.000 0.979 220 G HN 1.036 nan 8.290 nan 0.000 0.486 221 N N -1.554 117.085 118.700 -0.101 0.000 2.783 221 N HA -0.152 4.590 4.740 0.004 0.000 0.247 221 N C -0.518 175.030 175.510 0.064 0.000 1.089 221 N CA 1.226 54.192 53.050 -0.140 0.000 0.690 221 N CB -1.656 36.705 38.487 -0.209 0.000 0.991 221 N HN 0.683 nan 8.380 nan 0.000 0.552 222 I N -2.729 117.872 120.570 0.051 0.000 2.582 222 I HA 0.356 4.529 4.170 0.004 0.000 0.292 222 I C 0.484 176.622 176.117 0.035 0.000 1.066 222 I CA -1.347 59.993 61.300 0.066 0.000 1.053 222 I CB 2.096 40.112 38.000 0.027 0.000 1.241 222 I HN -0.281 nan 8.210 nan 0.000 0.421 223 V N 5.183 125.119 119.914 0.037 0.000 2.400 223 V HA 0.037 4.159 4.120 0.004 0.000 0.263 223 V C -0.045 175.968 176.094 -0.135 0.000 1.026 223 V CA 0.878 63.163 62.300 -0.025 0.000 1.077 223 V CB 0.021 31.870 31.823 0.044 0.000 1.054 223 V HN 0.734 nan 8.190 nan 0.000 0.477 224 Q N 3.516 123.178 119.800 -0.230 0.000 2.305 224 Q HA 0.599 4.942 4.340 0.004 0.000 0.271 224 Q C -1.226 174.369 176.000 -0.674 0.000 1.046 224 Q CA -0.590 54.947 55.803 -0.444 0.000 0.798 224 Q CB 2.674 31.108 28.738 -0.508 0.000 1.286 224 Q HN 0.597 nan 8.270 nan 0.000 0.435 225 V N 1.326 120.862 119.914 -0.629 0.000 2.483 225 V HA 0.621 4.744 4.120 0.004 0.000 0.295 225 V C -0.664 175.176 176.094 -0.424 0.000 1.035 225 V CA -0.606 61.400 62.300 -0.491 0.000 0.896 225 V CB 0.934 32.609 31.823 -0.247 0.000 0.986 225 V HN 0.642 nan 8.190 nan 0.000 0.447 226 F N 2.290 122.209 119.950 -0.053 0.000 2.539 226 F HA 0.468 4.998 4.527 0.004 0.000 0.328 226 F C 0.517 176.294 175.800 -0.037 0.000 1.148 226 F CA -1.088 56.883 58.000 -0.048 0.000 0.940 226 F CB 2.025 41.017 39.000 -0.013 0.000 1.194 226 F HN 0.379 nan 8.300 nan 0.000 0.438 227 K N 3.871 124.343 120.400 0.120 0.000 2.350 227 K HA 0.256 4.578 4.320 0.004 0.000 0.279 227 K C -0.393 176.306 176.600 0.165 0.000 1.027 227 K CA -0.179 56.186 56.287 0.129 0.000 0.969 227 K CB 1.313 33.836 32.500 0.038 0.000 0.954 227 K HN 0.611 nan 8.250 nan 0.000 0.474 228 K N 1.179 121.691 120.400 0.185 0.000 2.203 228 K HA 0.347 4.670 4.320 0.004 0.000 0.251 228 K C -0.091 176.542 176.600 0.054 0.000 0.944 228 K CA -0.567 55.771 56.287 0.084 0.000 0.829 228 K CB 1.790 34.327 32.500 0.061 0.000 1.125 228 K HN 0.743 nan 8.250 nan 0.000 0.430 229 A N 1.851 124.681 122.820 0.018 0.000 2.698 229 A HA -0.105 4.218 4.320 0.004 0.000 0.516 229 A C 1.141 178.727 177.584 0.005 0.000 1.526 229 A CA 1.389 53.430 52.037 0.006 0.000 1.726 229 A CB -0.534 18.460 19.000 -0.010 0.000 1.254 229 A HN 0.941 nan 8.150 nan 0.000 0.627 230 A N 0.452 123.272 122.820 -0.001 0.000 1.839 230 A HA 0.118 4.441 4.320 0.004 0.000 0.213 230 A C 0.167 177.744 177.584 -0.012 0.000 1.274 230 A CA 1.454 53.489 52.037 -0.003 0.000 0.608 230 A CB -1.773 17.226 19.000 -0.003 0.000 0.920 230 A HN 0.814 nan 8.150 nan 0.000 0.465 231 P HA -0.109 nan 4.420 nan 0.000 0.226 231 P C 0.253 177.537 177.300 -0.027 0.000 1.139 231 P CA 1.749 64.839 63.100 -0.017 0.000 0.777 231 P CB -0.613 31.078 31.700 -0.014 0.000 0.757 232 S N -1.092 114.587 115.700 -0.035 0.000 2.532 232 S HA 0.505 4.977 4.470 0.004 0.000 0.301 232 S C -1.621 172.933 174.600 -0.077 0.000 1.083 232 S CA -1.707 56.457 58.200 -0.060 0.000 1.025 232 S CB 2.462 65.626 63.200 -0.061 0.000 1.056 232 S HN -0.173 nan 8.310 nan 0.000 0.494 233 P HA 0.027 nan 4.420 nan 0.000 0.215 233 P C 1.007 178.207 177.300 -0.168 0.000 1.157 233 P CA 0.601 63.626 63.100 -0.124 0.000 0.856 233 P CB -0.391 31.220 31.700 -0.148 0.000 0.786 234 I N -0.052 120.343 120.570 -0.292 0.000 2.813 234 I HA 0.067 4.239 4.170 0.004 0.000 0.287 234 I C 0.983 177.039 176.117 -0.102 0.000 1.196 234 I CA 0.518 61.675 61.300 -0.237 0.000 1.421 234 I CB -0.181 37.659 38.000 -0.266 0.000 1.365 234 I HN 0.025 nan 8.210 nan 0.000 0.591 235 S N 2.136 117.790 115.700 -0.076 0.000 2.733 235 S HA 0.305 4.777 4.470 0.004 0.000 0.247 235 S C 0.041 174.673 174.600 0.054 0.000 1.043 235 S CA -0.285 57.855 58.200 -0.100 0.000 1.066 235 S CB 0.016 63.039 63.200 -0.295 0.000 1.045 235 S HN 0.874 nan 8.310 nan 0.000 0.586 236 H N -0.683 118.404 119.070 0.029 0.000 3.005 236 H HA 0.668 5.226 4.556 0.004 0.000 0.311 236 H C -1.695 173.660 175.328 0.046 0.000 1.366 236 H CA -0.747 55.327 56.048 0.044 0.000 1.210 236 H CB 1.418 31.194 29.762 0.024 0.000 1.894 236 H HN 0.126 nan 8.280 nan 0.000 0.520 237 V N 0.422 120.444 119.914 0.180 0.000 2.852 237 V HA 0.688 4.810 4.120 0.004 0.000 0.300 237 V C -0.598 175.487 176.094 -0.017 0.000 1.205 237 V CA -0.734 61.625 62.300 0.098 0.000 0.940 237 V CB 1.989 33.885 31.823 0.122 0.000 1.047 237 V HN 1.024 nan 8.190 nan 0.000 0.429 238 A N 3.367 126.158 122.820 -0.048 0.000 2.317 238 A HA 0.921 5.243 4.320 0.004 0.000 0.327 238 A C -0.462 177.060 177.584 -0.104 0.000 1.178 238 A CA -0.393 51.560 52.037 -0.140 0.000 0.817 238 A CB 1.413 20.345 19.000 -0.113 0.000 1.189 238 A HN 0.889 nan 8.150 nan 0.000 0.489 239 E N 1.513 121.617 120.200 -0.160 0.000 2.429 239 E HA 0.675 5.028 4.350 0.004 0.000 0.276 239 E C -2.004 174.566 176.600 -0.050 0.000 0.953 239 E CA -0.616 55.742 56.400 -0.071 0.000 0.787 239 E CB 2.045 31.718 29.700 -0.045 0.000 1.307 239 E HN 0.719 nan 8.360 nan 0.000 0.458 240 I N 2.342 122.922 120.570 0.017 0.000 2.599 240 I HA 0.349 4.522 4.170 0.004 0.000 0.285 240 I C -1.084 175.064 176.117 0.052 0.000 1.168 240 I CA -0.567 60.762 61.300 0.048 0.000 1.060 240 I CB 1.126 39.202 38.000 0.126 0.000 1.249 240 I HN 0.502 nan 8.210 nan 0.000 0.442 241 R N 5.085 125.605 120.500 0.033 0.000 2.878 241 R HA 0.165 4.508 4.340 0.004 0.000 0.239 241 R C 0.146 176.443 176.300 -0.005 0.000 1.515 241 R CA -0.047 56.070 56.100 0.029 0.000 1.210 241 R CB 0.105 30.423 30.300 0.029 0.000 1.209 241 R HN 0.688 nan 8.270 nan 0.000 0.610 242 S N 0.875 116.578 115.700 0.005 0.000 2.537 242 S HA 0.718 5.191 4.470 0.004 0.000 0.275 242 S C -0.158 174.425 174.600 -0.029 0.000 1.272 242 S CA -0.630 57.533 58.200 -0.062 0.000 1.050 242 S CB 2.007 65.258 63.200 0.085 0.000 0.961 242 S HN 0.541 nan 8.310 nan 0.000 0.496 243 A N 2.805 125.571 122.820 -0.089 0.000 2.586 243 A HA 0.483 4.805 4.320 0.004 0.000 0.296 243 A C -0.952 176.606 177.584 -0.043 0.000 1.040 243 A CA -1.039 50.983 52.037 -0.024 0.000 0.701 243 A CB 0.349 19.357 19.000 0.014 0.000 1.277 243 A HN 0.882 nan 8.150 nan 0.000 0.413 244 L N 2.463 123.667 121.223 -0.032 0.000 2.513 244 L HA 0.159 4.501 4.340 0.004 0.000 0.272 244 L C 2.015 178.878 176.870 -0.013 0.000 1.187 244 L CA 0.386 55.206 54.840 -0.034 0.000 0.895 244 L CB 0.446 42.453 42.059 -0.086 0.000 1.147 244 L HN 1.047 nan 8.230 nan 0.000 0.483 245 E N 4.003 124.204 120.200 0.002 0.000 2.106 245 E HA -0.132 4.220 4.350 0.004 0.000 0.192 245 E C -0.248 176.365 176.600 0.023 0.000 0.984 245 E CA 0.896 57.307 56.400 0.018 0.000 0.806 245 E CB 0.226 29.946 29.700 0.033 0.000 0.750 245 E HN 0.679 nan 8.360 nan 0.000 0.458 246 K N -0.376 120.032 120.400 0.013 0.000 2.559 246 K HA 0.584 4.906 4.320 0.004 0.000 0.249 246 K C -0.379 176.220 176.600 -0.002 0.000 0.958 246 K CA -0.432 55.865 56.287 0.018 0.000 0.901 246 K CB 1.689 34.202 32.500 0.020 0.000 1.124 246 K HN 0.159 nan 8.250 nan 0.000 0.437 247 G N 0.945 109.749 108.800 0.007 0.000 2.398 247 G HA2 0.005 3.968 3.960 0.004 0.000 0.221 247 G HA3 0.005 3.968 3.960 0.004 0.000 0.221 247 G C -0.089 174.805 174.900 -0.010 0.000 1.112 247 G CA 0.048 45.142 45.100 -0.010 0.000 0.823 247 G HN 0.765 nan 8.290 nan 0.000 0.487 248 S N -0.750 114.978 115.700 0.047 0.000 7.417 248 S HA 0.020 4.493 4.470 0.004 0.000 0.039 248 S C 0.269 174.949 174.600 0.133 0.000 1.554 248 S CA 1.115 59.382 58.200 0.112 0.000 0.937 248 S CB -0.704 62.585 63.200 0.148 0.000 0.682 248 S HN 1.991 nan 8.310 nan 0.000 0.537 249 R N 0.129 120.725 120.500 0.161 0.000 2.299 249 R HA 0.026 4.369 4.340 0.004 0.000 0.317 249 R C -1.722 174.731 176.300 0.255 0.000 1.016 249 R CA 0.771 56.967 56.100 0.159 0.000 0.570 249 R CB -2.010 28.354 30.300 0.108 0.000 1.663 249 R HN 0.398 nan 8.270 nan 0.000 0.389 250 F N 3.039 123.010 119.950 0.036 0.000 2.334 250 F HA 0.365 4.894 4.527 0.004 0.000 0.365 250 F C 0.743 176.567 175.800 0.040 0.000 1.124 250 F CA -0.866 57.161 58.000 0.045 0.000 1.166 250 F CB 0.681 39.704 39.000 0.039 0.000 1.355 250 F HN 0.134 nan 8.300 nan 0.000 0.532 251 I N 3.894 124.581 120.570 0.194 0.000 2.301 251 I HA 0.040 4.213 4.170 0.004 0.000 0.292 251 I C 0.285 176.473 176.117 0.118 0.000 1.046 251 I CA 0.208 61.588 61.300 0.134 0.000 1.282 251 I CB 1.261 39.317 38.000 0.093 0.000 1.409 251 I HN 0.348 nan 8.210 nan 0.000 0.484 252 S N 5.588 121.351 115.700 0.106 0.000 2.790 252 S HA 0.261 4.733 4.470 0.004 0.000 0.202 252 S C 0.154 174.795 174.600 0.069 0.000 1.383 252 S CA -0.639 57.612 58.200 0.085 0.000 1.026 252 S CB -0.339 62.911 63.200 0.084 0.000 1.253 252 S HN 0.646 nan 8.310 nan 0.000 0.489 253 T N 3.318 117.914 114.554 0.069 0.000 2.743 253 T HA 0.397 4.749 4.350 0.004 0.000 0.290 253 T C -0.149 174.592 174.700 0.070 0.000 0.908 253 T CA -0.661 61.479 62.100 0.067 0.000 1.092 253 T CB 0.344 69.253 68.868 0.069 0.000 0.882 253 T HN 0.565 nan 8.240 nan 0.000 0.531 254 L N 3.287 124.552 121.223 0.069 0.000 2.292 254 L HA 0.461 4.804 4.340 0.004 0.000 0.284 254 L C -0.290 176.621 176.870 0.068 0.000 1.065 254 L CA -0.056 54.829 54.840 0.075 0.000 0.806 254 L CB 1.203 43.303 42.059 0.068 0.000 1.175 254 L HN 0.662 nan 8.230 nan 0.000 0.431 255 Q N 3.622 123.465 119.800 0.073 0.000 2.365 255 Q HA 0.640 4.982 4.340 0.004 0.000 0.269 255 Q C -1.458 174.583 176.000 0.068 0.000 1.061 255 Q CA -0.913 54.929 55.803 0.066 0.000 0.816 255 Q CB 2.803 31.589 28.738 0.080 0.000 1.325 255 Q HN 0.548 nan 8.270 nan 0.000 0.446 256 V N 3.302 123.248 119.914 0.055 0.000 2.327 256 V HA 0.259 4.382 4.120 0.004 0.000 0.272 256 V C -0.589 175.554 176.094 0.082 0.000 1.019 256 V CA -0.875 61.463 62.300 0.062 0.000 0.814 256 V CB 0.682 32.529 31.823 0.040 0.000 1.040 256 V HN 0.610 nan 8.190 nan 0.000 0.440 257 K N 3.881 124.355 120.400 0.125 0.000 2.205 257 K HA 0.521 4.843 4.320 0.004 0.000 0.279 257 K C -0.553 176.158 176.600 0.186 0.000 1.027 257 K CA -0.854 55.527 56.287 0.157 0.000 0.932 257 K CB 2.169 34.786 32.500 0.196 0.000 1.032 257 K HN 0.383 nan 8.250 nan 0.000 0.466 258 L N 4.396 125.702 121.223 0.139 0.000 2.449 258 L HA 0.205 4.547 4.340 0.004 0.000 0.255 258 L C -1.048 175.898 176.870 0.126 0.000 1.167 258 L CA -0.607 54.297 54.840 0.106 0.000 1.090 258 L CB -1.103 40.972 42.059 0.027 0.000 1.385 258 L HN 0.394 nan 8.230 nan 0.000 0.411 259 Y N 2.486 122.780 120.300 -0.010 0.000 2.890 259 Y HA 0.338 4.890 4.550 0.004 0.000 0.341 259 Y C 1.415 177.295 175.900 -0.034 0.000 1.269 259 Y CA 0.975 59.067 58.100 -0.013 0.000 1.517 259 Y CB 0.395 38.856 38.460 0.000 0.000 1.314 259 Y HN 0.720 nan 8.280 nan 0.000 0.622 260 G N 3.284 112.133 108.800 0.080 0.000 3.035 260 G HA2 -0.125 3.838 3.960 0.004 0.000 0.674 260 G HA3 -0.125 3.838 3.960 0.004 0.000 0.674 260 G C -0.232 174.642 174.900 -0.044 0.000 1.159 260 G CA -1.014 44.099 45.100 0.022 0.000 1.098 260 G HN 0.533 nan 8.290 nan 0.000 0.473 261 R N 0.602 121.077 120.500 -0.041 0.000 2.954 261 R HA 0.231 4.573 4.340 0.004 0.000 0.276 261 R C 0.776 177.048 176.300 -0.047 0.000 1.218 261 R CA -0.356 55.710 56.100 -0.057 0.000 1.149 261 R CB 0.393 30.673 30.300 -0.033 0.000 1.112 261 R HN 0.676 nan 8.270 nan 0.000 0.577 262 E N -0.028 120.151 120.200 -0.035 0.000 2.220 262 E HA 0.113 4.466 4.350 0.004 0.000 0.272 262 E C 0.433 177.029 176.600 -0.007 0.000 1.099 262 E CA 0.715 57.103 56.400 -0.020 0.000 0.907 262 E CB 0.026 29.723 29.700 -0.006 0.000 1.022 262 E HN 0.684 nan 8.360 nan 0.000 0.428 263 G N 3.552 112.349 108.800 -0.004 0.000 3.211 263 G HA2 -0.334 3.629 3.960 0.004 0.000 0.206 263 G HA3 -0.334 3.629 3.960 0.004 0.000 0.206 263 G C 0.371 175.274 174.900 0.005 0.000 1.418 263 G CA -0.075 45.027 45.100 0.005 0.000 0.958 263 G HN 0.809 nan 8.290 nan 0.000 0.567 264 S N 1.901 117.603 115.700 0.003 0.000 4.357 264 S HA 0.203 4.676 4.470 0.004 0.000 0.524 264 S C 1.145 175.752 174.600 0.012 0.000 1.014 264 S CA 1.454 59.658 58.200 0.007 0.000 1.149 264 S CB -0.898 62.304 63.200 0.003 0.000 0.837 264 S HN 2.284 nan 8.310 nan 0.000 0.497 265 S N 4.568 120.277 115.700 0.015 0.000 4.142 265 S HA 0.226 4.699 4.470 0.004 0.000 0.497 265 S C 0.672 175.283 174.600 0.019 0.000 1.055 265 S CA 0.015 58.225 58.200 0.017 0.000 1.165 265 S CB -1.486 61.723 63.200 0.016 0.000 0.774 265 S HN 2.382 nan 8.310 nan 0.000 0.512 266 A N 2.823 125.653 122.820 0.017 0.000 1.524 266 A HA -0.165 4.158 4.320 0.004 0.000 0.196 266 A C 0.430 178.025 177.584 0.019 0.000 1.263 266 A CA 0.429 52.477 52.037 0.018 0.000 0.624 266 A CB -1.150 17.859 19.000 0.015 0.000 1.151 266 A HN 0.942 nan 8.150 nan 0.000 0.179 267 R N 1.803 122.313 120.500 0.016 0.000 2.272 267 R HA 0.311 4.654 4.340 0.004 0.000 0.334 267 R C 0.836 177.151 176.300 0.024 0.000 1.117 267 R CA 0.674 56.785 56.100 0.018 0.000 0.966 267 R CB 0.628 30.927 30.300 -0.002 0.000 1.049 267 R HN 0.865 nan 8.270 nan 0.000 0.477 268 T N 2.782 117.356 114.554 0.032 0.000 2.913 268 T HA 0.452 4.804 4.350 0.004 0.000 0.287 268 T C 0.230 174.948 174.700 0.029 0.000 1.008 268 T CA -0.521 61.588 62.100 0.016 0.000 1.067 268 T CB 0.611 69.468 68.868 -0.018 0.000 0.996 268 T HN 0.376 nan 8.240 nan 0.000 0.513 269 I N 3.587 124.170 120.570 0.021 0.000 2.406 269 I HA 0.497 4.669 4.170 0.004 0.000 0.290 269 I C 0.146 176.269 176.117 0.010 0.000 0.999 269 I CA -0.869 60.455 61.300 0.040 0.000 1.124 269 I CB 1.871 39.905 38.000 0.056 0.000 1.289 269 I HN 0.611 nan 8.210 nan 0.000 0.441 270 K N 4.221 124.631 120.400 0.015 0.000 2.433 270 K HA 0.929 5.251 4.320 0.004 0.000 0.252 270 K C -1.024 175.597 176.600 0.036 0.000 1.015 270 K CA -0.850 55.422 56.287 -0.024 0.000 0.860 270 K CB 2.774 35.180 32.500 -0.158 0.000 1.359 270 K HN 0.632 nan 8.250 nan 0.000 0.452 271 A N 0.429 123.254 122.820 0.009 0.000 2.483 271 A HA 0.759 5.082 4.320 0.004 0.000 0.286 271 A C -1.080 176.522 177.584 0.030 0.000 1.207 271 A CA -0.591 51.468 52.037 0.037 0.000 0.764 271 A CB 1.786 20.805 19.000 0.032 0.000 1.341 271 A HN 0.500 nan 8.150 nan 0.000 0.428 272 T N 0.682 115.270 114.554 0.056 0.000 2.829 272 T HA 0.666 5.018 4.350 0.004 0.000 0.280 272 T C -0.788 173.950 174.700 0.063 0.000 0.999 272 T CA -0.045 62.088 62.100 0.056 0.000 0.983 272 T CB 0.651 69.564 68.868 0.075 0.000 0.968 272 T HN 0.461 nan 8.240 nan 0.000 0.446 273 L N 3.114 124.360 121.223 0.039 0.000 2.376 273 L HA 0.528 4.870 4.340 0.004 0.000 0.258 273 L C -2.218 174.672 176.870 0.032 0.000 1.013 273 L CA -2.468 52.401 54.840 0.047 0.000 0.822 273 L CB 1.961 44.029 42.059 0.014 0.000 1.388 273 L HN 0.390 nan 8.230 nan 0.000 0.413 274 P HA -0.186 nan 4.420 nan 0.000 0.278 274 P C -0.481 176.847 177.300 0.046 0.000 1.369 274 P CA 0.203 63.293 63.100 -0.016 0.000 0.994 274 P CB 0.023 31.636 31.700 -0.146 0.000 0.984 275 Y N -2.124 118.186 120.300 0.016 0.000 2.802 275 Y HA -0.163 4.389 4.550 0.004 0.000 0.234 275 Y C 0.744 176.659 175.900 0.026 0.000 0.989 275 Y CA 0.241 58.356 58.100 0.026 0.000 1.151 275 Y CB -2.222 36.265 38.460 0.046 0.000 0.989 275 Y HN 0.035 nan 8.280 nan 0.000 0.603 276 I N -1.369 119.275 120.570 0.122 0.000 2.509 276 I HA 0.240 4.413 4.170 0.004 0.000 0.293 276 I C 1.110 177.257 176.117 0.050 0.000 1.020 276 I CA -1.460 59.882 61.300 0.070 0.000 1.088 276 I CB 2.153 40.149 38.000 -0.006 0.000 1.267 276 I HN -0.145 nan 8.210 nan 0.000 0.430 277 K N 2.406 122.837 120.400 0.052 0.000 2.108 277 K HA -0.277 4.046 4.320 0.004 0.000 0.219 277 K C 0.946 177.555 176.600 0.015 0.000 1.054 277 K CA 2.186 58.495 56.287 0.036 0.000 0.945 277 K CB -0.148 32.374 32.500 0.036 0.000 0.728 277 K HN 0.711 nan 8.250 nan 0.000 0.462 278 Q N -1.144 118.642 119.800 -0.023 0.000 2.778 278 Q HA 0.109 4.451 4.340 0.004 0.000 0.395 278 Q C -1.249 174.723 176.000 -0.047 0.000 0.645 278 Q CA -0.776 55.014 55.803 -0.022 0.000 0.925 278 Q CB 1.249 29.968 28.738 -0.032 0.000 1.101 278 Q HN -0.069 nan 8.270 nan 0.000 0.445 279 D N 0.041 120.403 120.400 -0.064 0.000 2.564 279 D HA 0.538 5.180 4.640 0.004 0.000 0.273 279 D C -0.463 175.738 176.300 -0.165 0.000 1.192 279 D CA -0.203 53.753 54.000 -0.074 0.000 1.080 279 D CB 0.947 41.719 40.800 -0.046 0.000 1.160 279 D HN 0.347 nan 8.370 nan 0.000 0.607 280 I N 0.668 121.152 120.570 -0.144 0.000 2.644 280 I HA 0.198 4.370 4.170 0.004 0.000 0.291 280 I C -2.636 173.424 176.117 -0.095 0.000 1.180 280 I CA -2.062 59.135 61.300 -0.172 0.000 1.040 280 I CB 2.114 40.002 38.000 -0.188 0.000 1.255 280 I HN -0.132 nan 8.210 nan 0.000 0.422 281 P HA 0.255 nan 4.420 nan 0.000 0.282 281 P C 1.276 178.580 177.300 0.008 0.000 1.262 281 P CA -0.351 62.743 63.100 -0.010 0.000 0.773 281 P CB 0.694 32.410 31.700 0.026 0.000 0.879 282 I N 3.356 123.933 120.570 0.012 0.000 2.147 282 I HA -0.348 3.824 4.170 0.004 0.000 0.245 282 I C 1.585 177.768 176.117 0.110 0.000 1.059 282 I CA 2.109 63.410 61.300 0.003 0.000 1.320 282 I CB -1.678 36.378 38.000 0.093 0.000 1.021 282 I HN 0.152 nan 8.210 nan 0.000 0.415 283 V N -0.329 119.707 119.914 0.203 0.000 2.453 283 V HA -0.261 3.862 4.120 0.004 0.000 0.252 283 V C 2.526 178.726 176.094 0.177 0.000 1.068 283 V CA 1.777 64.224 62.300 0.245 0.000 1.070 283 V CB -1.409 30.509 31.823 0.159 0.000 0.664 283 V HN 0.510 nan 8.190 nan 0.000 0.461 284 I N -0.018 120.617 120.570 0.108 0.000 2.060 284 I HA -0.156 4.017 4.170 0.004 0.000 0.233 284 I C 2.632 178.768 176.117 0.032 0.000 1.054 284 I CA 1.347 62.700 61.300 0.089 0.000 1.318 284 I CB -1.234 36.830 38.000 0.106 0.000 1.054 284 I HN 0.196 nan 8.210 nan 0.000 0.395 285 I N 0.665 121.196 120.570 -0.064 0.000 2.161 285 I HA -0.387 3.785 4.170 0.004 0.000 0.246 285 I C 2.743 178.758 176.117 -0.170 0.000 1.048 285 I CA 1.989 63.165 61.300 -0.207 0.000 1.314 285 I CB -1.232 36.560 38.000 -0.346 0.000 1.014 285 I HN 0.172 nan 8.210 nan 0.000 0.418 286 F N 0.408 120.324 119.950 -0.057 0.000 2.134 286 F HA -0.225 4.304 4.527 0.004 0.000 0.299 286 F C 2.819 178.585 175.800 -0.056 0.000 1.097 286 F CA 1.179 59.146 58.000 -0.055 0.000 1.264 286 F CB -0.244 38.746 39.000 -0.018 0.000 1.001 286 F HN 0.010 nan 8.300 nan 0.000 0.479 287 R N 0.051 120.652 120.500 0.168 0.000 2.070 287 R HA -0.167 4.175 4.340 0.004 0.000 0.233 287 R C 2.417 178.742 176.300 0.042 0.000 1.137 287 R CA 1.253 57.407 56.100 0.091 0.000 0.945 287 R CB -0.814 29.534 30.300 0.080 0.000 0.845 287 R HN 0.254 nan 8.270 nan 0.000 0.430 288 A N 0.901 123.724 122.820 0.006 0.000 2.093 288 A HA -0.149 4.174 4.320 0.004 0.000 0.222 288 A C 1.806 179.357 177.584 -0.056 0.000 1.162 288 A CA 1.288 53.302 52.037 -0.039 0.000 0.655 288 A CB -0.479 18.466 19.000 -0.092 0.000 0.805 288 A HN 0.243 nan 8.150 nan 0.000 0.461 289 L N -1.871 119.321 121.223 -0.051 0.000 2.629 289 L HA 0.260 4.603 4.340 0.004 0.000 0.230 289 L C 1.703 178.568 176.870 -0.008 0.000 1.151 289 L CA 0.487 55.302 54.840 -0.042 0.000 0.924 289 L CB -0.346 41.688 42.059 -0.042 0.000 1.137 289 L HN 0.589 nan 8.230 nan 0.000 0.457 290 G N 0.715 109.517 108.800 0.003 0.000 2.284 290 G HA2 -0.274 3.689 3.960 0.004 0.000 0.230 290 G HA3 -0.274 3.689 3.960 0.004 0.000 0.230 290 G C 0.151 175.057 174.900 0.011 0.000 1.021 290 G CA -0.392 44.713 45.100 0.008 0.000 0.619 290 G HN 0.177 nan 8.290 nan 0.000 0.510 291 I N 2.705 123.280 120.570 0.010 0.000 2.483 291 I HA 0.293 4.465 4.170 0.004 0.000 0.291 291 I C 1.479 177.618 176.117 0.037 0.000 1.112 291 I CA 0.011 61.309 61.300 -0.002 0.000 1.350 291 I CB 0.622 38.567 38.000 -0.091 0.000 1.419 291 I HN 0.121 nan 8.210 nan 0.000 0.523 292 I N 6.634 127.218 120.570 0.023 0.000 3.136 292 I HA 0.142 4.315 4.170 0.004 0.000 0.262 292 I C -1.505 174.624 176.117 0.020 0.000 1.132 292 I CA 0.190 61.508 61.300 0.031 0.000 1.450 292 I CB -1.187 36.829 38.000 0.026 0.000 1.315 292 I HN 0.325 nan 8.210 nan 0.000 0.460 293 P HA 0.007 nan 4.420 nan 0.000 0.264 293 P C -0.750 176.542 177.300 -0.013 0.000 1.229 293 P CA 0.106 63.203 63.100 -0.004 0.000 0.780 293 P CB -0.217 31.476 31.700 -0.012 0.000 0.808 294 D N 3.553 123.954 120.400 0.001 0.000 2.999 294 D HA 0.078 4.721 4.640 0.004 0.000 0.276 294 D C 1.657 177.943 176.300 -0.023 0.000 1.481 294 D CA 2.020 56.021 54.000 0.002 0.000 1.095 294 D CB -0.801 40.009 40.800 0.017 0.000 1.165 294 D HN 0.710 nan 8.370 nan 0.000 0.599 295 G N 2.511 111.282 108.800 -0.049 0.000 2.380 295 G HA2 -0.245 3.718 3.960 0.004 0.000 0.197 295 G HA3 -0.245 3.718 3.960 0.004 0.000 0.197 295 G C 0.932 175.786 174.900 -0.076 0.000 1.001 295 G CA 0.083 45.147 45.100 -0.061 0.000 0.668 295 G HN 0.477 nan 8.290 nan 0.000 0.483 296 E N 0.114 120.277 120.200 -0.062 0.000 2.358 296 E HA 0.077 4.430 4.350 0.004 0.000 0.195 296 E C 2.152 178.711 176.600 -0.068 0.000 1.010 296 E CA 0.417 56.785 56.400 -0.053 0.000 0.856 296 E CB -0.058 29.635 29.700 -0.012 0.000 0.795 296 E HN 0.455 nan 8.360 nan 0.000 0.504 297 I N 1.304 121.802 120.570 -0.119 0.000 2.130 297 I HA -0.253 3.919 4.170 0.004 0.000 0.234 297 I C 2.386 178.335 176.117 -0.280 0.000 1.067 297 I CA 0.911 62.041 61.300 -0.283 0.000 1.339 297 I CB -1.278 36.533 38.000 -0.314 0.000 1.073 297 I HN 0.225 nan 8.210 nan 0.000 0.405 298 L N 0.453 121.568 121.223 -0.181 0.000 2.230 298 L HA -0.274 4.068 4.340 0.004 0.000 0.217 298 L C 2.396 179.192 176.870 -0.122 0.000 1.090 298 L CA 1.543 56.304 54.840 -0.131 0.000 0.771 298 L CB -0.936 41.078 42.059 -0.075 0.000 0.892 298 L HN 0.430 nan 8.230 nan 0.000 0.438 299 E N -0.817 119.300 120.200 -0.139 0.000 2.046 299 E HA -0.180 4.173 4.350 0.004 0.000 0.190 299 E C 2.069 178.624 176.600 -0.076 0.000 0.982 299 E CA 0.756 57.095 56.400 -0.102 0.000 0.800 299 E CB -0.161 29.437 29.700 -0.171 0.000 0.756 299 E HN 0.603 nan 8.360 nan 0.000 0.449 300 H N 0.239 119.260 119.070 -0.081 0.000 2.492 300 H HA -0.109 4.449 4.556 0.004 0.000 0.296 300 H C 1.961 177.394 175.328 0.174 0.000 1.095 300 H CA 1.030 57.075 56.048 -0.005 0.000 1.281 300 H CB 0.120 29.658 29.762 -0.373 0.000 1.374 300 H HN 0.204 nan 8.280 nan 0.000 0.545 301 I N -0.765 119.787 120.570 -0.030 0.000 3.700 301 I HA -0.057 4.116 4.170 0.004 0.000 0.232 301 I C 1.132 176.923 176.117 -0.543 0.000 1.033 301 I CA -0.034 61.169 61.300 -0.161 0.000 1.525 301 I CB -0.000 37.954 38.000 -0.076 0.000 1.411 301 I HN 0.024 nan 8.210 nan 0.000 0.458 302 C N 1.803 120.920 119.300 -0.305 0.000 2.651 302 C HA 0.048 4.510 4.460 0.004 0.000 0.410 302 C C 1.331 176.221 174.990 -0.167 0.000 1.372 302 C CA -0.054 58.812 59.018 -0.253 0.000 1.707 302 C CB -1.296 26.380 27.740 -0.107 0.000 2.501 302 C HN 0.432 nan 8.230 nan 0.000 0.598 303 Y N 2.186 122.550 120.300 0.105 0.000 2.482 303 Y HA 0.182 4.734 4.550 0.004 0.000 0.270 303 Y C 0.852 176.809 175.900 0.096 0.000 1.152 303 Y CA -0.169 58.010 58.100 0.131 0.000 1.292 303 Y CB 0.209 38.798 38.460 0.215 0.000 1.070 303 Y HN 0.764 nan 8.280 nan 0.000 0.528 304 D N -0.925 119.582 120.400 0.178 0.000 2.964 304 D HA 0.187 4.829 4.640 0.004 0.000 0.234 304 D C -0.098 176.253 176.300 0.085 0.000 1.223 304 D CA -0.578 53.501 54.000 0.131 0.000 0.889 304 D CB 1.878 42.753 40.800 0.125 0.000 1.609 304 D HN -0.119 nan 8.370 nan 0.000 0.523 305 V N 2.380 122.340 119.914 0.077 0.000 3.563 305 V HA 0.180 4.302 4.120 0.004 0.000 0.299 305 V C 0.754 176.897 176.094 0.081 0.000 1.290 305 V CA -0.040 62.297 62.300 0.061 0.000 1.201 305 V CB -1.080 30.765 31.823 0.036 0.000 1.045 305 V HN 0.518 nan 8.190 nan 0.000 0.425 306 N N 0.462 119.219 118.700 0.096 0.000 2.235 306 N HA 0.073 4.816 4.740 0.004 0.000 0.209 306 N C 0.239 175.859 175.510 0.183 0.000 1.122 306 N CA 0.147 53.280 53.050 0.138 0.000 0.845 306 N CB 0.507 39.064 38.487 0.117 0.000 1.004 306 N HN 0.393 nan 8.380 nan 0.000 0.499 307 D N 1.307 121.765 120.400 0.098 0.000 3.139 307 D HA 0.037 4.679 4.640 0.004 0.000 0.268 307 D C 1.544 177.802 176.300 -0.071 0.000 1.322 307 D CA -0.659 53.329 54.000 -0.020 0.000 0.940 307 D CB -0.081 40.683 40.800 -0.061 0.000 1.050 307 D HN 0.211 nan 8.370 nan 0.000 0.503 308 W N 0.868 122.170 121.300 0.003 0.000 2.290 308 W HA -0.300 4.363 4.660 0.004 0.000 0.318 308 W C 1.229 177.749 176.519 0.002 0.000 1.248 308 W CA 0.605 57.951 57.345 0.001 0.000 1.263 308 W CB -0.839 28.622 29.460 0.002 0.000 1.147 308 W HN 0.201 nan 8.180 nan 0.000 0.494 309 Q N 0.860 119.890 119.800 -1.285 0.000 2.012 309 Q HA -0.325 4.018 4.340 0.004 0.000 0.211 309 Q C 2.427 178.137 176.000 -0.483 0.000 1.009 309 Q CA 3.245 58.269 55.803 -1.300 0.000 0.866 309 Q CB -0.782 27.215 28.738 -1.235 0.000 0.945 309 Q HN 0.553 nan 8.270 nan 0.000 0.414 310 M N 0.287 119.675 119.600 -0.353 0.000 2.086 310 M HA -0.175 4.307 4.480 0.004 0.000 0.261 310 M C 2.065 178.302 176.300 -0.105 0.000 1.067 310 M CA 1.374 56.562 55.300 -0.186 0.000 1.116 310 M CB -0.212 32.294 32.600 -0.157 0.000 1.348 310 M HN 0.183 nan 8.290 nan 0.000 0.407 311 L N 0.303 121.481 121.223 -0.074 0.000 1.991 311 L HA -0.307 4.035 4.340 0.004 0.000 0.221 311 L C 2.597 179.475 176.870 0.013 0.000 1.079 311 L CA 2.260 57.094 54.840 -0.010 0.000 0.778 311 L CB -0.910 41.175 42.059 0.043 0.000 0.893 311 L HN 0.468 nan 8.230 nan 0.000 0.437 312 E N -0.434 119.790 120.200 0.041 0.000 2.130 312 E HA -0.287 4.065 4.350 0.004 0.000 0.196 312 E C 2.204 178.820 176.600 0.027 0.000 0.998 312 E CA 1.500 57.942 56.400 0.071 0.000 0.806 312 E CB -0.095 29.694 29.700 0.147 0.000 0.738 312 E HN 0.231 nan 8.360 nan 0.000 0.459 313 M N -0.246 119.343 119.600 -0.019 0.000 2.144 313 M HA -0.153 4.330 4.480 0.004 0.000 0.260 313 M C 2.055 178.356 176.300 0.002 0.000 1.067 313 M CA 1.378 56.665 55.300 -0.021 0.000 1.095 313 M CB -0.494 32.077 32.600 -0.048 0.000 1.365 313 M HN 0.285 nan 8.290 nan 0.000 0.406 314 L N -1.412 119.814 121.223 0.005 0.000 2.375 314 L HA -0.104 4.238 4.340 0.004 0.000 0.215 314 L C 2.285 179.174 176.870 0.032 0.000 1.108 314 L CA 0.194 55.046 54.840 0.019 0.000 0.830 314 L CB -0.359 41.707 42.059 0.012 0.000 0.959 314 L HN 0.223 nan 8.230 nan 0.000 0.457 315 K N 0.712 121.134 120.400 0.037 0.000 2.071 315 K HA -0.227 4.095 4.320 0.004 0.000 0.217 315 K C -0.628 176.000 176.600 0.047 0.000 1.054 315 K CA 2.217 58.533 56.287 0.049 0.000 0.937 315 K CB -1.128 31.407 32.500 0.058 0.000 0.719 315 K HN 0.284 nan 8.250 nan 0.000 0.454 316 P HA -0.048 nan 4.420 nan 0.000 0.237 316 P C 0.898 178.213 177.300 0.025 0.000 1.178 316 P CA 0.948 64.065 63.100 0.029 0.000 0.766 316 P CB -0.052 31.661 31.700 0.023 0.000 0.876 317 C N -0.423 118.898 119.300 0.035 0.000 2.675 317 C HA -0.065 4.398 4.460 0.004 0.000 0.285 317 C C 2.780 177.798 174.990 0.047 0.000 1.282 317 C CA 0.290 59.331 59.018 0.040 0.000 1.708 317 C CB -1.419 26.357 27.740 0.060 0.000 2.134 317 C HN 0.084 nan 8.230 nan 0.000 0.494 318 V N 2.431 122.383 119.914 0.064 0.000 2.295 318 V HA -0.380 3.742 4.120 0.004 0.000 0.262 318 V C 2.428 178.573 176.094 0.086 0.000 1.098 318 V CA 2.628 64.979 62.300 0.084 0.000 1.095 318 V CB -1.018 30.858 31.823 0.088 0.000 0.704 318 V HN 0.673 nan 8.190 nan 0.000 0.454 319 E N -0.577 119.655 120.200 0.053 0.000 2.268 319 E HA -0.231 4.122 4.350 0.004 0.000 0.195 319 E C 1.592 178.124 176.600 -0.112 0.000 0.995 319 E CA 1.217 57.606 56.400 -0.018 0.000 0.836 319 E CB -0.318 29.376 29.700 -0.011 0.000 0.763 319 E HN 0.618 nan 8.360 nan 0.000 0.491 320 D N 0.114 120.482 120.400 -0.052 0.000 2.363 320 D HA -0.010 4.632 4.640 0.004 0.000 0.226 320 D C 1.479 177.744 176.300 -0.058 0.000 1.020 320 D CA 0.755 54.717 54.000 -0.062 0.000 0.892 320 D CB 0.096 40.884 40.800 -0.021 0.000 0.900 320 D HN 0.259 nan 8.370 nan 0.000 0.531 321 G N -0.521 108.254 108.800 -0.041 0.000 2.727 321 G HA2 -0.005 3.958 3.960 0.004 0.000 0.207 321 G HA3 -0.005 3.958 3.960 0.004 0.000 0.207 321 G C 0.392 175.314 174.900 0.037 0.000 1.060 321 G CA -0.360 44.743 45.100 0.005 0.000 0.814 321 G HN 0.268 nan 8.290 nan 0.000 0.576 322 F N 1.806 121.760 119.950 0.007 0.000 2.677 322 F HA 0.585 5.115 4.527 0.004 0.000 0.358 322 F C -0.051 175.741 175.800 -0.013 0.000 1.266 322 F CA -1.157 56.842 58.000 -0.001 0.000 1.262 322 F CB 0.287 39.287 39.000 0.000 0.000 1.684 322 F HN -0.137 nan 8.300 nan 0.000 0.671 323 V N 3.870 123.798 119.914 0.023 0.000 3.623 323 V HA 0.267 4.389 4.120 0.004 0.000 0.283 323 V C -0.016 176.069 176.094 -0.014 0.000 1.643 323 V CA -0.138 62.131 62.300 -0.052 0.000 1.121 323 V CB 0.116 31.850 31.823 -0.149 0.000 0.933 323 V HN 0.594 nan 8.190 nan 0.000 0.420 324 I N 1.114 121.711 120.570 0.044 0.000 2.630 324 I HA 0.282 4.454 4.170 0.004 0.000 0.279 324 I C -0.717 175.447 176.117 0.079 0.000 1.235 324 I CA 0.088 61.416 61.300 0.046 0.000 1.096 324 I CB 2.073 40.099 38.000 0.043 0.000 1.318 324 I HN 0.062 nan 8.210 nan 0.000 0.457 325 Q N 5.670 125.513 119.800 0.071 0.000 2.490 325 Q HA 0.252 4.595 4.340 0.004 0.000 0.397 325 Q C -1.472 174.555 176.000 0.045 0.000 0.937 325 Q CA -0.255 55.588 55.803 0.066 0.000 1.108 325 Q CB 0.374 29.150 28.738 0.064 0.000 1.336 325 Q HN 0.617 nan 8.270 nan 0.000 0.410 326 D N -1.312 119.115 120.400 0.044 0.000 2.521 326 D HA 0.081 4.723 4.640 0.004 0.000 0.195 326 D C 0.242 176.562 176.300 0.033 0.000 1.286 326 D CA -0.565 53.455 54.000 0.034 0.000 0.854 326 D CB 0.618 41.435 40.800 0.028 0.000 1.723 326 D HN 0.029 nan 8.370 nan 0.000 0.550 327 R N 1.607 122.125 120.500 0.029 0.000 2.398 327 R HA -0.305 4.038 4.340 0.004 0.000 0.233 327 R C 1.169 177.484 176.300 0.025 0.000 1.022 327 R CA 2.747 58.861 56.100 0.024 0.000 0.855 327 R CB -0.450 29.861 30.300 0.020 0.000 0.962 327 R HN 0.649 nan 8.270 nan 0.000 0.416 328 E N -1.149 119.067 120.200 0.027 0.000 2.274 328 E HA -0.076 4.277 4.350 0.004 0.000 0.194 328 E C 1.428 178.051 176.600 0.038 0.000 0.996 328 E CA 1.455 57.873 56.400 0.030 0.000 0.840 328 E CB 0.126 29.842 29.700 0.027 0.000 0.772 328 E HN 0.564 nan 8.360 nan 0.000 0.491 329 T N -2.327 112.251 114.554 0.040 0.000 3.054 329 T HA 0.430 4.783 4.350 0.004 0.000 0.255 329 T C 1.491 176.234 174.700 0.072 0.000 1.035 329 T CA 0.191 62.319 62.100 0.047 0.000 0.941 329 T CB 0.748 69.634 68.868 0.029 0.000 1.026 329 T HN 0.099 nan 8.240 nan 0.000 0.533 330 A N 1.953 124.813 122.820 0.066 0.000 1.862 330 A HA 0.316 4.639 4.320 0.004 0.000 0.211 330 A C 1.977 179.607 177.584 0.076 0.000 1.220 330 A CA 0.414 52.498 52.037 0.078 0.000 0.616 330 A CB -0.805 18.220 19.000 0.042 0.000 0.878 330 A HN 0.333 nan 8.150 nan 0.000 0.453 331 L N 0.814 122.061 121.223 0.041 0.000 2.189 331 L HA -0.182 4.160 4.340 0.004 0.000 0.214 331 L C 1.776 178.691 176.870 0.076 0.000 1.097 331 L CA 1.740 56.601 54.840 0.034 0.000 0.764 331 L CB -1.217 40.857 42.059 0.025 0.000 0.900 331 L HN 0.444 nan 8.230 nan 0.000 0.436 332 D N -0.734 119.722 120.400 0.094 0.000 2.062 332 D HA -0.277 4.365 4.640 0.004 0.000 0.249 332 D C 1.861 178.277 176.300 0.194 0.000 1.114 332 D CA 0.848 54.917 54.000 0.115 0.000 0.990 332 D CB -0.352 40.502 40.800 0.090 0.000 1.442 332 D HN 0.157 nan 8.370 nan 0.000 0.533 333 F N 0.428 120.385 119.950 0.010 0.000 2.208 333 F HA -0.228 4.301 4.527 0.004 0.000 0.291 333 F C 0.582 176.391 175.800 0.014 0.000 0.995 333 F CA 0.835 58.839 58.000 0.007 0.000 1.385 333 F CB -0.624 38.371 39.000 -0.007 0.000 1.136 333 F HN 0.104 nan 8.300 nan 0.000 0.545 334 I N 0.197 120.853 120.570 0.143 0.000 2.395 334 I HA 0.462 4.635 4.170 0.004 0.000 0.282 334 I C 0.669 176.863 176.117 0.129 0.000 1.107 334 I CA 0.130 61.442 61.300 0.020 0.000 1.210 334 I CB 0.059 38.026 38.000 -0.055 0.000 1.456 334 I HN 0.027 nan 8.210 nan 0.000 0.504 346 E N 1.684 121.903 120.200 0.032 0.000 2.718 346 E HA -0.395 3.957 4.350 0.004 0.000 0.279 346 E C 0.997 177.620 176.600 0.037 0.000 1.292 346 E CA 2.424 58.845 56.400 0.034 0.000 1.028 346 E CB -0.743 28.973 29.700 0.027 0.000 0.825 346 E HN 0.269 nan 8.360 nan 0.000 0.392 347 K N 0.863 121.280 120.400 0.027 0.000 2.031 347 K HA -0.090 4.233 4.320 0.004 0.000 0.205 347 K C 2.165 178.784 176.600 0.032 0.000 1.049 347 K CA 1.655 57.952 56.287 0.015 0.000 0.939 347 K CB -0.216 32.277 32.500 -0.011 0.000 0.717 347 K HN 0.318 nan 8.250 nan 0.000 0.438 348 R N 0.110 120.638 120.500 0.047 0.000 2.334 348 R HA 0.229 4.572 4.340 0.004 0.000 0.216 348 R C 1.376 177.768 176.300 0.153 0.000 0.905 348 R CA 0.160 56.323 56.100 0.105 0.000 1.064 348 R CB -0.173 30.178 30.300 0.085 0.000 1.046 348 R HN 0.000 nan 8.270 nan 0.000 0.508 349 I N 1.676 122.309 120.570 0.105 0.000 2.141 349 I HA -0.189 3.984 4.170 0.004 0.000 0.236 349 I C 2.418 178.600 176.117 0.108 0.000 1.071 349 I CA 1.306 62.662 61.300 0.093 0.000 1.345 349 I CB -0.503 37.535 38.000 0.063 0.000 1.066 349 I HN 0.074 nan 8.210 nan 0.000 0.406 350 Q N 0.083 119.945 119.800 0.103 0.000 1.880 350 Q HA -0.363 3.980 4.340 0.004 0.000 0.243 350 Q C 2.173 178.269 176.000 0.161 0.000 1.047 350 Q CA 2.443 58.312 55.803 0.110 0.000 0.893 350 Q CB -1.293 27.508 28.738 0.104 0.000 0.999 350 Q HN 0.474 nan 8.270 nan 0.000 0.419 351 Y N -0.449 119.874 120.300 0.038 0.000 2.292 351 Y HA -0.409 4.143 4.550 0.004 0.000 0.268 351 Y C 2.013 177.933 175.900 0.033 0.000 1.312 351 Y CA 2.762 60.890 58.100 0.047 0.000 1.096 351 Y CB -1.044 37.446 38.460 0.050 0.000 0.900 351 Y HN 0.283 nan 8.280 nan 0.000 0.528 352 A N -0.746 122.103 122.820 0.049 0.000 1.903 352 A HA -0.095 4.227 4.320 0.004 0.000 0.213 352 A C 2.176 179.726 177.584 -0.057 0.000 1.185 352 A CA 1.163 53.157 52.037 -0.072 0.000 0.628 352 A CB -0.556 18.423 19.000 -0.035 0.000 0.830 352 A HN 0.401 nan 8.150 nan 0.000 0.446 353 K N -0.299 120.098 120.400 -0.005 0.000 2.589 353 K HA -0.152 4.171 4.320 0.004 0.000 0.195 353 K C 0.356 176.958 176.600 0.003 0.000 1.040 353 K CA 1.163 57.450 56.287 0.000 0.000 0.950 353 K CB -0.066 32.448 32.500 0.024 0.000 0.781 353 K HN 0.506 nan 8.250 nan 0.000 0.486 354 D N 0.015 120.409 120.400 -0.010 0.000 2.805 354 D HA 0.005 4.647 4.640 0.004 0.000 0.271 354 D C 1.789 178.064 176.300 -0.041 0.000 1.166 354 D CA 0.407 54.404 54.000 -0.005 0.000 1.004 354 D CB -0.434 40.377 40.800 0.019 0.000 1.136 354 D HN 0.022 nan 8.370 nan 0.000 0.444 355 I N 1.514 122.011 120.570 -0.122 0.000 2.227 355 I HA -0.262 3.910 4.170 0.004 0.000 0.250 355 I C 1.458 177.559 176.117 -0.026 0.000 1.087 355 I CA 1.141 62.351 61.300 -0.150 0.000 1.352 355 I CB -0.332 37.512 38.000 -0.261 0.000 1.043 355 I HN -0.010 nan 8.210 nan 0.000 0.425 356 L N 0.007 121.201 121.223 -0.048 0.000 2.805 356 L HA 0.136 4.478 4.340 0.004 0.000 0.237 356 L C 1.120 178.051 176.870 0.101 0.000 1.252 356 L CA 0.271 55.093 54.840 -0.031 0.000 1.064 356 L CB -0.358 41.565 42.059 -0.227 0.000 1.361 356 L HN 0.394 nan 8.230 nan 0.000 0.474 357 Q N -1.246 118.617 119.800 0.105 0.000 2.340 357 Q HA 0.083 4.425 4.340 0.004 0.000 0.173 357 Q C 1.555 177.583 176.000 0.046 0.000 0.692 357 Q CA -0.263 55.589 55.803 0.081 0.000 0.904 357 Q CB 0.487 29.254 28.738 0.049 0.000 1.228 357 Q HN 0.177 nan 8.270 nan 0.000 0.387 358 K N 0.750 121.167 120.400 0.028 0.000 2.243 358 K HA 0.007 4.330 4.320 0.004 0.000 0.201 358 K C 0.615 177.223 176.600 0.014 0.000 1.051 358 K CA 1.076 57.375 56.287 0.021 0.000 0.970 358 K CB 0.462 32.990 32.500 0.047 0.000 0.755 358 K HN 0.216 nan 8.250 nan 0.000 0.465 359 E N -0.575 119.620 120.200 -0.008 0.000 2.702 359 E HA 0.034 4.386 4.350 0.004 0.000 0.225 359 E C -0.458 176.161 176.600 0.032 0.000 0.942 359 E CA -0.291 56.098 56.400 -0.019 0.000 1.210 359 E CB 0.084 29.688 29.700 -0.161 0.000 1.143 359 E HN 0.055 nan 8.360 nan 0.000 0.544 360 F N 2.818 122.731 119.950 -0.062 0.000 2.335 360 F HA 0.313 4.842 4.527 0.004 0.000 0.365 360 F C 0.057 175.853 175.800 -0.007 0.000 1.122 360 F CA -0.897 57.084 58.000 -0.033 0.000 1.151 360 F CB 0.256 39.223 39.000 -0.055 0.000 1.282 360 F HN -0.141 nan 8.300 nan 0.000 0.513 361 L N 7.005 127.915 121.223 -0.523 0.000 3.548 361 L HA -0.217 4.125 4.340 0.004 0.000 0.443 361 L C -1.780 174.907 176.870 -0.305 0.000 1.286 361 L CA 0.089 54.655 54.840 -0.457 0.000 0.863 361 L CB -2.073 39.502 42.059 -0.806 0.000 1.734 361 L HN 0.482 nan 8.230 nan 0.000 0.873 362 P HA -0.219 nan 4.420 nan 0.000 0.219 362 P C 1.006 178.290 177.300 -0.028 0.000 1.158 362 P CA 2.318 65.398 63.100 -0.034 0.000 0.895 362 P CB -0.179 31.525 31.700 0.006 0.000 0.792 363 H N -1.923 117.064 119.070 -0.138 0.000 2.503 363 H HA 0.040 4.599 4.556 0.004 0.000 0.375 363 H C 1.683 176.901 175.328 -0.182 0.000 1.801 363 H CA -0.074 55.891 56.048 -0.138 0.000 1.450 363 H CB -0.465 29.226 29.762 -0.118 0.000 1.601 363 H HN -0.075 nan 8.280 nan 0.000 0.581 364 I N -2.565 117.846 120.570 -0.266 0.000 4.653 364 I HA -0.355 3.817 4.170 0.004 0.000 0.046 364 I C 0.684 176.718 176.117 -0.138 0.000 0.625 364 I CA 2.114 63.222 61.300 -0.319 0.000 0.818 364 I CB -2.133 35.584 38.000 -0.473 0.000 0.750 364 I HN 0.907 nan 8.210 nan 0.000 0.157 365 T N -1.136 113.331 114.554 -0.145 0.000 2.786 365 T HA 0.217 4.569 4.350 0.004 0.000 0.301 365 T C -0.410 174.224 174.700 -0.110 0.000 1.846 365 T CA 0.085 62.102 62.100 -0.139 0.000 1.002 365 T CB 0.737 69.470 68.868 -0.225 0.000 1.986 365 T HN 0.380 nan 8.240 nan 0.000 0.527 366 Q N 0.232 119.959 119.800 -0.121 0.000 2.157 366 Q HA 0.363 4.706 4.340 0.004 0.000 0.235 366 Q C 0.776 176.734 176.000 -0.069 0.000 0.803 366 Q CA -0.133 55.624 55.803 -0.078 0.000 0.967 366 Q CB 0.468 29.151 28.738 -0.092 0.000 1.150 366 Q HN 0.507 nan 8.270 nan 0.000 0.482 367 L N 0.330 121.477 121.223 -0.127 0.000 2.240 367 L HA -0.015 4.328 4.340 0.004 0.000 0.166 367 L C 1.754 178.592 176.870 -0.054 0.000 0.893 367 L CA 0.453 55.218 54.840 -0.125 0.000 1.058 367 L CB -0.135 41.777 42.059 -0.244 0.000 1.371 367 L HN 0.043 nan 8.230 nan 0.000 0.480 368 E N 0.039 120.218 120.200 -0.035 0.000 2.013 368 E HA -0.024 4.328 4.350 0.004 0.000 0.196 368 E C 0.916 177.575 176.600 0.099 0.000 0.964 368 E CA 0.624 57.043 56.400 0.032 0.000 0.854 368 E CB -0.329 29.391 29.700 0.034 0.000 0.816 368 E HN 0.668 nan 8.360 nan 0.000 0.489 369 G N 0.485 109.385 108.800 0.167 0.000 3.161 369 G HA2 0.335 4.297 3.960 0.004 0.000 0.293 369 G HA3 0.335 4.297 3.960 0.004 0.000 0.293 369 G C -1.104 174.088 174.900 0.486 0.000 0.893 369 G CA -0.172 45.073 45.100 0.241 0.000 1.756 369 G HN 0.072 nan 8.290 nan 0.000 0.549 370 F N 0.547 120.495 119.950 -0.002 0.000 2.949 370 F HA 0.392 4.921 4.527 0.004 0.000 0.376 370 F C 0.352 176.161 175.800 0.014 0.000 1.205 370 F CA -1.212 56.781 58.000 -0.011 0.000 1.155 370 F CB 2.014 40.989 39.000 -0.041 0.000 1.495 370 F HN 0.328 nan 8.300 nan 0.000 0.551 371 E N 0.058 120.310 120.200 0.086 0.000 2.629 371 E HA 0.013 4.365 4.350 0.004 0.000 0.197 371 E C 1.985 178.619 176.600 0.057 0.000 0.955 371 E CA 0.897 57.341 56.400 0.074 0.000 1.191 371 E CB 0.041 29.766 29.700 0.042 0.000 1.175 371 E HN 0.289 nan 8.360 nan 0.000 0.501 372 S N 0.799 116.510 115.700 0.017 0.000 2.402 372 S HA -0.100 4.373 4.470 0.004 0.000 0.229 372 S C 1.952 176.645 174.600 0.155 0.000 1.021 372 S CA 0.723 58.946 58.200 0.038 0.000 0.974 372 S CB -0.055 63.180 63.200 0.059 0.000 0.800 372 S HN 0.024 nan 8.310 nan 0.000 0.484 373 R N 0.968 121.472 120.500 0.006 0.000 2.139 373 R HA -0.069 4.274 4.340 0.004 0.000 0.243 373 R C 2.137 178.487 176.300 0.084 0.000 1.145 373 R CA 1.631 57.689 56.100 -0.070 0.000 0.976 373 R CB -0.246 29.904 30.300 -0.251 0.000 0.866 373 R HN 0.565 nan 8.270 nan 0.000 0.449 374 K N -0.736 119.756 120.400 0.154 0.000 2.099 374 K HA 0.109 4.431 4.320 0.004 0.000 0.203 374 K C 2.170 179.022 176.600 0.419 0.000 1.047 374 K CA 0.703 57.153 56.287 0.272 0.000 0.963 374 K CB -0.184 32.526 32.500 0.350 0.000 0.759 374 K HN 0.032 nan 8.250 nan 0.000 0.451 375 A N 1.859 124.852 122.820 0.289 0.000 1.893 375 A HA -0.280 4.042 4.320 0.004 0.000 0.222 375 A C 2.011 179.905 177.584 0.516 0.000 1.309 375 A CA 1.977 54.190 52.037 0.293 0.000 0.681 375 A CB -1.359 17.573 19.000 -0.113 0.000 0.842 375 A HN 0.290 nan 8.150 nan 0.000 0.468 376 F N -1.886 118.312 119.950 0.413 0.000 2.111 376 F HA -0.279 4.251 4.527 0.004 0.000 0.300 376 F C 2.099 178.413 175.800 0.857 0.000 1.088 376 F CA 2.037 60.428 58.000 0.651 0.000 1.243 376 F CB -0.433 38.742 39.000 0.293 0.000 0.996 376 F HN 0.370 nan 8.300 nan 0.000 0.483 377 F N 0.298 120.701 119.950 0.754 0.000 2.014 377 F HA -0.221 4.308 4.527 0.004 0.000 0.295 377 F C 2.238 178.389 175.800 0.586 0.000 1.145 377 F CA 1.359 59.749 58.000 0.651 0.000 1.178 377 F CB -1.127 38.083 39.000 0.350 0.000 0.972 377 F HN -0.114 nan 8.300 nan 0.000 0.476 378 L N 0.822 122.355 121.223 0.517 0.000 2.211 378 L HA -0.157 4.185 4.340 0.004 0.000 0.216 378 L C 2.200 179.304 176.870 0.390 0.000 1.092 378 L CA 2.142 57.161 54.840 0.298 0.000 0.767 378 L CB -1.543 40.609 42.059 0.155 0.000 0.894 378 L HN 0.292 nan 8.230 nan 0.000 0.437 379 G N -2.056 107.132 108.800 0.646 0.000 2.404 379 G HA2 -0.330 3.632 3.960 0.004 0.000 0.214 379 G HA3 -0.330 3.632 3.960 0.004 0.000 0.214 379 G C 1.482 176.618 174.900 0.395 0.000 1.189 379 G CA 0.652 46.113 45.100 0.602 0.000 0.789 379 G HN 0.487 nan 8.290 nan 0.000 0.533 380 Y N 0.897 121.435 120.300 0.396 0.000 2.102 380 Y HA -0.245 4.308 4.550 0.004 0.000 0.280 380 Y C 2.913 178.812 175.900 -0.002 0.000 1.178 380 Y CA 2.269 60.497 58.100 0.213 0.000 1.146 380 Y CB -0.268 38.267 38.460 0.125 0.000 0.968 380 Y HN 0.172 nan 8.280 nan 0.000 0.504 381 M N -0.886 118.698 119.600 -0.027 0.000 2.065 381 M HA -0.289 4.194 4.480 0.004 0.000 0.259 381 M C 1.987 178.213 176.300 -0.123 0.000 1.071 381 M CA 1.872 57.080 55.300 -0.153 0.000 1.109 381 M CB -0.411 32.117 32.600 -0.120 0.000 1.313 381 M HN 0.272 nan 8.290 nan 0.000 0.408 382 I N 0.295 120.858 120.570 -0.012 0.000 2.248 382 I HA -0.325 3.848 4.170 0.004 0.000 0.248 382 I C 2.040 178.114 176.117 -0.071 0.000 1.107 382 I CA 1.701 63.003 61.300 0.003 0.000 1.373 382 I CB -1.967 36.097 38.000 0.107 0.000 1.055 382 I HN 0.463 nan 8.210 nan 0.000 0.418 383 N N 1.140 119.764 118.700 -0.127 0.000 2.069 383 N HA -0.203 4.539 4.740 0.004 0.000 0.191 383 N C 1.877 177.256 175.510 -0.218 0.000 1.031 383 N CA 1.454 54.384 53.050 -0.200 0.000 0.852 383 N CB 0.095 38.423 38.487 -0.266 0.000 1.018 383 N HN 0.141 nan 8.380 nan 0.000 0.423 384 R N 0.382 120.694 120.500 -0.314 0.000 2.090 384 R HA -0.010 4.333 4.340 0.004 0.000 0.228 384 R C 2.177 178.375 176.300 -0.170 0.000 1.110 384 R CA 0.487 56.423 56.100 -0.272 0.000 0.973 384 R CB -1.564 28.527 30.300 -0.348 0.000 0.869 384 R HN 0.377 nan 8.270 nan 0.000 0.440 385 L N 0.798 121.939 121.223 -0.137 0.000 2.187 385 L HA -0.091 4.251 4.340 0.004 0.000 0.213 385 L C 1.841 178.704 176.870 -0.011 0.000 1.100 385 L CA 1.487 56.290 54.840 -0.062 0.000 0.765 385 L CB -0.097 41.948 42.059 -0.022 0.000 0.904 385 L HN 0.071 nan 8.230 nan 0.000 0.437 386 L N -2.187 119.012 121.223 -0.039 0.000 2.298 386 L HA -0.050 4.292 4.340 0.004 0.000 0.209 386 L C 2.243 179.089 176.870 -0.039 0.000 1.084 386 L CA -0.166 54.661 54.840 -0.020 0.000 0.816 386 L CB -0.456 41.576 42.059 -0.044 0.000 0.967 386 L HN 0.207 nan 8.230 nan 0.000 0.460 387 L N 0.137 121.314 121.223 -0.077 0.000 2.042 387 L HA -0.280 4.063 4.340 0.004 0.000 0.210 387 L C 2.694 179.526 176.870 -0.064 0.000 1.076 387 L CA 1.654 56.447 54.840 -0.079 0.000 0.749 387 L CB -1.155 40.845 42.059 -0.099 0.000 0.893 387 L HN 0.417 nan 8.230 nan 0.000 0.432 388 C N -1.048 118.207 119.300 -0.075 0.000 2.448 388 C HA 0.071 4.533 4.460 0.004 0.000 0.280 388 C C 2.708 177.651 174.990 -0.078 0.000 1.398 388 C CA 0.608 59.560 59.018 -0.109 0.000 1.774 388 C CB -1.027 26.606 27.740 -0.179 0.000 1.888 388 C HN 0.516 nan 8.230 nan 0.000 0.519 389 A N -0.324 122.558 122.820 0.104 0.000 2.195 389 A HA 0.354 4.676 4.320 0.004 0.000 0.210 389 A C 1.547 179.217 177.584 0.144 0.000 1.165 389 A CA 0.526 52.764 52.037 0.334 0.000 0.806 389 A CB -0.262 18.936 19.000 0.331 0.000 0.847 389 A HN 0.618 nan 8.150 nan 0.000 0.482 390 L N -0.766 120.482 121.223 0.042 0.000 2.872 390 L HA 0.213 4.556 4.340 0.004 0.000 0.245 390 L C -0.366 176.498 176.870 -0.010 0.000 1.211 390 L CA -0.159 54.678 54.840 -0.006 0.000 1.013 390 L CB -0.439 41.584 42.059 -0.060 0.000 1.326 390 L HN 0.214 nan 8.230 nan 0.000 0.525 391 D N 0.601 121.004 120.400 0.005 0.000 2.845 391 D HA -0.224 4.418 4.640 0.004 0.000 0.229 391 D C 1.413 177.700 176.300 -0.021 0.000 1.170 391 D CA 0.696 54.691 54.000 -0.009 0.000 0.717 391 D CB -0.238 40.564 40.800 0.004 0.000 1.073 391 D HN 0.395 nan 8.370 nan 0.000 0.424 392 R N -0.490 119.991 120.500 -0.032 0.000 2.200 392 R HA 0.147 4.490 4.340 0.004 0.000 0.208 392 R C 0.456 176.737 176.300 -0.031 0.000 1.033 392 R CA 0.543 56.624 56.100 -0.032 0.000 1.000 392 R CB 0.308 30.584 30.300 -0.040 0.000 0.906 392 R HN 0.047 nan 8.270 nan 0.000 0.462 393 K N 0.494 120.870 120.400 -0.040 0.000 2.543 393 K HA 0.149 4.472 4.320 0.004 0.000 0.255 393 K C -1.437 175.133 176.600 -0.051 0.000 0.934 393 K CA -0.551 55.712 56.287 -0.041 0.000 0.810 393 K CB 2.146 34.619 32.500 -0.044 0.000 1.315 393 K HN -0.166 nan 8.250 nan 0.000 0.433 394 D N 1.952 122.329 120.400 -0.038 0.000 2.515 394 D HA -0.137 4.506 4.640 0.004 0.000 0.230 394 D C 0.052 176.328 176.300 -0.040 0.000 1.181 394 D CA 0.822 54.803 54.000 -0.032 0.000 0.875 394 D CB 0.706 41.499 40.800 -0.012 0.000 1.213 394 D HN 0.396 nan 8.370 nan 0.000 0.478 395 Q N 0.401 120.186 119.800 -0.025 0.000 2.471 395 Q HA 0.011 4.354 4.340 0.004 0.000 0.223 395 Q C -0.636 175.391 176.000 0.046 0.000 1.045 395 Q CA -0.260 55.544 55.803 0.002 0.000 0.956 395 Q CB 0.654 29.414 28.738 0.037 0.000 1.249 395 Q HN 0.279 nan 8.270 nan 0.000 0.549 396 D N 1.935 122.394 120.400 0.099 0.000 2.339 396 D HA 0.020 4.663 4.640 0.004 0.000 0.241 396 D C -0.953 175.482 176.300 0.226 0.000 1.183 396 D CA -0.041 54.026 54.000 0.111 0.000 0.859 396 D CB 0.728 41.518 40.800 -0.018 0.000 1.067 396 D HN 0.398 nan 8.370 nan 0.000 0.484 397 D N 2.480 122.960 120.400 0.133 0.000 2.422 397 D HA -0.046 4.596 4.640 0.004 0.000 0.263 397 D C 1.018 177.370 176.300 0.087 0.000 1.334 397 D CA 0.010 54.063 54.000 0.088 0.000 1.105 397 D CB 0.140 40.973 40.800 0.055 0.000 1.107 397 D HN 0.221 nan 8.370 nan 0.000 0.522 398 R N 1.670 122.226 120.500 0.092 0.000 2.417 398 R HA -0.100 4.243 4.340 0.004 0.000 0.220 398 R C 0.099 176.404 176.300 0.009 0.000 1.128 398 R CA 0.837 56.982 56.100 0.075 0.000 1.048 398 R CB 0.202 30.510 30.300 0.013 0.000 0.835 398 R HN 0.333 nan 8.270 nan 0.000 0.483 399 D N -0.675 119.678 120.400 -0.078 0.000 2.891 399 D HA 0.027 4.670 4.640 0.004 0.000 0.312 399 D C -0.711 175.384 176.300 -0.342 0.000 1.354 399 D CA -0.111 53.775 54.000 -0.190 0.000 0.838 399 D CB 0.315 40.946 40.800 -0.281 0.000 1.117 399 D HN 0.132 nan 8.370 nan 0.000 0.473 400 H N 0.656 119.626 119.070 -0.167 0.000 2.517 400 H HA 0.059 4.617 4.556 0.004 0.000 0.317 400 H C 0.526 175.911 175.328 0.095 0.000 1.080 400 H CA -0.551 55.460 56.048 -0.062 0.000 1.301 400 H CB 0.760 30.520 29.762 -0.002 0.000 1.425 400 H HN -0.029 nan 8.280 nan 0.000 0.471 401 F N 3.728 123.820 119.950 0.236 0.000 2.216 401 F HA -0.067 4.462 4.527 0.004 0.000 0.300 401 F C 2.273 178.141 175.800 0.113 0.000 1.085 401 F CA 1.599 59.712 58.000 0.189 0.000 1.326 401 F CB -0.593 38.567 39.000 0.268 0.000 1.027 401 F HN 0.747 nan 8.300 nan 0.000 0.497 402 G N -0.502 108.419 108.800 0.203 0.000 2.479 402 G HA2 -0.261 3.701 3.960 0.004 0.000 0.220 402 G HA3 -0.261 3.701 3.960 0.004 0.000 0.220 402 G C 1.245 175.984 174.900 -0.267 0.000 1.115 402 G CA 0.462 45.474 45.100 -0.147 0.000 0.757 402 G HN 0.314 nan 8.290 nan 0.000 0.560 403 K N 0.531 120.827 120.400 -0.174 0.000 3.109 403 K HA 0.284 4.606 4.320 0.004 0.000 0.214 403 K C -0.490 176.040 176.600 -0.117 0.000 1.196 403 K CA -0.084 56.106 56.287 -0.162 0.000 1.115 403 K CB 0.505 32.948 32.500 -0.095 0.000 1.103 403 K HN 0.239 nan 8.250 nan 0.000 0.467 404 K N 0.456 120.744 120.400 -0.186 0.000 2.575 404 K HA 0.475 4.797 4.320 0.004 0.000 0.279 404 K C -0.766 175.661 176.600 -0.289 0.000 0.969 404 K CA -1.234 54.943 56.287 -0.184 0.000 0.868 404 K CB 1.909 34.332 32.500 -0.128 0.000 1.457 404 K HN -0.111 nan 8.250 nan 0.000 0.426 405 R N 0.839 121.208 120.500 -0.217 0.000 2.888 405 R HA 0.589 4.931 4.340 0.004 0.000 0.264 405 R C -0.763 175.438 176.300 -0.166 0.000 1.045 405 R CA -0.976 54.998 56.100 -0.210 0.000 0.962 405 R CB 1.043 31.260 30.300 -0.139 0.000 1.210 405 R HN 0.533 nan 8.270 nan 0.000 0.479 406 L N 1.199 122.340 121.223 -0.137 0.000 2.341 406 L HA 0.368 4.710 4.340 0.004 0.000 0.278 406 L C -0.638 176.191 176.870 -0.067 0.000 1.005 406 L CA -0.839 53.950 54.840 -0.085 0.000 0.818 406 L CB 1.916 43.935 42.059 -0.067 0.000 1.259 406 L HN 0.308 nan 8.230 nan 0.000 0.418 407 D N 3.415 123.776 120.400 -0.064 0.000 2.428 407 D HA 0.326 4.969 4.640 0.004 0.000 0.221 407 D C -0.053 176.194 176.300 -0.088 0.000 1.123 407 D CA -0.284 53.677 54.000 -0.065 0.000 0.869 407 D CB 1.636 42.400 40.800 -0.059 0.000 1.032 407 D HN 0.075 nan 8.370 nan 0.000 0.506 408 L N 1.582 122.764 121.223 -0.069 0.000 2.543 408 L HA 0.364 4.707 4.340 0.004 0.000 0.231 408 L C 1.852 178.669 176.870 -0.088 0.000 1.194 408 L CA -0.040 54.755 54.840 -0.074 0.000 0.823 408 L CB 0.160 42.198 42.059 -0.036 0.000 1.374 408 L HN 0.404 nan 8.230 nan 0.000 0.507 409 A N 0.539 123.327 122.820 -0.054 0.000 1.917 409 A HA -0.125 4.197 4.320 0.004 0.000 0.219 409 A C 1.931 179.519 177.584 0.006 0.000 1.182 409 A CA 1.958 53.994 52.037 -0.002 0.000 0.633 409 A CB -1.496 17.597 19.000 0.155 0.000 0.819 409 A HN 0.889 nan 8.150 nan 0.000 0.448 410 G N 0.130 108.939 108.800 0.015 0.000 2.771 410 G HA2 -0.207 3.755 3.960 0.004 0.000 0.214 410 G HA3 -0.207 3.755 3.960 0.004 0.000 0.214 410 G C -0.369 174.353 174.900 -0.295 0.000 1.331 410 G CA 1.284 46.296 45.100 -0.147 0.000 0.812 410 G HN 0.437 nan 8.290 nan 0.000 0.628 411 P HA -0.089 nan 4.420 nan 0.000 0.221 411 P C 1.579 178.860 177.300 -0.032 0.000 1.140 411 P CA 0.912 63.970 63.100 -0.070 0.000 0.797 411 P CB -0.090 31.596 31.700 -0.024 0.000 0.756 412 L N -2.486 118.715 121.223 -0.036 0.000 2.189 412 L HA 0.006 4.348 4.340 0.004 0.000 0.199 412 L C 2.394 179.519 176.870 0.425 0.000 1.074 412 L CA 0.594 55.557 54.840 0.206 0.000 0.783 412 L CB -0.910 41.020 42.059 -0.214 0.000 0.955 412 L HN -0.142 nan 8.230 nan 0.000 0.460 413 L N 0.031 121.359 121.223 0.175 0.000 2.021 413 L HA -0.321 4.022 4.340 0.004 0.000 0.215 413 L C 2.861 179.678 176.870 -0.087 0.000 1.074 413 L CA 1.510 56.367 54.840 0.029 0.000 0.760 413 L CB -0.881 40.933 42.059 -0.409 0.000 0.889 413 L HN 0.348 nan 8.230 nan 0.000 0.433 414 A N -0.033 122.576 122.820 -0.352 0.000 1.873 414 A HA -0.282 4.040 4.320 0.004 0.000 0.218 414 A C 2.043 179.711 177.584 0.141 0.000 1.193 414 A CA 1.919 53.935 52.037 -0.035 0.000 0.629 414 A CB -0.662 18.305 19.000 -0.055 0.000 0.826 414 A HN 0.599 nan 8.150 nan 0.000 0.447 415 Q N -1.136 118.748 119.800 0.139 0.000 2.541 415 Q HA 0.140 4.483 4.340 0.004 0.000 0.215 415 Q C 1.430 177.480 176.000 0.084 0.000 0.977 415 Q CA 0.541 56.425 55.803 0.134 0.000 0.934 415 Q CB -0.137 28.703 28.738 0.169 0.000 0.988 415 Q HN 0.659 nan 8.270 nan 0.000 0.521 416 L N -1.720 119.550 121.223 0.078 0.000 2.526 416 L HA 0.074 4.416 4.340 0.004 0.000 0.210 416 L C 1.628 178.534 176.870 0.060 0.000 1.048 416 L CA 0.030 54.856 54.840 -0.024 0.000 0.852 416 L CB 0.041 42.001 42.059 -0.165 0.000 1.128 416 L HN 0.094 nan 8.230 nan 0.000 0.482 417 F N 1.208 121.187 119.950 0.048 0.000 2.095 417 F HA -0.229 4.301 4.527 0.004 0.000 0.298 417 F C 2.313 178.187 175.800 0.123 0.000 1.104 417 F CA 1.634 59.696 58.000 0.103 0.000 1.232 417 F CB -0.178 38.955 39.000 0.222 0.000 0.987 417 F HN -0.112 nan 8.300 nan 0.000 0.475 418 K N -0.425 119.976 120.400 0.003 0.000 1.971 418 K HA -0.220 4.102 4.320 0.004 0.000 0.221 418 K C 1.798 178.333 176.600 -0.109 0.000 1.050 418 K CA 2.664 58.929 56.287 -0.037 0.000 0.967 418 K CB -1.054 31.477 32.500 0.050 0.000 0.733 418 K HN 0.225 nan 8.250 nan 0.000 0.445 419 T N 1.594 116.109 114.554 -0.065 0.000 2.858 419 T HA -0.202 4.151 4.350 0.004 0.000 0.263 419 T C 1.736 176.358 174.700 -0.130 0.000 1.072 419 T CA 1.516 63.565 62.100 -0.085 0.000 1.141 419 T CB -0.233 68.597 68.868 -0.064 0.000 0.821 419 T HN 0.156 nan 8.240 nan 0.000 0.517 420 L N -1.692 119.427 121.223 -0.172 0.000 2.445 420 L HA 0.366 4.708 4.340 0.004 0.000 0.207 420 L C 1.964 178.684 176.870 -0.251 0.000 1.053 420 L CA 0.020 54.755 54.840 -0.175 0.000 0.841 420 L CB -0.361 41.625 42.059 -0.122 0.000 1.074 420 L HN 0.051 nan 8.230 nan 0.000 0.479 421 F N 1.495 121.121 119.950 -0.540 0.000 2.373 421 F HA -0.152 4.377 4.527 0.004 0.000 0.300 421 F C 2.156 177.742 175.800 -0.357 0.000 1.080 421 F CA 1.434 59.074 58.000 -0.599 0.000 1.417 421 F CB -0.182 38.225 39.000 -0.988 0.000 1.070 421 F HN -0.112 nan 8.300 nan 0.000 0.546 422 K N -0.168 119.980 120.400 -0.419 0.000 2.305 422 K HA -0.103 4.219 4.320 0.004 0.000 0.199 422 K C 2.070 178.488 176.600 -0.303 0.000 1.047 422 K CA 0.577 56.644 56.287 -0.366 0.000 0.976 422 K CB 0.092 32.477 32.500 -0.191 0.000 0.765 422 K HN 0.228 nan 8.250 nan 0.000 0.474 423 K N 1.360 121.608 120.400 -0.255 0.000 2.005 423 K HA -0.072 4.250 4.320 0.004 0.000 0.206 423 K C 2.195 178.689 176.600 -0.177 0.000 1.044 423 K CA 0.698 56.877 56.287 -0.179 0.000 0.942 423 K CB -0.096 32.322 32.500 -0.136 0.000 0.727 423 K HN 0.056 nan 8.250 nan 0.000 0.439 424 L N 0.612 121.714 121.223 -0.201 0.000 2.013 424 L HA -0.218 4.125 4.340 0.004 0.000 0.212 424 L C 2.152 178.910 176.870 -0.187 0.000 1.073 424 L CA 2.319 57.066 54.840 -0.154 0.000 0.753 424 L CB -1.170 40.812 42.059 -0.129 0.000 0.890 424 L HN 0.166 nan 8.230 nan 0.000 0.432 425 T N 0.049 114.365 114.554 -0.395 0.000 2.737 425 T HA -0.247 4.106 4.350 0.004 0.000 0.269 425 T C 1.610 176.266 174.700 -0.073 0.000 1.040 425 T CA 2.064 63.962 62.100 -0.337 0.000 1.142 425 T CB -0.244 68.237 68.868 -0.646 0.000 0.861 425 T HN 0.647 nan 8.240 nan 0.000 0.456 426 K N -0.315 120.031 120.400 -0.090 0.000 2.399 426 K HA 0.121 4.444 4.320 0.004 0.000 0.204 426 K C 0.583 177.194 176.600 0.018 0.000 1.023 426 K CA 0.145 56.428 56.287 -0.007 0.000 1.127 426 K CB 0.436 32.879 32.500 -0.095 0.000 0.856 426 K HN 0.156 nan 8.250 nan 0.000 0.514 427 D N 0.952 121.358 120.400 0.010 0.000 2.327 427 D HA 0.040 4.682 4.640 0.004 0.000 0.205 427 D C 1.639 177.984 176.300 0.076 0.000 0.989 427 D CA 0.352 54.369 54.000 0.028 0.000 0.873 427 D CB 0.453 41.258 40.800 0.009 0.000 0.955 427 D HN 0.208 nan 8.370 nan 0.000 0.515 428 I N 0.274 120.892 120.570 0.079 0.000 2.480 428 I HA -0.123 4.049 4.170 0.004 0.000 0.251 428 I C 2.045 178.264 176.117 0.171 0.000 1.124 428 I CA 0.489 61.849 61.300 0.100 0.000 1.444 428 I CB -0.836 37.210 38.000 0.077 0.000 1.098 428 I HN -0.091 nan 8.210 nan 0.000 0.428 429 F N 1.972 121.934 119.950 0.020 0.000 2.346 429 F HA -0.223 4.306 4.527 0.004 0.000 0.301 429 F C 2.179 178.003 175.800 0.041 0.000 1.070 429 F CA 1.328 59.344 58.000 0.026 0.000 1.407 429 F CB -0.047 38.958 39.000 0.008 0.000 1.072 429 F HN 0.059 nan 8.300 nan 0.000 0.543 430 R N -2.403 118.228 120.500 0.218 0.000 2.308 430 R HA 0.026 4.368 4.340 0.004 0.000 0.202 430 R C 1.590 178.004 176.300 0.190 0.000 0.898 430 R CA 0.478 56.679 56.100 0.167 0.000 1.046 430 R CB -0.562 29.810 30.300 0.120 0.000 1.026 430 R HN 0.472 nan 8.270 nan 0.000 0.512 431 Y N 1.227 121.555 120.300 0.047 0.000 2.144 431 Y HA -0.130 4.423 4.550 0.004 0.000 0.272 431 Y C 2.113 178.030 175.900 0.028 0.000 1.092 431 Y CA 1.286 59.406 58.100 0.033 0.000 1.080 431 Y CB -0.257 38.224 38.460 0.034 0.000 1.003 431 Y HN -0.153 nan 8.280 nan 0.000 0.477 432 M N 0.513 120.344 119.600 0.385 0.000 2.262 432 M HA -0.492 3.990 4.480 0.004 0.000 0.242 432 M C 1.966 178.312 176.300 0.077 0.000 1.111 432 M CA 2.451 57.860 55.300 0.182 0.000 1.033 432 M CB -0.227 32.447 32.600 0.123 0.000 1.367 432 M HN 0.630 nan 8.290 nan 0.000 0.391 433 Q N -0.948 118.908 119.800 0.092 0.000 2.137 433 Q HA -0.061 4.281 4.340 0.004 0.000 0.198 433 Q C 1.320 177.342 176.000 0.037 0.000 0.960 433 Q CA 1.147 56.994 55.803 0.073 0.000 0.847 433 Q CB 0.230 29.036 28.738 0.114 0.000 0.915 433 Q HN 0.489 nan 8.270 nan 0.000 0.448 434 R N -0.832 119.686 120.500 0.030 0.000 2.335 434 R HA 0.112 4.455 4.340 0.004 0.000 0.223 434 R C 1.316 177.580 176.300 -0.060 0.000 0.940 434 R CA 0.498 56.593 56.100 -0.009 0.000 1.086 434 R CB 0.380 30.678 30.300 -0.004 0.000 1.073 434 R HN 0.098 nan 8.270 nan 0.000 0.504 435 T N -0.301 114.215 114.554 -0.064 0.000 2.866 435 T HA -0.047 4.305 4.350 0.004 0.000 0.250 435 T C 1.633 176.291 174.700 -0.070 0.000 1.033 435 T CA 1.429 63.461 62.100 -0.114 0.000 1.145 435 T CB 0.096 68.914 68.868 -0.084 0.000 0.866 435 T HN 0.124 nan 8.240 nan 0.000 0.434 436 V N -1.096 118.795 119.914 -0.038 0.000 0.540 436 V HA -0.416 3.707 4.120 0.004 0.000 0.092 436 V C 0.870 176.947 176.094 -0.029 0.000 2.123 436 V CA 2.090 64.374 62.300 -0.027 0.000 3.520 436 V CB -2.110 29.699 31.823 -0.024 0.000 0.812 436 V HN 0.574 nan 8.190 nan 0.000 0.847 447 A N 2.121 124.707 122.820 -0.390 0.000 4.152 447 A HA -0.206 4.116 4.320 0.004 0.000 0.256 447 A C 0.537 177.945 177.584 -0.294 0.000 0.844 447 A CA 1.352 52.986 52.037 -0.672 0.000 1.324 447 A CB -1.784 15.965 19.000 -2.085 0.000 1.032 447 A HN 0.469 nan 8.150 nan 0.000 0.773 448 I N 1.289 121.756 120.570 -0.172 0.000 2.710 448 I HA 0.037 4.209 4.170 0.004 0.000 0.286 448 I C 0.991 177.120 176.117 0.019 0.000 1.181 448 I CA 0.799 62.079 61.300 -0.033 0.000 1.430 448 I CB 0.453 38.486 38.000 0.054 0.000 1.367 448 I HN 0.511 nan 8.210 nan 0.000 0.577 449 N N 5.509 124.224 118.700 0.024 0.000 2.714 449 N HA 0.219 4.961 4.740 0.004 0.000 0.298 449 N C 1.014 176.557 175.510 0.056 0.000 1.298 449 N CA 0.356 53.432 53.050 0.043 0.000 1.007 449 N CB 0.136 38.639 38.487 0.026 0.000 1.318 449 N HN 0.690 nan 8.380 nan 0.000 0.516 450 A N 2.000 124.879 122.820 0.098 0.000 1.779 450 A HA -0.449 3.873 4.320 0.004 0.000 0.327 450 A C 2.039 179.615 177.584 -0.014 0.000 4.078 450 A CA 2.464 54.538 52.037 0.062 0.000 1.006 450 A CB -1.535 17.662 19.000 0.328 0.000 0.657 450 A HN 0.654 nan 8.150 nan 0.000 0.491 451 K N -1.709 118.714 120.400 0.037 0.000 2.037 451 K HA -0.364 3.958 4.320 0.004 0.000 0.229 451 K C 1.809 178.405 176.600 -0.007 0.000 1.040 451 K CA 3.334 59.634 56.287 0.022 0.000 0.981 451 K CB -1.435 31.092 32.500 0.045 0.000 0.749 451 K HN 0.638 nan 8.250 nan 0.000 0.451 452 T N 1.673 116.221 114.554 -0.010 0.000 2.481 452 T HA -0.272 4.080 4.350 0.004 0.000 0.229 452 T C 1.989 176.669 174.700 -0.033 0.000 1.382 452 T CA 2.986 65.067 62.100 -0.031 0.000 1.082 452 T CB -0.512 68.331 68.868 -0.043 0.000 0.821 452 T HN 0.416 nan 8.240 nan 0.000 0.457 453 I N 0.471 121.027 120.570 -0.023 0.000 2.110 453 I HA -0.150 4.022 4.170 0.004 0.000 0.236 453 I C 2.679 178.794 176.117 -0.004 0.000 1.068 453 I CA 1.524 62.831 61.300 0.012 0.000 1.333 453 I CB -0.659 37.385 38.000 0.073 0.000 1.054 453 I HN 0.271 nan 8.210 nan 0.000 0.402 454 T N -0.243 114.280 114.554 -0.052 0.000 2.969 454 T HA -0.147 4.206 4.350 0.004 0.000 0.271 454 T C 1.716 176.404 174.700 -0.020 0.000 1.127 454 T CA 1.577 63.639 62.100 -0.063 0.000 1.102 454 T CB -0.304 68.512 68.868 -0.087 0.000 0.855 454 T HN 0.553 nan 8.240 nan 0.000 0.536 455 S N -0.513 115.182 115.700 -0.008 0.000 2.554 455 S HA 0.302 4.775 4.470 0.004 0.000 0.227 455 S C 2.163 176.768 174.600 0.008 0.000 1.050 455 S CA 0.461 58.667 58.200 0.009 0.000 0.927 455 S CB -0.043 63.163 63.200 0.011 0.000 0.859 455 S HN 0.383 nan 8.310 nan 0.000 0.494 456 G N 2.849 111.637 108.800 -0.020 0.000 2.414 456 G HA2 0.020 3.983 3.960 0.004 0.000 0.215 456 G HA3 0.020 3.983 3.960 0.004 0.000 0.215 456 G C 1.368 176.252 174.900 -0.026 0.000 1.188 456 G CA 0.873 45.946 45.100 -0.045 0.000 0.783 456 G HN 0.442 nan 8.290 nan 0.000 0.537 457 L N 0.111 121.316 121.223 -0.031 0.000 2.051 457 L HA -0.200 4.143 4.340 0.004 0.000 0.214 457 L C 2.994 179.842 176.870 -0.038 0.000 1.076 457 L CA 1.671 56.477 54.840 -0.058 0.000 0.758 457 L CB -0.369 41.672 42.059 -0.029 0.000 0.890 457 L HN 0.219 nan 8.230 nan 0.000 0.433 458 K N -0.973 119.433 120.400 0.010 0.000 2.026 458 K HA -0.249 4.074 4.320 0.004 0.000 0.208 458 K C 2.139 178.789 176.600 0.083 0.000 1.048 458 K CA 1.887 58.200 56.287 0.043 0.000 0.929 458 K CB -0.384 32.149 32.500 0.054 0.000 0.713 458 K HN 0.176 nan 8.250 nan 0.000 0.439 459 Y N 1.167 121.442 120.300 -0.041 0.000 2.128 459 Y HA -0.318 4.235 4.550 0.004 0.000 0.284 459 Y C 2.136 178.012 175.900 -0.040 0.000 1.154 459 Y CA 1.738 59.819 58.100 -0.033 0.000 1.149 459 Y CB -0.285 38.147 38.460 -0.047 0.000 0.976 459 Y HN 0.086 nan 8.280 nan 0.000 0.505 460 A N -0.176 122.684 122.820 0.066 0.000 1.855 460 A HA -0.169 4.154 4.320 0.004 0.000 0.215 460 A C 2.081 179.702 177.584 0.062 0.000 1.191 460 A CA 1.718 53.690 52.037 -0.110 0.000 0.613 460 A CB -1.220 17.373 19.000 -0.679 0.000 0.829 460 A HN 0.469 nan 8.150 nan 0.000 0.442 461 L N -0.497 120.774 121.223 0.081 0.000 2.187 461 L HA -0.127 4.216 4.340 0.004 0.000 0.213 461 L C 2.711 179.667 176.870 0.144 0.000 1.100 461 L CA 1.669 56.645 54.840 0.226 0.000 0.765 461 L CB -0.435 41.692 42.059 0.113 0.000 0.904 461 L HN 0.415 nan 8.230 nan 0.000 0.437 462 A N -2.652 120.195 122.820 0.045 0.000 2.030 462 A HA 0.025 4.347 4.320 0.004 0.000 0.215 462 A C 1.956 179.497 177.584 -0.071 0.000 1.164 462 A CA 1.530 53.566 52.037 -0.002 0.000 0.697 462 A CB -0.329 18.661 19.000 -0.017 0.000 0.827 462 A HN 0.412 nan 8.150 nan 0.000 0.457 463 T N -2.020 112.439 114.554 -0.160 0.000 3.555 463 T HA 0.487 4.839 4.350 0.004 0.000 0.201 463 T C 1.347 176.033 174.700 -0.024 0.000 0.850 463 T CA 0.783 62.777 62.100 -0.176 0.000 1.646 463 T CB 0.031 68.641 68.868 -0.429 0.000 1.774 463 T HN 0.842 nan 8.240 nan 0.000 0.447 464 G N 0.808 109.616 108.800 0.013 0.000 4.511 464 G HA2 -0.012 3.950 3.960 0.004 0.000 0.220 464 G HA3 -0.012 3.950 3.960 0.004 0.000 0.220 464 G C -0.320 174.672 174.900 0.153 0.000 0.733 464 G CA -0.536 44.633 45.100 0.116 0.000 0.897 464 G HN 0.298 nan 8.290 nan 0.000 0.691 465 N N 1.660 120.422 118.700 0.103 0.000 3.245 465 N HA 0.070 4.812 4.740 0.004 0.000 0.296 465 N C 0.053 175.676 175.510 0.188 0.000 1.254 465 N CA -0.529 52.607 53.050 0.143 0.000 1.190 465 N CB -0.013 38.566 38.487 0.153 0.000 1.460 465 N HN 0.463 nan 8.380 nan 0.000 0.538 466 W N 1.687 123.017 121.300 0.049 0.000 2.609 466 W HA 0.041 4.703 4.660 0.004 0.000 0.482 466 W C 0.288 176.843 176.519 0.061 0.000 0.964 466 W CA 0.585 57.960 57.345 0.050 0.000 1.700 466 W CB -0.393 29.085 29.460 0.030 0.000 1.478 466 W HN 0.520 nan 8.180 nan 0.000 0.403 467 G N 3.403 112.007 108.800 -0.326 0.000 2.587 467 G HA2 -0.121 3.842 3.960 0.004 0.000 0.216 467 G HA3 -0.121 3.842 3.960 0.004 0.000 0.216 467 G C -0.318 174.513 174.900 -0.115 0.000 1.124 467 G CA -0.446 44.495 45.100 -0.263 0.000 0.858 467 G HN 0.426 nan 8.290 nan 0.000 0.523 468 E N -0.855 119.284 120.200 -0.101 0.000 8.312 468 E HA -0.322 4.031 4.350 0.004 0.000 0.466 468 E C 1.698 178.226 176.600 -0.120 0.000 0.943 468 E CA 1.457 57.785 56.400 -0.119 0.000 1.639 468 E CB 0.317 29.920 29.700 -0.162 0.000 0.994 468 E HN 1.606 nan 8.360 nan 0.000 0.361 469 Q N 2.569 122.215 119.800 -0.257 0.000 2.643 469 Q HA -0.448 3.895 4.340 0.004 0.000 0.343 469 Q C 1.166 177.121 176.000 -0.074 0.000 0.795 469 Q CA 3.060 58.737 55.803 -0.210 0.000 1.005 469 Q CB -0.788 27.832 28.738 -0.197 0.000 1.081 469 Q HN 0.668 nan 8.270 nan 0.000 0.785 470 K N 1.994 122.360 120.400 -0.055 0.000 2.549 470 K HA -0.437 3.886 4.320 0.004 0.000 0.205 470 K C 1.344 177.950 176.600 0.010 0.000 0.985 470 K CA 2.910 59.185 56.287 -0.021 0.000 0.888 470 K CB -0.612 31.877 32.500 -0.018 0.000 1.087 470 K HN 0.768 nan 8.250 nan 0.000 0.511 471 K N -4.306 116.114 120.400 0.032 0.000 10.645 471 K HA -0.376 3.946 4.320 0.004 0.000 0.521 471 K C 1.115 177.748 176.600 0.056 0.000 0.402 471 K CA 2.240 58.569 56.287 0.069 0.000 1.938 471 K CB -2.056 30.483 32.500 0.066 0.000 0.754 471 K HN 0.313 nan 8.250 nan 0.000 1.186 472 A N 0.929 123.773 122.820 0.040 0.000 4.905 472 A HA -0.393 3.929 4.320 0.004 0.000 0.366 472 A C 1.281 178.895 177.584 0.050 0.000 1.613 472 A CA 3.457 55.516 52.037 0.036 0.000 0.721 472 A CB -1.820 17.194 19.000 0.024 0.000 1.500 472 A HN 0.874 nan 8.150 nan 0.000 0.431 473 M N 1.554 121.187 119.600 0.054 0.000 3.364 473 M HA -0.101 4.382 4.480 0.004 0.000 0.353 473 M C 0.993 177.347 176.300 0.090 0.000 1.817 473 M CA 0.741 56.086 55.300 0.074 0.000 1.564 473 M CB -0.879 31.763 32.600 0.069 0.000 1.730 473 M HN 0.625 nan 8.290 nan 0.000 0.487 474 S N -1.428 114.317 115.700 0.075 0.000 2.723 474 S HA -0.066 4.406 4.470 0.004 0.000 0.231 474 S C 1.805 176.456 174.600 0.084 0.000 0.967 474 S CA 0.396 58.637 58.200 0.069 0.000 0.958 474 S CB -0.477 62.755 63.200 0.054 0.000 0.778 474 S HN 0.835 nan 8.310 nan 0.000 0.537 475 S N 2.920 118.687 115.700 0.111 0.000 2.400 475 S HA -0.360 4.113 4.470 0.004 0.000 0.234 475 S C 1.517 176.195 174.600 0.130 0.000 1.049 475 S CA 1.542 59.834 58.200 0.153 0.000 1.039 475 S CB -0.678 62.671 63.200 0.249 0.000 0.856 475 S HN 0.581 nan 8.310 nan 0.000 0.465 476 R N 0.332 120.904 120.500 0.120 0.000 3.900 476 R HA -0.369 3.973 4.340 0.004 0.000 0.338 476 R C 1.952 178.301 176.300 0.080 0.000 1.241 476 R CA 1.175 57.329 56.100 0.090 0.000 1.477 476 R CB -2.247 28.092 30.300 0.065 0.000 1.974 476 R HN 0.735 nan 8.270 nan 0.000 0.577 477 A N 0.313 123.183 122.820 0.082 0.000 2.001 477 A HA -0.185 4.138 4.320 0.004 0.000 0.224 477 A C 1.665 179.276 177.584 0.045 0.000 1.203 477 A CA 2.326 54.391 52.037 0.047 0.000 0.667 477 A CB -0.985 18.024 19.000 0.014 0.000 0.823 477 A HN 1.113 nan 8.150 nan 0.000 0.473 478 G N -1.612 107.231 108.800 0.073 0.000 2.333 478 G HA2 -0.069 3.894 3.960 0.004 0.000 0.296 478 G HA3 -0.069 3.894 3.960 0.004 0.000 0.296 478 G C 0.032 174.961 174.900 0.047 0.000 1.059 478 G CA 0.107 45.246 45.100 0.065 0.000 1.050 478 G HN 1.218 nan 8.290 nan 0.000 0.508 479 V N -0.281 119.662 119.914 0.049 0.000 3.051 479 V HA 0.710 4.832 4.120 0.004 0.000 0.306 479 V C 1.288 177.384 176.094 0.004 0.000 1.083 479 V CA 0.568 62.824 62.300 -0.074 0.000 1.104 479 V CB 1.426 33.068 31.823 -0.302 0.000 1.027 479 V HN 2.298 nan 8.190 nan 0.000 0.483 480 S N 2.078 117.755 115.700 -0.039 0.000 3.392 480 S HA -0.120 4.353 4.470 0.004 0.000 0.693 480 S C -0.627 174.017 174.600 0.074 0.000 0.620 480 S CA 0.580 58.819 58.200 0.065 0.000 1.452 480 S CB -0.846 62.470 63.200 0.193 0.000 0.988 480 S HN 0.945 nan 8.310 nan 0.000 0.932 481 Q N 2.193 122.040 119.800 0.079 0.000 2.892 481 Q HA 0.695 5.038 4.340 0.004 0.000 0.307 481 Q C 0.455 176.528 176.000 0.121 0.000 1.039 481 Q CA -0.663 55.209 55.803 0.114 0.000 0.792 481 Q CB 1.483 30.341 28.738 0.200 0.000 1.504 481 Q HN 1.236 nan 8.270 nan 0.000 0.487 482 V N -0.078 119.896 119.914 0.100 0.000 2.847 482 V HA 0.285 4.407 4.120 0.004 0.000 0.364 482 V C 0.524 176.637 176.094 0.032 0.000 1.374 482 V CA -0.107 62.225 62.300 0.053 0.000 1.542 482 V CB -1.538 30.295 31.823 0.015 0.000 1.471 482 V HN 0.825 nan 8.190 nan 0.000 0.557 483 L N 0.310 121.612 121.223 0.131 0.000 6.641 483 L HA -0.337 4.005 4.340 0.004 0.000 0.053 483 L C 0.460 177.335 176.870 0.008 0.000 1.672 483 L CA 2.042 56.991 54.840 0.183 0.000 1.732 483 L CB -0.625 41.345 42.059 -0.148 0.000 2.658 483 L HN 0.907 nan 8.230 nan 0.000 1.033 484 N N -1.760 116.874 118.700 -0.110 0.000 3.545 484 N HA 0.499 5.242 4.740 0.004 0.000 0.227 484 N C -1.252 174.139 175.510 -0.198 0.000 1.380 484 N CA -0.486 52.453 53.050 -0.185 0.000 0.892 484 N CB 1.075 39.419 38.487 -0.238 0.000 1.441 484 N HN 0.441 nan 8.380 nan 0.000 0.497 485 R N 1.165 121.529 120.500 -0.226 0.000 2.418 485 R HA 0.145 4.488 4.340 0.004 0.000 0.218 485 R C -0.792 175.253 176.300 -0.425 0.000 1.151 485 R CA -0.124 55.733 56.100 -0.405 0.000 1.221 485 R CB -0.653 29.236 30.300 -0.686 0.000 1.366 485 R HN 0.583 nan 8.270 nan 0.000 0.767 486 Y N -0.496 119.665 120.300 -0.233 0.000 2.269 486 Y HA 0.285 4.837 4.550 0.004 0.000 0.294 486 Y C 0.383 176.285 175.900 0.004 0.000 1.120 486 Y CA 1.190 59.213 58.100 -0.127 0.000 1.159 486 Y CB 1.076 39.470 38.460 -0.109 0.000 1.024 486 Y HN -0.086 nan 8.280 nan 0.000 0.532 487 T N -0.914 113.748 114.554 0.180 0.000 2.956 487 T HA 0.105 4.458 4.350 0.004 0.000 0.312 487 T C -0.414 174.419 174.700 0.221 0.000 1.151 487 T CA -0.669 61.565 62.100 0.223 0.000 1.024 487 T CB 1.227 70.238 68.868 0.238 0.000 1.140 487 T HN 0.101 nan 8.240 nan 0.000 0.473 488 Y N 3.229 123.605 120.300 0.126 0.000 1.997 488 Y HA -0.289 4.264 4.550 0.004 0.000 0.265 488 Y C 2.778 178.727 175.900 0.082 0.000 1.193 488 Y CA 2.887 61.041 58.100 0.090 0.000 1.106 488 Y CB -0.758 37.723 38.460 0.035 0.000 0.940 488 Y HN 0.728 nan 8.280 nan 0.000 0.494 489 S N -0.945 114.847 115.700 0.153 0.000 2.488 489 S HA -0.207 4.265 4.470 0.004 0.000 0.246 489 S C 1.983 176.564 174.600 -0.032 0.000 0.992 489 S CA 1.481 59.698 58.200 0.029 0.000 0.963 489 S CB -1.057 62.233 63.200 0.149 0.000 0.754 489 S HN 0.621 nan 8.310 nan 0.000 0.519 490 S N 0.016 115.712 115.700 -0.006 0.000 2.470 490 S HA 0.040 4.513 4.470 0.004 0.000 0.222 490 S C 1.728 176.295 174.600 -0.055 0.000 1.024 490 S CA 0.683 58.867 58.200 -0.027 0.000 0.931 490 S CB -0.959 62.234 63.200 -0.011 0.000 0.791 490 S HN 0.473 nan 8.310 nan 0.000 0.513 491 T N 2.877 117.372 114.554 -0.098 0.000 2.951 491 T HA 0.232 4.584 4.350 0.004 0.000 0.268 491 T C 1.571 176.176 174.700 -0.159 0.000 1.073 491 T CA 0.949 62.975 62.100 -0.124 0.000 1.134 491 T CB -0.405 68.381 68.868 -0.136 0.000 0.884 491 T HN 0.289 nan 8.240 nan 0.000 0.479 492 L N 0.645 121.725 121.223 -0.237 0.000 1.948 492 L HA -0.118 4.224 4.340 0.004 0.000 0.212 492 L C 2.820 179.623 176.870 -0.112 0.000 1.074 492 L CA 1.363 56.079 54.840 -0.207 0.000 0.753 492 L CB -0.912 41.007 42.059 -0.233 0.000 0.888 492 L HN 0.225 nan 8.230 nan 0.000 0.432 493 S N -1.334 114.315 115.700 -0.084 0.000 2.400 493 S HA -0.337 4.136 4.470 0.004 0.000 0.234 493 S C 2.011 176.620 174.600 0.015 0.000 1.049 493 S CA 1.686 59.863 58.200 -0.039 0.000 1.039 493 S CB -0.572 62.608 63.200 -0.033 0.000 0.856 493 S HN 0.506 nan 8.310 nan 0.000 0.465 494 H N -0.455 118.552 119.070 -0.106 0.000 2.547 494 H HA 0.163 4.721 4.556 0.004 0.000 0.272 494 H C 1.815 177.086 175.328 -0.096 0.000 0.989 494 H CA 0.740 56.729 56.048 -0.098 0.000 1.214 494 H CB 0.095 29.792 29.762 -0.108 0.000 1.389 494 H HN 0.389 nan 8.280 nan 0.000 0.577 495 L N -0.206 120.938 121.223 -0.131 0.000 2.168 495 L HA 0.016 4.359 4.340 0.004 0.000 0.203 495 L C 1.852 178.638 176.870 -0.141 0.000 1.078 495 L CA 0.541 55.278 54.840 -0.172 0.000 0.780 495 L CB -0.006 41.981 42.059 -0.120 0.000 0.939 495 L HN 0.073 nan 8.230 nan 0.000 0.451 496 R N -0.067 120.373 120.500 -0.100 0.000 2.404 496 R HA 0.055 4.398 4.340 0.004 0.000 0.236 496 R C 0.537 176.793 176.300 -0.075 0.000 1.044 496 R CA -0.164 55.889 56.100 -0.080 0.000 1.133 496 R CB -0.058 30.205 30.300 -0.061 0.000 1.142 496 R HN 0.173 nan 8.270 nan 0.000 0.512 497 R N -0.224 120.222 120.500 -0.089 0.000 2.583 497 R HA 0.215 4.557 4.340 0.004 0.000 0.268 497 R C -0.475 175.786 176.300 -0.066 0.000 1.101 497 R CA 0.357 56.418 56.100 -0.064 0.000 1.180 497 R CB 0.983 31.260 30.300 -0.038 0.000 1.128 497 R HN -0.130 nan 8.270 nan 0.000 0.568 498 T N 1.005 115.533 114.554 -0.044 0.000 2.923 498 T HA 0.316 4.669 4.350 0.004 0.000 0.311 498 T C -1.634 173.054 174.700 -0.020 0.000 1.183 498 T CA -0.799 61.283 62.100 -0.031 0.000 1.020 498 T CB 1.391 70.254 68.868 -0.009 0.000 1.165 498 T HN 0.678 nan 8.240 nan 0.000 0.482 499 N N 0.597 119.287 118.700 -0.017 0.000 2.242 499 N HA 0.615 5.358 4.740 0.004 0.000 0.292 499 N C -1.774 173.739 175.510 0.005 0.000 1.125 499 N CA -0.474 52.572 53.050 -0.007 0.000 0.783 499 N CB 2.144 40.623 38.487 -0.013 0.000 1.558 499 N HN 0.447 nan 8.380 nan 0.000 0.472 500 T N 3.159 117.722 114.554 0.015 0.000 2.985 500 T HA 0.435 4.788 4.350 0.004 0.000 0.315 500 T C -2.521 172.193 174.700 0.023 0.000 1.001 500 T CA -0.708 61.408 62.100 0.027 0.000 1.016 500 T CB 1.518 70.413 68.868 0.046 0.000 0.993 500 T HN 0.542 nan 8.240 nan 0.000 0.454 501 P HA 0.423 nan 4.420 nan 0.000 0.273 501 P C 0.393 177.707 177.300 0.022 0.000 1.258 501 P CA -0.200 62.914 63.100 0.023 0.000 0.802 501 P CB 0.805 32.521 31.700 0.026 0.000 1.040 510 K N 1.530 121.907 120.400 -0.039 0.000 2.592 510 K HA 0.420 4.743 4.320 0.004 0.000 0.212 510 K C -2.416 174.178 176.600 -0.009 0.000 1.013 510 K CA -1.082 55.192 56.287 -0.021 0.000 1.034 510 K CB 2.156 34.647 32.500 -0.016 0.000 1.292 510 K HN 0.376 nan 8.250 nan 0.000 0.521 511 P HA -0.043 nan 4.420 nan 0.000 0.245 511 P C 0.231 177.560 177.300 0.048 0.000 1.206 511 P CA 0.352 63.469 63.100 0.028 0.000 0.781 511 P CB 0.470 32.190 31.700 0.034 0.000 0.994 512 R N -0.579 119.940 120.500 0.032 0.000 2.200 512 R HA 0.092 4.434 4.340 0.004 0.000 0.208 512 R C 0.953 177.277 176.300 0.040 0.000 1.033 512 R CA 0.063 56.181 56.100 0.030 0.000 1.000 512 R CB -0.580 29.728 30.300 0.014 0.000 0.906 512 R HN 0.203 nan 8.270 nan 0.000 0.462 513 Q N 1.814 121.638 119.800 0.041 0.000 2.274 513 Q HA 0.042 4.385 4.340 0.004 0.000 0.280 513 Q C -0.694 175.353 176.000 0.078 0.000 1.047 513 Q CA -0.072 55.757 55.803 0.043 0.000 0.907 513 Q CB 0.679 29.439 28.738 0.037 0.000 1.171 513 Q HN 0.056 nan 8.270 nan 0.000 0.381 514 L N 4.324 125.587 121.223 0.067 0.000 2.499 514 L HA 0.104 4.447 4.340 0.004 0.000 0.273 514 L C -0.954 175.944 176.870 0.046 0.000 1.195 514 L CA 0.708 55.617 54.840 0.116 0.000 0.882 514 L CB 0.161 42.255 42.059 0.058 0.000 1.133 514 L HN 0.682 nan 8.230 nan 0.000 0.483 515 H N 3.766 122.729 119.070 -0.179 0.000 2.495 515 H HA 0.398 4.957 4.556 0.004 0.000 0.348 515 H C 0.992 176.143 175.328 -0.295 0.000 1.113 515 H CA -0.263 55.578 56.048 -0.347 0.000 1.195 515 H CB 0.930 30.356 29.762 -0.561 0.000 1.521 515 H HN 0.775 nan 8.280 nan 0.000 0.509 516 N N 1.482 119.607 118.700 -0.957 0.000 2.106 516 N HA -0.280 4.463 4.740 0.004 0.000 0.200 516 N C 1.197 176.560 175.510 -0.244 0.000 1.014 516 N CA 2.669 55.387 53.050 -0.553 0.000 0.891 516 N CB -0.354 37.763 38.487 -0.616 0.000 1.069 516 N HN 0.785 nan 8.380 nan 0.000 0.490 517 T N -1.604 112.843 114.554 -0.178 0.000 3.155 517 T HA -0.059 4.294 4.350 0.004 0.000 0.264 517 T C 1.205 176.018 174.700 0.189 0.000 1.160 517 T CA 0.837 62.993 62.100 0.093 0.000 1.075 517 T CB -0.260 68.708 68.868 0.167 0.000 0.921 517 T HN 0.276 nan 8.240 nan 0.000 0.533 518 H N -0.550 118.540 119.070 0.034 0.000 2.535 518 H HA 0.128 4.686 4.556 0.004 0.000 0.273 518 H C 0.944 176.271 175.328 -0.003 0.000 0.983 518 H CA -0.575 55.395 56.048 -0.129 0.000 1.238 518 H CB -0.483 29.144 29.762 -0.225 0.000 1.412 518 H HN 0.572 nan 8.280 nan 0.000 0.562 519 W N 2.534 123.843 121.300 0.015 0.000 2.435 519 W HA 0.129 4.791 4.660 0.004 0.000 0.337 519 W C 0.836 177.343 176.519 -0.021 0.000 1.300 519 W CA 1.787 59.117 57.345 -0.026 0.000 1.298 519 W CB -0.118 29.308 29.460 -0.058 0.000 1.217 519 W HN 0.508 nan 8.180 nan 0.000 0.565 520 G N 3.893 112.327 108.800 -0.610 0.000 2.284 520 G HA2 -0.345 3.617 3.960 0.004 0.000 0.247 520 G HA3 -0.345 3.617 3.960 0.004 0.000 0.247 520 G C 0.643 175.413 174.900 -0.216 0.000 1.012 520 G CA 0.581 45.398 45.100 -0.471 0.000 0.618 520 G HN 0.604 nan 8.290 nan 0.000 0.521 521 L N -0.365 120.796 121.223 -0.104 0.000 2.577 521 L HA 0.496 4.838 4.340 0.004 0.000 0.225 521 L C 0.878 177.682 176.870 -0.110 0.000 1.053 521 L CA 0.128 54.932 54.840 -0.059 0.000 0.866 521 L CB 0.392 42.522 42.059 0.118 0.000 1.132 521 L HN 0.118 nan 8.230 nan 0.000 0.486 522 V N -0.685 119.116 119.914 -0.189 0.000 2.769 522 V HA 0.265 4.388 4.120 0.004 0.000 0.312 522 V C -0.485 175.479 176.094 -0.216 0.000 1.058 522 V CA -1.126 61.017 62.300 -0.262 0.000 0.952 522 V CB 2.604 34.102 31.823 -0.542 0.000 1.019 522 V HN 0.189 nan 8.190 nan 0.000 0.445 523 C N 6.259 125.449 119.300 -0.183 0.000 2.415 523 C HA 0.412 4.875 4.460 0.004 0.000 0.369 523 C C -0.238 174.671 174.990 -0.135 0.000 1.279 523 C CA -1.277 57.654 59.018 -0.146 0.000 1.886 523 C CB 0.686 28.359 27.740 -0.112 0.000 2.468 523 C HN 0.845 nan 8.230 nan 0.000 0.553 524 P HA -0.046 nan 4.420 nan 0.000 0.221 524 P C 0.894 178.155 177.300 -0.066 0.000 1.150 524 P CA 2.031 65.091 63.100 -0.067 0.000 0.800 524 P CB 0.230 31.902 31.700 -0.046 0.000 0.787 525 A N -0.100 122.675 122.820 -0.075 0.000 1.944 525 A HA 0.058 4.380 4.320 0.004 0.000 0.207 525 A C 1.315 178.848 177.584 -0.085 0.000 1.265 525 A CA -0.061 51.928 52.037 -0.080 0.000 0.712 525 A CB -0.856 18.099 19.000 -0.074 0.000 0.915 525 A HN 0.126 nan 8.150 nan 0.000 0.470 526 E N 1.107 121.258 120.200 -0.081 0.000 2.491 526 E HA 0.294 4.647 4.350 0.004 0.000 0.250 526 E C -0.468 176.090 176.600 -0.070 0.000 1.061 526 E CA 0.573 56.929 56.400 -0.072 0.000 0.942 526 E CB 0.024 29.682 29.700 -0.070 0.000 0.957 526 E HN 0.325 nan 8.360 nan 0.000 0.480 527 T N 4.408 118.927 114.554 -0.058 0.000 3.033 527 T HA 0.263 4.615 4.350 0.004 0.000 0.362 527 T C -2.916 171.766 174.700 -0.030 0.000 1.723 527 T CA -1.303 60.768 62.100 -0.048 0.000 1.110 527 T CB 1.278 70.112 68.868 -0.056 0.000 1.515 527 T HN 0.306 nan 8.240 nan 0.000 0.484 528 P HA 0.354 nan 4.420 nan 0.000 0.275 528 P C -0.663 176.642 177.300 0.008 0.000 1.228 528 P CA -0.260 62.839 63.100 -0.002 0.000 0.786 528 P CB 0.662 32.359 31.700 -0.006 0.000 0.927 529 E N 0.723 120.943 120.200 0.034 0.000 2.349 529 E HA 0.389 4.741 4.350 0.004 0.000 0.265 529 E C 1.153 177.775 176.600 0.035 0.000 1.064 529 E CA -0.494 55.941 56.400 0.058 0.000 0.886 529 E CB 0.079 29.852 29.700 0.123 0.000 1.036 529 E HN 0.708 nan 8.360 nan 0.000 0.413 530 G N 2.082 110.903 108.800 0.034 0.000 2.672 530 G HA2 -0.512 3.451 3.960 0.004 0.000 0.324 530 G HA3 -0.512 3.451 3.960 0.004 0.000 0.324 530 G C 0.889 175.796 174.900 0.010 0.000 1.286 530 G CA 1.078 46.190 45.100 0.020 0.000 1.004 530 G HN 0.802 nan 8.290 nan 0.000 0.548 531 Q N -1.275 118.529 119.800 0.007 0.000 2.440 531 Q HA -0.364 3.979 4.340 0.004 0.000 0.228 531 Q C 2.381 178.384 176.000 0.004 0.000 1.100 531 Q CA 3.345 59.151 55.803 0.004 0.000 0.991 531 Q CB -1.076 27.663 28.738 0.002 0.000 1.027 531 Q HN 1.881 nan 8.270 nan 0.000 0.528 532 A N -0.349 122.473 122.820 0.003 0.000 2.574 532 A HA 0.267 4.589 4.320 0.004 0.000 0.283 532 A C 0.128 177.712 177.584 0.001 0.000 1.270 532 A CA -0.452 51.586 52.037 0.003 0.000 0.945 532 A CB 0.166 19.167 19.000 0.002 0.000 1.127 532 A HN 0.526 nan 8.150 nan 0.000 0.522 533 C N 0.516 119.817 119.300 0.001 0.000 2.465 533 C HA 0.334 4.797 4.460 0.004 0.000 0.402 533 C C 2.034 177.021 174.990 -0.004 0.000 1.448 533 C CA 1.761 60.777 59.018 -0.003 0.000 1.589 533 C CB -1.492 26.248 27.740 -0.000 0.000 2.535 533 C HN 1.703 nan 8.230 nan 0.000 0.600 534 G N 4.713 113.506 108.800 -0.013 0.000 2.205 534 G HA2 -0.287 3.675 3.960 0.004 0.000 0.269 534 G HA3 -0.287 3.675 3.960 0.004 0.000 0.269 534 G C 0.655 175.555 174.900 -0.002 0.000 0.977 534 G CA 0.906 46.000 45.100 -0.010 0.000 0.652 534 G HN 0.794 nan 8.290 nan 0.000 0.539 535 L N -0.584 120.639 121.223 -0.001 0.000 2.130 535 L HA 0.160 4.502 4.340 0.004 0.000 0.200 535 L C 1.617 178.486 176.870 -0.001 0.000 1.075 535 L CA 0.666 55.511 54.840 0.008 0.000 0.768 535 L CB -0.404 41.660 42.059 0.009 0.000 0.933 535 L HN 0.149 nan 8.230 nan 0.000 0.451 536 V N 1.460 121.367 119.914 -0.011 0.000 2.649 536 V HA 0.197 4.320 4.120 0.004 0.000 0.292 536 V C -0.101 175.968 176.094 -0.042 0.000 1.055 536 V CA -0.270 62.020 62.300 -0.017 0.000 1.023 536 V CB 1.171 32.988 31.823 -0.010 0.000 0.992 536 V HN 0.278 nan 8.190 nan 0.000 0.480 537 K N 3.017 123.385 120.400 -0.053 0.000 2.536 537 K HA 0.499 4.822 4.320 0.004 0.000 0.269 537 K C -1.364 175.189 176.600 -0.079 0.000 0.965 537 K CA -0.863 55.368 56.287 -0.092 0.000 0.860 537 K CB 2.155 34.552 32.500 -0.171 0.000 1.423 537 K HN 0.463 nan 8.250 nan 0.000 0.438 538 N N 1.446 120.088 118.700 -0.096 0.000 2.361 538 N HA 0.444 5.187 4.740 0.004 0.000 0.302 538 N C -0.688 174.764 175.510 -0.097 0.000 1.074 538 N CA -0.551 52.451 53.050 -0.080 0.000 0.850 538 N CB 1.575 40.020 38.487 -0.070 0.000 1.228 538 N HN 0.412 nan 8.380 nan 0.000 0.491 539 L N 0.403 121.580 121.223 -0.078 0.000 2.379 539 L HA 0.516 4.859 4.340 0.004 0.000 0.269 539 L C 0.850 177.674 176.870 -0.077 0.000 1.084 539 L CA -0.858 53.932 54.840 -0.082 0.000 0.802 539 L CB 0.742 42.762 42.059 -0.065 0.000 1.175 539 L HN 0.294 nan 8.230 nan 0.000 0.448 540 S N 0.976 116.617 115.700 -0.097 0.000 2.589 540 S HA 0.249 4.722 4.470 0.004 0.000 0.265 540 S C 1.408 175.979 174.600 -0.049 0.000 1.342 540 S CA -0.741 57.402 58.200 -0.094 0.000 1.005 540 S CB 0.891 63.998 63.200 -0.154 0.000 0.909 540 S HN 0.536 nan 8.310 nan 0.000 0.555 541 L N 0.543 121.770 121.223 0.006 0.000 1.971 541 L HA -0.158 4.185 4.340 0.004 0.000 0.215 541 L C 2.246 179.140 176.870 0.040 0.000 1.072 541 L CA 1.558 56.491 54.840 0.154 0.000 0.758 541 L CB -0.510 41.726 42.059 0.294 0.000 0.889 541 L HN 0.675 nan 8.230 nan 0.000 0.433 542 M N 0.155 119.621 119.600 -0.222 0.000 2.659 542 M HA 0.021 4.504 4.480 0.004 0.000 0.243 542 M C 1.002 177.051 176.300 -0.419 0.000 1.111 542 M CA 0.036 55.014 55.300 -0.537 0.000 1.070 542 M CB -0.473 31.629 32.600 -0.831 0.000 1.525 542 M HN 0.303 nan 8.290 nan 0.000 0.517 543 S N -0.458 115.084 115.700 -0.264 0.000 2.593 543 S HA 0.370 4.843 4.470 0.004 0.000 0.269 543 S C 0.027 174.427 174.600 -0.334 0.000 1.334 543 S CA -0.800 57.219 58.200 -0.301 0.000 1.015 543 S CB 1.333 64.419 63.200 -0.191 0.000 0.912 543 S HN 0.386 nan 8.310 nan 0.000 0.541 544 C N 0.592 119.543 119.300 -0.581 0.000 3.335 544 C HA 0.783 5.246 4.460 0.004 0.000 0.356 544 C C -1.156 173.499 174.990 -0.558 0.000 1.570 544 C CA -0.776 57.904 59.018 -0.564 0.000 1.271 544 C CB 0.919 28.235 27.740 -0.706 0.000 1.873 544 C HN 0.916 nan 8.230 nan 0.000 0.439 545 I N 0.996 121.488 120.570 -0.132 0.000 2.644 545 I HA 0.347 4.520 4.170 0.004 0.000 0.291 545 I C 0.291 176.661 176.117 0.421 0.000 1.180 545 I CA 0.098 61.511 61.300 0.189 0.000 1.040 545 I CB 1.974 40.007 38.000 0.055 0.000 1.255 545 I HN 0.752 nan 8.210 nan 0.000 0.422 546 S N 3.878 119.836 115.700 0.430 0.000 2.571 546 S HA 0.091 4.563 4.470 0.004 0.000 0.298 546 S C 0.546 175.210 174.600 0.107 0.000 1.280 546 S CA -0.071 58.227 58.200 0.163 0.000 1.052 546 S CB 0.933 64.153 63.200 0.035 0.000 0.799 546 S HN 0.591 nan 8.310 nan 0.000 0.501 547 V N 2.721 122.675 119.914 0.067 0.000 3.484 547 V HA 0.520 4.643 4.120 0.004 0.000 0.252 547 V C 0.989 177.095 176.094 0.020 0.000 1.282 547 V CA 0.994 63.318 62.300 0.040 0.000 1.104 547 V CB -0.177 31.664 31.823 0.030 0.000 0.868 547 V HN 1.774 nan 8.190 nan 0.000 0.457 548 G N 0.745 109.553 108.800 0.015 0.000 3.444 548 G HA2 -0.057 3.905 3.960 0.004 0.000 0.685 548 G HA3 -0.057 3.905 3.960 0.004 0.000 0.685 548 G C -0.375 174.538 174.900 0.021 0.000 1.145 548 G CA -0.160 44.951 45.100 0.019 0.000 0.973 548 G HN 0.328 nan 8.290 nan 0.000 0.525 549 T N 0.969 115.535 114.554 0.021 0.000 2.898 549 T HA 0.694 5.047 4.350 0.004 0.000 0.283 549 T C -0.378 174.346 174.700 0.040 0.000 1.059 549 T CA -0.174 61.942 62.100 0.027 0.000 0.958 549 T CB 1.255 70.126 68.868 0.004 0.000 1.594 549 T HN 0.656 nan 8.240 nan 0.000 0.598 550 D N 0.334 120.754 120.400 0.034 0.000 2.308 550 D HA 0.416 5.059 4.640 0.004 0.000 0.242 550 D C -1.770 174.537 176.300 0.012 0.000 1.059 550 D CA -2.425 51.593 54.000 0.030 0.000 0.830 550 D CB 1.772 42.590 40.800 0.031 0.000 1.161 550 D HN -0.031 nan 8.370 nan 0.000 0.494 551 P HA -0.132 nan 4.420 nan 0.000 0.214 551 P C 1.694 178.975 177.300 -0.032 0.000 1.162 551 P CA 1.633 64.732 63.100 -0.003 0.000 0.879 551 P CB 0.007 31.726 31.700 0.031 0.000 0.786 552 M N -0.078 119.514 119.600 -0.014 0.000 2.088 552 M HA -0.126 4.357 4.480 0.004 0.000 0.256 552 M C -0.472 175.818 176.300 -0.016 0.000 1.071 552 M CA 2.666 57.954 55.300 -0.020 0.000 1.097 552 M CB -2.997 29.603 32.600 0.000 0.000 1.315 552 M HN -0.000 nan 8.290 nan 0.000 0.406 553 P HA -0.156 nan 4.420 nan 0.000 0.220 553 P C 1.552 178.870 177.300 0.029 0.000 1.144 553 P CA 1.399 64.508 63.100 0.015 0.000 0.800 553 P CB -0.245 31.462 31.700 0.012 0.000 0.772 554 I N -0.340 120.218 120.570 -0.020 0.000 2.260 554 I HA -0.122 4.051 4.170 0.004 0.000 0.237 554 I C 2.525 178.621 176.117 -0.035 0.000 1.075 554 I CA 0.585 61.856 61.300 -0.049 0.000 1.376 554 I CB -1.252 36.675 38.000 -0.122 0.000 1.107 554 I HN -0.153 nan 8.210 nan 0.000 0.420 555 I N 0.952 121.448 120.570 -0.123 0.000 2.141 555 I HA -0.426 3.746 4.170 0.004 0.000 0.243 555 I C 2.611 178.675 176.117 -0.088 0.000 1.035 555 I CA 1.889 63.058 61.300 -0.218 0.000 1.302 555 I CB -1.876 35.972 38.000 -0.254 0.000 1.006 555 I HN 0.250 nan 8.210 nan 0.000 0.413 556 T N 0.434 114.975 114.554 -0.022 0.000 2.580 556 T HA -0.264 4.089 4.350 0.004 0.000 0.265 556 T C 1.816 176.557 174.700 0.068 0.000 1.063 556 T CA 1.981 64.092 62.100 0.018 0.000 1.170 556 T CB -0.558 68.327 68.868 0.027 0.000 0.863 556 T HN 0.346 nan 8.240 nan 0.000 0.418 557 F N 1.042 120.966 119.950 -0.044 0.000 2.111 557 F HA -0.201 4.328 4.527 0.004 0.000 0.300 557 F C 2.058 177.847 175.800 -0.018 0.000 1.088 557 F CA 1.400 59.385 58.000 -0.026 0.000 1.243 557 F CB -0.280 38.646 39.000 -0.123 0.000 0.996 557 F HN 0.141 nan 8.300 nan 0.000 0.483 558 L N -0.015 121.383 121.223 0.292 0.000 1.989 558 L HA -0.267 4.076 4.340 0.004 0.000 0.211 558 L C 2.641 179.537 176.870 0.043 0.000 1.071 558 L CA 1.782 56.704 54.840 0.137 0.000 0.749 558 L CB -0.854 41.181 42.059 -0.039 0.000 0.890 558 L HN 0.327 nan 8.230 nan 0.000 0.431 559 S N -1.494 114.207 115.700 0.001 0.000 2.660 559 S HA -0.076 4.397 4.470 0.004 0.000 0.228 559 S C 1.041 175.633 174.600 -0.014 0.000 0.966 559 S CA 0.473 58.659 58.200 -0.024 0.000 0.940 559 S CB -0.253 62.928 63.200 -0.032 0.000 0.773 559 S HN 0.463 nan 8.310 nan 0.000 0.535 560 E N -0.617 119.592 120.200 0.016 0.000 2.789 560 E HA 0.206 4.559 4.350 0.004 0.000 0.208 560 E C -1.259 175.355 176.600 0.023 0.000 0.988 560 E CA -0.236 56.150 56.400 -0.023 0.000 1.092 560 E CB 0.407 30.070 29.700 -0.062 0.000 1.066 560 E HN 0.698 nan 8.360 nan 0.000 0.465 561 W N -0.030 121.158 121.300 -0.186 0.000 0.586 561 W HA 0.258 4.921 4.660 0.004 0.000 0.259 561 W C 0.603 177.077 176.519 -0.076 0.000 0.755 561 W CA 0.066 57.338 57.345 -0.122 0.000 1.324 561 W CB 0.707 30.121 29.460 -0.077 0.000 0.943 561 W HN 0.260 nan 8.180 nan 0.000 0.439 562 G N 1.131 109.978 108.800 0.078 0.000 2.952 562 G HA2 -0.209 3.753 3.960 0.004 0.000 0.226 562 G HA3 -0.209 3.753 3.960 0.004 0.000 0.226 562 G C 0.524 175.389 174.900 -0.058 0.000 1.462 562 G CA 0.198 45.376 45.100 0.131 0.000 1.157 562 G HN 0.779 nan 8.290 nan 0.000 0.544 563 M N 1.593 120.996 119.600 -0.327 0.000 2.176 563 M HA -0.132 4.351 4.480 0.004 0.000 0.186 563 M C -0.004 176.249 176.300 -0.079 0.000 0.619 563 M CA 1.837 57.021 55.300 -0.193 0.000 0.438 563 M CB -1.665 30.805 32.600 -0.217 0.000 1.020 563 M HN 0.569 nan 8.290 nan 0.000 0.920 564 E N 2.782 122.973 120.200 -0.015 0.000 2.558 564 E HA 0.062 4.414 4.350 0.004 0.000 0.255 564 E C -1.962 174.555 176.600 -0.138 0.000 0.968 564 E CA -0.802 55.570 56.400 -0.048 0.000 0.939 564 E CB -0.091 29.604 29.700 -0.008 0.000 0.921 564 E HN 0.465 nan 8.360 nan 0.000 0.477 565 P HA -0.062 nan 4.420 nan 0.000 0.272 565 P C 0.549 177.637 177.300 -0.353 0.000 1.240 565 P CA -0.351 62.616 63.100 -0.222 0.000 0.791 565 P CB 0.869 32.474 31.700 -0.157 0.000 0.978 566 L N 1.402 122.307 121.223 -0.531 0.000 1.933 566 L HA -0.268 4.074 4.340 0.004 0.000 0.220 566 L C 2.624 179.189 176.870 -0.509 0.000 1.078 566 L CA 2.254 56.612 54.840 -0.803 0.000 0.773 566 L CB -1.300 40.229 42.059 -0.885 0.000 0.890 566 L HN 0.484 nan 8.230 nan 0.000 0.434 567 E N -0.610 119.395 120.200 -0.326 0.000 2.082 567 E HA -0.310 4.043 4.350 0.004 0.000 0.215 567 E C 1.008 177.591 176.600 -0.028 0.000 1.048 567 E CA 1.975 58.297 56.400 -0.130 0.000 0.869 567 E CB -1.445 28.144 29.700 -0.186 0.000 0.773 567 E HN 0.511 nan 8.360 nan 0.000 0.466 568 D N 0.661 121.019 120.400 -0.069 0.000 2.911 568 D HA 0.031 4.674 4.640 0.004 0.000 0.233 568 D C -0.796 175.523 176.300 0.032 0.000 1.134 568 D CA 0.260 54.252 54.000 -0.014 0.000 1.011 568 D CB -1.050 39.730 40.800 -0.034 0.000 1.174 568 D HN 0.144 nan 8.370 nan 0.000 0.440 569 Y N 0.402 120.625 120.300 -0.128 0.000 2.360 569 Y HA 0.406 4.958 4.550 0.004 0.000 0.337 569 Y C -0.389 175.530 175.900 0.031 0.000 1.039 569 Y CA -1.720 56.273 58.100 -0.178 0.000 1.109 569 Y CB 1.346 39.437 38.460 -0.615 0.000 1.201 569 Y HN -0.120 nan 8.280 nan 0.000 0.458 570 V N 6.725 126.362 119.914 -0.462 0.000 2.465 570 V HA 0.317 4.440 4.120 0.004 0.000 0.263 570 V C -2.161 173.449 176.094 -0.807 0.000 0.981 570 V CA -1.417 60.580 62.300 -0.506 0.000 0.838 570 V CB 0.914 32.547 31.823 -0.317 0.000 1.068 570 V HN 0.683 nan 8.190 nan 0.000 0.458 571 P HA -0.274 nan 4.420 nan 0.000 0.216 571 P C 1.454 178.630 177.300 -0.208 0.000 1.154 571 P CA 2.329 65.001 63.100 -0.712 0.000 0.865 571 P CB -0.019 31.509 31.700 -0.286 0.000 0.789 572 H N 0.166 119.137 119.070 -0.165 0.000 2.495 572 H HA -0.015 4.544 4.556 0.004 0.000 0.287 572 H C 1.565 176.862 175.328 -0.052 0.000 1.033 572 H CA 0.882 56.889 56.048 -0.067 0.000 1.307 572 H CB -0.137 29.590 29.762 -0.057 0.000 1.401 572 H HN 0.262 nan 8.280 nan 0.000 0.555 573 Q N 1.379 120.854 119.800 -0.541 0.000 2.172 573 Q HA 0.159 4.501 4.340 0.004 0.000 0.217 573 Q C -0.710 175.200 176.000 -0.150 0.000 0.832 573 Q CA -0.163 55.443 55.803 -0.329 0.000 1.010 573 Q CB 0.740 29.186 28.738 -0.487 0.000 1.133 573 Q HN 0.364 nan 8.270 nan 0.000 0.489 574 S N 0.427 116.064 115.700 -0.104 0.000 2.849 574 S HA 0.252 4.724 4.470 0.004 0.000 0.141 574 S C -2.601 172.035 174.600 0.061 0.000 1.109 574 S CA -0.716 57.482 58.200 -0.004 0.000 1.106 574 S CB 1.274 64.493 63.200 0.032 0.000 1.637 574 S HN 0.150 nan 8.310 nan 0.000 0.457 575 P HA 0.126 nan 4.420 nan 0.000 0.228 575 P C 0.126 177.495 177.300 0.115 0.000 1.166 575 P CA 0.606 63.774 63.100 0.113 0.000 0.812 575 P CB -0.053 31.714 31.700 0.111 0.000 0.857 576 D N 0.861 121.311 120.400 0.082 0.000 2.644 576 D HA 0.126 4.769 4.640 0.004 0.000 0.252 576 D C 0.260 176.599 176.300 0.065 0.000 1.254 576 D CA 0.268 54.307 54.000 0.066 0.000 0.884 576 D CB -0.130 40.695 40.800 0.042 0.000 1.034 576 D HN 0.150 nan 8.370 nan 0.000 0.473 577 A N 1.075 123.955 122.820 0.101 0.000 2.391 577 A HA 0.265 4.588 4.320 0.004 0.000 0.316 577 A C 0.604 178.244 177.584 0.093 0.000 1.381 577 A CA -0.470 51.631 52.037 0.106 0.000 0.998 577 A CB 0.184 19.296 19.000 0.187 0.000 1.147 577 A HN -0.053 nan 8.150 nan 0.000 0.545 578 T N 3.966 118.566 114.554 0.076 0.000 2.817 578 T HA 0.258 4.611 4.350 0.004 0.000 0.295 578 T C 0.729 175.485 174.700 0.093 0.000 0.958 578 T CA 0.078 62.229 62.100 0.085 0.000 1.157 578 T CB -0.059 68.860 68.868 0.085 0.000 0.898 578 T HN 0.774 nan 8.240 nan 0.000 0.536 579 R N 1.916 122.463 120.500 0.078 0.000 2.459 579 R HA 0.621 4.964 4.340 0.004 0.000 0.281 579 R C -0.888 175.450 176.300 0.062 0.000 1.050 579 R CA -0.815 55.337 56.100 0.087 0.000 1.055 579 R CB 0.517 30.834 30.300 0.027 0.000 1.045 579 R HN 0.290 nan 8.270 nan 0.000 0.495 580 V N 2.992 122.950 119.914 0.073 0.000 2.617 580 V HA 0.416 4.539 4.120 0.004 0.000 0.298 580 V C -0.752 175.277 176.094 -0.108 0.000 1.048 580 V CA -0.390 61.931 62.300 0.036 0.000 0.964 580 V CB 1.113 32.948 31.823 0.021 0.000 1.004 580 V HN 0.599 nan 8.190 nan 0.000 0.466 581 F N 2.813 122.727 119.950 -0.060 0.000 2.536 581 F HA 0.616 5.145 4.527 0.004 0.000 0.322 581 F C -0.287 175.448 175.800 -0.109 0.000 1.144 581 F CA -0.536 57.410 58.000 -0.091 0.000 0.924 581 F CB 2.112 40.971 39.000 -0.235 0.000 1.181 581 F HN 0.158 nan 8.300 nan 0.000 0.438 582 V N 4.163 124.199 119.914 0.204 0.000 2.531 582 V HA 0.301 4.424 4.120 0.004 0.000 0.301 582 V C -0.227 175.942 176.094 0.125 0.000 1.034 582 V CA -0.979 61.374 62.300 0.088 0.000 0.865 582 V CB 1.664 33.495 31.823 0.013 0.000 0.995 582 V HN 0.817 nan 8.190 nan 0.000 0.424 583 N N 4.045 122.748 118.700 0.004 0.000 2.696 583 N HA -0.215 4.527 4.740 0.004 0.000 0.249 583 N C 0.961 176.593 175.510 0.204 0.000 1.090 583 N CA 1.894 55.033 53.050 0.149 0.000 0.716 583 N CB -0.876 37.707 38.487 0.160 0.000 1.020 583 N HN 1.504 nan 8.380 nan 0.000 0.548 584 G N -3.438 105.469 108.800 0.179 0.000 2.141 584 G HA2 -0.224 3.738 3.960 0.004 0.000 0.242 584 G HA3 -0.224 3.738 3.960 0.004 0.000 0.242 584 G C -0.084 175.034 174.900 0.364 0.000 0.982 584 G CA 0.125 45.398 45.100 0.288 0.000 0.662 584 G HN 0.496 nan 8.290 nan 0.000 0.527 585 V N 0.225 120.295 119.914 0.261 0.000 2.715 585 V HA 0.743 4.866 4.120 0.004 0.000 0.310 585 V C -0.334 175.674 176.094 -0.144 0.000 1.054 585 V CA -1.062 61.248 62.300 0.016 0.000 0.928 585 V CB 1.924 33.640 31.823 -0.179 0.000 1.007 585 V HN 0.313 nan 8.190 nan 0.000 0.437 586 W N 4.452 125.395 121.300 -0.595 0.000 2.308 586 W HA 0.457 5.120 4.660 0.004 0.000 0.311 586 W C 0.689 176.860 176.519 -0.581 0.000 1.088 586 W CA -0.637 56.240 57.345 -0.780 0.000 1.309 586 W CB 0.253 29.322 29.460 -0.652 0.000 1.229 586 W HN 0.687 nan 8.180 nan 0.000 0.427 587 H N 3.384 122.377 119.070 -0.128 0.000 2.652 587 H HA 0.314 4.873 4.556 0.004 0.000 0.274 587 H C 1.055 176.187 175.328 -0.327 0.000 1.021 587 H CA 0.862 56.781 56.048 -0.216 0.000 1.187 587 H CB 0.982 30.667 29.762 -0.128 0.000 1.505 587 H HN 0.563 nan 8.280 nan 0.000 0.530 588 G N 0.273 108.887 108.800 -0.310 0.000 2.332 588 G HA2 0.096 4.058 3.960 0.004 0.000 0.265 588 G HA3 0.096 4.058 3.960 0.004 0.000 0.265 588 G C -1.576 173.200 174.900 -0.206 0.000 1.329 588 G CA -0.327 44.495 45.100 -0.462 0.000 0.949 588 G HN 0.054 nan 8.290 nan 0.000 0.476 589 V N -0.383 119.384 119.914 -0.245 0.000 3.155 589 V HA 0.947 5.070 4.120 0.004 0.000 0.313 589 V C -0.713 175.428 176.094 0.079 0.000 1.162 589 V CA -0.606 61.624 62.300 -0.117 0.000 1.048 589 V CB 2.131 33.759 31.823 -0.324 0.000 1.092 589 V HN 1.299 nan 8.190 nan 0.000 0.447 590 H N 0.969 120.027 119.070 -0.021 0.000 3.163 590 H HA 0.449 5.008 4.556 0.004 0.000 0.322 590 H C -0.691 174.659 175.328 0.035 0.000 1.047 590 H CA -0.718 55.339 56.048 0.016 0.000 1.418 590 H CB 1.092 30.873 29.762 0.033 0.000 2.016 590 H HN 0.631 nan 8.280 nan 0.000 0.454 591 R N 2.702 123.079 120.500 -0.205 0.000 2.543 591 R HA 0.304 4.647 4.340 0.004 0.000 0.268 591 R C 0.119 176.126 176.300 -0.488 0.000 1.067 591 R CA -0.904 55.073 56.100 -0.206 0.000 1.142 591 R CB 0.422 30.667 30.300 -0.092 0.000 1.110 591 R HN 0.686 nan 8.270 nan 0.000 0.549 592 N N 1.652 120.195 118.700 -0.262 0.000 2.666 592 N HA -0.116 4.627 4.740 0.004 0.000 0.274 592 N C -1.700 173.629 175.510 -0.303 0.000 1.043 592 N CA 0.215 53.135 53.050 -0.217 0.000 0.782 592 N CB -0.010 38.395 38.487 -0.137 0.000 0.912 592 N HN 0.533 nan 8.380 nan 0.000 0.556 593 P HA -0.017 nan 4.420 nan 0.000 0.235 593 P C 1.118 178.463 177.300 0.074 0.000 1.177 593 P CA 0.801 63.922 63.100 0.035 0.000 0.785 593 P CB 0.213 31.961 31.700 0.081 0.000 0.885 594 A N 2.024 124.859 122.820 0.025 0.000 1.824 594 A HA -0.177 4.146 4.320 0.004 0.000 0.215 594 A C 2.400 180.022 177.584 0.064 0.000 1.209 594 A CA 1.531 53.590 52.037 0.037 0.000 0.614 594 A CB -1.489 17.524 19.000 0.021 0.000 0.852 594 A HN 0.024 nan 8.150 nan 0.000 0.447 595 R N -0.957 119.588 120.500 0.075 0.000 2.244 595 R HA -0.199 4.143 4.340 0.004 0.000 0.252 595 R C 1.992 178.402 176.300 0.183 0.000 1.177 595 R CA 1.488 57.662 56.100 0.123 0.000 1.004 595 R CB -0.626 29.748 30.300 0.123 0.000 0.873 595 R HN 0.564 nan 8.270 nan 0.000 0.469 596 L N -0.248 121.096 121.223 0.202 0.000 2.068 596 L HA -0.049 4.293 4.340 0.004 0.000 0.204 596 L C 2.131 179.015 176.870 0.023 0.000 1.076 596 L CA 1.525 56.481 54.840 0.194 0.000 0.753 596 L CB -0.339 41.927 42.059 0.344 0.000 0.910 596 L HN 0.008 nan 8.230 nan 0.000 0.439 597 M N 0.299 119.915 119.600 0.026 0.000 2.126 597 M HA -0.209 4.273 4.480 0.004 0.000 0.259 597 M C 2.188 178.457 176.300 -0.052 0.000 1.073 597 M CA 2.239 57.523 55.300 -0.027 0.000 1.103 597 M CB -0.680 31.919 32.600 -0.002 0.000 1.284 597 M HN 0.490 nan 8.290 nan 0.000 0.420 598 E N -0.993 119.197 120.200 -0.017 0.000 2.160 598 E HA -0.334 4.019 4.350 0.004 0.000 0.237 598 E C 1.626 178.191 176.600 -0.059 0.000 1.069 598 E CA 3.317 59.705 56.400 -0.020 0.000 0.950 598 E CB -0.782 28.927 29.700 0.014 0.000 0.832 598 E HN 0.568 nan 8.360 nan 0.000 0.496 599 T N 1.314 115.829 114.554 -0.065 0.000 2.564 599 T HA -0.266 4.087 4.350 0.004 0.000 0.264 599 T C 1.823 176.373 174.700 -0.249 0.000 1.100 599 T CA 2.097 64.104 62.100 -0.155 0.000 1.171 599 T CB -0.547 68.162 68.868 -0.264 0.000 0.863 599 T HN 0.201 nan 8.240 nan 0.000 0.430 600 L N 0.067 121.109 121.223 -0.302 0.000 1.997 600 L HA -0.236 4.107 4.340 0.004 0.000 0.216 600 L C 2.909 179.643 176.870 -0.225 0.000 1.074 600 L CA 1.909 56.541 54.840 -0.347 0.000 0.763 600 L CB -0.600 41.282 42.059 -0.294 0.000 0.890 600 L HN 0.251 nan 8.230 nan 0.000 0.434 601 R N -0.419 119.995 120.500 -0.143 0.000 2.103 601 R HA -0.169 4.174 4.340 0.004 0.000 0.234 601 R C 2.225 178.466 176.300 -0.099 0.000 1.132 601 R CA 2.333 58.376 56.100 -0.096 0.000 0.925 601 R CB -0.958 29.310 30.300 -0.054 0.000 0.842 601 R HN 0.360 nan 8.270 nan 0.000 0.430 602 T N 1.446 115.948 114.554 -0.087 0.000 2.760 602 T HA -0.155 4.197 4.350 0.004 0.000 0.269 602 T C 1.633 176.278 174.700 -0.092 0.000 1.047 602 T CA 1.216 63.274 62.100 -0.070 0.000 1.139 602 T CB -0.167 68.674 68.868 -0.045 0.000 0.855 602 T HN 0.167 nan 8.240 nan 0.000 0.471 603 L N 0.284 121.420 121.223 -0.145 0.000 2.341 603 L HA 0.138 4.480 4.340 0.004 0.000 0.214 603 L C 2.806 179.583 176.870 -0.155 0.000 1.115 603 L CA 0.760 55.502 54.840 -0.163 0.000 0.820 603 L CB -0.522 41.374 42.059 -0.272 0.000 0.944 603 L HN 0.221 nan 8.230 nan 0.000 0.452 604 R N 1.141 121.549 120.500 -0.153 0.000 2.112 604 R HA -0.023 4.319 4.340 0.004 0.000 0.216 604 R C 2.090 178.318 176.300 -0.121 0.000 1.080 604 R CA 0.566 56.583 56.100 -0.139 0.000 0.996 604 R CB 0.089 30.311 30.300 -0.129 0.000 0.902 604 R HN 0.246 nan 8.270 nan 0.000 0.449 605 R N 0.220 120.659 120.500 -0.101 0.000 2.240 605 R HA 0.033 4.375 4.340 0.004 0.000 0.203 605 R C 2.057 178.306 176.300 -0.085 0.000 1.011 605 R CA 0.774 56.820 56.100 -0.090 0.000 1.007 605 R CB 0.041 30.303 30.300 -0.062 0.000 0.911 605 R HN 0.155 nan 8.270 nan 0.000 0.468 606 K N -0.307 120.047 120.400 -0.077 0.000 2.166 606 K HA -0.004 4.318 4.320 0.004 0.000 0.201 606 K C 0.893 177.452 176.600 -0.068 0.000 1.052 606 K CA 1.187 57.439 56.287 -0.059 0.000 0.969 606 K CB 0.476 32.952 32.500 -0.040 0.000 0.761 606 K HN 0.269 nan 8.250 nan 0.000 0.459 607 G N 0.388 109.138 108.800 -0.082 0.000 2.227 607 G HA2 -0.152 3.810 3.960 0.004 0.000 0.168 607 G HA3 -0.152 3.810 3.960 0.004 0.000 0.168 607 G C 0.281 175.137 174.900 -0.072 0.000 1.006 607 G CA 0.196 45.245 45.100 -0.086 0.000 0.684 607 G HN 0.322 nan 8.290 nan 0.000 0.489 608 D N 0.183 120.543 120.400 -0.067 0.000 2.347 608 D HA 0.096 4.738 4.640 0.004 0.000 0.215 608 D C 0.642 176.896 176.300 -0.077 0.000 0.976 608 D CA 0.692 54.660 54.000 -0.053 0.000 0.884 608 D CB 0.617 41.400 40.800 -0.029 0.000 0.915 608 D HN 0.276 nan 8.370 nan 0.000 0.526 609 I N 1.264 121.765 120.570 -0.114 0.000 2.509 609 I HA 0.093 4.266 4.170 0.004 0.000 0.293 609 I C 0.419 176.465 176.117 -0.119 0.000 1.020 609 I CA -1.046 60.174 61.300 -0.133 0.000 1.088 609 I CB 1.506 39.389 38.000 -0.195 0.000 1.267 609 I HN -0.205 nan 8.210 nan 0.000 0.430 610 N N 7.554 126.193 118.700 -0.101 0.000 2.292 610 N HA -0.029 4.713 4.740 0.004 0.000 0.258 610 N C -1.838 173.588 175.510 -0.139 0.000 1.261 610 N CA -0.518 52.469 53.050 -0.105 0.000 0.845 610 N CB 1.121 39.560 38.487 -0.079 0.000 1.064 610 N HN 0.291 nan 8.380 nan 0.000 0.471 611 P HA -0.034 nan 4.420 nan 0.000 0.230 611 P C 0.732 177.889 177.300 -0.238 0.000 1.158 611 P CA 0.827 63.778 63.100 -0.249 0.000 0.769 611 P CB 0.382 31.839 31.700 -0.406 0.000 0.807 612 E N -0.226 119.853 120.200 -0.201 0.000 2.006 612 E HA -0.063 4.289 4.350 0.004 0.000 0.192 612 E C 0.389 176.867 176.600 -0.202 0.000 0.993 612 E CA 0.720 56.977 56.400 -0.239 0.000 0.808 612 E CB -0.612 28.991 29.700 -0.161 0.000 0.764 612 E HN -0.014 nan 8.360 nan 0.000 0.449 613 V N 3.141 122.982 119.914 -0.122 0.000 2.742 613 V HA -0.124 3.999 4.120 0.004 0.000 0.302 613 V C 0.422 176.487 176.094 -0.049 0.000 1.133 613 V CA 0.263 62.523 62.300 -0.067 0.000 1.284 613 V CB -0.359 31.425 31.823 -0.066 0.000 0.850 613 V HN 0.177 nan 8.190 nan 0.000 0.494 614 S N 5.994 121.703 115.700 0.014 0.000 2.554 614 S HA 0.775 5.247 4.470 0.004 0.000 0.278 614 S C -0.481 174.149 174.600 0.050 0.000 1.242 614 S CA -0.952 57.277 58.200 0.047 0.000 1.051 614 S CB 1.356 64.618 63.200 0.103 0.000 0.986 614 S HN 0.642 nan 8.310 nan 0.000 0.502 615 M N 3.168 122.784 119.600 0.028 0.000 2.053 615 M HA 0.391 4.873 4.480 0.004 0.000 0.297 615 M C -1.716 174.599 176.300 0.025 0.000 0.921 615 M CA -0.425 54.874 55.300 -0.001 0.000 0.918 615 M CB 0.909 33.483 32.600 -0.042 0.000 1.499 615 M HN 0.515 nan 8.290 nan 0.000 0.422 616 I N 3.200 123.785 120.570 0.026 0.000 2.362 616 I HA 0.437 4.609 4.170 0.004 0.000 0.289 616 I C 0.081 176.208 176.117 0.017 0.000 0.994 616 I CA -0.402 60.921 61.300 0.038 0.000 1.158 616 I CB 1.433 39.468 38.000 0.059 0.000 1.315 616 I HN 0.602 nan 8.210 nan 0.000 0.451 617 R N 5.000 125.515 120.500 0.026 0.000 2.288 617 R HA 0.398 4.741 4.340 0.004 0.000 0.326 617 R C -1.134 175.183 176.300 0.029 0.000 0.959 617 R CA -0.459 55.656 56.100 0.025 0.000 0.834 617 R CB 1.047 31.363 30.300 0.026 0.000 1.157 617 R HN 0.608 nan 8.270 nan 0.000 0.470 618 D N 5.945 126.361 120.400 0.026 0.000 2.317 618 D HA 0.110 4.753 4.640 0.004 0.000 0.234 618 D C 1.175 177.494 176.300 0.031 0.000 1.112 618 D CA -0.414 53.602 54.000 0.027 0.000 0.840 618 D CB 1.072 41.883 40.800 0.020 0.000 1.078 618 D HN 0.513 nan 8.370 nan 0.000 0.486 619 I N 4.004 124.591 120.570 0.029 0.000 2.141 619 I HA -0.203 3.969 4.170 0.004 0.000 0.236 619 I C 2.067 178.203 176.117 0.032 0.000 1.071 619 I CA 1.096 62.413 61.300 0.029 0.000 1.345 619 I CB -0.670 37.343 38.000 0.021 0.000 1.066 619 I HN 0.422 nan 8.210 nan 0.000 0.406 620 R N 0.763 121.280 120.500 0.028 0.000 2.357 620 R HA -0.103 4.239 4.340 0.004 0.000 0.202 620 R C 1.059 177.380 176.300 0.035 0.000 1.047 620 R CA 0.555 56.672 56.100 0.029 0.000 1.034 620 R CB -0.174 30.138 30.300 0.020 0.000 0.875 620 R HN 0.314 nan 8.270 nan 0.000 0.473 621 E N 0.705 120.930 120.200 0.042 0.000 2.676 621 E HA 0.077 4.429 4.350 0.004 0.000 0.225 621 E C -0.741 175.904 176.600 0.076 0.000 0.944 621 E CA -0.161 56.270 56.400 0.052 0.000 1.156 621 E CB 0.380 30.102 29.700 0.036 0.000 1.117 621 E HN 0.119 nan 8.360 nan 0.000 0.523 622 K N 1.271 121.712 120.400 0.069 0.000 3.148 622 K HA -0.223 4.100 4.320 0.004 0.000 0.267 622 K C -0.716 175.935 176.600 0.084 0.000 0.996 622 K CA 1.046 57.379 56.287 0.078 0.000 0.737 622 K CB -1.803 30.754 32.500 0.095 0.000 1.308 622 K HN 0.278 nan 8.250 nan 0.000 0.470 623 E N 0.484 120.726 120.200 0.071 0.000 2.320 623 E HA 0.632 4.984 4.350 0.004 0.000 0.264 623 E C -0.823 175.817 176.600 0.066 0.000 0.923 623 E CA -1.343 55.105 56.400 0.080 0.000 0.796 623 E CB 1.809 31.532 29.700 0.038 0.000 1.262 623 E HN 0.086 nan 8.360 nan 0.000 0.428 624 L N 0.965 122.242 121.223 0.090 0.000 2.568 624 L HA 0.352 4.695 4.340 0.004 0.000 0.262 624 L C -1.531 175.364 176.870 0.042 0.000 0.980 624 L CA -0.355 54.517 54.840 0.053 0.000 0.882 624 L CB 1.066 43.163 42.059 0.064 0.000 1.198 624 L HN 0.390 nan 8.230 nan 0.000 0.425 625 K N 5.023 125.396 120.400 -0.046 0.000 2.213 625 K HA 0.680 5.003 4.320 0.004 0.000 0.270 625 K C -1.105 175.349 176.600 -0.243 0.000 1.002 625 K CA -0.593 55.583 56.287 -0.185 0.000 0.868 625 K CB 1.812 34.107 32.500 -0.343 0.000 1.093 625 K HN 0.473 nan 8.250 nan 0.000 0.454 626 I N 3.680 124.066 120.570 -0.307 0.000 2.389 626 I HA 0.317 4.490 4.170 0.004 0.000 0.288 626 I C -0.829 175.105 176.117 -0.305 0.000 0.999 626 I CA -0.196 60.972 61.300 -0.220 0.000 1.129 626 I CB 0.866 38.782 38.000 -0.140 0.000 1.288 626 I HN 0.433 nan 8.210 nan 0.000 0.444 627 F N 4.036 123.974 119.950 -0.019 0.000 2.458 627 F HA 0.437 4.967 4.527 0.004 0.000 0.336 627 F C 0.992 176.767 175.800 -0.042 0.000 1.114 627 F CA -0.294 57.692 58.000 -0.024 0.000 0.987 627 F CB 2.009 40.988 39.000 -0.034 0.000 1.130 627 F HN 0.368 nan 8.300 nan 0.000 0.458 628 T N 0.662 115.347 114.554 0.219 0.000 3.111 628 T HA 0.008 4.360 4.350 0.004 0.000 0.284 628 T C 0.027 174.780 174.700 0.088 0.000 0.983 628 T CA -0.267 61.892 62.100 0.098 0.000 0.900 628 T CB -0.246 68.657 68.868 0.058 0.000 1.132 628 T HN 0.494 nan 8.240 nan 0.000 0.531 629 D N 1.948 122.419 120.400 0.118 0.000 2.362 629 D HA 0.352 4.994 4.640 0.004 0.000 0.238 629 D C -0.097 176.203 176.300 0.001 0.000 1.212 629 D CA 0.207 54.234 54.000 0.045 0.000 0.902 629 D CB 0.967 41.759 40.800 -0.013 0.000 1.180 629 D HN 0.309 nan 8.370 nan 0.000 0.445 630 A N -0.011 122.806 122.820 -0.005 0.000 2.318 630 A HA 0.606 4.928 4.320 0.004 0.000 0.324 630 A C 0.597 178.166 177.584 -0.025 0.000 1.170 630 A CA 0.206 52.240 52.037 -0.004 0.000 0.810 630 A CB 1.429 20.436 19.000 0.013 0.000 1.198 630 A HN 0.687 nan 8.150 nan 0.000 0.484 631 G N 1.658 110.447 108.800 -0.018 0.000 2.148 631 G HA2 -0.137 3.826 3.960 0.004 0.000 0.157 631 G HA3 -0.137 3.826 3.960 0.004 0.000 0.157 631 G C -0.030 174.822 174.900 -0.080 0.000 1.012 631 G CA -0.280 44.794 45.100 -0.044 0.000 0.677 631 G HN 0.848 nan 8.290 nan 0.000 0.506 632 R N 0.311 120.784 120.500 -0.045 0.000 2.265 632 R HA 0.598 4.941 4.340 0.004 0.000 0.319 632 R C 0.510 176.872 176.300 0.103 0.000 1.006 632 R CA -0.670 55.391 56.100 -0.066 0.000 0.880 632 R CB 2.033 32.281 30.300 -0.086 0.000 1.077 632 R HN 0.101 nan 8.270 nan 0.000 0.454 633 V N 3.583 123.515 119.914 0.031 0.000 2.953 633 V HA 0.404 4.526 4.120 0.004 0.000 0.304 633 V C -0.207 176.045 176.094 0.264 0.000 1.073 633 V CA -0.256 62.112 62.300 0.114 0.000 1.064 633 V CB 0.254 32.140 31.823 0.105 0.000 1.047 633 V HN 0.872 nan 8.190 nan 0.000 0.478 634 Y N 0.879 121.182 120.300 0.005 0.000 2.925 634 Y HA 0.802 5.355 4.550 0.004 0.000 0.349 634 Y C -0.583 175.261 175.900 -0.093 0.000 1.342 634 Y CA -1.552 56.544 58.100 -0.005 0.000 1.093 634 Y CB 1.021 39.496 38.460 0.026 0.000 1.571 634 Y HN 0.675 nan 8.280 nan 0.000 0.438 635 R N -1.907 118.639 120.500 0.076 0.000 3.985 635 R HA 0.584 4.926 4.340 0.004 0.000 0.253 635 R C -2.706 173.436 176.300 -0.263 0.000 0.994 635 R CA -1.175 54.796 56.100 -0.215 0.000 0.806 635 R CB -0.370 29.790 30.300 -0.233 0.000 1.750 635 R HN 0.364 nan 8.270 nan 0.000 0.388 636 P HA -0.255 nan 4.420 nan 0.000 0.233 636 P C 0.134 177.335 177.300 -0.165 0.000 0.801 636 P CA 1.509 64.380 63.100 -0.383 0.000 1.108 636 P CB -0.684 30.829 31.700 -0.312 0.000 0.711 637 L N -2.945 118.201 121.223 -0.129 0.000 2.832 637 L HA -0.099 4.243 4.340 0.004 0.000 0.334 637 L C 0.182 177.110 176.870 0.097 0.000 1.254 637 L CA 0.373 55.191 54.840 -0.037 0.000 0.844 637 L CB -1.651 40.425 42.059 0.028 0.000 1.090 637 L HN -0.086 nan 8.230 nan 0.000 0.550 638 F N 1.989 121.965 119.950 0.044 0.000 2.375 638 F HA 0.655 5.184 4.527 0.004 0.000 0.313 638 F C 0.865 176.738 175.800 0.120 0.000 1.176 638 F CA -0.790 57.243 58.000 0.056 0.000 1.142 638 F CB 0.081 39.104 39.000 0.037 0.000 1.275 638 F HN 0.377 nan 8.300 nan 0.000 0.544 639 I N 0.269 121.033 120.570 0.322 0.000 2.676 639 I HA 0.307 4.479 4.170 0.004 0.000 0.309 639 I C 0.232 176.402 176.117 0.088 0.000 0.990 639 I CA -0.540 60.874 61.300 0.190 0.000 1.168 639 I CB 1.770 39.847 38.000 0.128 0.000 1.343 639 I HN 0.444 nan 8.210 nan 0.000 0.482 640 V N 0.335 120.279 119.914 0.051 0.000 3.480 640 V HA 0.122 4.244 4.120 0.004 0.000 0.263 640 V C 0.185 176.296 176.094 0.028 0.000 1.442 640 V CA -0.200 62.118 62.300 0.031 0.000 1.053 640 V CB -0.360 31.493 31.823 0.050 0.000 0.846 640 V HN 0.691 nan 8.190 nan 0.000 0.440 641 E N 3.099 123.304 120.200 0.009 0.000 2.956 641 E HA -0.215 4.137 4.350 0.004 0.000 0.326 641 E C 0.700 177.321 176.600 0.034 0.000 0.707 641 E CA 0.623 57.031 56.400 0.013 0.000 1.182 641 E CB -0.030 29.675 29.700 0.010 0.000 0.682 641 E HN 0.690 nan 8.360 nan 0.000 0.478 642 D N 2.507 122.931 120.400 0.040 0.000 2.434 642 D HA -0.212 4.431 4.640 0.004 0.000 0.228 642 D C -0.053 176.277 176.300 0.050 0.000 0.995 642 D CA 0.467 54.504 54.000 0.060 0.000 0.976 642 D CB -0.300 40.532 40.800 0.053 0.000 0.867 642 D HN 0.424 nan 8.370 nan 0.000 0.519 643 D N 1.405 121.827 120.400 0.038 0.000 2.987 643 D HA -0.093 4.549 4.640 0.004 0.000 0.219 643 D C -0.061 176.254 176.300 0.025 0.000 1.028 643 D CA 0.940 54.958 54.000 0.030 0.000 1.573 643 D CB -0.078 40.740 40.800 0.031 0.000 1.168 643 D HN 0.362 nan 8.370 nan 0.000 0.465 644 E N -0.284 119.926 120.200 0.017 0.000 2.304 644 E HA 0.071 4.424 4.350 0.004 0.000 0.277 644 E C 0.172 176.752 176.600 -0.033 0.000 0.898 644 E CA -0.342 56.053 56.400 -0.009 0.000 0.764 644 E CB 2.298 31.986 29.700 -0.020 0.000 1.216 644 E HN 0.003 nan 8.360 nan 0.000 0.419 645 S N 2.378 118.058 115.700 -0.033 0.000 2.350 645 S HA -0.079 4.394 4.470 0.004 0.000 0.193 645 S C 1.403 175.968 174.600 -0.058 0.000 1.322 645 S CA 0.774 58.952 58.200 -0.036 0.000 2.111 645 S CB -0.246 62.939 63.200 -0.025 0.000 0.690 645 S HN 0.514 nan 8.310 nan 0.000 0.359 646 L N 1.718 122.904 121.223 -0.061 0.000 4.269 646 L HA 0.159 4.502 4.340 0.004 0.000 0.276 646 L C 0.706 177.499 176.870 -0.128 0.000 1.307 646 L CA 0.794 55.590 54.840 -0.073 0.000 0.933 646 L CB -1.097 40.927 42.059 -0.059 0.000 1.380 646 L HN 0.692 nan 8.230 nan 0.000 0.398 647 G N -0.201 108.499 108.800 -0.165 0.000 2.648 647 G HA2 0.128 4.091 3.960 0.004 0.000 0.317 647 G HA3 0.128 4.091 3.960 0.004 0.000 0.317 647 G C -0.271 174.271 174.900 -0.597 0.000 1.216 647 G CA -0.414 44.508 45.100 -0.297 0.000 1.210 647 G HN 0.756 nan 8.290 nan 0.000 0.583 648 H N -1.577 117.492 119.070 -0.002 0.000 1.456 648 H HA -0.152 4.406 4.556 0.004 0.000 0.090 648 H C -0.346 174.986 175.328 0.007 0.000 1.131 648 H CA 0.203 56.252 56.048 0.000 0.000 1.900 648 H CB -0.339 29.421 29.762 -0.003 0.000 2.256 648 H HN 0.697 nan 8.280 nan 0.000 0.960 649 K N 1.175 121.756 120.400 0.301 0.000 2.339 649 K HA 0.244 4.567 4.320 0.004 0.000 0.286 649 K C -0.162 176.543 176.600 0.175 0.000 1.050 649 K CA 0.190 56.576 56.287 0.165 0.000 0.956 649 K CB 0.930 33.476 32.500 0.078 0.000 0.990 649 K HN 0.406 nan 8.250 nan 0.000 0.475 650 E N 2.608 122.902 120.200 0.157 0.000 2.431 650 E HA 0.448 4.800 4.350 0.004 0.000 0.268 650 E C -1.224 175.398 176.600 0.036 0.000 0.953 650 E CA -0.716 55.750 56.400 0.109 0.000 0.810 650 E CB 0.953 30.739 29.700 0.144 0.000 1.369 650 E HN 0.381 nan 8.360 nan 0.000 0.440 651 L N 2.158 123.377 121.223 -0.007 0.000 2.334 651 L HA 0.392 4.734 4.340 0.004 0.000 0.277 651 L C 1.375 178.248 176.870 0.004 0.000 1.075 651 L CA -0.603 54.205 54.840 -0.053 0.000 0.804 651 L CB 0.931 42.880 42.059 -0.182 0.000 1.174 651 L HN 0.527 nan 8.230 nan 0.000 0.438 652 K N 1.358 121.778 120.400 0.033 0.000 2.001 652 K HA -0.013 4.310 4.320 0.004 0.000 0.208 652 K C 0.667 177.353 176.600 0.142 0.000 1.048 652 K CA 0.687 57.022 56.287 0.081 0.000 0.932 652 K CB -0.070 32.476 32.500 0.077 0.000 0.715 652 K HN 0.385 nan 8.250 nan 0.000 0.437 653 V N 2.344 122.350 119.914 0.152 0.000 3.531 653 V HA -0.178 3.944 4.120 0.004 0.000 0.289 653 V C 0.686 176.905 176.094 0.208 0.000 1.253 653 V CA 0.659 63.136 62.300 0.295 0.000 1.362 653 V CB -0.132 31.802 31.823 0.186 0.000 1.054 653 V HN 0.406 nan 8.190 nan 0.000 0.514 654 R N 0.506 121.126 120.500 0.200 0.000 2.728 654 R HA 0.247 4.589 4.340 0.004 0.000 0.274 654 R C 0.628 176.945 176.300 0.028 0.000 1.032 654 R CA -0.762 55.352 56.100 0.024 0.000 0.866 654 R CB 0.871 31.113 30.300 -0.097 0.000 1.263 654 R HN 0.670 nan 8.270 nan 0.000 0.475 655 K N 0.813 121.225 120.400 0.021 0.000 2.218 655 K HA -0.147 4.176 4.320 0.004 0.000 0.205 655 K C 1.513 178.128 176.600 0.026 0.000 1.046 655 K CA 2.161 58.476 56.287 0.047 0.000 0.933 655 K CB -0.429 32.093 32.500 0.037 0.000 0.728 655 K HN 0.701 nan 8.250 nan 0.000 0.454 656 G N 1.057 109.821 108.800 -0.060 0.000 2.679 656 G HA2 -0.304 3.659 3.960 0.004 0.000 0.217 656 G HA3 -0.304 3.659 3.960 0.004 0.000 0.217 656 G C 1.144 176.009 174.900 -0.059 0.000 1.267 656 G CA 1.252 46.275 45.100 -0.130 0.000 0.799 656 G HN 0.387 nan 8.290 nan 0.000 0.606 657 H N 0.227 119.366 119.070 0.114 0.000 2.319 657 H HA -0.014 4.545 4.556 0.004 0.000 0.299 657 H C 2.745 178.237 175.328 0.273 0.000 1.092 657 H CA 1.233 57.415 56.048 0.224 0.000 1.302 657 H CB -0.588 29.345 29.762 0.285 0.000 1.373 657 H HN 0.313 nan 8.280 nan 0.000 0.497 658 I N 0.730 121.501 120.570 0.334 0.000 2.208 658 I HA -0.275 3.898 4.170 0.004 0.000 0.245 658 I C 2.591 178.847 176.117 0.233 0.000 1.097 658 I CA 1.110 62.578 61.300 0.279 0.000 1.363 658 I CB -0.168 37.968 38.000 0.227 0.000 1.051 658 I HN 0.208 nan 8.210 nan 0.000 0.413 659 A N -0.412 122.510 122.820 0.171 0.000 2.015 659 A HA -0.210 4.113 4.320 0.004 0.000 0.219 659 A C 2.270 179.940 177.584 0.144 0.000 1.163 659 A CA 1.334 53.453 52.037 0.137 0.000 0.646 659 A CB -0.359 18.693 19.000 0.087 0.000 0.806 659 A HN 0.315 nan 8.150 nan 0.000 0.448 660 K N -0.785 119.706 120.400 0.152 0.000 2.366 660 K HA 0.193 4.515 4.320 0.004 0.000 0.198 660 K C 1.557 178.334 176.600 0.295 0.000 1.044 660 K CA 0.328 56.678 56.287 0.106 0.000 0.973 660 K CB -0.123 32.300 32.500 -0.129 0.000 0.767 660 K HN 0.478 nan 8.250 nan 0.000 0.475 661 L N -0.083 121.378 121.223 0.397 0.000 2.162 661 L HA -0.026 4.316 4.340 0.004 0.000 0.205 661 L C 2.247 179.274 176.870 0.261 0.000 1.086 661 L CA 0.824 55.892 54.840 0.381 0.000 0.778 661 L CB -0.027 42.224 42.059 0.319 0.000 0.928 661 L HN 0.205 nan 8.230 nan 0.000 0.446 662 M N -1.139 118.598 119.600 0.228 0.000 2.349 662 M HA -0.085 4.398 4.480 0.004 0.000 0.266 662 M C 2.394 178.808 176.300 0.190 0.000 1.076 662 M CA 1.154 56.574 55.300 0.199 0.000 1.126 662 M CB -0.198 32.511 32.600 0.181 0.000 1.392 662 M HN 0.293 nan 8.290 nan 0.000 0.440 663 A N -0.152 122.776 122.820 0.180 0.000 1.971 663 A HA -0.211 4.111 4.320 0.004 0.000 0.222 663 A C 2.030 179.690 177.584 0.127 0.000 1.182 663 A CA 2.416 54.541 52.037 0.147 0.000 0.649 663 A CB -1.193 17.872 19.000 0.108 0.000 0.818 663 A HN 0.461 nan 8.150 nan 0.000 0.458 664 T N -0.769 113.876 114.554 0.153 0.000 3.148 664 T HA 0.049 4.402 4.350 0.004 0.000 0.253 664 T C 1.479 176.257 174.700 0.129 0.000 1.134 664 T CA 0.899 63.078 62.100 0.131 0.000 1.051 664 T CB 0.046 69.015 68.868 0.168 0.000 0.959 664 T HN 0.628 nan 8.240 nan 0.000 0.525 665 E N 0.388 120.682 120.200 0.157 0.000 2.034 665 E HA -0.025 4.327 4.350 0.004 0.000 0.192 665 E C 1.828 178.535 176.600 0.178 0.000 0.963 665 E CA 0.510 57.007 56.400 0.163 0.000 0.831 665 E CB -0.240 29.566 29.700 0.176 0.000 0.801 665 E HN 0.465 nan 8.360 nan 0.000 0.463 666 Y N 2.121 122.466 120.300 0.075 0.000 2.181 666 Y HA -0.215 4.337 4.550 0.004 0.000 0.284 666 Y C 1.377 177.310 175.900 0.054 0.000 1.179 666 Y CA 1.430 59.565 58.100 0.059 0.000 1.179 666 Y CB -0.318 38.173 38.460 0.053 0.000 0.973 666 Y HN -0.011 nan 8.280 nan 0.000 0.519 667 Q N 2.252 121.938 119.800 -0.190 0.000 3.151 667 Q HA 0.095 4.437 4.340 0.004 0.000 0.277 667 Q C -1.131 174.834 176.000 -0.057 0.000 1.343 667 Q CA 0.255 55.921 55.803 -0.228 0.000 0.925 667 Q CB -0.475 28.158 28.738 -0.175 0.000 1.771 667 Q HN 0.485 nan 8.270 nan 0.000 0.514 679 Y N 3.833 124.168 120.300 0.058 0.000 2.518 679 Y HA 0.359 4.911 4.550 0.004 0.000 0.344 679 Y C 0.248 176.203 175.900 0.091 0.000 0.982 679 Y CA -0.450 57.692 58.100 0.070 0.000 1.234 679 Y CB 0.587 39.096 38.460 0.082 0.000 1.114 679 Y HN 0.138 nan 8.280 nan 0.000 0.515 680 T N 1.503 116.009 114.554 -0.079 0.000 2.923 680 T HA 0.069 4.422 4.350 0.004 0.000 0.281 680 T C 1.164 175.807 174.700 -0.095 0.000 0.995 680 T CA -0.773 61.310 62.100 -0.027 0.000 0.985 680 T CB 0.856 69.748 68.868 0.040 0.000 1.114 680 T HN 0.817 nan 8.240 nan 0.000 0.548 681 W N 0.890 122.111 121.300 -0.131 0.000 2.311 681 W HA -0.262 4.400 4.660 0.004 0.000 0.326 681 W C 2.094 178.544 176.519 -0.117 0.000 1.239 681 W CA 1.975 59.261 57.345 -0.099 0.000 1.258 681 W CB -0.899 28.550 29.460 -0.017 0.000 1.165 681 W HN 0.684 nan 8.180 nan 0.000 0.466 682 S N 0.695 116.421 115.700 0.044 0.000 2.389 682 S HA -0.310 4.163 4.470 0.004 0.000 0.231 682 S C 2.067 176.514 174.600 -0.256 0.000 1.052 682 S CA 2.839 60.954 58.200 -0.141 0.000 1.053 682 S CB -0.731 62.478 63.200 0.016 0.000 0.886 682 S HN 0.530 nan 8.310 nan 0.000 0.456 683 S N 1.261 116.817 115.700 -0.240 0.000 2.400 683 S HA -0.040 4.432 4.470 0.004 0.000 0.232 683 S C 1.800 176.204 174.600 -0.326 0.000 1.025 683 S CA 1.055 59.118 58.200 -0.227 0.000 0.993 683 S CB -0.689 62.400 63.200 -0.184 0.000 0.808 683 S HN 0.494 nan 8.310 nan 0.000 0.478 684 L N 0.023 120.946 121.223 -0.500 0.000 2.017 684 L HA -0.081 4.262 4.340 0.004 0.000 0.208 684 L C 2.658 179.251 176.870 -0.462 0.000 1.073 684 L CA 1.039 55.583 54.840 -0.494 0.000 0.745 684 L CB -0.622 41.075 42.059 -0.604 0.000 0.894 684 L HN 0.309 nan 8.230 nan 0.000 0.432 685 L N 0.411 121.288 121.223 -0.576 0.000 2.013 685 L HA -0.268 4.074 4.340 0.004 0.000 0.212 685 L C 2.295 178.996 176.870 -0.282 0.000 1.073 685 L CA 1.941 56.499 54.840 -0.470 0.000 0.753 685 L CB -0.893 40.877 42.059 -0.482 0.000 0.890 685 L HN 0.380 nan 8.230 nan 0.000 0.432 686 N N -0.750 117.817 118.700 -0.221 0.000 2.300 686 N HA -0.112 4.630 4.740 0.004 0.000 0.179 686 N C 1.029 176.475 175.510 -0.107 0.000 1.016 686 N CA 0.838 53.805 53.050 -0.139 0.000 0.876 686 N CB -0.101 38.327 38.487 -0.099 0.000 0.979 686 N HN 0.525 nan 8.380 nan 0.000 0.432 687 E N 0.877 121.007 120.200 -0.117 0.000 2.416 687 E HA 0.123 4.476 4.350 0.004 0.000 0.189 687 E C 0.172 176.713 176.600 -0.099 0.000 1.091 687 E CA -0.405 55.946 56.400 -0.082 0.000 0.889 687 E CB -0.139 29.522 29.700 -0.065 0.000 1.015 687 E HN 0.283 nan 8.360 nan 0.000 0.479 688 G N 1.687 110.416 108.800 -0.118 0.000 2.296 688 G HA2 -0.252 3.710 3.960 0.004 0.000 0.263 688 G HA3 -0.252 3.710 3.960 0.004 0.000 0.263 688 G C 0.267 175.122 174.900 -0.074 0.000 0.887 688 G CA 0.198 45.241 45.100 -0.095 0.000 1.318 688 G HN 0.364 nan 8.290 nan 0.000 0.403 689 L N -0.176 120.985 121.223 -0.104 0.000 3.217 689 L HA 0.401 4.743 4.340 0.004 0.000 0.288 689 L C 0.278 177.165 176.870 0.028 0.000 1.202 689 L CA -0.175 54.649 54.840 -0.027 0.000 1.027 689 L CB 0.871 42.877 42.059 -0.089 0.000 1.427 689 L HN 0.282 nan 8.230 nan 0.000 0.600 690 V N -0.305 119.570 119.914 -0.064 0.000 2.969 690 V HA 0.403 4.526 4.120 0.004 0.000 0.304 690 V C -1.108 174.981 176.094 -0.008 0.000 1.192 690 V CA -0.614 61.648 62.300 -0.062 0.000 0.962 690 V CB 3.310 34.915 31.823 -0.363 0.000 1.045 690 V HN 0.055 nan 8.190 nan 0.000 0.428 691 E N 1.562 121.835 120.200 0.120 0.000 2.393 691 E HA 0.529 4.881 4.350 0.004 0.000 0.273 691 E C -1.875 174.940 176.600 0.359 0.000 0.918 691 E CA -0.756 55.742 56.400 0.162 0.000 0.773 691 E CB 3.009 32.808 29.700 0.165 0.000 1.275 691 E HN 0.675 nan 8.360 nan 0.000 0.451 692 Y N 1.777 122.131 120.300 0.090 0.000 2.328 692 Y HA 0.361 4.914 4.550 0.004 0.000 0.337 692 Y C -0.020 175.947 175.900 0.112 0.000 1.008 692 Y CA -1.027 57.186 58.100 0.188 0.000 1.129 692 Y CB 1.031 39.617 38.460 0.209 0.000 1.185 692 Y HN 0.182 nan 8.280 nan 0.000 0.476 693 I N 4.473 125.203 120.570 0.267 0.000 2.509 693 I HA 0.192 4.365 4.170 0.004 0.000 0.293 693 I C -0.512 175.725 176.117 0.201 0.000 1.020 693 I CA -0.841 60.556 61.300 0.162 0.000 1.088 693 I CB 1.855 39.889 38.000 0.057 0.000 1.267 693 I HN 0.666 nan 8.210 nan 0.000 0.430 694 D N 4.435 124.928 120.400 0.155 0.000 2.340 694 D HA 0.464 5.106 4.640 0.004 0.000 0.240 694 D C 0.668 177.050 176.300 0.138 0.000 1.001 694 D CA -0.391 53.710 54.000 0.168 0.000 0.888 694 D CB 2.315 43.185 40.800 0.117 0.000 1.310 694 D HN 0.508 nan 8.370 nan 0.000 0.474 695 A N 2.340 125.266 122.820 0.176 0.000 1.826 695 A HA -0.431 3.891 4.320 0.004 0.000 0.267 695 A C 1.901 179.590 177.584 0.175 0.000 2.510 695 A CA 3.071 55.245 52.037 0.229 0.000 0.865 695 A CB -1.551 17.613 19.000 0.273 0.000 0.830 695 A HN 0.816 nan 8.150 nan 0.000 0.508 696 E N -0.793 119.445 120.200 0.063 0.000 2.095 696 E HA -0.270 4.083 4.350 0.004 0.000 0.212 696 E C 2.017 178.671 176.600 0.091 0.000 1.044 696 E CA 2.273 58.685 56.400 0.019 0.000 0.857 696 E CB -0.367 29.323 29.700 -0.016 0.000 0.764 696 E HN 0.764 nan 8.360 nan 0.000 0.462 697 E N -0.442 119.821 120.200 0.105 0.000 2.150 697 E HA -0.194 4.158 4.350 0.004 0.000 0.193 697 E C 1.999 178.672 176.600 0.121 0.000 0.985 697 E CA 0.856 57.324 56.400 0.114 0.000 0.814 697 E CB -0.084 29.684 29.700 0.112 0.000 0.752 697 E HN 0.353 nan 8.360 nan 0.000 0.466 698 E N 0.481 120.753 120.200 0.121 0.000 2.097 698 E HA -0.246 4.107 4.350 0.004 0.000 0.196 698 E C 1.844 178.512 176.600 0.113 0.000 1.000 698 E CA 1.109 57.575 56.400 0.109 0.000 0.804 698 E CB 0.108 29.885 29.700 0.128 0.000 0.740 698 E HN 0.194 nan 8.360 nan 0.000 0.454 699 E N 0.039 120.316 120.200 0.128 0.000 2.187 699 E HA -0.180 4.173 4.350 0.004 0.000 0.199 699 E C 1.586 178.238 176.600 0.087 0.000 1.004 699 E CA 1.453 57.922 56.400 0.114 0.000 0.813 699 E CB -0.164 29.618 29.700 0.138 0.000 0.736 699 E HN 0.248 nan 8.360 nan 0.000 0.468 700 S N 0.183 115.941 115.700 0.097 0.000 2.552 700 S HA 0.223 4.696 4.470 0.004 0.000 0.246 700 S C 0.585 175.251 174.600 0.110 0.000 1.019 700 S CA -0.662 57.589 58.200 0.085 0.000 1.045 700 S CB -0.319 62.927 63.200 0.076 0.000 0.784 700 S HN 0.191 nan 8.310 nan 0.000 0.453 701 I N -1.970 118.685 120.570 0.141 0.000 3.466 701 I HA 0.789 4.962 4.170 0.004 0.000 0.311 701 I C -1.930 174.286 176.117 0.165 0.000 1.155 701 I CA -1.886 59.543 61.300 0.215 0.000 0.959 701 I CB 1.346 39.676 38.000 0.549 0.000 1.332 701 I HN 0.174 nan 8.210 nan 0.000 0.483 702 L N 2.644 124.001 121.223 0.223 0.000 2.471 702 L HA 0.571 4.914 4.340 0.004 0.000 0.263 702 L C -1.215 175.903 176.870 0.413 0.000 0.985 702 L CA -0.111 54.849 54.840 0.199 0.000 0.868 702 L CB 0.790 42.875 42.059 0.043 0.000 1.203 702 L HN 0.491 nan 8.230 nan 0.000 0.429 703 I N 3.980 124.741 120.570 0.318 0.000 2.365 703 I HA 0.621 4.794 4.170 0.004 0.000 0.291 703 I C 0.623 176.853 176.117 0.189 0.000 1.004 703 I CA -0.344 61.110 61.300 0.257 0.000 1.311 703 I CB 1.598 39.657 38.000 0.099 0.000 1.401 703 I HN 0.704 nan 8.210 nan 0.000 0.491 704 A N 5.559 128.277 122.820 -0.170 0.000 2.304 704 A HA 0.545 4.867 4.320 0.004 0.000 0.301 704 A C 0.467 177.904 177.584 -0.245 0.000 1.132 704 A CA -0.546 51.110 52.037 -0.635 0.000 0.819 704 A CB 1.170 19.337 19.000 -1.388 0.000 1.094 704 A HN 0.824 nan 8.150 nan 0.000 0.492 705 M N 0.695 120.186 119.600 -0.182 0.000 2.121 705 M HA 0.061 4.544 4.480 0.004 0.000 0.250 705 M C 1.156 177.400 176.300 -0.094 0.000 1.120 705 M CA 1.636 56.875 55.300 -0.102 0.000 1.141 705 M CB -0.340 32.202 32.600 -0.097 0.000 1.254 705 M HN 0.806 nan 8.290 nan 0.000 0.433 706 Q N 0.304 120.049 119.800 -0.090 0.000 2.249 706 Q HA 0.199 4.541 4.340 0.004 0.000 0.226 706 Q C -1.971 173.970 176.000 -0.099 0.000 0.983 706 Q CA -1.639 54.137 55.803 -0.045 0.000 0.930 706 Q CB 0.352 29.080 28.738 -0.016 0.000 1.193 706 Q HN 0.234 nan 8.270 nan 0.000 0.508 707 P HA -0.030 nan 4.420 nan 0.000 0.238 707 P C 0.233 177.472 177.300 -0.103 0.000 1.153 707 P CA 0.541 63.543 63.100 -0.162 0.000 0.900 707 P CB 0.445 32.027 31.700 -0.196 0.000 1.009 708 E N 1.954 122.128 120.200 -0.044 0.000 1.928 708 E HA -0.229 4.124 4.350 0.004 0.000 0.215 708 E C 0.619 177.232 176.600 0.021 0.000 0.926 708 E CA 1.452 57.852 56.400 -0.002 0.000 0.951 708 E CB -1.811 27.906 29.700 0.029 0.000 0.826 708 E HN -0.108 nan 8.360 nan 0.000 0.587 709 D N -0.259 120.160 120.400 0.032 0.000 2.423 709 D HA -0.082 4.560 4.640 0.004 0.000 0.248 709 D C 0.469 176.796 176.300 0.046 0.000 1.145 709 D CA 0.614 54.639 54.000 0.042 0.000 1.002 709 D CB -0.102 40.694 40.800 -0.007 0.000 0.883 709 D HN 0.235 nan 8.370 nan 0.000 0.513 710 L N -0.055 121.217 121.223 0.082 0.000 3.135 710 L HA 0.217 4.559 4.340 0.004 0.000 0.279 710 L C -0.055 176.910 176.870 0.158 0.000 1.200 710 L CA 0.135 55.057 54.840 0.135 0.000 1.016 710 L CB 0.208 42.204 42.059 -0.104 0.000 1.391 710 L HN 0.140 nan 8.230 nan 0.000 0.588 711 E N 0.054 120.302 120.200 0.080 0.000 2.432 711 E HA 0.150 4.503 4.350 0.004 0.000 0.241 711 E C -2.900 173.596 176.600 -0.174 0.000 1.072 711 E CA -0.632 55.727 56.400 -0.068 0.000 0.835 711 E CB -0.201 29.456 29.700 -0.073 0.000 1.026 711 E HN 0.014 nan 8.360 nan 0.000 0.426 712 P HA 0.534 nan 4.420 nan 0.000 0.313 712 P C -0.016 177.218 177.300 -0.109 0.000 1.480 712 P CA -0.338 62.734 63.100 -0.046 0.000 1.132 712 P CB 1.803 33.520 31.700 0.028 0.000 1.346 713 A N 2.525 125.306 122.820 -0.064 0.000 2.532 713 A HA 0.037 4.360 4.320 0.004 0.000 0.248 713 A C 0.420 177.924 177.584 -0.132 0.000 1.118 713 A CA 0.257 52.236 52.037 -0.097 0.000 0.805 713 A CB -0.287 18.703 19.000 -0.017 0.000 1.068 713 A HN 0.579 nan 8.150 nan 0.000 0.518 714 E N -0.427 119.687 120.200 -0.143 0.000 2.174 714 E HA 0.513 4.866 4.350 0.004 0.000 0.282 714 E C -0.017 176.571 176.600 -0.021 0.000 0.992 714 E CA 0.105 56.452 56.400 -0.088 0.000 0.803 714 E CB 1.599 31.239 29.700 -0.100 0.000 1.090 714 E HN 0.734 nan 8.360 nan 0.000 0.396 723 V N 1.263 121.188 119.914 0.019 0.000 2.462 723 V HA 0.106 4.228 4.120 0.004 0.000 0.233 723 V C 0.450 176.556 176.094 0.020 0.000 1.188 723 V CA 0.247 62.559 62.300 0.018 0.000 1.326 723 V CB -1.880 29.952 31.823 0.015 0.000 1.325 723 V HN 0.550 nan 8.190 nan 0.000 0.485 724 D N 7.339 127.753 120.400 0.023 0.000 5.758 724 D HA -0.123 4.520 4.640 0.004 0.000 0.222 724 D C -0.586 175.728 176.300 0.023 0.000 1.450 724 D CA -0.484 53.532 54.000 0.025 0.000 0.892 724 D CB 0.801 41.618 40.800 0.029 0.000 1.395 724 D HN 0.511 nan 8.370 nan 0.000 0.804 725 P HA -0.121 nan 4.420 nan 0.000 0.238 725 P C 0.495 177.807 177.300 0.020 0.000 1.175 725 P CA 0.856 63.968 63.100 0.019 0.000 0.757 725 P CB 0.047 31.758 31.700 0.018 0.000 0.839 726 A N -1.236 121.598 122.820 0.023 0.000 2.324 726 A HA 0.106 4.428 4.320 0.004 0.000 0.220 726 A C 1.047 178.646 177.584 0.025 0.000 1.209 726 A CA -0.023 52.029 52.037 0.025 0.000 0.918 726 A CB -0.075 18.944 19.000 0.031 0.000 0.959 726 A HN 0.064 nan 8.150 nan 0.000 0.507 727 K N 1.532 121.947 120.400 0.025 0.000 2.319 727 K HA 0.201 4.524 4.320 0.004 0.000 0.265 727 K C 0.162 176.770 176.600 0.013 0.000 1.000 727 K CA -0.276 56.026 56.287 0.025 0.000 0.943 727 K CB 0.659 33.177 32.500 0.028 0.000 0.950 727 K HN 0.516 nan 8.250 nan 0.000 0.485 728 R N 1.021 121.525 120.500 0.006 0.000 2.954 728 R HA 0.205 4.547 4.340 0.004 0.000 0.276 728 R C 0.273 176.572 176.300 -0.001 0.000 1.218 728 R CA -0.473 55.622 56.100 -0.009 0.000 1.149 728 R CB 0.032 30.320 30.300 -0.020 0.000 1.112 728 R HN 0.337 nan 8.270 nan 0.000 0.577 729 I N 1.426 121.993 120.570 -0.006 0.000 2.460 729 I HA 0.303 4.476 4.170 0.004 0.000 0.277 729 I C 0.277 176.389 176.117 -0.008 0.000 1.057 729 I CA -0.479 60.818 61.300 -0.005 0.000 1.179 729 I CB 0.604 38.601 38.000 -0.005 0.000 1.329 729 I HN 0.503 nan 8.210 nan 0.000 0.478 730 R N 2.603 123.095 120.500 -0.013 0.000 2.528 730 R HA 0.471 4.813 4.340 0.004 0.000 0.271 730 R C 1.009 177.293 176.300 -0.027 0.000 1.056 730 R CA -0.479 55.607 56.100 -0.023 0.000 1.117 730 R CB 1.813 32.093 30.300 -0.032 0.000 1.085 730 R HN 0.288 nan 8.270 nan 0.000 0.530 731 V N 0.032 119.932 119.914 -0.023 0.000 2.265 731 V HA -0.044 4.078 4.120 0.004 0.000 0.224 731 V C 0.776 176.870 176.094 0.001 0.000 1.023 731 V CA 1.060 63.364 62.300 0.005 0.000 1.011 731 V CB -0.304 31.529 31.823 0.017 0.000 0.651 731 V HN 0.758 nan 8.190 nan 0.000 0.466 732 S N -3.532 112.168 115.700 0.000 0.000 2.671 732 S HA 0.357 4.829 4.470 0.004 0.000 0.270 732 S C 0.189 174.764 174.600 -0.042 0.000 1.166 732 S CA -0.242 57.909 58.200 -0.082 0.000 0.868 732 S CB 0.710 63.885 63.200 -0.042 0.000 1.190 732 S HN 0.580 nan 8.310 nan 0.000 0.494 733 H N 0.357 119.406 119.070 -0.035 0.000 2.431 733 H HA 0.264 4.822 4.556 0.004 0.000 0.295 733 H C 0.174 175.543 175.328 0.069 0.000 1.038 733 H CA 0.656 56.727 56.048 0.037 0.000 1.360 733 H CB -0.137 29.621 29.762 -0.007 0.000 1.433 733 H HN 0.516 nan 8.280 nan 0.000 0.536 734 H N 1.064 120.211 119.070 0.129 0.000 1.568 734 H HA -0.009 4.549 4.556 0.004 0.000 0.337 734 H C -0.189 175.112 175.328 -0.045 0.000 0.797 734 H CA 0.805 56.869 56.048 0.027 0.000 1.118 734 H CB -1.298 28.466 29.762 0.005 0.000 1.507 734 H HN 0.524 nan 8.280 nan 0.000 0.273 735 A N 0.554 123.366 122.820 -0.013 0.000 2.586 735 A HA 0.429 4.752 4.320 0.004 0.000 0.298 735 A C 0.030 177.402 177.584 -0.352 0.000 1.013 735 A CA -0.504 51.384 52.037 -0.248 0.000 0.707 735 A CB 1.155 19.883 19.000 -0.452 0.000 1.276 735 A HN 0.185 nan 8.150 nan 0.000 0.414 736 T N 1.854 116.197 114.554 -0.352 0.000 3.905 736 T HA 0.441 4.794 4.350 0.004 0.000 0.227 736 T C 0.069 174.639 174.700 -0.217 0.000 1.055 736 T CA 0.694 62.650 62.100 -0.240 0.000 1.607 736 T CB 0.315 69.112 68.868 -0.120 0.000 0.781 736 T HN 0.797 nan 8.240 nan 0.000 0.639 737 T N -0.037 114.306 114.554 -0.351 0.000 3.236 737 T HA 0.304 4.656 4.350 0.004 0.000 0.265 737 T C 0.434 175.064 174.700 -0.117 0.000 0.912 737 T CA -0.404 61.569 62.100 -0.212 0.000 0.946 737 T CB -0.015 68.715 68.868 -0.230 0.000 1.241 737 T HN 0.491 nan 8.240 nan 0.000 0.513 738 F N 2.906 122.847 119.950 -0.015 0.000 2.118 738 F HA -0.206 4.323 4.527 0.004 0.000 0.407 738 F C 1.838 177.606 175.800 -0.054 0.000 0.793 738 F CA 0.954 58.948 58.000 -0.009 0.000 1.036 738 F CB 0.340 39.337 39.000 -0.005 0.000 0.824 738 F HN 0.242 nan 8.300 nan 0.000 0.552 739 T N -1.638 112.980 114.554 0.107 0.000 3.016 739 T HA 0.260 4.613 4.350 0.004 0.000 0.271 739 T C -0.712 173.760 174.700 -0.379 0.000 0.968 739 T CA 0.207 62.167 62.100 -0.234 0.000 0.891 739 T CB 0.174 68.766 68.868 -0.459 0.000 1.149 739 T HN 0.715 nan 8.240 nan 0.000 0.524 740 H N -0.455 118.690 119.070 0.125 0.000 3.120 740 H HA 0.545 5.104 4.556 0.004 0.000 0.314 740 H C -1.122 174.251 175.328 0.076 0.000 1.151 740 H CA -1.671 54.440 56.048 0.104 0.000 1.404 740 H CB -0.046 29.790 29.762 0.123 0.000 2.031 740 H HN 0.325 nan 8.280 nan 0.000 0.513 741 C N 2.211 121.617 119.300 0.177 0.000 2.355 741 C HA 0.665 5.128 4.460 0.004 0.000 0.332 741 C C 0.499 175.598 174.990 0.181 0.000 1.255 741 C CA -0.342 58.700 59.018 0.040 0.000 1.792 741 C CB 0.249 27.899 27.740 -0.149 0.000 2.300 741 C HN 0.984 nan 8.230 nan 0.000 0.515 742 E N 3.239 123.502 120.200 0.105 0.000 2.529 742 E HA 0.047 4.399 4.350 0.004 0.000 0.259 742 E C 1.256 177.966 176.600 0.184 0.000 0.966 742 E CA 0.103 56.572 56.400 0.115 0.000 0.937 742 E CB 0.357 30.110 29.700 0.088 0.000 0.923 742 E HN 0.578 nan 8.360 nan 0.000 0.468 743 I N 2.668 123.279 120.570 0.069 0.000 2.151 743 I HA -0.199 3.974 4.170 0.004 0.000 0.243 743 I C 0.749 176.888 176.117 0.037 0.000 1.080 743 I CA 1.724 62.992 61.300 -0.054 0.000 1.339 743 I CB -1.185 36.556 38.000 -0.431 0.000 1.039 743 I HN 0.683 nan 8.210 nan 0.000 0.409 744 H N -1.420 117.551 119.070 -0.165 0.000 3.411 744 H HA 0.138 4.697 4.556 0.004 0.000 0.378 744 H C -2.284 172.966 175.328 -0.130 0.000 1.619 744 H CA -0.736 55.204 56.048 -0.180 0.000 1.657 744 H CB 0.669 30.153 29.762 -0.464 0.000 2.666 744 H HN -0.256 nan 8.280 nan 0.000 0.380 745 P HA -0.299 nan 4.420 nan 0.000 0.219 745 P C 1.462 178.688 177.300 -0.123 0.000 1.158 745 P CA 2.621 65.504 63.100 -0.362 0.000 0.895 745 P CB 0.029 31.399 31.700 -0.550 0.000 0.792 746 S N -1.831 113.953 115.700 0.139 0.000 2.465 746 S HA -0.140 4.332 4.470 0.004 0.000 0.241 746 S C 1.580 176.287 174.600 0.177 0.000 1.000 746 S CA 1.120 59.547 58.200 0.378 0.000 0.964 746 S CB -1.127 62.467 63.200 0.656 0.000 0.763 746 S HN 0.018 nan 8.310 nan 0.000 0.512 747 M N 1.544 121.165 119.600 0.036 0.000 2.659 747 M HA 0.266 4.749 4.480 0.004 0.000 0.243 747 M C 1.606 177.787 176.300 -0.199 0.000 1.111 747 M CA 0.248 55.507 55.300 -0.068 0.000 1.070 747 M CB -1.414 31.083 32.600 -0.172 0.000 1.525 747 M HN 0.567 nan 8.290 nan 0.000 0.517 748 I N -2.299 118.096 120.570 -0.292 0.000 3.251 748 I HA 0.040 4.212 4.170 0.004 0.000 0.277 748 I C 0.850 176.817 176.117 -0.250 0.000 1.268 748 I CA 0.163 61.191 61.300 -0.453 0.000 1.449 748 I CB -0.361 37.181 38.000 -0.764 0.000 1.083 748 I HN -0.006 nan 8.210 nan 0.000 0.464 749 L N 1.489 122.634 121.223 -0.129 0.000 2.466 749 L HA 0.545 4.887 4.340 0.004 0.000 0.257 749 L C 0.856 177.689 176.870 -0.062 0.000 1.189 749 L CA -0.255 54.542 54.840 -0.072 0.000 0.813 749 L CB 0.615 42.667 42.059 -0.012 0.000 1.118 749 L HN 0.211 nan 8.230 nan 0.000 0.471 750 G N -0.250 108.513 108.800 -0.060 0.000 2.537 750 G HA2 0.430 4.393 3.960 0.004 0.000 0.323 750 G HA3 0.430 4.393 3.960 0.004 0.000 0.323 750 G C 0.674 175.550 174.900 -0.041 0.000 1.207 750 G CA -0.582 44.487 45.100 -0.052 0.000 0.976 750 G HN 0.433 nan 8.290 nan 0.000 0.487 751 V N 1.146 121.038 119.914 -0.036 0.000 2.232 751 V HA -0.368 3.755 4.120 0.004 0.000 0.254 751 V C 3.254 179.305 176.094 -0.072 0.000 1.058 751 V CA 3.620 65.892 62.300 -0.048 0.000 1.048 751 V CB -1.077 30.710 31.823 -0.059 0.000 0.668 751 V HN 0.985 nan 8.190 nan 0.000 0.462 752 A N -0.508 122.268 122.820 -0.073 0.000 1.859 752 A HA -0.309 4.014 4.320 0.004 0.000 0.218 752 A C 2.417 179.934 177.584 -0.112 0.000 1.242 752 A CA 3.636 55.621 52.037 -0.086 0.000 0.661 752 A CB -1.496 17.463 19.000 -0.067 0.000 0.842 752 A HN 1.007 nan 8.150 nan 0.000 0.455 753 A N -1.070 121.693 122.820 -0.095 0.000 1.948 753 A HA -0.130 4.193 4.320 0.004 0.000 0.220 753 A C 2.310 179.821 177.584 -0.122 0.000 1.177 753 A CA 2.274 54.248 52.037 -0.105 0.000 0.636 753 A CB -1.167 17.783 19.000 -0.082 0.000 0.815 753 A HN 0.605 nan 8.150 nan 0.000 0.449 754 S N -0.383 115.260 115.700 -0.094 0.000 2.481 754 S HA -0.144 4.328 4.470 0.004 0.000 0.253 754 S C 1.418 175.912 174.600 -0.177 0.000 0.998 754 S CA 1.195 59.346 58.200 -0.082 0.000 0.972 754 S CB -0.339 62.847 63.200 -0.023 0.000 0.751 754 S HN 0.485 nan 8.310 nan 0.000 0.515 755 I N 0.662 121.076 120.570 -0.261 0.000 3.419 755 I HA 0.204 4.377 4.170 0.004 0.000 0.286 755 I C 0.657 176.536 176.117 -0.396 0.000 1.268 755 I CA 0.127 61.165 61.300 -0.437 0.000 1.414 755 I CB -0.659 36.997 38.000 -0.573 0.000 1.074 755 I HN 0.213 nan 8.210 nan 0.000 0.457 756 I N 4.632 125.024 120.570 -0.296 0.000 2.533 756 I HA 0.038 4.211 4.170 0.004 0.000 0.284 756 I C -1.850 174.076 176.117 -0.319 0.000 1.109 756 I CA -1.280 59.834 61.300 -0.310 0.000 1.412 756 I CB 0.594 38.439 38.000 -0.258 0.000 1.396 756 I HN -0.076 nan 8.210 nan 0.000 0.543 757 P HA 0.099 nan 4.420 nan 0.000 0.281 757 P C -0.308 176.855 177.300 -0.228 0.000 1.286 757 P CA 0.050 62.900 63.100 -0.416 0.000 0.772 757 P CB 0.084 31.554 31.700 -0.382 0.000 0.862 758 F N 2.334 122.194 119.950 -0.150 0.000 3.040 758 F HA -0.146 4.384 4.527 0.004 0.000 0.298 758 F C -0.971 174.791 175.800 -0.064 0.000 0.948 758 F CA -0.607 57.342 58.000 -0.085 0.000 1.022 758 F CB -1.455 37.497 39.000 -0.081 0.000 1.023 758 F HN 0.325 nan 8.300 nan 0.000 0.742 759 P HA -0.120 nan 4.420 nan 0.000 0.239 759 P C 0.937 178.253 177.300 0.027 0.000 1.184 759 P CA 1.596 64.697 63.100 0.002 0.000 0.760 759 P CB 0.118 31.779 31.700 -0.065 0.000 0.884 760 D N -0.099 120.309 120.400 0.012 0.000 2.077 760 D HA -0.197 4.446 4.640 0.004 0.000 0.196 760 D C 1.267 177.564 176.300 -0.005 0.000 0.986 760 D CA 1.150 55.135 54.000 -0.026 0.000 0.829 760 D CB -1.995 38.726 40.800 -0.133 0.000 0.983 760 D HN 0.354 nan 8.370 nan 0.000 0.453 761 H N 0.623 119.663 119.070 -0.050 0.000 4.635 761 H HA 0.214 4.772 4.556 0.004 0.000 0.197 761 H C -0.354 174.985 175.328 0.018 0.000 1.041 761 H CA 0.155 56.177 56.048 -0.043 0.000 1.280 761 H CB -1.236 28.461 29.762 -0.109 0.000 1.415 761 H HN 0.171 nan 8.280 nan 0.000 0.875 762 N N 1.121 119.889 118.700 0.113 0.000 2.503 762 N HA -0.011 4.732 4.740 0.004 0.000 0.287 762 N C -0.957 174.591 175.510 0.062 0.000 1.096 762 N CA -0.505 52.610 53.050 0.108 0.000 0.936 762 N CB 2.006 40.567 38.487 0.123 0.000 1.570 762 N HN 0.245 nan 8.380 nan 0.000 0.504 763 Q N 1.735 121.569 119.800 0.057 0.000 2.308 763 Q HA -0.042 4.300 4.340 0.004 0.000 0.313 763 Q C 0.441 176.449 176.000 0.014 0.000 1.075 763 Q CA 0.626 56.449 55.803 0.033 0.000 0.995 763 Q CB 0.552 29.313 28.738 0.038 0.000 1.107 763 Q HN 0.684 nan 8.270 nan 0.000 0.380 764 S N 4.892 120.588 115.700 -0.006 0.000 2.387 764 S HA -0.100 4.373 4.470 0.004 0.000 0.230 764 S C -1.106 173.435 174.600 -0.098 0.000 1.035 764 S CA 1.534 59.712 58.200 -0.036 0.000 1.014 764 S CB -0.344 62.838 63.200 -0.031 0.000 0.836 764 S HN 0.717 nan 8.310 nan 0.000 0.466 765 P HA 0.052 nan 4.420 nan 0.000 0.235 765 P C 1.184 178.211 177.300 -0.455 0.000 1.177 765 P CA 0.444 63.357 63.100 -0.311 0.000 0.785 765 P CB 0.107 31.634 31.700 -0.287 0.000 0.885 766 R N 1.008 121.437 120.500 -0.118 0.000 2.088 766 R HA -0.102 4.240 4.340 0.004 0.000 0.232 766 R C 2.010 178.318 176.300 0.014 0.000 1.136 766 R CA 1.194 57.358 56.100 0.106 0.000 0.926 766 R CB -1.747 28.645 30.300 0.153 0.000 0.837 766 R HN 0.162 nan 8.270 nan 0.000 0.429 767 N N 0.061 118.750 118.700 -0.017 0.000 2.139 767 N HA -0.180 4.562 4.740 0.004 0.000 0.199 767 N C 1.627 177.091 175.510 -0.076 0.000 1.003 767 N CA 2.274 55.299 53.050 -0.042 0.000 0.892 767 N CB -0.641 37.815 38.487 -0.052 0.000 1.039 767 N HN 0.293 nan 8.380 nan 0.000 0.461 768 T N -0.264 114.190 114.554 -0.167 0.000 2.915 768 T HA -0.046 4.307 4.350 0.004 0.000 0.269 768 T C 1.610 176.239 174.700 -0.118 0.000 1.071 768 T CA 0.806 62.791 62.100 -0.192 0.000 1.132 768 T CB -0.253 68.437 68.868 -0.296 0.000 0.878 768 T HN 0.390 nan 8.240 nan 0.000 0.479 769 Y N 1.129 121.422 120.300 -0.012 0.000 2.153 769 Y HA -0.113 4.439 4.550 0.004 0.000 0.289 769 Y C 2.901 178.791 175.900 -0.017 0.000 1.127 769 Y CA 0.590 58.683 58.100 -0.011 0.000 1.131 769 Y CB -0.279 38.181 38.460 -0.000 0.000 0.995 769 Y HN 0.078 nan 8.280 nan 0.000 0.505 770 Q N 0.833 120.732 119.800 0.164 0.000 2.389 770 Q HA -0.154 4.189 4.340 0.004 0.000 0.213 770 Q C 1.371 177.382 176.000 0.019 0.000 0.989 770 Q CA 1.882 57.727 55.803 0.070 0.000 0.891 770 Q CB -0.410 28.346 28.738 0.030 0.000 0.923 770 Q HN 0.259 nan 8.270 nan 0.000 0.455 771 S N -1.257 114.451 115.700 0.012 0.000 2.556 771 S HA 0.392 4.864 4.470 0.004 0.000 0.216 771 S C 1.110 175.704 174.600 -0.010 0.000 0.970 771 S CA 0.230 58.418 58.200 -0.020 0.000 0.912 771 S CB 0.652 63.825 63.200 -0.046 0.000 0.790 771 S HN 0.497 nan 8.310 nan 0.000 0.504 772 A N 0.433 123.264 122.820 0.018 0.000 2.192 772 A HA 0.448 4.770 4.320 0.004 0.000 0.208 772 A C 1.720 179.301 177.584 -0.005 0.000 1.220 772 A CA 0.016 52.058 52.037 0.010 0.000 0.900 772 A CB -0.101 18.925 19.000 0.045 0.000 0.937 772 A HN 0.384 nan 8.150 nan 0.000 0.487 773 M N -0.769 118.836 119.600 0.008 0.000 2.398 773 M HA 0.091 4.573 4.480 0.004 0.000 0.261 773 M C 2.201 178.492 176.300 -0.015 0.000 1.125 773 M CA 1.141 56.435 55.300 -0.010 0.000 1.183 773 M CB -0.270 32.334 32.600 0.006 0.000 1.322 773 M HN 0.462 nan 8.290 nan 0.000 0.467 774 G N 1.276 110.077 108.800 0.002 0.000 2.697 774 G HA2 -0.244 3.718 3.960 0.004 0.000 0.223 774 G HA3 -0.244 3.718 3.960 0.004 0.000 0.223 774 G C 1.150 176.072 174.900 0.037 0.000 1.083 774 G CA 1.059 46.173 45.100 0.025 0.000 0.722 774 G HN 0.453 nan 8.290 nan 0.000 0.604 775 K N -0.582 119.815 120.400 -0.005 0.000 2.493 775 K HA 0.246 4.569 4.320 0.004 0.000 0.207 775 K C 0.946 177.495 176.600 -0.085 0.000 1.033 775 K CA 0.029 56.305 56.287 -0.019 0.000 1.161 775 K CB 0.626 33.097 32.500 -0.048 0.000 0.873 775 K HN 0.264 nan 8.250 nan 0.000 0.491 776 Q N -0.094 119.642 119.800 -0.106 0.000 2.036 776 Q HA 0.223 4.565 4.340 0.004 0.000 0.208 776 Q C -0.644 175.248 176.000 -0.180 0.000 0.770 776 Q CA -0.281 55.340 55.803 -0.304 0.000 0.992 776 Q CB 1.540 30.101 28.738 -0.295 0.000 1.209 776 Q HN 0.282 nan 8.270 nan 0.000 0.445 777 A N 0.818 123.653 122.820 0.026 0.000 2.371 777 A HA 0.508 4.830 4.320 0.004 0.000 0.257 777 A C -0.251 177.481 177.584 0.246 0.000 1.089 777 A CA -0.064 52.035 52.037 0.104 0.000 0.794 777 A CB 0.398 19.492 19.000 0.156 0.000 1.029 777 A HN 0.340 nan 8.150 nan 0.000 0.488 778 M N 1.006 120.719 119.600 0.187 0.000 2.342 778 M HA 0.583 5.065 4.480 0.004 0.000 0.332 778 M C 0.552 176.931 176.300 0.132 0.000 1.166 778 M CA 0.979 56.394 55.300 0.191 0.000 1.086 778 M CB 1.751 34.428 32.600 0.129 0.000 1.541 778 M HN 1.078 nan 8.290 nan 0.000 0.462 779 G N 0.545 109.386 108.800 0.069 0.000 2.327 779 G HA2 0.241 4.204 3.960 0.004 0.000 0.291 779 G HA3 0.241 4.204 3.960 0.004 0.000 0.291 779 G C -1.847 173.050 174.900 -0.005 0.000 1.290 779 G CA -1.003 44.122 45.100 0.041 0.000 0.857 779 G HN 0.517 nan 8.290 nan 0.000 0.520 780 V N 2.178 122.061 119.914 -0.051 0.000 2.381 780 V HA 0.250 4.373 4.120 0.004 0.000 0.257 780 V C 1.414 177.468 176.094 -0.066 0.000 1.057 780 V CA 0.650 62.882 62.300 -0.113 0.000 1.013 780 V CB -0.552 31.178 31.823 -0.154 0.000 1.069 780 V HN 0.736 nan 8.190 nan 0.000 0.484 781 F N 4.460 124.390 119.950 -0.033 0.000 2.512 781 F HA 0.484 5.013 4.527 0.004 0.000 0.296 781 F C 0.298 176.111 175.800 0.022 0.000 1.110 781 F CA 0.078 58.091 58.000 0.021 0.000 1.446 781 F CB 0.022 39.030 39.000 0.014 0.000 1.092 781 F HN 0.253 nan 8.300 nan 0.000 0.554 782 L N 0.063 121.016 121.223 -0.451 0.000 2.611 782 L HA 0.168 4.510 4.340 0.004 0.000 0.260 782 L C 0.950 177.658 176.870 -0.269 0.000 0.924 782 L CA -0.490 54.204 54.840 -0.243 0.000 0.901 782 L CB 1.963 43.999 42.059 -0.037 0.000 1.369 782 L HN -0.122 nan 8.230 nan 0.000 0.415 783 T N -0.057 114.422 114.554 -0.124 0.000 2.624 783 T HA -0.204 4.148 4.350 0.004 0.000 0.266 783 T C 1.166 175.702 174.700 -0.273 0.000 1.050 783 T CA 2.390 64.424 62.100 -0.110 0.000 1.163 783 T CB -0.370 68.567 68.868 0.114 0.000 0.861 783 T HN 0.747 nan 8.240 nan 0.000 0.443 784 N N 1.832 120.414 118.700 -0.196 0.000 2.652 784 N HA -0.015 4.728 4.740 0.004 0.000 0.259 784 N C 0.922 176.252 175.510 -0.299 0.000 1.240 784 N CA -0.174 52.736 53.050 -0.232 0.000 0.951 784 N CB -0.802 37.631 38.487 -0.090 0.000 1.281 784 N HN 0.664 nan 8.380 nan 0.000 0.507 785 Y N -0.724 119.360 120.300 -0.360 0.000 2.314 785 Y HA 0.090 4.642 4.550 0.004 0.000 0.293 785 Y C 1.824 177.517 175.900 -0.344 0.000 1.129 785 Y CA 0.635 58.454 58.100 -0.469 0.000 1.201 785 Y CB -1.112 36.912 38.460 -0.727 0.000 0.999 785 Y HN 0.153 nan 8.280 nan 0.000 0.541 786 N N 0.435 118.827 118.700 -0.513 0.000 2.364 786 N HA -0.114 4.629 4.740 0.004 0.000 0.183 786 N C 0.793 176.222 175.510 -0.135 0.000 1.022 786 N CA 1.403 54.310 53.050 -0.238 0.000 0.883 786 N CB -0.042 38.252 38.487 -0.322 0.000 0.965 786 N HN 0.288 nan 8.380 nan 0.000 0.438 787 V N -0.298 119.536 119.914 -0.134 0.000 3.578 787 V HA 0.255 4.378 4.120 0.004 0.000 0.290 787 V C 0.401 176.482 176.094 -0.021 0.000 1.376 787 V CA 0.047 62.309 62.300 -0.064 0.000 1.083 787 V CB -0.206 31.581 31.823 -0.060 0.000 0.911 787 V HN 0.149 nan 8.190 nan 0.000 0.433 788 R N 0.542 121.034 120.500 -0.012 0.000 2.598 788 R HA 0.675 5.017 4.340 0.004 0.000 0.279 788 R C -0.439 175.876 176.300 0.025 0.000 0.984 788 R CA -0.428 55.696 56.100 0.039 0.000 0.999 788 R CB 1.454 31.815 30.300 0.102 0.000 1.114 788 R HN 0.127 nan 8.270 nan 0.000 0.493 789 M N 3.290 122.916 119.600 0.043 0.000 2.016 789 M HA 0.231 4.714 4.480 0.004 0.000 0.315 789 M C -1.515 174.806 176.300 0.036 0.000 0.930 789 M CA -0.645 54.675 55.300 0.032 0.000 0.899 789 M CB 1.179 33.804 32.600 0.042 0.000 1.401 789 M HN 0.613 nan 8.290 nan 0.000 0.386 790 D N 0.471 120.884 120.400 0.023 0.000 2.374 790 D HA 0.471 5.113 4.640 0.004 0.000 0.239 790 D C -0.298 175.998 176.300 -0.007 0.000 0.991 790 D CA -0.510 53.495 54.000 0.008 0.000 0.960 790 D CB 0.811 41.605 40.800 -0.011 0.000 1.284 790 D HN 0.223 nan 8.370 nan 0.000 0.512 791 T N 0.766 115.307 114.554 -0.021 0.000 2.779 791 T HA 0.330 4.682 4.350 0.004 0.000 0.296 791 T C 0.531 175.229 174.700 -0.003 0.000 0.938 791 T CA -0.472 61.604 62.100 -0.041 0.000 1.119 791 T CB -0.230 68.610 68.868 -0.048 0.000 0.891 791 T HN 0.458 nan 8.240 nan 0.000 0.526 792 M N 1.368 120.989 119.600 0.035 0.000 5.632 792 M HA -0.081 4.402 4.480 0.004 0.000 0.157 792 M C -0.412 175.944 176.300 0.094 0.000 1.214 792 M CA 0.842 56.236 55.300 0.156 0.000 1.190 792 M CB -0.425 32.290 32.600 0.193 0.000 1.066 792 M HN 1.215 nan 8.290 nan 0.000 0.190 793 A N 3.707 126.618 122.820 0.152 0.000 2.538 793 A HA 0.508 4.831 4.320 0.004 0.000 0.306 793 A C -1.435 176.223 177.584 0.124 0.000 0.999 793 A CA -0.740 51.322 52.037 0.043 0.000 0.829 793 A CB 0.846 19.934 19.000 0.147 0.000 1.143 793 A HN 0.816 nan 8.150 nan 0.000 0.378 794 N N 0.784 119.429 118.700 -0.091 0.000 2.319 794 N HA 0.782 5.525 4.740 0.004 0.000 0.305 794 N C -1.191 174.267 175.510 -0.088 0.000 1.103 794 N CA -0.649 52.403 53.050 0.002 0.000 0.815 794 N CB 1.980 40.413 38.487 -0.090 0.000 1.288 794 N HN 0.482 nan 8.380 nan 0.000 0.493 795 I N 0.821 121.357 120.570 -0.056 0.000 2.934 795 I HA 0.358 4.530 4.170 0.004 0.000 0.306 795 I C -0.707 175.413 176.117 0.004 0.000 1.110 795 I CA -0.745 60.469 61.300 -0.143 0.000 1.019 795 I CB 1.428 39.159 38.000 -0.448 0.000 1.227 795 I HN 0.319 nan 8.210 nan 0.000 0.434 796 L N 3.006 124.246 121.223 0.029 0.000 2.326 796 L HA 0.339 4.682 4.340 0.004 0.000 0.278 796 L C 0.415 177.392 176.870 0.179 0.000 1.092 796 L CA 0.328 55.255 54.840 0.145 0.000 0.810 796 L CB 0.567 42.704 42.059 0.129 0.000 1.153 796 L HN 0.457 nan 8.230 nan 0.000 0.439 797 Y N 3.279 123.621 120.300 0.071 0.000 2.084 797 Y HA -0.161 4.390 4.550 0.003 0.000 0.279 797 Y C 0.475 176.316 175.900 -0.099 0.000 1.119 797 Y CA 1.792 59.903 58.100 0.018 0.000 1.101 797 Y CB -0.240 38.392 38.460 0.287 0.000 0.989 797 Y HN 0.468 nan 8.280 nan 0.000 0.484 798 Y N 0.394 120.789 120.300 0.158 0.000 2.783 798 Y HA 0.351 4.903 4.550 0.004 0.000 0.382 798 Y C -2.233 173.673 175.900 0.009 0.000 1.076 798 Y CA -3.881 54.256 58.100 0.062 0.000 1.530 798 Y CB -1.019 37.457 38.460 0.026 0.000 1.546 798 Y HN -0.030 nan 8.280 nan 0.000 0.537 799 P HA -0.129 nan 4.420 nan 0.000 0.263 799 P C -0.193 177.126 177.300 0.032 0.000 1.162 799 P CA 0.701 63.824 63.100 0.038 0.000 0.758 799 P CB 0.628 32.313 31.700 -0.024 0.000 0.773 800 Q N 1.527 121.355 119.800 0.047 0.000 2.372 800 Q HA 0.314 4.657 4.340 0.004 0.000 0.273 800 Q C -0.477 175.607 176.000 0.139 0.000 1.078 800 Q CA -1.043 54.806 55.803 0.077 0.000 0.806 800 Q CB 1.681 30.465 28.738 0.076 0.000 1.332 800 Q HN 0.303 nan 8.270 nan 0.000 0.435 801 K N 2.992 123.421 120.400 0.049 0.000 2.154 801 K HA 0.515 4.837 4.320 0.004 0.000 0.264 801 K C -2.466 174.143 176.600 0.016 0.000 1.008 801 K CA -1.470 54.791 56.287 -0.043 0.000 0.937 801 K CB 1.015 33.464 32.500 -0.087 0.000 1.002 801 K HN 0.281 nan 8.250 nan 0.000 0.469 802 P HA 0.062 nan 4.420 nan 0.000 0.276 802 P C 0.281 177.474 177.300 -0.178 0.000 1.244 802 P CA -0.487 62.332 63.100 -0.468 0.000 0.801 802 P CB 0.985 31.919 31.700 -1.277 0.000 1.006 803 L N 0.267 121.443 121.223 -0.078 0.000 2.313 803 L HA 0.132 4.474 4.340 0.004 0.000 0.214 803 L C 1.496 178.286 176.870 -0.133 0.000 1.119 803 L CA 0.932 55.728 54.840 -0.073 0.000 0.809 803 L CB -0.515 41.526 42.059 -0.029 0.000 0.933 803 L HN 0.512 nan 8.230 nan 0.000 0.449 804 G N -0.127 108.563 108.800 -0.183 0.000 2.468 804 G HA2 0.453 4.415 3.960 0.004 0.000 0.320 804 G HA3 0.453 4.415 3.960 0.004 0.000 0.320 804 G C -0.212 174.503 174.900 -0.308 0.000 1.137 804 G CA -0.112 44.836 45.100 -0.253 0.000 0.984 804 G HN 0.058 nan 8.290 nan 0.000 0.462 805 T N -0.814 113.562 114.554 -0.296 0.000 2.919 805 T HA 0.784 5.137 4.350 0.004 0.000 0.282 805 T C 0.032 174.543 174.700 -0.314 0.000 1.020 805 T CA -0.628 61.299 62.100 -0.288 0.000 0.994 805 T CB 2.200 70.931 68.868 -0.228 0.000 1.180 805 T HN 0.222 nan 8.240 nan 0.000 0.566 806 T N 0.424 114.802 114.554 -0.294 0.000 2.918 806 T HA 0.461 4.814 4.350 0.004 0.000 0.286 806 T C 1.063 175.554 174.700 -0.347 0.000 1.026 806 T CA -0.845 61.087 62.100 -0.280 0.000 1.031 806 T CB 1.795 70.518 68.868 -0.242 0.000 1.046 806 T HN 0.525 nan 8.240 nan 0.000 0.479 807 R N 1.281 121.512 120.500 -0.448 0.000 2.119 807 R HA 0.121 4.464 4.340 0.004 0.000 0.222 807 R C 1.679 177.508 176.300 -0.784 0.000 1.088 807 R CA 0.665 56.274 56.100 -0.817 0.000 0.984 807 R CB -0.495 28.935 30.300 -1.449 0.000 0.884 807 R HN 0.650 nan 8.270 nan 0.000 0.447 808 A N -0.247 122.335 122.820 -0.397 0.000 2.302 808 A HA 0.091 4.413 4.320 0.004 0.000 0.219 808 A C 1.721 179.201 177.584 -0.174 0.000 1.243 808 A CA -0.009 51.987 52.037 -0.068 0.000 0.856 808 A CB -0.238 18.969 19.000 0.345 0.000 0.893 808 A HN 0.185 nan 8.150 nan 0.000 0.491 809 M N -1.234 118.203 119.600 -0.271 0.000 2.288 809 M HA -0.074 4.408 4.480 0.004 0.000 0.266 809 M C 1.980 178.139 176.300 -0.235 0.000 1.072 809 M CA 1.439 56.626 55.300 -0.189 0.000 1.132 809 M CB -0.054 32.456 32.600 -0.150 0.000 1.386 809 M HN 0.668 nan 8.290 nan 0.000 0.432 810 E N 0.356 120.291 120.200 -0.442 0.000 2.114 810 E HA -0.245 4.108 4.350 0.004 0.000 0.199 810 E C 1.286 177.588 176.600 -0.496 0.000 1.008 810 E CA 1.993 58.089 56.400 -0.507 0.000 0.810 810 E CB -0.169 29.116 29.700 -0.692 0.000 0.739 810 E HN 0.661 nan 8.360 nan 0.000 0.456 811 Y N -0.545 119.697 120.300 -0.096 0.000 2.544 811 Y HA 0.107 4.660 4.550 0.004 0.000 0.286 811 Y C 1.657 177.423 175.900 -0.224 0.000 1.141 811 Y CA -0.078 57.864 58.100 -0.264 0.000 1.299 811 Y CB 0.283 38.327 38.460 -0.694 0.000 1.030 811 Y HN 0.068 nan 8.280 nan 0.000 0.543 812 L N 0.451 121.649 121.223 -0.041 0.000 2.611 812 L HA 0.044 4.387 4.340 0.004 0.000 0.229 812 L C 0.294 177.301 176.870 0.228 0.000 1.137 812 L CA 0.278 55.150 54.840 0.054 0.000 0.901 812 L CB -0.091 41.985 42.059 0.028 0.000 1.098 812 L HN 0.145 nan 8.230 nan 0.000 0.456 813 K N -0.686 119.815 120.400 0.169 0.000 3.003 813 K HA -0.268 4.055 4.320 0.004 0.000 0.257 813 K C 0.762 177.402 176.600 0.068 0.000 0.958 813 K CA 0.635 57.006 56.287 0.141 0.000 0.707 813 K CB -2.313 30.322 32.500 0.226 0.000 1.279 813 K HN 0.225 nan 8.250 nan 0.000 0.479 814 F N 1.305 121.237 119.950 -0.032 0.000 2.187 814 F HA -0.050 4.479 4.527 0.004 0.000 0.295 814 F C 1.933 177.671 175.800 -0.102 0.000 1.091 814 F CA 1.067 59.036 58.000 -0.051 0.000 1.308 814 F CB 0.211 39.168 39.000 -0.073 0.000 1.030 814 F HN 0.105 nan 8.300 nan 0.000 0.487 815 R N 0.134 120.564 120.500 -0.117 0.000 2.339 815 R HA -0.025 4.318 4.340 0.004 0.000 0.199 815 R C 0.801 176.976 176.300 -0.209 0.000 1.018 815 R CA 0.799 56.787 56.100 -0.187 0.000 1.036 815 R CB -0.456 29.785 30.300 -0.099 0.000 0.899 815 R HN 0.325 nan 8.270 nan 0.000 0.473 816 E N 0.354 120.406 120.200 -0.246 0.000 2.290 816 E HA 0.155 4.508 4.350 0.004 0.000 0.197 816 E C 0.660 176.968 176.600 -0.487 0.000 0.948 816 E CA 0.442 56.675 56.400 -0.280 0.000 0.895 816 E CB 0.403 29.988 29.700 -0.191 0.000 0.865 816 E HN 0.090 nan 8.360 nan 0.000 0.486 817 L N 1.239 122.126 121.223 -0.560 0.000 3.186 817 L HA 0.341 4.684 4.340 0.004 0.000 0.292 817 L C -2.419 174.173 176.870 -0.464 0.000 1.303 817 L CA -1.617 52.881 54.840 -0.570 0.000 0.940 817 L CB 0.871 42.441 42.059 -0.815 0.000 1.358 817 L HN -0.101 nan 8.230 nan 0.000 0.581 818 P HA 0.081 nan 4.420 nan 0.000 0.272 818 P C -0.564 176.558 177.300 -0.295 0.000 1.225 818 P CA 0.151 62.832 63.100 -0.697 0.000 0.800 818 P CB 0.611 32.070 31.700 -0.401 0.000 0.894 819 A N 0.241 123.007 122.820 -0.090 0.000 2.532 819 A HA 0.669 4.992 4.320 0.004 0.000 0.296 819 A C -0.367 177.379 177.584 0.270 0.000 1.058 819 A CA 0.125 52.238 52.037 0.127 0.000 0.729 819 A CB 0.875 19.993 19.000 0.197 0.000 1.285 819 A HN 0.931 nan 8.150 nan 0.000 0.396 820 G N 0.790 109.693 108.800 0.173 0.000 2.784 820 G HA2 0.281 4.243 3.960 0.004 0.000 0.686 820 G HA3 0.281 4.243 3.960 0.004 0.000 0.686 820 G C -0.904 173.818 174.900 -0.296 0.000 1.156 820 G CA -0.194 44.916 45.100 0.016 0.000 0.757 820 G HN 1.004 nan 8.290 nan 0.000 0.642 821 Q N -0.358 119.273 119.800 -0.281 0.000 2.306 821 Q HA 0.520 4.863 4.340 0.004 0.000 0.269 821 Q C 0.035 175.765 176.000 -0.449 0.000 1.053 821 Q CA -1.097 54.460 55.803 -0.409 0.000 0.879 821 Q CB 1.193 29.505 28.738 -0.710 0.000 1.344 821 Q HN 0.441 nan 8.270 nan 0.000 0.464 822 N N 0.911 119.485 118.700 -0.210 0.000 3.322 822 N HA 0.253 4.995 4.740 0.004 0.000 0.290 822 N C -1.336 174.111 175.510 -0.106 0.000 1.297 822 N CA 0.008 53.034 53.050 -0.040 0.000 1.167 822 N CB 0.452 38.994 38.487 0.092 0.000 1.434 822 N HN 0.548 nan 8.380 nan 0.000 0.526 823 A N 1.879 124.615 122.820 -0.140 0.000 2.498 823 A HA 0.163 4.485 4.320 0.004 0.000 0.239 823 A C 0.618 178.088 177.584 -0.191 0.000 1.068 823 A CA -0.146 51.774 52.037 -0.195 0.000 0.766 823 A CB 0.300 19.171 19.000 -0.215 0.000 1.003 823 A HN 0.378 nan 8.150 nan 0.000 0.497 824 I N 2.980 123.410 120.570 -0.233 0.000 2.452 824 I HA 0.139 4.311 4.170 0.004 0.000 0.287 824 I C 0.255 176.141 176.117 -0.385 0.000 1.079 824 I CA 0.393 61.500 61.300 -0.323 0.000 1.387 824 I CB 0.462 38.266 38.000 -0.326 0.000 1.404 824 I HN 0.276 nan 8.210 nan 0.000 0.522 825 V N 6.213 125.879 119.914 -0.413 0.000 2.628 825 V HA 0.789 4.912 4.120 0.004 0.000 0.306 825 V C -0.018 175.891 176.094 -0.308 0.000 1.045 825 V CA -0.599 61.511 62.300 -0.316 0.000 0.905 825 V CB 2.023 33.755 31.823 -0.151 0.000 0.997 825 V HN 0.881 nan 8.190 nan 0.000 0.436 826 A N 6.187 128.945 122.820 -0.104 0.000 2.353 826 A HA 0.760 5.083 4.320 0.004 0.000 0.299 826 A C -0.821 176.834 177.584 0.118 0.000 1.089 826 A CA -0.487 51.626 52.037 0.127 0.000 0.736 826 A CB 0.765 19.977 19.000 0.353 0.000 1.195 826 A HN 0.730 nan 8.150 nan 0.000 0.447 827 I N 2.204 122.884 120.570 0.183 0.000 2.371 827 I HA 0.560 4.733 4.170 0.004 0.000 0.290 827 I C 0.563 176.768 176.117 0.148 0.000 1.028 827 I CA 0.489 61.875 61.300 0.143 0.000 1.345 827 I CB 1.234 39.329 38.000 0.158 0.000 1.407 827 I HN 0.899 nan 8.210 nan 0.000 0.501 828 A N 4.921 127.814 122.820 0.122 0.000 2.583 828 A HA 0.315 4.638 4.320 0.004 0.000 0.300 828 A C -1.356 176.326 177.584 0.163 0.000 0.966 828 A CA -0.683 51.443 52.037 0.149 0.000 0.673 828 A CB 0.215 19.320 19.000 0.174 0.000 1.297 828 A HN 0.612 nan 8.150 nan 0.000 0.418 829 C N 1.638 121.046 119.300 0.180 0.000 2.435 829 C HA 0.689 5.151 4.460 0.004 0.000 0.375 829 C C 0.631 175.776 174.990 0.258 0.000 1.281 829 C CA 0.393 59.520 59.018 0.180 0.000 1.963 829 C CB -0.505 27.319 27.740 0.140 0.000 2.490 829 C HN 0.830 nan 8.230 nan 0.000 0.557 830 Y N 1.496 121.845 120.300 0.082 0.000 2.340 830 Y HA 0.168 4.720 4.550 0.004 0.000 0.094 830 Y C 2.299 178.294 175.900 0.158 0.000 1.091 830 Y CA 0.920 59.085 58.100 0.109 0.000 1.743 830 Y CB -0.412 38.111 38.460 0.105 0.000 1.093 830 Y HN 0.557 nan 8.280 nan 0.000 0.228 831 S N 0.151 116.107 115.700 0.425 0.000 2.442 831 S HA 0.078 4.550 4.470 0.004 0.000 0.236 831 S C 1.480 176.257 174.600 0.296 0.000 1.007 831 S CA 1.024 59.474 58.200 0.417 0.000 0.965 831 S CB -0.824 62.825 63.200 0.750 0.000 0.773 831 S HN 1.472 nan 8.310 nan 0.000 0.504 832 G N -0.052 108.880 108.800 0.219 0.000 2.171 832 G HA2 -0.274 3.688 3.960 0.004 0.000 0.238 832 G HA3 -0.274 3.688 3.960 0.004 0.000 0.238 832 G C -0.041 174.844 174.900 -0.026 0.000 1.039 832 G CA 0.267 45.408 45.100 0.067 0.000 0.759 832 G HN 0.581 nan 8.290 nan 0.000 0.501 833 Y N 0.572 120.898 120.300 0.043 0.000 2.681 833 Y HA 0.301 4.853 4.550 0.004 0.000 0.267 833 Y C 1.111 176.992 175.900 -0.031 0.000 1.166 833 Y CA 0.040 58.145 58.100 0.009 0.000 1.209 833 Y CB 0.696 39.158 38.460 0.004 0.000 1.161 833 Y HN 0.468 nan 8.280 nan 0.000 0.534 834 N N -0.513 118.237 118.700 0.083 0.000 2.703 834 N HA 0.174 4.917 4.740 0.004 0.000 0.283 834 N C -1.002 174.522 175.510 0.023 0.000 1.851 834 N CA -0.289 52.785 53.050 0.039 0.000 0.826 834 N CB 0.041 38.541 38.487 0.022 0.000 1.239 834 N HN 0.229 nan 8.380 nan 0.000 0.495 835 Q N 0.090 119.890 119.800 -0.001 0.000 2.351 835 Q HA 0.370 4.712 4.340 0.004 0.000 0.273 835 Q C -0.476 175.514 176.000 -0.017 0.000 1.077 835 Q CA -0.774 55.016 55.803 -0.021 0.000 0.843 835 Q CB 1.702 30.401 28.738 -0.066 0.000 1.367 835 Q HN 0.182 nan 8.270 nan 0.000 0.449 836 E N 1.776 121.966 120.200 -0.016 0.000 2.165 836 E HA -0.260 4.093 4.350 0.004 0.000 0.203 836 E C -1.253 175.345 176.600 -0.003 0.000 1.335 836 E CA 1.364 57.758 56.400 -0.011 0.000 0.708 836 E CB -1.689 27.997 29.700 -0.024 0.000 1.105 836 E HN 0.832 nan 8.360 nan 0.000 0.346 837 D N -1.653 118.753 120.400 0.010 0.000 2.718 837 D HA -0.166 4.476 4.640 0.004 0.000 0.242 837 D C -0.390 175.922 176.300 0.020 0.000 1.123 837 D CA 1.224 55.233 54.000 0.016 0.000 0.690 837 D CB -1.136 39.669 40.800 0.009 0.000 1.059 837 D HN 0.331 nan 8.370 nan 0.000 0.429 838 S N -0.210 115.501 115.700 0.018 0.000 2.786 838 S HA 0.902 5.374 4.470 0.004 0.000 0.307 838 S C 0.271 174.875 174.600 0.007 0.000 1.121 838 S CA -1.103 57.108 58.200 0.018 0.000 0.975 838 S CB 1.726 64.940 63.200 0.024 0.000 1.220 838 S HN 0.452 nan 8.310 nan 0.000 0.550 839 M N -0.387 119.198 119.600 -0.025 0.000 2.603 839 M HA 0.617 5.100 4.480 0.004 0.000 0.275 839 M C -2.116 174.109 176.300 -0.124 0.000 1.226 839 M CA -0.715 54.545 55.300 -0.065 0.000 0.870 839 M CB 1.190 33.744 32.600 -0.077 0.000 1.716 839 M HN 0.458 nan 8.290 nan 0.000 0.482 840 I N 2.031 122.498 120.570 -0.172 0.000 2.377 840 I HA 0.537 4.710 4.170 0.004 0.000 0.293 840 I C -0.810 175.147 176.117 -0.268 0.000 0.987 840 I CA -0.543 60.600 61.300 -0.262 0.000 1.185 840 I CB 2.044 39.830 38.000 -0.357 0.000 1.341 840 I HN 0.728 nan 8.210 nan 0.000 0.455 841 M N 5.660 125.108 119.600 -0.253 0.000 2.311 841 M HA 0.345 4.827 4.480 0.004 0.000 0.325 841 M C -0.377 175.842 176.300 -0.135 0.000 1.061 841 M CA -0.790 54.386 55.300 -0.207 0.000 0.957 841 M CB 1.419 33.887 32.600 -0.219 0.000 1.646 841 M HN 0.452 nan 8.290 nan 0.000 0.434 842 N N 3.174 121.808 118.700 -0.110 0.000 2.396 842 N HA -0.094 4.649 4.740 0.004 0.000 0.287 842 N C 0.501 175.986 175.510 -0.041 0.000 1.316 842 N CA 0.558 53.575 53.050 -0.054 0.000 0.972 842 N CB 0.669 39.119 38.487 -0.061 0.000 1.341 842 N HN 0.686 nan 8.380 nan 0.000 0.487 843 Q N 2.387 122.181 119.800 -0.009 0.000 2.291 843 Q HA -0.079 4.264 4.340 0.004 0.000 0.206 843 Q C 1.081 177.069 176.000 -0.020 0.000 0.976 843 Q CA 1.461 57.258 55.803 -0.010 0.000 0.875 843 Q CB 0.072 28.817 28.738 0.012 0.000 0.927 843 Q HN 0.648 nan 8.270 nan 0.000 0.450 844 S N 0.025 115.714 115.700 -0.020 0.000 2.344 844 S HA -0.177 4.295 4.470 0.004 0.000 0.217 844 S C 1.907 176.476 174.600 -0.052 0.000 1.033 844 S CA 1.366 59.547 58.200 -0.032 0.000 1.017 844 S CB -0.772 62.411 63.200 -0.028 0.000 0.941 844 S HN 0.701 nan 8.310 nan 0.000 0.430 845 S N 1.763 117.425 115.700 -0.063 0.000 2.493 845 S HA -0.006 4.466 4.470 0.004 0.000 0.243 845 S C 1.636 176.177 174.600 -0.099 0.000 0.991 845 S CA 0.727 58.873 58.200 -0.091 0.000 0.957 845 S CB -0.861 62.277 63.200 -0.104 0.000 0.756 845 S HN 0.472 nan 8.310 nan 0.000 0.521 846 I N 2.005 122.534 120.570 -0.070 0.000 2.233 846 I HA -0.116 4.057 4.170 0.004 0.000 0.243 846 I C 2.125 178.195 176.117 -0.079 0.000 1.093 846 I CA 1.219 62.486 61.300 -0.055 0.000 1.380 846 I CB -0.489 37.497 38.000 -0.024 0.000 1.067 846 I HN 0.177 nan 8.210 nan 0.000 0.413 847 D N 1.337 121.696 120.400 -0.067 0.000 2.106 847 D HA -0.181 4.461 4.640 0.004 0.000 0.191 847 D C 2.156 178.399 176.300 -0.095 0.000 0.997 847 D CA 1.238 55.197 54.000 -0.068 0.000 0.834 847 D CB -0.497 40.273 40.800 -0.050 0.000 0.956 847 D HN 0.262 nan 8.370 nan 0.000 0.448 848 R N -0.204 120.231 120.500 -0.108 0.000 2.303 848 R HA -0.023 4.319 4.340 0.004 0.000 0.225 848 R C 1.353 177.525 176.300 -0.213 0.000 1.114 848 R CA 0.978 56.994 56.100 -0.140 0.000 1.007 848 R CB -0.080 30.137 30.300 -0.138 0.000 0.861 848 R HN 0.370 nan 8.270 nan 0.000 0.471 849 G N 0.439 109.116 108.800 -0.206 0.000 2.205 849 G HA2 -0.215 3.747 3.960 0.004 0.000 0.180 849 G HA3 -0.215 3.747 3.960 0.004 0.000 0.180 849 G C -0.004 174.751 174.900 -0.241 0.000 1.004 849 G CA -0.338 44.600 45.100 -0.270 0.000 0.670 849 G HN 0.239 nan 8.290 nan 0.000 0.496 850 L N 1.249 122.345 121.223 -0.211 0.000 2.578 850 L HA 0.520 4.863 4.340 0.004 0.000 0.279 850 L C 1.119 177.954 176.870 -0.058 0.000 1.227 850 L CA 0.761 55.465 54.840 -0.226 0.000 0.900 850 L CB -0.345 41.574 42.059 -0.233 0.000 1.144 850 L HN 0.528 nan 8.230 nan 0.000 0.496 851 F N 3.136 123.094 119.950 0.014 0.000 3.027 851 F HA -0.299 4.230 4.527 0.004 0.000 0.276 851 F C 0.816 176.643 175.800 0.045 0.000 0.967 851 F CA 0.303 58.353 58.000 0.084 0.000 0.929 851 F CB -0.773 38.357 39.000 0.216 0.000 0.873 851 F HN 0.605 nan 8.300 nan 0.000 0.787 852 R N 0.266 120.852 120.500 0.143 0.000 2.643 852 R HA 0.786 5.129 4.340 0.004 0.000 0.272 852 R C 0.077 176.457 176.300 0.133 0.000 0.995 852 R CA -0.063 56.023 56.100 -0.024 0.000 1.032 852 R CB 2.102 32.127 30.300 -0.459 0.000 1.126 852 R HN 0.241 nan 8.270 nan 0.000 0.505 853 S N 0.727 116.521 115.700 0.157 0.000 2.596 853 S HA 0.504 4.977 4.470 0.004 0.000 0.270 853 S C -0.890 173.911 174.600 0.335 0.000 1.155 853 S CA -0.998 57.377 58.200 0.291 0.000 0.827 853 S CB 1.193 64.490 63.200 0.161 0.000 1.130 853 S HN 0.355 nan 8.310 nan 0.000 0.467 854 L N 1.180 122.549 121.223 0.243 0.000 2.358 854 L HA 0.746 5.089 4.340 0.004 0.000 0.268 854 L C -1.176 175.810 176.870 0.193 0.000 1.032 854 L CA -0.822 54.092 54.840 0.125 0.000 0.805 854 L CB 1.448 43.542 42.059 0.059 0.000 1.253 854 L HN 0.816 nan 8.230 nan 0.000 0.452 855 F N 2.186 122.032 119.950 -0.174 0.000 3.152 855 F HA 0.457 4.986 4.527 0.003 0.000 0.367 855 F C -1.603 174.119 175.800 -0.129 0.000 1.272 855 F CA -1.122 56.852 58.000 -0.044 0.000 1.172 855 F CB 0.610 39.598 39.000 -0.021 0.000 1.552 855 F HN 0.030 nan 8.300 nan 0.000 0.616 856 F N 4.632 124.283 119.950 -0.499 0.000 2.458 856 F HA 0.759 5.289 4.527 0.006 0.000 0.330 856 F C 0.049 175.510 175.800 -0.564 0.000 1.082 856 F CA -0.981 56.724 58.000 -0.492 0.000 0.995 856 F CB 1.741 40.627 39.000 -0.191 0.000 1.170 856 F HN 0.503 nan 8.300 nan 0.000 0.478 857 R N 0.781 121.133 120.500 -0.246 0.000 2.548 857 R HA 0.642 4.984 4.340 0.004 0.000 0.280 857 R C -1.842 174.390 176.300 -0.114 0.000 1.061 857 R CA -0.463 55.514 56.100 -0.206 0.000 0.915 857 R CB 1.680 31.798 30.300 -0.304 0.000 1.210 857 R HN 0.795 nan 8.270 nan 0.000 0.442 858 S N 3.004 118.624 115.700 -0.133 0.000 2.503 858 S HA 0.540 5.013 4.470 0.004 0.000 0.301 858 S C -1.143 173.343 174.600 -0.191 0.000 1.087 858 S CA -0.733 57.436 58.200 -0.051 0.000 1.042 858 S CB 1.050 64.252 63.200 0.005 0.000 1.043 858 S HN 0.446 nan 8.310 nan 0.000 0.489 859 Y N 1.414 121.690 120.300 -0.040 0.000 2.457 859 Y HA 0.687 5.241 4.550 0.006 0.000 0.333 859 Y C 0.204 176.058 175.900 -0.076 0.000 1.119 859 Y CA -1.049 57.025 58.100 -0.044 0.000 1.143 859 Y CB 1.543 39.976 38.460 -0.045 0.000 1.230 859 Y HN 0.602 nan 8.280 nan 0.000 0.469 860 M N 2.221 121.864 119.600 0.071 0.000 2.501 860 M HA 0.494 4.976 4.480 0.004 0.000 0.293 860 M C -2.299 173.980 176.300 -0.036 0.000 1.192 860 M CA -0.383 54.885 55.300 -0.053 0.000 0.886 860 M CB 2.508 35.041 32.600 -0.112 0.000 1.710 860 M HN 0.731 nan 8.290 nan 0.000 0.457 861 D N 1.744 122.078 120.400 -0.110 0.000 2.661 861 D HA 0.492 5.135 4.640 0.004 0.000 0.228 861 D C -1.552 174.841 176.300 0.155 0.000 1.210 861 D CA -0.063 53.976 54.000 0.064 0.000 0.826 861 D CB 2.643 43.571 40.800 0.213 0.000 1.542 861 D HN 0.721 nan 8.370 nan 0.000 0.447 862 Q N 0.282 120.234 119.800 0.253 0.000 2.892 862 Q HA 0.523 4.865 4.340 0.004 0.000 0.307 862 Q C -0.916 175.092 176.000 0.013 0.000 1.039 862 Q CA -0.898 55.059 55.803 0.257 0.000 0.792 862 Q CB 2.388 31.285 28.738 0.264 0.000 1.504 862 Q HN 0.241 nan 8.270 nan 0.000 0.487 863 E N 1.509 121.680 120.200 -0.048 0.000 2.218 863 E HA 0.295 4.647 4.350 0.004 0.000 0.263 863 E C -1.085 175.472 176.600 -0.072 0.000 0.879 863 E CA -0.469 55.827 56.400 -0.174 0.000 0.762 863 E CB 2.270 31.797 29.700 -0.287 0.000 1.166 863 E HN 0.653 nan 8.360 nan 0.000 0.415 864 K N 2.255 122.619 120.400 -0.060 0.000 1.443 864 K HA -0.250 4.072 4.320 0.004 0.000 0.676 864 K C -0.747 175.852 176.600 -0.001 0.000 1.943 864 K CA 0.727 57.001 56.287 -0.022 0.000 1.018 864 K CB -0.447 32.042 32.500 -0.019 0.000 1.829 864 K HN 0.478 nan 8.250 nan 0.000 0.539 865 K N -2.014 118.392 120.400 0.010 0.000 1.684 865 K HA 0.208 4.531 4.320 0.004 0.000 0.298 865 K C -0.837 175.786 176.600 0.038 0.000 0.860 865 K CA -0.226 56.065 56.287 0.006 0.000 0.413 865 K CB 0.369 32.887 32.500 0.030 0.000 3.134 865 K HN 0.477 nan 8.250 nan 0.000 1.114 866 Y N 1.118 121.429 120.300 0.018 0.000 2.600 866 Y HA 0.335 4.887 4.550 0.004 0.000 0.351 866 Y C 0.338 176.245 175.900 0.011 0.000 1.042 866 Y CA -0.331 57.778 58.100 0.015 0.000 1.333 866 Y CB 0.977 39.447 38.460 0.017 0.000 1.172 866 Y HN 0.451 nan 8.280 nan 0.000 0.517 867 G N 4.345 113.255 108.800 0.184 0.000 2.617 867 G HA2 0.546 4.509 3.960 0.004 0.000 0.306 867 G HA3 0.546 4.509 3.960 0.004 0.000 0.306 867 G C -0.943 174.014 174.900 0.094 0.000 1.360 867 G CA -0.885 44.278 45.100 0.105 0.000 0.983 867 G HN 0.469 nan 8.290 nan 0.000 0.496 868 M N 3.085 122.723 119.600 0.063 0.000 2.182 868 M HA 0.277 4.760 4.480 0.004 0.000 0.285 868 M C 0.360 176.679 176.300 0.031 0.000 0.956 868 M CA -0.468 54.859 55.300 0.046 0.000 0.878 868 M CB 1.045 33.663 32.600 0.029 0.000 1.373 868 M HN 1.065 nan 8.290 nan 0.000 0.393 869 S N 0.927 116.644 115.700 0.029 0.000 2.779 869 S HA -0.031 4.442 4.470 0.004 0.000 0.263 869 S C -0.441 174.169 174.600 0.016 0.000 1.446 869 S CA -0.362 57.849 58.200 0.019 0.000 0.837 869 S CB -2.072 61.137 63.200 0.014 0.000 1.112 869 S HN 0.670 nan 8.310 nan 0.000 0.772 870 I N 1.618 122.199 120.570 0.019 0.000 2.605 870 I HA 0.336 4.508 4.170 0.004 0.000 0.276 870 I C -0.796 175.324 176.117 0.005 0.000 1.161 870 I CA -0.118 61.190 61.300 0.013 0.000 1.064 870 I CB 1.838 39.851 38.000 0.021 0.000 1.238 870 I HN 0.290 nan 8.210 nan 0.000 0.487 871 T N 3.079 117.627 114.554 -0.009 0.000 2.991 871 T HA 0.318 4.671 4.350 0.004 0.000 0.347 871 T C -0.076 174.588 174.700 -0.060 0.000 1.122 871 T CA -0.682 61.401 62.100 -0.029 0.000 1.062 871 T CB 0.805 69.658 68.868 -0.024 0.000 1.043 871 T HN 0.360 nan 8.240 nan 0.000 0.491 872 E N 1.935 122.087 120.200 -0.080 0.000 2.598 872 E HA 0.106 4.458 4.350 0.004 0.000 0.273 872 E C -0.079 176.412 176.600 -0.181 0.000 1.029 872 E CA 0.708 57.035 56.400 -0.122 0.000 0.985 872 E CB 0.361 29.965 29.700 -0.160 0.000 0.988 872 E HN 0.464 nan 8.360 nan 0.000 0.460 873 T N 2.133 116.584 114.554 -0.171 0.000 2.971 873 T HA 0.311 4.664 4.350 0.004 0.000 0.304 873 T C -0.818 173.825 174.700 -0.094 0.000 1.038 873 T CA -0.653 61.356 62.100 -0.152 0.000 1.007 873 T CB 0.435 69.274 68.868 -0.048 0.000 1.055 873 T HN 0.243 nan 8.240 nan 0.000 0.451 874 F N 3.664 123.630 119.950 0.026 0.000 2.444 874 F HA 0.435 4.965 4.527 0.004 0.000 0.360 874 F C 1.214 177.025 175.800 0.019 0.000 1.106 874 F CA -0.228 57.787 58.000 0.025 0.000 1.170 874 F CB 0.582 39.598 39.000 0.026 0.000 1.113 874 F HN 0.657 nan 8.300 nan 0.000 0.521 875 E N 1.992 122.328 120.200 0.227 0.000 2.415 875 E HA 0.293 4.646 4.350 0.004 0.000 0.271 875 E C -1.750 174.903 176.600 0.089 0.000 1.094 875 E CA -1.345 55.126 56.400 0.118 0.000 0.881 875 E CB 1.600 31.340 29.700 0.066 0.000 1.581 875 E HN 0.338 nan 8.360 nan 0.000 0.460 876 K N 1.908 122.332 120.400 0.040 0.000 2.404 876 K HA 0.345 4.668 4.320 0.004 0.000 0.257 876 K C -2.186 174.371 176.600 -0.071 0.000 1.026 876 K CA -1.992 54.302 56.287 0.011 0.000 0.951 876 K CB 1.010 33.523 32.500 0.022 0.000 1.203 876 K HN 0.362 nan 8.250 nan 0.000 0.446 877 P HA -0.037 nan 4.420 nan 0.000 0.285 877 P C -1.335 175.812 177.300 -0.255 0.000 1.282 877 P CA 0.059 63.035 63.100 -0.208 0.000 0.778 877 P CB 0.275 31.824 31.700 -0.250 0.000 1.222 878 Q N -2.263 117.412 119.800 -0.208 0.000 3.702 878 Q HA 0.198 4.540 4.340 0.004 0.000 0.149 878 Q C -0.234 175.709 176.000 -0.095 0.000 0.888 878 Q CA -0.735 54.971 55.803 -0.162 0.000 1.279 878 Q CB -0.077 28.587 28.738 -0.124 0.000 1.372 878 Q HN 0.308 nan 8.270 nan 0.000 0.631 879 R N -1.160 119.287 120.500 -0.088 0.000 4.022 879 R HA -0.173 4.169 4.340 0.004 0.000 0.233 879 R C -0.113 176.162 176.300 -0.042 0.000 0.305 879 R CA 1.602 57.671 56.100 -0.052 0.000 0.879 879 R CB -2.824 27.454 30.300 -0.037 0.000 0.973 879 R HN 1.248 nan 8.270 nan 0.000 0.570 880 T N 2.410 116.944 114.554 -0.033 0.000 3.501 880 T HA -0.159 4.193 4.350 0.004 0.000 0.411 880 T C 0.469 175.158 174.700 -0.018 0.000 0.766 880 T CA 1.336 63.422 62.100 -0.024 0.000 2.129 880 T CB -1.077 67.775 68.868 -0.026 0.000 1.711 880 T HN 0.608 nan 8.240 nan 0.000 0.712 881 N N -1.729 116.962 118.700 -0.015 0.000 2.805 881 N HA -0.213 4.530 4.740 0.004 0.000 0.216 881 N C 1.386 176.890 175.510 -0.010 0.000 0.930 881 N CA 2.297 55.340 53.050 -0.011 0.000 1.376 881 N CB -1.724 36.758 38.487 -0.008 0.000 0.939 881 N HN 0.648 nan 8.380 nan 0.000 0.583 882 T N 1.287 115.834 114.554 -0.012 0.000 2.777 882 T HA 0.072 4.425 4.350 0.004 0.000 0.266 882 T C 0.872 175.565 174.700 -0.011 0.000 1.040 882 T CA 1.012 63.105 62.100 -0.010 0.000 1.141 882 T CB -0.369 68.493 68.868 -0.010 0.000 0.868 882 T HN 0.458 nan 8.240 nan 0.000 0.444 883 L N 0.976 122.189 121.223 -0.017 0.000 4.146 883 L HA -0.211 4.131 4.340 0.004 0.000 0.476 883 L C -0.066 176.796 176.870 -0.014 0.000 1.127 883 L CA 0.569 55.399 54.840 -0.017 0.000 0.669 883 L CB -1.784 40.266 42.059 -0.016 0.000 1.517 883 L HN 0.151 nan 8.230 nan 0.000 0.782 884 R N 1.758 122.253 120.500 -0.009 0.000 2.625 884 R HA 0.692 5.035 4.340 0.004 0.000 0.286 884 R C -0.496 175.813 176.300 0.014 0.000 1.406 884 R CA -0.408 55.688 56.100 -0.007 0.000 1.052 884 R CB 1.258 31.554 30.300 -0.005 0.000 1.203 884 R HN 0.349 nan 8.270 nan 0.000 0.502 885 M N 1.348 120.968 119.600 0.033 0.000 2.727 885 M HA 0.488 4.970 4.480 0.004 0.000 0.300 885 M C -0.544 175.842 176.300 0.143 0.000 1.246 885 M CA -1.303 54.066 55.300 0.115 0.000 0.835 885 M CB 2.126 34.768 32.600 0.071 0.000 1.755 885 M HN 0.006 nan 8.290 nan 0.000 0.473 886 K N 0.767 121.314 120.400 0.246 0.000 2.237 886 K HA 0.153 4.475 4.320 0.004 0.000 0.270 886 K C 1.090 177.755 176.600 0.109 0.000 1.015 886 K CA -0.032 56.318 56.287 0.105 0.000 0.949 886 K CB 0.243 32.759 32.500 0.027 0.000 0.976 886 K HN 0.464 nan 8.250 nan 0.000 0.472 887 H N 1.042 120.129 119.070 0.029 0.000 2.272 887 H HA -0.198 4.360 4.556 0.003 0.000 0.289 887 H C 1.111 176.439 175.328 -0.000 0.000 1.100 887 H CA 1.972 58.031 56.048 0.018 0.000 1.209 887 H CB -0.268 29.494 29.762 0.001 0.000 1.348 887 H HN 0.753 nan 8.280 nan 0.000 0.481 888 G N -0.147 108.705 108.800 0.086 0.000 2.590 888 G HA2 0.149 4.112 3.960 0.004 0.000 0.276 888 G HA3 0.149 4.112 3.960 0.004 0.000 0.276 888 G C -0.288 174.544 174.900 -0.113 0.000 1.337 888 G CA 0.275 45.351 45.100 -0.040 0.000 1.030 888 G HN 0.355 nan 8.290 nan 0.000 0.534 889 T N -1.627 112.845 114.554 -0.137 0.000 2.875 889 T HA 0.380 4.732 4.350 0.004 0.000 0.284 889 T C 0.133 174.702 174.700 -0.219 0.000 0.995 889 T CA -0.342 61.698 62.100 -0.099 0.000 1.060 889 T CB 1.581 70.436 68.868 -0.021 0.000 0.967 889 T HN 0.408 nan 8.240 nan 0.000 0.476 890 Y N 0.120 120.417 120.300 -0.004 0.000 2.479 890 Y HA 0.110 4.661 4.550 0.001 0.000 0.283 890 Y C 2.113 178.005 175.900 -0.013 0.000 1.109 890 Y CA -0.137 57.958 58.100 -0.009 0.000 1.239 890 Y CB 0.087 38.546 38.460 -0.002 0.000 1.108 890 Y HN 0.627 nan 8.280 nan 0.000 0.548 891 D N 0.839 121.329 120.400 0.150 0.000 2.421 891 D HA -0.169 4.474 4.640 0.004 0.000 0.223 891 D C 1.126 177.450 176.300 0.040 0.000 0.979 891 D CA 1.094 55.142 54.000 0.080 0.000 0.959 891 D CB -0.066 40.770 40.800 0.059 0.000 0.874 891 D HN 0.413 nan 8.370 nan 0.000 0.513 892 K N -0.291 120.124 120.400 0.024 0.000 2.374 892 K HA 0.140 4.462 4.320 0.004 0.000 0.196 892 K C 0.299 176.896 176.600 -0.004 0.000 1.023 892 K CA -0.075 56.209 56.287 -0.005 0.000 1.103 892 K CB 0.559 33.040 32.500 -0.033 0.000 0.848 892 K HN 0.002 nan 8.250 nan 0.000 0.528 893 L N 1.385 122.622 121.223 0.023 0.000 2.309 893 L HA 0.185 4.527 4.340 0.004 0.000 0.282 893 L C 0.294 177.179 176.870 0.024 0.000 1.036 893 L CA -0.579 54.274 54.840 0.021 0.000 0.806 893 L CB 1.227 43.325 42.059 0.065 0.000 1.220 893 L HN 0.020 nan 8.230 nan 0.000 0.429 894 D N 0.778 121.183 120.400 0.008 0.000 2.399 894 D HA 0.081 4.723 4.640 0.004 0.000 0.288 894 D C 0.296 176.606 176.300 0.017 0.000 1.197 894 D CA -0.210 53.796 54.000 0.011 0.000 1.081 894 D CB 0.381 41.182 40.800 0.003 0.000 1.139 894 D HN 0.511 nan 8.370 nan 0.000 0.554 895 D N -0.293 120.116 120.400 0.016 0.000 2.194 895 D HA -0.101 4.541 4.640 0.004 0.000 0.204 895 D C 1.240 177.561 176.300 0.034 0.000 0.964 895 D CA 0.738 54.752 54.000 0.024 0.000 0.846 895 D CB -0.156 40.657 40.800 0.020 0.000 0.962 895 D HN 0.321 nan 8.370 nan 0.000 0.490 896 D N 0.489 120.904 120.400 0.024 0.000 2.221 896 D HA -0.044 4.598 4.640 0.004 0.000 0.204 896 D C 1.603 177.924 176.300 0.036 0.000 0.982 896 D CA 1.251 55.272 54.000 0.035 0.000 0.857 896 D CB -0.615 40.187 40.800 0.004 0.000 0.934 896 D HN 0.304 nan 8.370 nan 0.000 0.475 897 G N -0.521 108.285 108.800 0.010 0.000 2.226 897 G HA2 -0.121 3.842 3.960 0.004 0.000 0.176 897 G HA3 -0.121 3.842 3.960 0.004 0.000 0.176 897 G C -0.429 174.431 174.900 -0.066 0.000 1.042 897 G CA -0.116 44.992 45.100 0.014 0.000 0.732 897 G HN 0.355 nan 8.290 nan 0.000 0.494 898 L N 0.584 121.762 121.223 -0.075 0.000 2.441 898 L HA 0.526 4.869 4.340 0.004 0.000 0.270 898 L C 0.977 177.804 176.870 -0.072 0.000 0.973 898 L CA -1.292 53.482 54.840 -0.110 0.000 0.842 898 L CB 1.505 43.475 42.059 -0.148 0.000 1.239 898 L HN 0.129 nan 8.230 nan 0.000 0.406 899 I N 1.862 122.387 120.570 -0.074 0.000 3.185 899 I HA -0.018 4.155 4.170 0.004 0.000 0.300 899 I C 1.079 177.166 176.117 -0.050 0.000 1.245 899 I CA 0.458 61.723 61.300 -0.059 0.000 1.413 899 I CB 0.181 38.137 38.000 -0.073 0.000 1.324 899 I HN 0.716 nan 8.210 nan 0.000 0.588 900 A N 5.505 128.303 122.820 -0.036 0.000 2.264 900 A HA 0.522 4.845 4.320 0.004 0.000 0.304 900 A C -1.807 175.760 177.584 -0.029 0.000 1.100 900 A CA -1.371 50.649 52.037 -0.028 0.000 0.839 900 A CB 0.325 19.313 19.000 -0.020 0.000 1.121 900 A HN 0.548 nan 8.150 nan 0.000 0.496 901 P HA -0.068 nan 4.420 nan 0.000 0.214 901 P C 1.516 178.805 177.300 -0.019 0.000 1.162 901 P CA 2.007 65.096 63.100 -0.018 0.000 0.879 901 P CB 0.118 31.812 31.700 -0.010 0.000 0.786 902 G N -0.707 108.083 108.800 -0.017 0.000 2.776 902 G HA2 -0.026 3.937 3.960 0.004 0.000 0.209 902 G HA3 -0.026 3.937 3.960 0.004 0.000 0.209 902 G C 0.263 175.151 174.900 -0.021 0.000 1.145 902 G CA 0.009 45.098 45.100 -0.017 0.000 0.791 902 G HN 0.154 nan 8.290 nan 0.000 0.530 903 V N 0.213 120.113 119.914 -0.025 0.000 2.572 903 V HA 0.207 4.330 4.120 0.004 0.000 0.291 903 V C 0.738 176.811 176.094 -0.035 0.000 1.039 903 V CA -0.648 61.635 62.300 -0.028 0.000 1.055 903 V CB 0.886 32.689 31.823 -0.032 0.000 0.969 903 V HN 0.272 nan 8.190 nan 0.000 0.482 904 R N 3.447 123.928 120.500 -0.031 0.000 2.234 904 R HA 0.555 4.897 4.340 0.004 0.000 0.324 904 R C -0.408 175.869 176.300 -0.039 0.000 1.054 904 R CA -0.330 55.750 56.100 -0.033 0.000 0.912 904 R CB 1.074 31.360 30.300 -0.023 0.000 1.030 904 R HN 0.806 nan 8.270 nan 0.000 0.455 905 V N 0.832 120.717 119.914 -0.048 0.000 3.166 905 V HA 0.913 5.035 4.120 0.004 0.000 0.317 905 V C -0.435 175.632 176.094 -0.044 0.000 1.136 905 V CA -0.422 61.843 62.300 -0.059 0.000 1.035 905 V CB 1.856 33.626 31.823 -0.089 0.000 1.110 905 V HN 0.996 nan 8.190 nan 0.000 0.450 906 S N -1.204 114.469 115.700 -0.046 0.000 2.707 906 S HA 0.678 5.151 4.470 0.004 0.000 0.268 906 S C 0.206 174.785 174.600 -0.033 0.000 1.004 906 S CA 0.235 58.419 58.200 -0.027 0.000 0.902 906 S CB 0.191 63.383 63.200 -0.014 0.000 1.157 906 S HN 2.972 nan 8.310 nan 0.000 0.468 907 G N 1.309 110.097 108.800 -0.020 0.000 2.552 907 G HA2 -0.218 3.744 3.960 0.004 0.000 0.265 907 G HA3 -0.218 3.744 3.960 0.004 0.000 0.265 907 G C 0.055 174.932 174.900 -0.038 0.000 1.234 907 G CA 0.459 45.543 45.100 -0.026 0.000 0.944 907 G HN 1.170 nan 8.290 nan 0.000 0.568 908 E N 1.249 121.419 120.200 -0.051 0.000 2.403 908 E HA 0.165 4.517 4.350 0.004 0.000 0.188 908 E C -0.363 176.173 176.600 -0.107 0.000 1.056 908 E CA -0.000 56.363 56.400 -0.062 0.000 0.892 908 E CB -0.029 29.640 29.700 -0.051 0.000 1.049 908 E HN 0.422 nan 8.360 nan 0.000 0.465 909 D N 1.429 121.760 120.400 -0.115 0.000 2.586 909 D HA -0.061 4.582 4.640 0.004 0.000 0.234 909 D C -0.139 176.032 176.300 -0.214 0.000 1.132 909 D CA 0.379 54.286 54.000 -0.155 0.000 0.860 909 D CB 0.748 41.477 40.800 -0.119 0.000 1.159 909 D HN -0.155 nan 8.370 nan 0.000 0.490 910 V N 4.220 123.954 119.914 -0.299 0.000 2.521 910 V HA 0.029 4.152 4.120 0.004 0.000 0.286 910 V C 1.619 177.591 176.094 -0.202 0.000 1.034 910 V CA 0.089 62.202 62.300 -0.312 0.000 1.045 910 V CB 0.874 32.373 31.823 -0.539 0.000 0.974 910 V HN 0.523 nan 8.190 nan 0.000 0.480 911 I N 4.299 124.746 120.570 -0.206 0.000 3.526 911 I HA 0.288 4.461 4.170 0.004 0.000 0.294 911 I C 0.293 176.321 176.117 -0.148 0.000 1.229 911 I CA 0.790 61.969 61.300 -0.201 0.000 1.408 911 I CB 0.582 38.383 38.000 -0.331 0.000 1.127 911 I HN 0.449 nan 8.210 nan 0.000 0.439 912 I N 0.688 121.188 120.570 -0.116 0.000 2.529 912 I HA 0.308 4.481 4.170 0.004 0.000 0.284 912 I C -0.049 176.091 176.117 0.039 0.000 1.088 912 I CA -0.458 60.794 61.300 -0.079 0.000 1.062 912 I CB 1.757 39.688 38.000 -0.116 0.000 1.218 912 I HN -0.100 nan 8.210 nan 0.000 0.442 913 G N 5.551 114.409 108.800 0.097 0.000 2.338 913 G HA2 0.616 4.578 3.960 0.004 0.000 0.298 913 G HA3 0.616 4.578 3.960 0.004 0.000 0.298 913 G C -0.890 174.169 174.900 0.264 0.000 1.140 913 G CA -0.294 44.928 45.100 0.204 0.000 0.860 913 G HN 0.636 nan 8.290 nan 0.000 0.470 914 K N 0.385 120.938 120.400 0.255 0.000 2.546 914 K HA 0.682 5.004 4.320 0.004 0.000 0.264 914 K C -1.153 175.518 176.600 0.119 0.000 0.937 914 K CA -0.734 55.707 56.287 0.257 0.000 0.833 914 K CB 2.162 34.852 32.500 0.317 0.000 1.378 914 K HN 0.605 nan 8.250 nan 0.000 0.432 915 T N -0.841 113.744 114.554 0.051 0.000 2.900 915 T HA 0.403 4.756 4.350 0.004 0.000 0.295 915 T C -0.888 173.811 174.700 -0.003 0.000 1.044 915 T CA -0.697 61.417 62.100 0.024 0.000 0.995 915 T CB 1.793 70.665 68.868 0.007 0.000 1.072 915 T HN 0.419 nan 8.240 nan 0.000 0.473 916 T N 4.317 118.873 114.554 0.002 0.000 2.815 916 T HA 0.549 4.902 4.350 0.004 0.000 0.289 916 T C -2.792 171.907 174.700 -0.003 0.000 1.000 916 T CA -1.690 60.407 62.100 -0.006 0.000 0.958 916 T CB 1.215 70.083 68.868 0.001 0.000 0.944 916 T HN 0.516 nan 8.240 nan 0.000 0.442 917 P HA 0.337 nan 4.420 nan 0.000 0.277 917 P C -1.015 176.285 177.300 0.000 0.000 1.354 917 P CA -0.507 62.591 63.100 -0.004 0.000 0.891 917 P CB 0.299 31.995 31.700 -0.006 0.000 1.058 918 I N 2.848 123.419 120.570 0.002 0.000 2.465 918 I HA 0.313 4.486 4.170 0.004 0.000 0.291 918 I C 0.981 177.100 176.117 0.003 0.000 1.014 918 I CA -0.841 60.462 61.300 0.004 0.000 1.093 918 I CB 1.651 39.655 38.000 0.006 0.000 1.267 918 I HN 0.306 nan 8.210 nan 0.000 0.431 934 K N 2.385 122.779 120.400 -0.010 0.000 2.278 934 K HA 0.322 4.644 4.320 0.004 0.000 0.237 934 K C -0.292 176.301 176.600 -0.012 0.000 1.229 934 K CA -0.121 56.158 56.287 -0.013 0.000 1.155 934 K CB 0.031 32.519 32.500 -0.021 0.000 1.590 934 K HN 0.227 nan 8.250 nan 0.000 0.290 935 R N 1.890 122.388 120.500 -0.003 0.000 2.401 935 R HA -0.008 4.335 4.340 0.004 0.000 0.299 935 R C 0.340 176.648 176.300 0.013 0.000 1.064 935 R CA -0.072 56.030 56.100 0.003 0.000 1.000 935 R CB 0.462 30.767 30.300 0.008 0.000 0.973 935 R HN 0.503 nan 8.270 nan 0.000 0.438 936 D N 1.594 122.006 120.400 0.021 0.000 2.361 936 D HA 0.143 4.785 4.640 0.004 0.000 0.239 936 D C -0.788 175.551 176.300 0.065 0.000 1.200 936 D CA 0.179 54.210 54.000 0.051 0.000 0.915 936 D CB 1.013 41.864 40.800 0.085 0.000 1.170 936 D HN 0.581 nan 8.370 nan 0.000 0.444 937 A N 1.409 124.284 122.820 0.092 0.000 3.134 937 A HA 0.320 4.643 4.320 0.004 0.000 0.237 937 A C -1.044 176.608 177.584 0.114 0.000 1.233 937 A CA -0.510 51.578 52.037 0.084 0.000 1.112 937 A CB -0.478 18.559 19.000 0.061 0.000 1.365 937 A HN 0.402 nan 8.150 nan 0.000 0.796 938 S N -0.219 115.560 115.700 0.131 0.000 2.557 938 S HA 0.709 5.181 4.470 0.004 0.000 0.291 938 S C -0.164 174.477 174.600 0.067 0.000 1.116 938 S CA -0.632 57.648 58.200 0.134 0.000 0.992 938 S CB 1.444 64.769 63.200 0.208 0.000 1.028 938 S HN 0.395 nan 8.310 nan 0.000 0.484 939 T N 5.779 120.359 114.554 0.044 0.000 2.834 939 T HA 0.399 4.752 4.350 0.004 0.000 0.298 939 T C -2.181 172.462 174.700 -0.095 0.000 0.966 939 T CA -0.405 61.696 62.100 0.001 0.000 1.141 939 T CB 0.282 69.171 68.868 0.034 0.000 0.905 939 T HN 0.529 nan 8.240 nan 0.000 0.535 940 P HA 0.379 nan 4.420 nan 0.000 0.287 940 P C -0.540 176.646 177.300 -0.190 0.000 1.290 940 P CA -0.912 62.090 63.100 -0.164 0.000 0.889 940 P CB 1.316 32.946 31.700 -0.117 0.000 1.190 941 L N 1.820 122.909 121.223 -0.223 0.000 2.417 941 L HA 0.177 4.520 4.340 0.004 0.000 0.268 941 L C 1.082 177.960 176.870 0.013 0.000 1.158 941 L CA -0.265 54.450 54.840 -0.208 0.000 0.819 941 L CB 0.297 42.245 42.059 -0.185 0.000 1.112 941 L HN 0.498 nan 8.230 nan 0.000 0.458 942 R N 1.708 122.317 120.500 0.182 0.000 2.457 942 R HA -0.144 4.199 4.340 0.004 0.000 0.274 942 R C 1.392 177.735 176.300 0.072 0.000 0.935 942 R CA 0.750 56.943 56.100 0.155 0.000 1.115 942 R CB 0.005 30.409 30.300 0.173 0.000 0.860 942 R HN 0.790 nan 8.270 nan 0.000 0.426 943 S N 0.672 116.400 115.700 0.047 0.000 2.584 943 S HA -0.096 4.376 4.470 0.004 0.000 0.240 943 S C 1.010 175.625 174.600 0.025 0.000 0.975 943 S CA 1.354 59.567 58.200 0.020 0.000 0.949 943 S CB 0.102 63.307 63.200 0.008 0.000 0.761 943 S HN 0.689 nan 8.310 nan 0.000 0.536 944 T N -0.581 114.000 114.554 0.046 0.000 2.966 944 T HA 0.286 4.639 4.350 0.004 0.000 0.254 944 T C 0.273 175.014 174.700 0.068 0.000 0.961 944 T CA -0.398 61.733 62.100 0.050 0.000 0.915 944 T CB 0.408 69.307 68.868 0.051 0.000 1.186 944 T HN 0.388 nan 8.240 nan 0.000 0.505 945 E N 2.612 122.869 120.200 0.094 0.000 2.314 945 E HA 0.416 4.769 4.350 0.004 0.000 0.262 945 E C -0.584 176.063 176.600 0.078 0.000 1.093 945 E CA -0.629 55.843 56.400 0.122 0.000 0.908 945 E CB 0.547 30.361 29.700 0.189 0.000 1.091 945 E HN 0.389 nan 8.360 nan 0.000 0.425 946 N N 0.815 119.559 118.700 0.074 0.000 2.431 946 N HA 0.466 5.209 4.740 0.004 0.000 0.275 946 N C -0.696 174.828 175.510 0.023 0.000 1.091 946 N CA -0.608 52.461 53.050 0.033 0.000 0.922 946 N CB 1.861 40.363 38.487 0.025 0.000 1.666 946 N HN 0.591 nan 8.380 nan 0.000 0.484 947 G N 0.563 109.357 108.800 -0.010 0.000 2.696 947 G HA2 0.586 4.548 3.960 0.004 0.000 0.151 947 G HA3 0.586 4.548 3.960 0.004 0.000 0.151 947 G C -1.710 173.160 174.900 -0.050 0.000 1.197 947 G CA -0.615 44.462 45.100 -0.037 0.000 1.053 947 G HN 0.544 nan 8.290 nan 0.000 0.546 948 I N 0.504 121.031 120.570 -0.073 0.000 2.692 948 I HA 0.397 4.570 4.170 0.004 0.000 0.293 948 I C -0.216 175.861 176.117 -0.067 0.000 1.200 948 I CA -1.076 60.185 61.300 -0.064 0.000 1.036 948 I CB 2.423 40.386 38.000 -0.062 0.000 1.258 948 I HN 0.295 nan 8.210 nan 0.000 0.421 949 V N 2.990 122.873 119.914 -0.052 0.000 2.740 949 V HA 0.028 4.150 4.120 0.004 0.000 0.303 949 V C 0.308 176.388 176.094 -0.023 0.000 1.054 949 V CA 0.383 62.660 62.300 -0.038 0.000 1.106 949 V CB 1.132 32.931 31.823 -0.040 0.000 0.957 949 V HN 0.929 nan 8.190 nan 0.000 0.486 950 D N 1.276 121.680 120.400 0.006 0.000 2.725 950 D HA 0.155 4.797 4.640 0.004 0.000 0.269 950 D C 0.584 176.913 176.300 0.048 0.000 1.018 950 D CA 0.323 54.347 54.000 0.040 0.000 0.956 950 D CB 0.682 41.555 40.800 0.121 0.000 1.141 950 D HN 0.693 nan 8.370 nan 0.000 0.478 951 Q N -0.020 119.810 119.800 0.051 0.000 2.391 951 Q HA 0.562 4.904 4.340 0.004 0.000 0.279 951 Q C -2.111 173.900 176.000 0.019 0.000 1.028 951 Q CA -0.783 55.040 55.803 0.034 0.000 0.836 951 Q CB 2.514 31.280 28.738 0.047 0.000 1.414 951 Q HN -0.054 nan 8.270 nan 0.000 0.397 952 V N 3.822 123.737 119.914 0.001 0.000 2.588 952 V HA 0.580 4.703 4.120 0.004 0.000 0.304 952 V C -0.859 175.227 176.094 -0.013 0.000 1.042 952 V CA -0.745 61.545 62.300 -0.017 0.000 0.877 952 V CB 1.750 33.548 31.823 -0.040 0.000 0.996 952 V HN 0.782 nan 8.190 nan 0.000 0.425 953 L N 5.510 126.723 121.223 -0.017 0.000 2.362 953 L HA 0.894 5.237 4.340 0.004 0.000 0.271 953 L C -1.361 175.510 176.870 0.001 0.000 1.002 953 L CA -0.496 54.347 54.840 0.006 0.000 0.818 953 L CB 2.166 44.245 42.059 0.033 0.000 1.298 953 L HN 0.447 nan 8.230 nan 0.000 0.420 954 V N 4.106 124.042 119.914 0.036 0.000 2.357 954 V HA 0.556 4.678 4.120 0.004 0.000 0.281 954 V C -0.103 176.066 176.094 0.125 0.000 1.015 954 V CA -0.140 62.198 62.300 0.062 0.000 0.827 954 V CB 0.832 32.675 31.823 0.033 0.000 1.018 954 V HN 1.037 nan 8.190 nan 0.000 0.432 955 T N 1.688 116.378 114.554 0.226 0.000 2.529 955 T HA 0.627 4.979 4.350 0.004 0.000 0.224 955 T C -0.429 174.423 174.700 0.254 0.000 0.791 955 T CA -0.394 61.834 62.100 0.213 0.000 1.241 955 T CB 2.076 71.055 68.868 0.185 0.000 1.554 955 T HN 0.564 nan 8.240 nan 0.000 0.491 956 T N 0.506 115.128 114.554 0.113 0.000 2.802 956 T HA 0.534 4.886 4.350 0.004 0.000 0.311 956 T C -1.913 172.640 174.700 -0.245 0.000 1.405 956 T CA -0.656 61.449 62.100 0.007 0.000 1.016 956 T CB 1.729 70.620 68.868 0.038 0.000 1.352 956 T HN 0.588 nan 8.240 nan 0.000 0.498 957 N N 0.866 119.407 118.700 -0.265 0.000 2.319 957 N HA 0.428 5.170 4.740 0.004 0.000 0.305 957 N C 1.091 176.519 175.510 -0.136 0.000 1.103 957 N CA -0.428 52.438 53.050 -0.307 0.000 0.815 957 N CB 1.516 39.762 38.487 -0.401 0.000 1.288 957 N HN 0.698 nan 8.380 nan 0.000 0.493 958 Q N 0.553 120.293 119.800 -0.101 0.000 2.440 958 Q HA -0.369 3.974 4.340 0.004 0.000 0.228 958 Q C -0.077 175.904 176.000 -0.032 0.000 1.100 958 Q CA 2.641 58.419 55.803 -0.042 0.000 0.991 958 Q CB -0.373 28.348 28.738 -0.027 0.000 1.027 958 Q HN 0.720 nan 8.270 nan 0.000 0.528 959 D N -0.769 119.606 120.400 -0.040 0.000 2.404 959 D HA -0.015 4.628 4.640 0.004 0.000 0.256 959 D C 0.879 177.170 176.300 -0.015 0.000 1.189 959 D CA 1.117 55.099 54.000 -0.030 0.000 0.965 959 D CB -0.601 40.170 40.800 -0.047 0.000 0.901 959 D HN 0.663 nan 8.370 nan 0.000 0.517 960 G N 0.630 109.425 108.800 -0.010 0.000 2.166 960 G HA2 -0.334 3.628 3.960 0.004 0.000 0.260 960 G HA3 -0.334 3.628 3.960 0.004 0.000 0.260 960 G C 0.491 175.404 174.900 0.021 0.000 0.986 960 G CA 0.004 45.109 45.100 0.008 0.000 0.683 960 G HN 0.400 nan 8.290 nan 0.000 0.527 961 L N 0.029 121.262 121.223 0.016 0.000 2.525 961 L HA 0.207 4.549 4.340 0.004 0.000 0.278 961 L C 1.205 178.158 176.870 0.138 0.000 1.218 961 L CA 0.214 55.087 54.840 0.056 0.000 0.878 961 L CB 0.441 42.528 42.059 0.047 0.000 1.127 961 L HN 0.103 nan 8.230 nan 0.000 0.492 962 K N 2.340 122.838 120.400 0.164 0.000 2.322 962 K HA 0.291 4.613 4.320 0.004 0.000 0.283 962 K C -0.999 175.897 176.600 0.493 0.000 1.042 962 K CA -0.143 56.318 56.287 0.290 0.000 0.958 962 K CB 0.490 33.160 32.500 0.284 0.000 0.984 962 K HN 0.231 nan 8.250 nan 0.000 0.473 963 F N 3.321 123.406 119.950 0.224 0.000 2.540 963 F HA 0.438 4.968 4.527 0.006 0.000 0.317 963 F C -0.982 174.885 175.800 0.113 0.000 1.104 963 F CA -0.758 57.350 58.000 0.180 0.000 0.913 963 F CB 1.579 40.645 39.000 0.110 0.000 1.170 963 F HN 0.106 nan 8.300 nan 0.000 0.450 964 V N 4.909 124.639 119.914 -0.308 0.000 2.686 964 V HA 0.466 4.589 4.120 0.004 0.000 0.306 964 V C -1.060 174.821 176.094 -0.356 0.000 1.065 964 V CA -1.128 60.995 62.300 -0.296 0.000 0.894 964 V CB 2.352 33.950 31.823 -0.376 0.000 1.004 964 V HN 0.598 nan 8.190 nan 0.000 0.424 965 K N 3.395 123.676 120.400 -0.199 0.000 2.604 965 K HA 0.595 4.917 4.320 0.004 0.000 0.247 965 K C -1.337 175.238 176.600 -0.041 0.000 0.956 965 K CA -0.500 55.714 56.287 -0.122 0.000 0.896 965 K CB 2.294 34.750 32.500 -0.074 0.000 1.131 965 K HN 0.491 nan 8.250 nan 0.000 0.440 966 V N 3.022 122.936 119.914 0.000 0.000 2.407 966 V HA 0.398 4.520 4.120 0.004 0.000 0.278 966 V C 0.214 176.381 176.094 0.121 0.000 1.037 966 V CA -0.820 61.500 62.300 0.033 0.000 0.900 966 V CB 1.197 33.011 31.823 -0.014 0.000 0.983 966 V HN 0.605 nan 8.190 nan 0.000 0.459 967 R N 3.117 123.669 120.500 0.086 0.000 2.407 967 R HA 0.771 5.114 4.340 0.004 0.000 0.303 967 R C -1.316 175.036 176.300 0.086 0.000 0.981 967 R CA -0.403 55.764 56.100 0.113 0.000 0.905 967 R CB 1.752 32.127 30.300 0.124 0.000 1.099 967 R HN 0.640 nan 8.270 nan 0.000 0.459 968 V N 3.670 123.621 119.914 0.062 0.000 2.735 968 V HA 0.583 4.706 4.120 0.004 0.000 0.310 968 V C -0.357 175.624 176.094 -0.187 0.000 1.061 968 V CA -1.039 61.242 62.300 -0.032 0.000 0.913 968 V CB 1.627 33.454 31.823 0.007 0.000 1.005 968 V HN 0.727 nan 8.190 nan 0.000 0.428 969 R N 1.699 122.039 120.500 -0.267 0.000 2.711 969 R HA 0.822 5.164 4.340 0.004 0.000 0.284 969 R C -1.275 174.818 176.300 -0.345 0.000 0.968 969 R CA -0.138 55.644 56.100 -0.531 0.000 0.924 969 R CB 2.316 32.226 30.300 -0.650 0.000 1.162 969 R HN 0.901 nan 8.270 nan 0.000 0.465 970 T N 1.212 115.560 114.554 -0.343 0.000 2.900 970 T HA 0.319 4.672 4.350 0.004 0.000 0.303 970 T C -1.073 173.603 174.700 -0.041 0.000 1.142 970 T CA -0.465 61.572 62.100 -0.105 0.000 1.007 970 T CB 1.968 70.870 68.868 0.056 0.000 1.156 970 T HN 0.458 nan 8.240 nan 0.000 0.490 971 T N 2.785 117.364 114.554 0.043 0.000 2.779 971 T HA 0.463 4.815 4.350 0.004 0.000 0.280 971 T C -0.526 174.237 174.700 0.104 0.000 0.987 971 T CA -0.696 61.478 62.100 0.123 0.000 0.966 971 T CB 0.683 69.659 68.868 0.181 0.000 0.933 971 T HN 0.313 nan 8.240 nan 0.000 0.442 972 K N 3.229 123.697 120.400 0.112 0.000 2.235 972 K HA 0.549 4.872 4.320 0.004 0.000 0.266 972 K C -0.870 175.752 176.600 0.036 0.000 0.980 972 K CA -0.743 55.585 56.287 0.069 0.000 0.849 972 K CB 1.691 34.222 32.500 0.052 0.000 1.098 972 K HN 0.378 nan 8.250 nan 0.000 0.445 973 I N 4.641 125.226 120.570 0.025 0.000 2.412 973 I HA 0.196 4.369 4.170 0.004 0.000 0.296 973 I C -2.051 174.100 176.117 0.057 0.000 0.987 973 I CA -2.524 58.789 61.300 0.021 0.000 1.180 973 I CB 1.398 39.396 38.000 -0.004 0.000 1.340 973 I HN 0.407 nan 8.210 nan 0.000 0.455 974 P HA -0.097 nan 4.420 nan 0.000 0.250 974 P C -0.681 176.681 177.300 0.103 0.000 1.161 974 P CA 0.476 63.684 63.100 0.180 0.000 0.863 974 P CB 0.400 32.251 31.700 0.251 0.000 0.827 975 Q N 2.817 122.674 119.800 0.094 0.000 2.547 975 Q HA 0.320 4.662 4.340 0.004 0.000 0.181 975 Q C 1.366 177.403 176.000 0.062 0.000 1.005 975 Q CA -0.949 54.889 55.803 0.059 0.000 1.005 975 Q CB 1.007 29.772 28.738 0.045 0.000 1.574 975 Q HN 0.188 nan 8.270 nan 0.000 0.499 976 I N -0.180 120.417 120.570 0.045 0.000 2.141 976 I HA -0.110 4.063 4.170 0.004 0.000 0.236 976 I C 1.800 177.952 176.117 0.058 0.000 1.071 976 I CA 1.398 62.722 61.300 0.041 0.000 1.345 976 I CB -0.533 37.487 38.000 0.033 0.000 1.066 976 I HN 0.856 nan 8.210 nan 0.000 0.406 977 G N 0.521 109.354 108.800 0.054 0.000 2.708 977 G HA2 -0.112 3.851 3.960 0.004 0.000 0.210 977 G HA3 -0.112 3.851 3.960 0.004 0.000 0.210 977 G C 0.219 175.164 174.900 0.075 0.000 1.141 977 G CA -0.009 45.124 45.100 0.055 0.000 0.788 977 G HN 0.305 nan 8.290 nan 0.000 0.531 978 D N 0.373 120.841 120.400 0.113 0.000 2.414 978 D HA 0.196 4.839 4.640 0.004 0.000 0.242 978 D C 0.453 176.877 176.300 0.205 0.000 1.129 978 D CA 0.267 54.338 54.000 0.118 0.000 0.885 978 D CB 1.340 42.212 40.800 0.119 0.000 1.198 978 D HN 0.115 nan 8.370 nan 0.000 0.437 979 K N 0.735 121.139 120.400 0.005 0.000 2.126 979 K HA 0.488 4.811 4.320 0.004 0.000 0.257 979 K C -0.857 175.617 176.600 -0.210 0.000 1.007 979 K CA -0.139 56.164 56.287 0.027 0.000 0.928 979 K CB 0.588 33.080 32.500 -0.013 0.000 1.013 979 K HN 0.261 nan 8.250 nan 0.000 0.473 980 F N 0.150 120.068 119.950 -0.054 0.000 3.630 980 F HA 0.528 5.057 4.527 0.004 0.000 0.329 980 F C -0.891 174.905 175.800 -0.007 0.000 1.149 980 F CA -0.090 57.864 58.000 -0.077 0.000 0.876 980 F CB 0.357 39.305 39.000 -0.087 0.000 1.619 980 F HN 0.668 nan 8.300 nan 0.000 0.515 981 A N 0.641 123.701 122.820 0.399 0.000 2.435 981 A HA 0.342 4.665 4.320 0.004 0.000 0.686 981 A C 0.474 177.941 177.584 -0.194 0.000 0.138 981 A CA -0.380 51.761 52.037 0.173 0.000 0.024 981 A CB -2.009 17.155 19.000 0.273 0.000 3.974 981 A HN 2.486 nan 8.150 nan 0.000 0.548 982 S N 1.111 116.253 115.700 -0.931 0.000 2.870 982 S HA -0.264 4.208 4.470 0.004 0.000 0.448 982 S C 0.777 175.253 174.600 -0.207 0.000 3.209 982 S CA 1.858 59.564 58.200 -0.822 0.000 3.423 982 S CB -0.136 62.763 63.200 -0.501 0.000 0.580 982 S HN 1.791 nan 8.310 nan 0.000 1.476 983 R N -0.686 119.839 120.500 0.042 0.000 2.531 983 R HA 0.189 4.532 4.340 0.004 0.000 0.316 983 R C -0.588 175.873 176.300 0.269 0.000 0.955 983 R CA 0.030 56.234 56.100 0.175 0.000 1.120 983 R CB 0.385 30.760 30.300 0.125 0.000 1.361 983 R HN 0.753 nan 8.270 nan 0.000 0.534 984 H N -1.177 117.893 119.070 0.000 0.000 2.439 984 H HA 0.319 4.877 4.556 0.004 0.000 0.230 984 H C 0.761 176.143 175.328 0.090 0.000 1.420 984 H CA -0.690 55.392 56.048 0.057 0.000 1.305 984 H CB 0.770 30.590 29.762 0.097 0.000 1.667 984 H HN 0.252 nan 8.280 nan 0.000 0.515 985 G N 0.961 109.882 108.800 0.202 0.000 2.200 985 G HA2 -0.345 3.618 3.960 0.004 0.000 0.268 985 G HA3 -0.345 3.618 3.960 0.004 0.000 0.268 985 G C 0.604 175.562 174.900 0.096 0.000 0.986 985 G CA 0.146 45.353 45.100 0.178 0.000 0.677 985 G HN 0.426 nan 8.290 nan 0.000 0.532 986 Q N 0.865 120.723 119.800 0.096 0.000 2.963 986 Q HA 0.199 4.541 4.340 0.004 0.000 0.262 986 Q C 0.895 176.928 176.000 0.054 0.000 1.318 986 Q CA -0.055 55.784 55.803 0.060 0.000 1.089 986 Q CB 0.056 28.833 28.738 0.066 0.000 1.424 986 Q HN 0.789 nan 8.270 nan 0.000 0.560 987 K N -0.202 120.212 120.400 0.022 0.000 2.379 987 K HA 0.516 4.838 4.320 0.004 0.000 0.284 987 K C 0.059 176.687 176.600 0.047 0.000 1.044 987 K CA -0.176 56.128 56.287 0.027 0.000 0.974 987 K CB 0.818 33.302 32.500 -0.026 0.000 0.962 987 K HN 0.285 nan 8.250 nan 0.000 0.474 988 G N 1.077 109.937 108.800 0.101 0.000 2.695 988 G HA2 0.476 4.438 3.960 0.004 0.000 0.290 988 G HA3 0.476 4.438 3.960 0.004 0.000 0.290 988 G C -1.260 173.717 174.900 0.128 0.000 1.410 988 G CA -0.677 44.480 45.100 0.095 0.000 0.844 988 G HN 0.716 nan 8.290 nan 0.000 0.478 989 T N -1.556 113.051 114.554 0.088 0.000 2.942 989 T HA 0.690 5.043 4.350 0.004 0.000 0.289 989 T C -0.137 174.598 174.700 0.058 0.000 1.044 989 T CA -0.679 61.488 62.100 0.112 0.000 1.023 989 T CB 1.310 70.220 68.868 0.070 0.000 1.123 989 T HN 0.393 nan 8.240 nan 0.000 0.512 990 I N 2.164 122.767 120.570 0.055 0.000 2.496 990 I HA 0.361 4.533 4.170 0.004 0.000 0.285 990 I C 1.481 177.602 176.117 0.007 0.000 1.080 990 I CA 0.177 61.460 61.300 -0.028 0.000 1.404 990 I CB 1.185 39.168 38.000 -0.029 0.000 1.403 990 I HN 1.019 nan 8.210 nan 0.000 0.539 991 G N 6.557 115.355 108.800 -0.003 0.000 2.833 991 G HA2 0.295 4.257 3.960 0.004 0.000 0.210 991 G HA3 0.295 4.257 3.960 0.004 0.000 0.210 991 G C 0.035 174.963 174.900 0.046 0.000 1.139 991 G CA 0.323 45.462 45.100 0.064 0.000 0.771 991 G HN 0.430 nan 8.290 nan 0.000 0.535 992 I N -0.731 119.803 120.570 -0.061 0.000 2.600 992 I HA 0.383 4.556 4.170 0.004 0.000 0.309 992 I C -1.178 174.837 176.117 -0.171 0.000 1.966 992 I CA -0.494 60.732 61.300 -0.123 0.000 0.925 992 I CB 1.768 39.616 38.000 -0.253 0.000 1.481 992 I HN 0.058 nan 8.210 nan 0.000 0.652 993 T N 1.445 115.954 114.554 -0.075 0.000 2.887 993 T HA 0.752 5.105 4.350 0.004 0.000 0.288 993 T C -1.314 173.532 174.700 0.243 0.000 1.021 993 T CA -0.364 61.723 62.100 -0.021 0.000 1.000 993 T CB 1.148 70.022 68.868 0.010 0.000 1.034 993 T HN 0.415 nan 8.240 nan 0.000 0.467 994 Y N 0.606 120.867 120.300 -0.066 0.000 2.462 994 Y HA 0.519 5.071 4.550 0.004 0.000 0.346 994 Y C 0.820 176.696 175.900 -0.041 0.000 0.976 994 Y CA -1.611 56.462 58.100 -0.046 0.000 1.044 994 Y CB 2.467 40.902 38.460 -0.042 0.000 1.230 994 Y HN 0.534 nan 8.280 nan 0.000 0.455 995 R N 1.425 121.985 120.500 0.100 0.000 2.539 995 R HA 0.122 4.465 4.340 0.004 0.000 0.275 995 R C 1.417 177.740 176.300 0.038 0.000 1.077 995 R CA -0.051 56.073 56.100 0.040 0.000 1.097 995 R CB 0.756 31.060 30.300 0.006 0.000 1.018 995 R HN 0.747 nan 8.270 nan 0.000 0.483 996 R N 1.885 122.394 120.500 0.014 0.000 2.190 996 R HA -0.330 4.012 4.340 0.004 0.000 0.255 996 R C 1.008 177.314 176.300 0.011 0.000 1.143 996 R CA 2.707 58.811 56.100 0.006 0.000 0.965 996 R CB -0.066 30.222 30.300 -0.020 0.000 0.889 996 R HN 0.727 nan 8.270 nan 0.000 0.448 997 E N 0.761 120.959 120.200 -0.002 0.000 2.005 997 E HA -0.200 4.153 4.350 0.004 0.000 0.198 997 E C 1.796 178.428 176.600 0.053 0.000 1.010 997 E CA 1.782 58.183 56.400 0.002 0.000 0.825 997 E CB -0.527 29.170 29.700 -0.004 0.000 0.769 997 E HN 0.448 nan 8.360 nan 0.000 0.456 998 D N 0.435 120.854 120.400 0.031 0.000 2.172 998 D HA -0.180 4.462 4.640 0.004 0.000 0.196 998 D C 0.865 177.194 176.300 0.048 0.000 0.999 998 D CA 0.811 54.798 54.000 -0.022 0.000 0.856 998 D CB -0.341 40.366 40.800 -0.154 0.000 0.934 998 D HN 0.152 nan 8.370 nan 0.000 0.453 999 M N 1.804 121.463 119.600 0.098 0.000 2.247 999 M HA 0.022 4.504 4.480 0.004 0.000 0.318 999 M C -2.180 174.171 176.300 0.085 0.000 1.054 999 M CA -0.621 54.689 55.300 0.017 0.000 1.117 999 M CB 0.488 33.098 32.600 0.016 0.000 1.515 999 M HN -0.166 nan 8.290 nan 0.000 0.442 1000 P HA 0.260 nan 4.420 nan 0.000 0.274 1000 P C -1.509 175.868 177.300 0.129 0.000 1.237 1000 P CA -0.155 63.009 63.100 0.106 0.000 0.793 1000 P CB 0.389 32.128 31.700 0.065 0.000 0.977 1001 F N -2.519 117.459 119.950 0.046 0.000 2.613 1001 F HA 0.617 5.147 4.527 0.004 0.000 0.310 1001 F C -0.179 175.618 175.800 -0.005 0.000 1.085 1001 F CA -1.209 56.784 58.000 -0.012 0.000 0.945 1001 F CB 0.916 39.917 39.000 0.001 0.000 1.298 1001 F HN 0.216 nan 8.300 nan 0.000 0.455 1002 T N 0.639 115.238 114.554 0.076 0.000 2.868 1002 T HA 0.492 4.845 4.350 0.004 0.000 0.292 1002 T C 1.150 175.995 174.700 0.243 0.000 1.028 1002 T CA 0.183 62.284 62.100 0.002 0.000 1.059 1002 T CB 1.155 69.950 68.868 -0.122 0.000 0.991 1002 T HN 0.986 nan 8.240 nan 0.000 0.531 1003 A N 2.246 125.181 122.820 0.191 0.000 2.119 1003 A HA 0.076 4.399 4.320 0.004 0.000 0.217 1003 A C 1.953 179.576 177.584 0.065 0.000 1.153 1003 A CA 1.145 53.262 52.037 0.133 0.000 0.692 1003 A CB -0.504 18.588 19.000 0.152 0.000 0.799 1003 A HN 0.959 nan 8.150 nan 0.000 0.458 1004 E N -1.538 118.698 120.200 0.060 0.000 2.427 1004 E HA 0.178 4.531 4.350 0.004 0.000 0.196 1004 E C 1.324 177.944 176.600 0.033 0.000 1.028 1004 E CA 0.434 56.853 56.400 0.033 0.000 0.864 1004 E CB -0.062 29.666 29.700 0.047 0.000 0.813 1004 E HN 0.724 nan 8.360 nan 0.000 0.514 1005 G N 0.507 109.342 108.800 0.058 0.000 2.218 1005 G HA2 -0.209 3.753 3.960 0.004 0.000 0.216 1005 G HA3 -0.209 3.753 3.960 0.004 0.000 0.216 1005 G C 0.380 175.305 174.900 0.042 0.000 0.994 1005 G CA -0.318 44.783 45.100 0.001 0.000 0.637 1005 G HN 0.126 nan 8.290 nan 0.000 0.505 1006 I N 0.930 121.564 120.570 0.106 0.000 3.045 1006 I HA 0.397 4.570 4.170 0.004 0.000 0.288 1006 I C 0.857 177.092 176.117 0.197 0.000 1.238 1006 I CA 0.461 61.856 61.300 0.159 0.000 1.396 1006 I CB 1.194 39.353 38.000 0.265 0.000 1.355 1006 I HN 0.032 nan 8.210 nan 0.000 0.601 1007 V N 5.950 126.001 119.914 0.229 0.000 3.159 1007 V HA 0.507 4.629 4.120 0.004 0.000 0.308 1007 V C -2.351 173.925 176.094 0.303 0.000 1.190 1007 V CA -1.398 61.049 62.300 0.244 0.000 1.037 1007 V CB 2.987 34.885 31.823 0.124 0.000 1.060 1007 V HN 0.655 nan 8.190 nan 0.000 0.437 1008 P HA 0.387 nan 4.420 nan 0.000 0.282 1008 P C -0.682 176.592 177.300 -0.043 0.000 1.259 1008 P CA -0.155 62.995 63.100 0.083 0.000 0.826 1008 P CB 1.456 33.230 31.700 0.124 0.000 1.064 1009 D N -0.040 120.282 120.400 -0.131 0.000 2.262 1009 D HA 0.091 4.734 4.640 0.004 0.000 0.212 1009 D C 0.300 176.493 176.300 -0.179 0.000 0.964 1009 D CA 1.146 55.057 54.000 -0.147 0.000 0.875 1009 D CB 0.267 40.956 40.800 -0.184 0.000 0.996 1009 D HN 0.155 nan 8.370 nan 0.000 0.497 1010 L N 0.479 121.566 121.223 -0.226 0.000 2.455 1010 L HA 0.433 4.776 4.340 0.004 0.000 0.264 1010 L C -1.837 174.896 176.870 -0.230 0.000 0.968 1010 L CA -0.715 53.962 54.840 -0.271 0.000 0.827 1010 L CB 2.207 44.024 42.059 -0.404 0.000 1.317 1010 L HN -0.285 nan 8.230 nan 0.000 0.407 1011 I N 5.573 126.026 120.570 -0.195 0.000 2.418 1011 I HA 0.502 4.675 4.170 0.004 0.000 0.287 1011 I C -0.309 175.760 176.117 -0.080 0.000 1.008 1011 I CA -0.277 60.950 61.300 -0.121 0.000 1.104 1011 I CB 1.558 39.481 38.000 -0.128 0.000 1.264 1011 I HN 0.550 nan 8.210 nan 0.000 0.438 1012 I N 3.016 123.572 120.570 -0.024 0.000 2.577 1012 I HA 0.568 4.741 4.170 0.004 0.000 0.305 1012 I C 0.152 176.291 176.117 0.037 0.000 0.986 1012 I CA -0.427 60.882 61.300 0.014 0.000 1.189 1012 I CB 0.786 38.821 38.000 0.059 0.000 1.355 1012 I HN 0.425 nan 8.210 nan 0.000 0.476 1013 N N 4.701 123.427 118.700 0.044 0.000 2.518 1013 N HA 0.216 4.959 4.740 0.004 0.000 0.266 1013 N C -1.797 173.748 175.510 0.058 0.000 1.196 1013 N CA -1.598 51.498 53.050 0.077 0.000 0.947 1013 N CB 1.146 39.685 38.487 0.087 0.000 1.098 1013 N HN 0.539 nan 8.380 nan 0.000 0.450 1014 P HA 0.009 nan 4.420 nan 0.000 0.249 1014 P C 0.449 177.678 177.300 -0.119 0.000 1.229 1014 P CA 0.738 63.817 63.100 -0.035 0.000 0.788 1014 P CB 0.096 31.778 31.700 -0.030 0.000 1.072 1015 H N 0.186 119.243 119.070 -0.021 0.000 2.556 1015 H HA 0.250 4.808 4.556 0.004 0.000 0.268 1015 H C 0.687 175.995 175.328 -0.033 0.000 0.996 1015 H CA 0.453 56.487 56.048 -0.023 0.000 1.157 1015 H CB 0.321 30.075 29.762 -0.014 0.000 1.355 1015 H HN 0.128 nan 8.280 nan 0.000 0.597 1016 A N 0.894 123.718 122.820 0.008 0.000 3.154 1016 A HA 0.292 4.614 4.320 0.004 0.000 0.310 1016 A C 0.706 178.238 177.584 -0.086 0.000 1.093 1016 A CA -0.156 51.867 52.037 -0.023 0.000 1.006 1016 A CB -0.125 18.867 19.000 -0.013 0.000 1.084 1016 A HN 0.140 nan 8.150 nan 0.000 0.549 1017 I N -1.431 119.076 120.570 -0.104 0.000 4.866 1017 I HA 0.101 4.274 4.170 0.004 0.000 0.325 1017 I C -1.242 174.815 176.117 -0.101 0.000 1.240 1017 I CA 0.093 61.310 61.300 -0.137 0.000 1.355 1017 I CB -1.323 36.565 38.000 -0.188 0.000 1.395 1017 I HN 0.091 nan 8.210 nan 0.000 0.479 1018 P HA -0.062 nan 4.420 nan 0.000 0.214 1018 P C 1.882 179.161 177.300 -0.035 0.000 1.162 1018 P CA 1.696 64.756 63.100 -0.066 0.000 0.871 1018 P CB 0.132 31.787 31.700 -0.075 0.000 0.783 1019 S N -0.214 115.472 115.700 -0.024 0.000 2.515 1019 S HA -0.064 4.408 4.470 0.004 0.000 0.231 1019 S C 1.398 176.004 174.600 0.010 0.000 0.987 1019 S CA 0.406 58.604 58.200 -0.003 0.000 0.936 1019 S CB -0.609 62.594 63.200 0.005 0.000 0.766 1019 S HN 0.111 nan 8.310 nan 0.000 0.528 1020 R N 0.980 121.485 120.500 0.008 0.000 2.509 1020 R HA 0.340 4.683 4.340 0.004 0.000 0.300 1020 R C 0.428 176.748 176.300 0.034 0.000 0.985 1020 R CA 0.110 56.231 56.100 0.035 0.000 1.092 1020 R CB -0.648 29.680 30.300 0.048 0.000 1.237 1020 R HN 0.460 nan 8.270 nan 0.000 0.546 1021 M N 0.708 120.314 119.600 0.010 0.000 2.110 1021 M HA -0.188 4.295 4.480 0.004 0.000 0.195 1021 M C 0.183 176.502 176.300 0.032 0.000 0.256 1021 M CA 1.253 56.559 55.300 0.009 0.000 0.366 1021 M CB -2.352 30.258 32.600 0.017 0.000 1.027 1021 M HN 0.012 nan 8.290 nan 0.000 0.948 1022 T N 0.570 115.140 114.554 0.027 0.000 4.099 1022 T HA 0.364 4.717 4.350 0.004 0.000 0.223 1022 T C 1.374 176.113 174.700 0.066 0.000 0.968 1022 T CA -0.067 62.077 62.100 0.074 0.000 0.966 1022 T CB -0.332 68.577 68.868 0.067 0.000 1.328 1022 T HN 0.379 nan 8.240 nan 0.000 0.783 1023 V N 2.343 122.299 119.914 0.070 0.000 2.380 1023 V HA -0.230 3.893 4.120 0.004 0.000 0.251 1023 V C 2.883 179.040 176.094 0.105 0.000 1.063 1023 V CA 2.078 64.411 62.300 0.054 0.000 1.055 1023 V CB -1.283 30.577 31.823 0.062 0.000 0.657 1023 V HN 0.826 nan 8.190 nan 0.000 0.455 1024 A N -0.411 122.543 122.820 0.224 0.000 1.869 1024 A HA -0.374 3.949 4.320 0.004 0.000 0.218 1024 A C 2.181 179.959 177.584 0.324 0.000 1.203 1024 A CA 2.404 54.646 52.037 0.342 0.000 0.638 1024 A CB -1.082 18.238 19.000 0.534 0.000 0.831 1024 A HN 0.698 nan 8.150 nan 0.000 0.450 1025 H N 0.311 119.318 119.070 -0.104 0.000 2.275 1025 H HA -0.232 4.327 4.556 0.004 0.000 0.287 1025 H C 1.989 177.273 175.328 -0.073 0.000 1.097 1025 H CA 2.532 58.288 56.048 -0.487 0.000 1.169 1025 H CB -0.727 28.728 29.762 -0.511 0.000 1.349 1025 H HN 0.408 nan 8.280 nan 0.000 0.501 1026 L N 0.118 121.436 121.223 0.159 0.000 2.010 1026 L HA -0.280 4.062 4.340 0.004 0.000 0.219 1026 L C 3.027 180.004 176.870 0.179 0.000 1.077 1026 L CA 2.033 56.913 54.840 0.066 0.000 0.773 1026 L CB -0.764 41.201 42.059 -0.157 0.000 0.892 1026 L HN 0.319 nan 8.230 nan 0.000 0.436 1027 I N -0.112 120.540 120.570 0.138 0.000 2.076 1027 I HA -0.343 3.830 4.170 0.004 0.000 0.237 1027 I C 2.590 178.863 176.117 0.260 0.000 1.059 1027 I CA 1.821 63.220 61.300 0.165 0.000 1.317 1027 I CB -0.748 37.276 38.000 0.041 0.000 1.037 1027 I HN 0.334 nan 8.210 nan 0.000 0.398 1028 E N 0.842 121.218 120.200 0.293 0.000 2.136 1028 E HA -0.365 3.987 4.350 0.004 0.000 0.208 1028 E C 2.271 178.922 176.600 0.085 0.000 1.035 1028 E CA 2.530 59.009 56.400 0.132 0.000 0.838 1028 E CB -0.408 29.358 29.700 0.110 0.000 0.748 1028 E HN 0.591 nan 8.360 nan 0.000 0.459 1029 C N -0.447 118.933 119.300 0.134 0.000 2.455 1029 C HA -0.138 4.325 4.460 0.004 0.000 0.281 1029 C C 2.665 177.685 174.990 0.049 0.000 1.237 1029 C CA 1.108 60.192 59.018 0.110 0.000 1.726 1029 C CB -1.311 26.612 27.740 0.305 0.000 2.068 1029 C HN 0.681 nan 8.230 nan 0.000 0.466 1030 L N 0.430 121.737 121.223 0.141 0.000 2.021 1030 L HA -0.170 4.172 4.340 0.004 0.000 0.215 1030 L C 2.307 179.185 176.870 0.014 0.000 1.074 1030 L CA 2.028 56.906 54.840 0.062 0.000 0.760 1030 L CB -0.892 41.251 42.059 0.141 0.000 0.889 1030 L HN 0.428 nan 8.230 nan 0.000 0.433 1031 L N -1.109 120.150 121.223 0.060 0.000 1.943 1031 L HA -0.247 4.096 4.340 0.004 0.000 0.215 1031 L C 2.602 179.448 176.870 -0.041 0.000 1.074 1031 L CA 2.255 57.109 54.840 0.023 0.000 0.759 1031 L CB -1.234 40.854 42.059 0.048 0.000 0.888 1031 L HN 0.289 nan 8.230 nan 0.000 0.433 1032 S N -0.439 115.234 115.700 -0.045 0.000 2.400 1032 S HA -0.331 4.142 4.470 0.004 0.000 0.234 1032 S C 1.904 176.452 174.600 -0.086 0.000 1.049 1032 S CA 1.961 60.124 58.200 -0.062 0.000 1.039 1032 S CB -0.467 62.710 63.200 -0.037 0.000 0.856 1032 S HN 0.530 nan 8.310 nan 0.000 0.465 1033 K N 1.015 121.347 120.400 -0.114 0.000 1.973 1033 K HA -0.069 4.254 4.320 0.004 0.000 0.210 1033 K C 2.016 178.515 176.600 -0.169 0.000 1.045 1033 K CA 1.506 57.693 56.287 -0.166 0.000 0.937 1033 K CB -0.621 31.747 32.500 -0.221 0.000 0.721 1033 K HN 0.146 nan 8.250 nan 0.000 0.438 1034 V N 1.769 121.584 119.914 -0.164 0.000 2.236 1034 V HA -0.386 3.736 4.120 0.004 0.000 0.255 1034 V C 2.574 178.579 176.094 -0.148 0.000 1.068 1034 V CA 2.399 64.589 62.300 -0.183 0.000 1.044 1034 V CB -0.925 30.803 31.823 -0.158 0.000 0.653 1034 V HN 0.645 nan 8.190 nan 0.000 0.448 1035 A N -0.589 122.167 122.820 -0.107 0.000 1.841 1035 A HA -0.212 4.111 4.320 0.004 0.000 0.216 1035 A C 2.461 180.014 177.584 -0.051 0.000 1.199 1035 A CA 2.873 54.865 52.037 -0.076 0.000 0.621 1035 A CB -1.280 17.677 19.000 -0.073 0.000 0.835 1035 A HN 0.784 nan 8.150 nan 0.000 0.445 1036 A N -0.580 122.205 122.820 -0.058 0.000 1.915 1036 A HA -0.209 4.114 4.320 0.004 0.000 0.220 1036 A C 2.236 179.810 177.584 -0.017 0.000 1.198 1036 A CA 1.965 53.977 52.037 -0.040 0.000 0.647 1036 A CB -0.840 18.126 19.000 -0.056 0.000 0.825 1036 A HN 0.515 nan 8.150 nan 0.000 0.456 1037 L N -0.092 121.117 121.223 -0.023 0.000 1.932 1037 L HA -0.232 4.110 4.340 0.004 0.000 0.217 1037 L C 3.089 180.043 176.870 0.139 0.000 1.077 1037 L CA 2.185 57.060 54.840 0.058 0.000 0.765 1037 L CB -0.495 41.618 42.059 0.091 0.000 0.888 1037 L HN 0.621 nan 8.230 nan 0.000 0.433 1038 S N -0.115 115.692 115.700 0.178 0.000 2.469 1038 S HA -0.030 4.442 4.470 0.004 0.000 0.238 1038 S C 1.325 175.977 174.600 0.086 0.000 0.998 1038 S CA 0.467 58.800 58.200 0.222 0.000 0.957 1038 S CB -0.693 62.545 63.200 0.064 0.000 0.764 1038 S HN 0.691 nan 8.310 nan 0.000 0.514 1039 G N 1.456 110.278 108.800 0.037 0.000 2.353 1039 G HA2 -0.182 3.781 3.960 0.004 0.000 0.294 1039 G HA3 -0.182 3.781 3.960 0.004 0.000 0.294 1039 G C -0.462 174.437 174.900 -0.001 0.000 1.077 1039 G CA 0.039 45.146 45.100 0.012 0.000 1.098 1039 G HN 0.574 nan 8.290 nan 0.000 0.511 1040 N N -0.558 118.130 118.700 -0.019 0.000 2.416 1040 N HA 0.398 5.140 4.740 0.004 0.000 0.276 1040 N C -0.361 175.120 175.510 -0.049 0.000 1.261 1040 N CA -0.815 52.218 53.050 -0.030 0.000 0.790 1040 N CB 1.703 40.173 38.487 -0.028 0.000 1.554 1040 N HN 0.491 nan 8.380 nan 0.000 0.481 1041 E N -0.120 120.045 120.200 -0.058 0.000 2.376 1041 E HA 0.283 4.636 4.350 0.004 0.000 0.266 1041 E C 0.225 176.768 176.600 -0.096 0.000 1.009 1041 E CA -0.292 56.059 56.400 -0.082 0.000 0.902 1041 E CB 0.367 30.011 29.700 -0.094 0.000 0.972 1041 E HN 0.599 nan 8.360 nan 0.000 0.439 1042 G N 4.343 113.074 108.800 -0.116 0.000 2.519 1042 G HA2 0.025 3.987 3.960 0.004 0.000 0.306 1042 G HA3 0.025 3.987 3.960 0.004 0.000 0.306 1042 G C -0.573 174.214 174.900 -0.188 0.000 0.965 1042 G CA -0.459 44.560 45.100 -0.136 0.000 1.291 1042 G HN 0.596 nan 8.290 nan 0.000 0.450 1043 D N 2.175 122.484 120.400 -0.152 0.000 2.374 1043 D HA 0.392 5.034 4.640 0.004 0.000 0.240 1043 D C 0.733 176.897 176.300 -0.226 0.000 1.229 1043 D CA -0.397 53.499 54.000 -0.174 0.000 0.895 1043 D CB 0.950 41.689 40.800 -0.101 0.000 1.046 1043 D HN 0.286 nan 8.370 nan 0.000 0.498 1044 A N 3.254 125.802 122.820 -0.453 0.000 2.827 1044 A HA 0.302 4.625 4.320 0.004 0.000 0.300 1044 A C 0.521 177.881 177.584 -0.373 0.000 1.237 1044 A CA -0.573 50.885 52.037 -0.965 0.000 0.964 1044 A CB -0.060 17.921 19.000 -1.699 0.000 1.143 1044 A HN 0.402 nan 8.150 nan 0.000 0.554 1045 S N 1.853 117.481 115.700 -0.119 0.000 2.572 1045 S HA 0.213 4.685 4.470 0.004 0.000 0.279 1045 S C -1.467 173.193 174.600 0.100 0.000 1.341 1045 S CA -0.654 57.523 58.200 -0.038 0.000 1.043 1045 S CB 0.815 63.989 63.200 -0.044 0.000 0.887 1045 S HN 0.337 nan 8.310 nan 0.000 0.516 1046 P HA -0.102 nan 4.420 nan 0.000 0.203 1046 P C -0.021 177.119 177.300 -0.266 0.000 0.967 1046 P CA 0.983 63.934 63.100 -0.249 0.000 0.946 1046 P CB -0.047 31.247 31.700 -0.677 0.000 0.690 1047 F N 0.501 120.581 119.950 0.218 0.000 2.552 1047 F HA 0.143 4.672 4.527 0.004 0.000 0.342 1047 F C 0.876 176.804 175.800 0.214 0.000 1.257 1047 F CA 0.077 58.175 58.000 0.162 0.000 1.058 1047 F CB -1.290 37.754 39.000 0.072 0.000 1.288 1047 F HN -0.003 nan 8.300 nan 0.000 0.627 1048 T N -1.831 112.874 114.554 0.253 0.000 2.816 1048 T HA 0.208 4.561 4.350 0.004 0.000 0.299 1048 T C -0.162 174.635 174.700 0.162 0.000 1.230 1048 T CA -1.005 61.228 62.100 0.222 0.000 1.007 1048 T CB 1.874 70.874 68.868 0.220 0.000 1.289 1048 T HN 0.162 nan 8.240 nan 0.000 0.508 1049 D N 0.381 120.868 120.400 0.145 0.000 2.413 1049 D HA 0.329 4.972 4.640 0.004 0.000 0.237 1049 D C -0.143 176.215 176.300 0.098 0.000 1.171 1049 D CA -0.001 54.063 54.000 0.108 0.000 0.839 1049 D CB -0.133 40.725 40.800 0.097 0.000 0.950 1049 D HN 0.431 nan 8.370 nan 0.000 0.499 1050 I N 0.246 120.884 120.570 0.114 0.000 2.385 1050 I HA 0.127 4.300 4.170 0.004 0.000 0.294 1050 I C 0.415 176.567 176.117 0.058 0.000 0.988 1050 I CA 0.014 61.375 61.300 0.102 0.000 1.265 1050 I CB 1.715 39.815 38.000 0.167 0.000 1.388 1050 I HN -0.253 nan 8.210 nan 0.000 0.480 1051 T N 4.770 119.349 114.554 0.042 0.000 2.908 1051 T HA 0.184 4.536 4.350 0.004 0.000 0.290 1051 T C 0.842 175.544 174.700 0.002 0.000 1.034 1051 T CA -0.524 61.590 62.100 0.024 0.000 1.010 1051 T CB 2.385 71.276 68.868 0.038 0.000 1.068 1051 T HN 0.276 nan 8.240 nan 0.000 0.481 1052 V N 1.469 121.378 119.914 -0.007 0.000 2.407 1052 V HA -0.121 4.001 4.120 0.004 0.000 0.248 1052 V C 2.346 178.460 176.094 0.034 0.000 1.055 1052 V CA 1.812 64.112 62.300 -0.001 0.000 1.049 1052 V CB -0.372 31.456 31.823 0.008 0.000 0.662 1052 V HN 0.748 nan 8.190 nan 0.000 0.455 1053 E N 0.220 120.442 120.200 0.037 0.000 2.001 1053 E HA -0.138 4.215 4.350 0.004 0.000 0.193 1053 E C 2.322 178.946 176.600 0.040 0.000 0.994 1053 E CA 1.371 57.797 56.400 0.043 0.000 0.815 1053 E CB -1.039 28.685 29.700 0.041 0.000 0.770 1053 E HN 0.571 nan 8.360 nan 0.000 0.453 1054 G N 1.940 110.763 108.800 0.037 0.000 2.606 1054 G HA2 -0.264 3.698 3.960 0.004 0.000 0.223 1054 G HA3 -0.264 3.698 3.960 0.004 0.000 0.223 1054 G C 1.535 176.452 174.900 0.028 0.000 1.106 1054 G CA 0.902 46.023 45.100 0.035 0.000 0.745 1054 G HN 0.114 nan 8.290 nan 0.000 0.597 1055 I N 1.053 121.641 120.570 0.031 0.000 2.206 1055 I HA -0.041 4.131 4.170 0.004 0.000 0.239 1055 I C 2.878 179.005 176.117 0.016 0.000 1.078 1055 I CA 1.220 62.533 61.300 0.022 0.000 1.367 1055 I CB -1.253 36.771 38.000 0.040 0.000 1.078 1055 I HN 0.119 nan 8.210 nan 0.000 0.413 1056 S N 0.960 116.683 115.700 0.039 0.000 2.419 1056 S HA -0.194 4.278 4.470 0.004 0.000 0.235 1056 S C 1.884 176.515 174.600 0.051 0.000 1.019 1056 S CA 1.217 59.450 58.200 0.055 0.000 0.982 1056 S CB -0.228 63.020 63.200 0.080 0.000 0.789 1056 S HN 0.384 nan 8.310 nan 0.000 0.490 1057 K N 1.236 121.661 120.400 0.041 0.000 2.002 1057 K HA 0.035 4.357 4.320 0.004 0.000 0.209 1057 K C 2.002 178.621 176.600 0.031 0.000 1.048 1057 K CA 1.000 57.312 56.287 0.042 0.000 0.930 1057 K CB -0.383 32.139 32.500 0.036 0.000 0.714 1057 K HN 0.243 nan 8.250 nan 0.000 0.438 1058 L N 0.594 121.817 121.223 -0.001 0.000 1.955 1058 L HA -0.229 4.114 4.340 0.004 0.000 0.213 1058 L C 2.408 179.236 176.870 -0.070 0.000 1.072 1058 L CA 0.970 55.777 54.840 -0.056 0.000 0.755 1058 L CB -0.689 41.304 42.059 -0.111 0.000 0.888 1058 L HN 0.222 nan 8.230 nan 0.000 0.432 1059 L N 0.284 121.468 121.223 -0.064 0.000 2.151 1059 L HA -0.275 4.067 4.340 0.004 0.000 0.215 1059 L C 2.621 179.558 176.870 0.113 0.000 1.084 1059 L CA 1.859 56.684 54.840 -0.025 0.000 0.764 1059 L CB -0.608 41.443 42.059 -0.012 0.000 0.891 1059 L HN 0.186 nan 8.230 nan 0.000 0.435 1060 R N 0.438 121.005 120.500 0.112 0.000 2.056 1060 R HA -0.154 4.188 4.340 0.004 0.000 0.227 1060 R C 2.244 178.652 176.300 0.180 0.000 1.149 1060 R CA 2.005 58.195 56.100 0.151 0.000 0.937 1060 R CB -1.091 29.275 30.300 0.110 0.000 0.835 1060 R HN 0.527 nan 8.270 nan 0.000 0.430 1061 E N -0.595 119.695 120.200 0.151 0.000 2.370 1061 E HA -0.247 4.105 4.350 0.004 0.000 0.205 1061 E C 0.676 177.440 176.600 0.273 0.000 1.037 1061 E CA 1.399 57.903 56.400 0.174 0.000 0.845 1061 E CB -0.166 29.627 29.700 0.155 0.000 0.753 1061 E HN 0.552 nan 8.360 nan 0.000 0.507 1062 H N -2.093 117.040 119.070 0.105 0.000 2.505 1062 H HA 0.145 4.704 4.556 0.004 0.000 0.289 1062 H C 1.226 176.717 175.328 0.273 0.000 1.052 1062 H CA 0.056 56.194 56.048 0.149 0.000 1.156 1062 H CB 0.865 30.691 29.762 0.107 0.000 1.507 1062 H HN 0.359 nan 8.280 nan 0.000 0.548 1063 G N 0.875 109.845 108.800 0.283 0.000 2.347 1063 G HA2 -0.315 3.647 3.960 0.004 0.000 0.247 1063 G HA3 -0.315 3.647 3.960 0.004 0.000 0.247 1063 G C -0.258 174.759 174.900 0.195 0.000 1.037 1063 G CA 0.163 45.374 45.100 0.185 0.000 0.622 1063 G HN 0.294 nan 8.290 nan 0.000 0.521 1064 Y N 1.705 122.061 120.300 0.094 0.000 2.310 1064 Y HA 0.571 5.124 4.550 0.004 0.000 0.326 1064 Y C 0.811 176.763 175.900 0.086 0.000 1.151 1064 Y CA -1.145 57.004 58.100 0.083 0.000 1.195 1064 Y CB 0.722 39.230 38.460 0.079 0.000 1.210 1064 Y HN 0.528 nan 8.280 nan 0.000 0.483 1065 Q N 0.553 120.499 119.800 0.243 0.000 2.304 1065 Q HA 0.015 4.358 4.340 0.004 0.000 0.301 1065 Q C 0.738 176.866 176.000 0.215 0.000 1.063 1065 Q CA 0.682 56.602 55.803 0.196 0.000 0.947 1065 Q CB 0.629 29.483 28.738 0.192 0.000 1.201 1065 Q HN 0.710 nan 8.270 nan 0.000 0.389 1066 S N 3.074 118.881 115.700 0.179 0.000 2.805 1066 S HA 0.023 4.495 4.470 0.004 0.000 0.230 1066 S C 0.220 174.933 174.600 0.188 0.000 0.968 1066 S CA -0.037 58.258 58.200 0.159 0.000 0.976 1066 S CB -0.026 63.247 63.200 0.123 0.000 0.787 1066 S HN 0.674 nan 8.310 nan 0.000 0.533 1067 R N -0.184 120.479 120.500 0.271 0.000 2.566 1067 R HA 0.327 4.670 4.340 0.004 0.000 0.388 1067 R C 1.252 177.641 176.300 0.149 0.000 0.989 1067 R CA 0.243 56.522 56.100 0.298 0.000 1.164 1067 R CB -0.280 30.329 30.300 0.515 0.000 1.459 1067 R HN 0.527 nan 8.270 nan 0.000 0.553 1068 G N 1.467 110.281 108.800 0.023 0.000 2.147 1068 G HA2 -0.295 3.668 3.960 0.004 0.000 0.244 1068 G HA3 -0.295 3.668 3.960 0.004 0.000 0.244 1068 G C -0.191 174.549 174.900 -0.267 0.000 1.005 1068 G CA -0.061 44.874 45.100 -0.275 0.000 0.713 1068 G HN 0.213 nan 8.290 nan 0.000 0.515 1069 F N 0.692 120.687 119.950 0.074 0.000 2.384 1069 F HA 0.631 5.160 4.527 0.004 0.000 0.338 1069 F C 0.912 176.756 175.800 0.072 0.000 1.103 1069 F CA -0.235 57.823 58.000 0.098 0.000 1.157 1069 F CB 1.102 40.169 39.000 0.112 0.000 1.167 1069 F HN 0.108 nan 8.300 nan 0.000 0.529 1070 E N 1.239 121.573 120.200 0.223 0.000 2.304 1070 E HA 0.313 4.665 4.350 0.004 0.000 0.277 1070 E C -1.400 175.209 176.600 0.015 0.000 0.898 1070 E CA -0.896 55.563 56.400 0.099 0.000 0.764 1070 E CB 2.699 32.425 29.700 0.044 0.000 1.216 1070 E HN 0.206 nan 8.360 nan 0.000 0.419 1071 V N 3.902 123.806 119.914 -0.017 0.000 2.694 1071 V HA 0.048 4.171 4.120 0.004 0.000 0.306 1071 V C 0.344 176.330 176.094 -0.180 0.000 1.054 1071 V CA 0.815 63.049 62.300 -0.110 0.000 1.161 1071 V CB 0.010 31.758 31.823 -0.125 0.000 0.916 1071 V HN 0.633 nan 8.190 nan 0.000 0.490 1072 M N 4.556 123.984 119.600 -0.286 0.000 2.518 1072 M HA 0.506 4.988 4.480 0.004 0.000 0.300 1072 M C -1.695 174.296 176.300 -0.515 0.000 1.175 1072 M CA -0.616 54.502 55.300 -0.303 0.000 0.890 1072 M CB 2.651 35.115 32.600 -0.227 0.000 1.710 1072 M HN 0.514 nan 8.290 nan 0.000 0.453 1073 Y N 1.030 120.937 120.300 -0.655 0.000 2.335 1073 Y HA 0.273 4.826 4.550 0.004 0.000 0.338 1073 Y C 0.384 175.947 175.900 -0.562 0.000 0.977 1073 Y CA -1.486 56.200 58.100 -0.689 0.000 1.114 1073 Y CB 0.565 38.367 38.460 -1.097 0.000 1.182 1073 Y HN 0.558 nan 8.280 nan 0.000 0.463 1074 N N 1.824 120.470 118.700 -0.091 0.000 2.427 1074 N HA 0.001 4.744 4.740 0.004 0.000 0.269 1074 N C 1.058 176.654 175.510 0.143 0.000 1.235 1074 N CA 0.475 53.566 53.050 0.068 0.000 0.934 1074 N CB 1.219 39.706 38.487 -0.000 0.000 1.121 1074 N HN 0.930 nan 8.380 nan 0.000 0.480 1075 G N 2.541 111.513 108.800 0.287 0.000 2.708 1075 G HA2 -0.183 3.780 3.960 0.004 0.000 0.210 1075 G HA3 -0.183 3.780 3.960 0.004 0.000 0.210 1075 G C 1.073 176.151 174.900 0.297 0.000 1.141 1075 G CA 0.271 45.661 45.100 0.484 0.000 0.788 1075 G HN 0.685 nan 8.290 nan 0.000 0.531 1076 H N -0.024 119.159 119.070 0.189 0.000 2.307 1076 H HA 0.004 4.562 4.556 0.004 0.000 0.303 1076 H C 2.515 177.893 175.328 0.084 0.000 1.073 1076 H CA 1.728 57.832 56.048 0.093 0.000 1.338 1076 H CB -0.269 29.511 29.762 0.030 0.000 1.389 1076 H HN 0.248 nan 8.280 nan 0.000 0.503 1077 T N -1.538 113.170 114.554 0.255 0.000 3.040 1077 T HA 0.202 4.555 4.350 0.004 0.000 0.252 1077 T C 1.436 176.232 174.700 0.161 0.000 1.064 1077 T CA 1.035 63.230 62.100 0.158 0.000 1.110 1077 T CB 0.052 68.987 68.868 0.112 0.000 0.921 1077 T HN 0.687 nan 8.240 nan 0.000 0.480 1078 G N 1.559 110.492 108.800 0.222 0.000 2.268 1078 G HA2 -0.243 3.719 3.960 0.004 0.000 0.240 1078 G HA3 -0.243 3.719 3.960 0.004 0.000 0.240 1078 G C 0.262 175.308 174.900 0.244 0.000 1.010 1078 G CA 0.341 45.598 45.100 0.262 0.000 0.618 1078 G HN 0.579 nan 8.290 nan 0.000 0.516 1079 K N 1.678 122.167 120.400 0.147 0.000 2.382 1079 K HA 0.382 4.704 4.320 0.004 0.000 0.275 1079 K C 0.877 177.476 176.600 -0.001 0.000 1.009 1079 K CA -0.227 56.111 56.287 0.086 0.000 0.970 1079 K CB 0.286 32.806 32.500 0.034 0.000 0.934 1079 K HN 0.283 nan 8.250 nan 0.000 0.479 1080 K N 2.642 122.979 120.400 -0.105 0.000 2.397 1080 K HA 0.017 4.339 4.320 0.004 0.000 0.265 1080 K C -0.057 176.367 176.600 -0.292 0.000 0.982 1080 K CA 0.071 56.089 56.287 -0.448 0.000 0.931 1080 K CB 0.382 32.653 32.500 -0.381 0.000 0.943 1080 K HN 0.483 nan 8.250 nan 0.000 0.501 1081 L N 3.068 124.081 121.223 -0.350 0.000 2.325 1081 L HA 0.081 4.424 4.340 0.004 0.000 0.279 1081 L C 1.367 178.146 176.870 -0.152 0.000 1.054 1081 L CA -0.560 54.167 54.840 -0.188 0.000 0.804 1081 L CB 1.281 43.251 42.059 -0.148 0.000 1.200 1081 L HN 0.708 nan 8.230 nan 0.000 0.436 1082 M N 2.291 121.836 119.600 -0.092 0.000 2.202 1082 M HA -0.025 4.458 4.480 0.004 0.000 0.262 1082 M C 0.593 176.858 176.300 -0.058 0.000 1.063 1082 M CA 1.028 56.287 55.300 -0.069 0.000 1.097 1082 M CB -0.819 31.755 32.600 -0.043 0.000 1.382 1082 M HN 0.590 nan 8.290 nan 0.000 0.413 1083 A N 0.185 122.983 122.820 -0.037 0.000 2.324 1083 A HA 0.571 4.894 4.320 0.004 0.000 0.330 1083 A C -0.391 177.204 177.584 0.018 0.000 1.165 1083 A CA -0.673 51.361 52.037 -0.004 0.000 0.813 1083 A CB 0.663 19.686 19.000 0.037 0.000 1.197 1083 A HN 0.360 nan 8.150 nan 0.000 0.484 1084 Q N 0.324 120.149 119.800 0.041 0.000 2.306 1084 Q HA 0.643 4.985 4.340 0.004 0.000 0.241 1084 Q C -0.808 175.394 176.000 0.336 0.000 0.948 1084 Q CA 0.377 56.255 55.803 0.124 0.000 0.886 1084 Q CB 1.099 29.880 28.738 0.072 0.000 1.227 1084 Q HN 0.644 nan 8.270 nan 0.000 0.457 1085 I N 0.468 121.235 120.570 0.329 0.000 2.693 1085 I HA 0.326 4.498 4.170 0.004 0.000 0.303 1085 I C -0.866 175.390 176.117 0.231 0.000 1.025 1085 I CA -0.874 60.603 61.300 0.295 0.000 1.086 1085 I CB 1.176 39.267 38.000 0.151 0.000 1.268 1085 I HN 0.465 nan 8.210 nan 0.000 0.440 1086 F N 5.113 125.049 119.950 -0.023 0.000 2.445 1086 F HA 0.401 4.930 4.527 0.004 0.000 0.359 1086 F C -0.859 175.015 175.800 0.123 0.000 1.101 1086 F CA -0.127 57.781 58.000 -0.153 0.000 1.177 1086 F CB 0.273 39.146 39.000 -0.212 0.000 1.110 1086 F HN 0.130 nan 8.300 nan 0.000 0.522 1087 F N 4.438 124.076 119.950 -0.519 0.000 2.539 1087 F HA 0.702 5.232 4.527 0.004 0.000 0.328 1087 F C -0.192 175.399 175.800 -0.349 0.000 1.148 1087 F CA -0.748 57.078 58.000 -0.289 0.000 0.940 1087 F CB 1.458 40.383 39.000 -0.125 0.000 1.194 1087 F HN 0.571 nan 8.300 nan 0.000 0.438 1088 G N 4.873 113.327 108.800 -0.577 0.000 2.523 1088 G HA2 0.486 4.449 3.960 0.004 0.000 0.291 1088 G HA3 0.486 4.449 3.960 0.004 0.000 0.291 1088 G C -3.468 171.236 174.900 -0.327 0.000 1.450 1088 G CA -1.168 43.676 45.100 -0.426 0.000 0.790 1088 G HN 0.206 nan 8.290 nan 0.000 0.496 1089 P HA 0.442 nan 4.420 nan 0.000 0.275 1089 P C -0.701 176.569 177.300 -0.050 0.000 1.227 1089 P CA 0.131 63.150 63.100 -0.136 0.000 0.781 1089 P CB 1.437 33.079 31.700 -0.097 0.000 0.906 1090 T N 2.037 116.608 114.554 0.028 0.000 3.172 1090 T HA 0.157 4.510 4.350 0.004 0.000 0.320 1090 T C -1.259 173.601 174.700 0.267 0.000 1.085 1090 T CA -0.296 61.875 62.100 0.119 0.000 1.052 1090 T CB 0.560 69.522 68.868 0.156 0.000 1.107 1090 T HN 0.196 nan 8.240 nan 0.000 0.458 1091 Y N 3.352 123.709 120.300 0.094 0.000 2.480 1091 Y HA 0.454 5.007 4.550 0.005 0.000 0.341 1091 Y C -0.925 175.092 175.900 0.195 0.000 1.031 1091 Y CA -0.043 58.144 58.100 0.145 0.000 1.295 1091 Y CB 0.152 38.659 38.460 0.079 0.000 1.162 1091 Y HN 0.584 nan 8.280 nan 0.000 0.523 1092 Y N 3.692 123.946 120.300 -0.076 0.000 2.457 1092 Y HA 0.396 4.949 4.550 0.004 0.000 0.333 1092 Y C -0.277 175.696 175.900 0.122 0.000 1.119 1092 Y CA -0.847 57.310 58.100 0.096 0.000 1.143 1092 Y CB 1.536 40.143 38.460 0.245 0.000 1.230 1092 Y HN 0.441 nan 8.280 nan 0.000 0.469 1093 Q N 2.580 122.489 119.800 0.182 0.000 2.316 1093 Q HA 0.417 4.759 4.340 0.004 0.000 0.264 1093 Q C -0.852 175.079 176.000 -0.115 0.000 0.987 1093 Q CA -1.018 54.833 55.803 0.081 0.000 0.852 1093 Q CB 2.577 31.346 28.738 0.050 0.000 1.287 1093 Q HN 0.498 nan 8.270 nan 0.000 0.448 1094 R N 3.546 123.899 120.500 -0.246 0.000 2.198 1094 R HA 0.373 4.715 4.340 0.004 0.000 0.339 1094 R C -0.877 175.188 176.300 -0.392 0.000 1.020 1094 R CA -0.211 55.509 56.100 -0.634 0.000 0.864 1094 R CB 0.357 30.313 30.300 -0.573 0.000 1.105 1094 R HN 0.562 nan 8.270 nan 0.000 0.463 1095 L N 4.192 125.128 121.223 -0.479 0.000 2.379 1095 L HA 0.470 4.812 4.340 0.004 0.000 0.269 1095 L C 0.790 177.456 176.870 -0.341 0.000 1.084 1095 L CA -1.032 53.621 54.840 -0.310 0.000 0.802 1095 L CB 1.094 43.024 42.059 -0.214 0.000 1.175 1095 L HN 0.670 nan 8.230 nan 0.000 0.448 1096 R N 0.804 121.041 120.500 -0.437 0.000 2.919 1096 R HA 0.089 4.432 4.340 0.004 0.000 0.284 1096 R C -0.749 175.245 176.300 -0.510 0.000 1.104 1096 R CA 0.103 55.908 56.100 -0.490 0.000 1.207 1096 R CB 0.168 29.930 30.300 -0.896 0.000 1.162 1096 R HN 0.693 nan 8.270 nan 0.000 0.561 1097 H N -1.239 117.711 119.070 -0.200 0.000 3.461 1097 H HA -0.070 4.488 4.556 0.004 0.000 0.376 1097 H C -1.244 173.997 175.328 -0.145 0.000 1.351 1097 H CA 0.616 56.566 56.048 -0.163 0.000 1.394 1097 H CB -1.845 27.823 29.762 -0.156 0.000 1.455 1097 H HN 0.581 nan 8.280 nan 0.000 0.466 1098 M N 0.288 119.866 119.600 -0.036 0.000 2.508 1098 M HA 0.358 4.841 4.480 0.004 0.000 0.327 1098 M C 1.884 178.176 176.300 -0.014 0.000 1.160 1098 M CA -0.886 54.390 55.300 -0.039 0.000 0.980 1098 M CB 2.112 34.666 32.600 -0.077 0.000 1.693 1098 M HN -0.013 nan 8.290 nan 0.000 0.452 1099 V N 0.365 120.281 119.914 0.003 0.000 2.231 1099 V HA -0.309 3.814 4.120 0.004 0.000 0.250 1099 V C 1.572 177.671 176.094 0.008 0.000 1.058 1099 V CA 2.091 64.397 62.300 0.010 0.000 1.022 1099 V CB -0.662 31.173 31.823 0.020 0.000 0.640 1099 V HN 0.906 nan 8.190 nan 0.000 0.445 1100 D N -0.257 120.147 120.400 0.006 0.000 2.362 1100 D HA -0.178 4.465 4.640 0.004 0.000 0.215 1100 D C 1.547 177.852 176.300 0.007 0.000 0.978 1100 D CA 1.264 55.270 54.000 0.011 0.000 0.921 1100 D CB -0.199 40.609 40.800 0.013 0.000 0.895 1100 D HN 0.497 nan 8.370 nan 0.000 0.494 1101 D N -0.773 119.620 120.400 -0.012 0.000 2.339 1101 D HA 0.011 4.654 4.640 0.004 0.000 0.217 1101 D C 1.721 178.026 176.300 0.009 0.000 1.050 1101 D CA 0.250 54.240 54.000 -0.017 0.000 0.856 1101 D CB 0.487 41.246 40.800 -0.068 0.000 0.922 1101 D HN 0.139 nan 8.370 nan 0.000 0.518 1102 K N 0.123 120.536 120.400 0.021 0.000 2.306 1102 K HA 0.123 4.446 4.320 0.004 0.000 0.200 1102 K C 0.891 177.531 176.600 0.067 0.000 1.083 1102 K CA -0.063 56.246 56.287 0.037 0.000 0.959 1102 K CB 0.676 33.190 32.500 0.022 0.000 0.994 1102 K HN 0.022 nan 8.250 nan 0.000 0.492 1103 I N 4.108 124.710 120.570 0.054 0.000 3.184 1103 I HA -0.102 4.071 4.170 0.004 0.000 0.310 1103 I C 0.671 176.843 176.117 0.091 0.000 0.892 1103 I CA 0.252 61.585 61.300 0.054 0.000 2.548 1103 I CB -3.028 34.992 38.000 0.034 0.000 1.567 1103 I HN 0.105 nan 8.210 nan 0.000 1.151 1104 H N 2.663 121.736 119.070 0.006 0.000 2.690 1104 H HA 0.655 5.213 4.556 0.003 0.000 0.365 1104 H C -0.474 174.858 175.328 0.007 0.000 1.142 1104 H CA -0.445 55.607 56.048 0.007 0.000 1.417 1104 H CB 0.996 30.763 29.762 0.008 0.000 1.446 1104 H HN 0.483 nan 8.280 nan 0.000 0.599 1105 A N 4.731 127.342 122.820 -0.349 0.000 2.540 1105 A HA 0.526 4.848 4.320 0.004 0.000 0.297 1105 A C -0.908 176.502 177.584 -0.290 0.000 1.056 1105 A CA -0.814 50.980 52.037 -0.406 0.000 0.700 1105 A CB 1.195 20.111 19.000 -0.141 0.000 1.280 1105 A HN 0.898 nan 8.150 nan 0.000 0.398 1106 R N 1.261 121.599 120.500 -0.270 0.000 2.854 1106 R HA 0.843 5.186 4.340 0.004 0.000 0.271 1106 R C -0.647 175.629 176.300 -0.040 0.000 0.996 1106 R CA 0.007 56.084 56.100 -0.040 0.000 0.961 1106 R CB 1.973 32.306 30.300 0.054 0.000 1.182 1106 R HN 1.459 nan 8.270 nan 0.000 0.479 1107 A N 3.536 126.352 122.820 -0.007 0.000 3.415 1107 A HA 0.311 4.633 4.320 0.004 0.000 0.244 1107 A C -0.786 176.797 177.584 -0.003 0.000 0.988 1107 A CA -0.346 51.683 52.037 -0.013 0.000 0.991 1107 A CB 0.121 19.113 19.000 -0.014 0.000 1.240 1107 A HN 0.920 nan 8.150 nan 0.000 0.541 1108 R N -0.592 119.909 120.500 0.002 0.000 1.108 1108 R HA 0.007 4.350 4.340 0.004 0.000 0.425 1108 R C -0.159 176.150 176.300 0.016 0.000 1.347 1108 R CA 0.908 57.011 56.100 0.005 0.000 1.080 1108 R CB -1.133 29.167 30.300 -0.001 0.000 3.248 1108 R HN 1.827 nan 8.270 nan 0.000 0.507 1109 G N 3.953 112.766 108.800 0.021 0.000 2.827 1109 G HA2 0.646 4.609 3.960 0.004 0.000 0.202 1109 G HA3 0.646 4.609 3.960 0.004 0.000 0.202 1109 G C -2.768 172.145 174.900 0.022 0.000 1.185 1109 G CA -0.200 44.916 45.100 0.026 0.000 0.920 1109 G HN 0.595 nan 8.290 nan 0.000 0.550 1110 P HA 0.394 nan 4.420 nan 0.000 0.273 1110 P C -0.756 176.549 177.300 0.008 0.000 1.250 1110 P CA 0.258 63.369 63.100 0.018 0.000 0.793 1110 P CB 1.007 32.722 31.700 0.025 0.000 1.011 1111 M N -0.478 119.118 119.600 -0.005 0.000 2.618 1111 M HA 0.266 4.748 4.480 0.004 0.000 0.281 1111 M C 0.258 176.546 176.300 -0.020 0.000 1.267 1111 M CA -0.839 54.452 55.300 -0.015 0.000 0.845 1111 M CB 2.373 34.952 32.600 -0.035 0.000 1.732 1111 M HN 0.352 nan 8.290 nan 0.000 0.461 1112 Q N 0.120 119.910 119.800 -0.017 0.000 2.500 1112 Q HA 0.224 4.566 4.340 0.004 0.000 0.215 1112 Q C 1.019 176.997 176.000 -0.037 0.000 1.062 1112 Q CA -0.342 55.453 55.803 -0.014 0.000 0.996 1112 Q CB 0.810 29.548 28.738 0.001 0.000 1.239 1112 Q HN 0.618 nan 8.270 nan 0.000 0.578 1113 V N -1.142 118.756 119.914 -0.028 0.000 2.500 1113 V HA -0.121 4.002 4.120 0.004 0.000 0.243 1113 V C 1.769 177.837 176.094 -0.044 0.000 1.039 1113 V CA 0.576 62.849 62.300 -0.045 0.000 1.053 1113 V CB -0.602 31.207 31.823 -0.022 0.000 0.695 1113 V HN 0.552 nan 8.190 nan 0.000 0.463 1114 L N 1.454 122.678 121.223 0.002 0.000 1.950 1114 L HA -0.078 4.264 4.340 0.004 0.000 0.210 1114 L C 2.579 179.519 176.870 0.118 0.000 1.079 1114 L CA 2.909 57.780 54.840 0.053 0.000 0.754 1114 L CB -1.393 40.698 42.059 0.054 0.000 0.889 1114 L HN 0.398 nan 8.230 nan 0.000 0.433 1115 T N 0.090 114.701 114.554 0.096 0.000 2.777 1115 T HA -0.073 4.279 4.350 0.004 0.000 0.266 1115 T C 0.676 175.435 174.700 0.098 0.000 1.040 1115 T CA 0.923 63.115 62.100 0.153 0.000 1.141 1115 T CB -0.085 68.832 68.868 0.083 0.000 0.868 1115 T HN 0.371 nan 8.240 nan 0.000 0.444 1116 R N 0.440 120.904 120.500 -0.060 0.000 3.739 1116 R HA -0.102 4.241 4.340 0.004 0.000 0.338 1116 R C -0.405 175.865 176.300 -0.050 0.000 1.151 1116 R CA 0.333 56.339 56.100 -0.157 0.000 0.873 1116 R CB -2.405 27.664 30.300 -0.385 0.000 1.455 1116 R HN 0.507 nan 8.270 nan 0.000 0.502 1117 Q N 0.763 120.561 119.800 -0.002 0.000 2.215 1117 Q HA 0.443 4.785 4.340 0.004 0.000 0.256 1117 Q C -2.279 173.727 176.000 0.010 0.000 0.972 1117 Q CA -2.139 53.674 55.803 0.017 0.000 0.889 1117 Q CB 1.462 30.221 28.738 0.036 0.000 1.281 1117 Q HN -0.127 nan 8.270 nan 0.000 0.456 1118 P HA -0.072 nan 4.420 nan 0.000 0.269 1118 P C -0.680 176.636 177.300 0.026 0.000 1.215 1118 P CA -0.190 62.923 63.100 0.023 0.000 0.780 1118 P CB 0.339 32.059 31.700 0.034 0.000 0.898 1119 V N -0.061 119.867 119.914 0.024 0.000 3.003 1119 V HA 0.259 4.381 4.120 0.004 0.000 0.305 1119 V C 0.206 176.313 176.094 0.023 0.000 1.078 1119 V CA -0.560 61.751 62.300 0.019 0.000 1.083 1119 V CB 0.582 32.412 31.823 0.011 0.000 1.039 1119 V HN 0.637 nan 8.190 nan 0.000 0.481 1120 E N 3.202 123.411 120.200 0.016 0.000 2.343 1120 E HA 0.576 4.928 4.350 0.004 0.000 0.269 1120 E C 0.147 176.742 176.600 -0.008 0.000 1.047 1120 E CA 0.171 56.579 56.400 0.014 0.000 0.874 1120 E CB 0.823 30.531 29.700 0.013 0.000 1.033 1120 E HN 2.126 nan 8.360 nan 0.000 0.409 1121 G N 2.850 111.638 108.800 -0.020 0.000 3.039 1121 G HA2 -0.240 3.723 3.960 0.004 0.000 0.686 1121 G HA3 -0.240 3.723 3.960 0.004 0.000 0.686 1121 G C 0.244 175.013 174.900 -0.218 0.000 1.066 1121 G CA -0.032 45.022 45.100 -0.076 0.000 0.774 1121 G HN 0.814 nan 8.290 nan 0.000 0.591 1122 R N 0.813 121.100 120.500 -0.355 0.000 2.115 1122 R HA -0.018 4.325 4.340 0.004 0.000 0.226 1122 R C 2.578 178.658 176.300 -0.367 0.000 1.100 1122 R CA 2.177 57.799 56.100 -0.797 0.000 0.980 1122 R CB -0.541 29.429 30.300 -0.550 0.000 0.875 1122 R HN 0.800 nan 8.270 nan 0.000 0.445 1123 S N 1.152 116.743 115.700 -0.182 0.000 2.421 1123 S HA -0.211 4.261 4.470 0.004 0.000 0.239 1123 S C 0.989 175.549 174.600 -0.067 0.000 1.054 1123 S CA 1.894 60.042 58.200 -0.086 0.000 1.035 1123 S CB -0.312 62.860 63.200 -0.048 0.000 0.840 1123 S HN 0.562 nan 8.310 nan 0.000 0.475 1124 R N 0.651 121.098 120.500 -0.089 0.000 2.690 1124 R HA 0.399 4.742 4.340 0.004 0.000 0.419 1124 R C -0.706 175.564 176.300 -0.049 0.000 1.090 1124 R CA 0.130 56.202 56.100 -0.045 0.000 1.064 1124 R CB -0.318 29.971 30.300 -0.018 0.000 1.391 1124 R HN 0.144 nan 8.270 nan 0.000 0.586 1125 D N 0.202 120.538 120.400 -0.106 0.000 2.718 1125 D HA -0.131 4.511 4.640 0.004 0.000 0.242 1125 D C 0.442 176.764 176.300 0.037 0.000 1.123 1125 D CA 1.172 55.160 54.000 -0.020 0.000 0.690 1125 D CB -0.820 39.997 40.800 0.027 0.000 1.059 1125 D HN 0.493 nan 8.370 nan 0.000 0.429 1126 G N -0.626 108.156 108.800 -0.031 0.000 2.504 1126 G HA2 0.673 4.636 3.960 0.004 0.000 0.257 1126 G HA3 0.673 4.636 3.960 0.004 0.000 0.257 1126 G C 0.725 175.756 174.900 0.219 0.000 1.451 1126 G CA -0.095 45.050 45.100 0.074 0.000 1.059 1126 G HN 0.512 nan 8.290 nan 0.000 0.550 1127 G N -2.000 106.899 108.800 0.165 0.000 3.075 1127 G HA2 0.593 4.555 3.960 0.004 0.000 0.253 1127 G HA3 0.593 4.555 3.960 0.004 0.000 0.253 1127 G C -1.183 173.805 174.900 0.146 0.000 1.353 1127 G CA -0.850 44.330 45.100 0.134 0.000 1.051 1127 G HN 0.520 nan 8.290 nan 0.000 0.553 1128 L N -0.588 120.687 121.223 0.087 0.000 2.341 1128 L HA 0.576 4.918 4.340 0.004 0.000 0.267 1128 L C 0.327 177.253 176.870 0.093 0.000 1.009 1128 L CA -0.884 54.007 54.840 0.085 0.000 0.819 1128 L CB 2.362 44.452 42.059 0.051 0.000 1.323 1128 L HN 0.422 nan 8.230 nan 0.000 0.425 1129 R N 1.130 121.684 120.500 0.092 0.000 2.234 1129 R HA 0.241 4.583 4.340 0.004 0.000 0.324 1129 R C -1.114 175.274 176.300 0.146 0.000 1.054 1129 R CA -0.421 55.737 56.100 0.096 0.000 0.912 1129 R CB 0.532 30.864 30.300 0.053 0.000 1.030 1129 R HN 0.416 nan 8.270 nan 0.000 0.455 1130 F N 5.181 125.131 119.950 0.000 0.000 2.425 1130 F HA 0.393 4.923 4.527 0.004 0.000 0.354 1130 F C 0.318 176.117 175.800 -0.002 0.000 1.162 1130 F CA -0.984 57.016 58.000 -0.001 0.000 1.250 1130 F CB 0.304 39.296 39.000 -0.013 0.000 1.579 1130 F HN 0.623 nan 8.300 nan 0.000 0.589 1131 G N 3.501 112.184 108.800 -0.195 0.000 2.491 1131 G HA2 -0.013 3.949 3.960 0.004 0.000 0.238 1131 G HA3 -0.013 3.949 3.960 0.004 0.000 0.238 1131 G C 0.856 175.568 174.900 -0.314 0.000 1.277 1131 G CA -0.258 44.717 45.100 -0.208 0.000 0.851 1131 G HN 0.744 nan 8.290 nan 0.000 0.573 1132 E N 0.636 120.726 120.200 -0.184 0.000 2.217 1132 E HA -0.353 3.999 4.350 0.004 0.000 0.219 1132 E C 2.288 178.770 176.600 -0.197 0.000 1.070 1132 E CA 2.043 58.349 56.400 -0.157 0.000 0.889 1132 E CB -0.097 29.548 29.700 -0.092 0.000 0.768 1132 E HN 0.648 nan 8.360 nan 0.000 0.465 1133 M N 0.128 119.621 119.600 -0.178 0.000 2.117 1133 M HA -0.201 4.282 4.480 0.004 0.000 0.262 1133 M C 1.702 177.876 176.300 -0.210 0.000 1.065 1133 M CA 1.562 56.769 55.300 -0.155 0.000 1.114 1133 M CB 0.151 32.686 32.600 -0.108 0.000 1.361 1133 M HN -0.061 nan 8.290 nan 0.000 0.408 1134 E N -0.509 119.480 120.200 -0.353 0.000 2.208 1134 E HA -0.131 4.221 4.350 0.004 0.000 0.193 1134 E C 1.850 178.186 176.600 -0.439 0.000 0.988 1134 E CA 0.677 56.841 56.400 -0.394 0.000 0.828 1134 E CB -0.324 29.064 29.700 -0.520 0.000 0.763 1134 E HN 0.378 nan 8.360 nan 0.000 0.478 1135 R N 0.987 121.154 120.500 -0.555 0.000 2.070 1135 R HA -0.177 4.165 4.340 0.004 0.000 0.233 1135 R C 1.139 177.388 176.300 -0.086 0.000 1.137 1135 R CA 1.816 57.753 56.100 -0.272 0.000 0.945 1135 R CB -0.276 29.893 30.300 -0.218 0.000 0.845 1135 R HN 0.132 nan 8.270 nan 0.000 0.430 1136 D N 0.572 120.913 120.400 -0.098 0.000 2.192 1136 D HA -0.248 4.395 4.640 0.004 0.000 0.189 1136 D C 2.008 178.298 176.300 -0.018 0.000 1.007 1136 D CA 1.853 55.828 54.000 -0.043 0.000 0.859 1136 D CB -0.811 39.959 40.800 -0.050 0.000 0.936 1136 D HN 0.378 nan 8.370 nan 0.000 0.447 1137 C N 0.323 119.595 119.300 -0.046 0.000 2.425 1137 C HA -0.103 4.359 4.460 0.004 0.000 0.277 1137 C C 2.713 177.652 174.990 -0.085 0.000 1.280 1137 C CA 0.259 59.242 59.018 -0.058 0.000 1.744 1137 C CB -0.724 26.951 27.740 -0.108 0.000 1.989 1137 C HN 0.305 nan 8.230 nan 0.000 0.491 1138 M N 1.097 120.699 119.600 0.003 0.000 2.067 1138 M HA -0.053 4.430 4.480 0.004 0.000 0.260 1138 M C 2.008 178.375 176.300 0.112 0.000 1.069 1138 M CA 1.499 56.851 55.300 0.087 0.000 1.117 1138 M CB -1.281 31.521 32.600 0.337 0.000 1.334 1138 M HN 0.336 nan 8.290 nan 0.000 0.407 1139 I N -0.240 120.391 120.570 0.101 0.000 2.248 1139 I HA -0.315 3.858 4.170 0.004 0.000 0.248 1139 I C 2.456 178.633 176.117 0.101 0.000 1.107 1139 I CA 1.251 62.606 61.300 0.093 0.000 1.373 1139 I CB -0.946 37.091 38.000 0.062 0.000 1.055 1139 I HN 0.241 nan 8.210 nan 0.000 0.418 1140 A N 0.609 123.493 122.820 0.106 0.000 1.892 1140 A HA -0.277 4.045 4.320 0.004 0.000 0.218 1140 A C 2.130 179.839 177.584 0.207 0.000 1.188 1140 A CA 2.095 54.217 52.037 0.142 0.000 0.631 1140 A CB -0.977 18.116 19.000 0.156 0.000 0.822 1140 A HN 0.428 nan 8.150 nan 0.000 0.447 1141 H N -1.417 117.665 119.070 0.020 0.000 2.457 1141 H HA 0.218 4.777 4.556 0.004 0.000 0.294 1141 H C 1.779 177.114 175.328 0.012 0.000 1.064 1141 H CA 0.715 56.767 56.048 0.007 0.000 1.330 1141 H CB -0.262 29.495 29.762 -0.008 0.000 1.395 1141 H HN 0.726 nan 8.280 nan 0.000 0.541 1142 G N -0.793 108.102 108.800 0.157 0.000 2.141 1142 G HA2 -0.221 3.742 3.960 0.004 0.000 0.231 1142 G HA3 -0.221 3.742 3.960 0.004 0.000 0.231 1142 G C 0.555 175.517 174.900 0.104 0.000 0.984 1142 G CA 0.242 45.401 45.100 0.099 0.000 0.660 1142 G HN 0.699 nan 8.290 nan 0.000 0.525 1143 A N 0.236 123.139 122.820 0.138 0.000 3.037 1143 A HA 0.815 5.138 4.320 0.004 0.000 0.272 1143 A C 1.751 179.446 177.584 0.185 0.000 1.723 1143 A CA 1.045 53.167 52.037 0.142 0.000 1.413 1143 A CB -0.469 18.595 19.000 0.106 0.000 1.112 1143 A HN 1.798 nan 8.150 nan 0.000 0.606 1144 A N 1.320 124.219 122.820 0.132 0.000 1.836 1144 A HA -0.123 4.200 4.320 0.004 0.000 0.215 1144 A C 2.440 180.093 177.584 0.116 0.000 1.214 1144 A CA 2.124 54.228 52.037 0.111 0.000 0.636 1144 A CB -1.290 17.755 19.000 0.075 0.000 0.847 1144 A HN 0.653 nan 8.150 nan 0.000 0.451 1145 S N -1.376 114.382 115.700 0.097 0.000 2.414 1145 S HA -0.267 4.206 4.470 0.004 0.000 0.241 1145 S C 1.617 176.266 174.600 0.083 0.000 1.079 1145 S CA 2.142 60.389 58.200 0.077 0.000 1.087 1145 S CB -0.594 62.653 63.200 0.078 0.000 0.927 1145 S HN 0.608 nan 8.310 nan 0.000 0.456 1146 F N 1.056 121.004 119.950 -0.004 0.000 2.325 1146 F HA 0.096 4.625 4.527 0.004 0.000 0.299 1146 F C 1.826 177.604 175.800 -0.037 0.000 1.090 1146 F CA 0.814 58.797 58.000 -0.028 0.000 1.392 1146 F CB -0.195 38.792 39.000 -0.021 0.000 1.053 1146 F HN 0.146 nan 8.300 nan 0.000 0.521 1147 L N 0.306 121.545 121.223 0.026 0.000 2.056 1147 L HA -0.200 4.142 4.340 0.004 0.000 0.207 1147 L C 2.597 179.407 176.870 -0.100 0.000 1.078 1147 L CA 1.602 56.434 54.840 -0.012 0.000 0.749 1147 L CB -0.520 41.620 42.059 0.135 0.000 0.901 1147 L HN 0.154 nan 8.230 nan 0.000 0.433 1148 K N 0.054 120.416 120.400 -0.064 0.000 1.991 1148 K HA -0.287 4.035 4.320 0.004 0.000 0.212 1148 K C 1.983 178.500 176.600 -0.138 0.000 1.049 1148 K CA 1.957 58.203 56.287 -0.068 0.000 0.932 1148 K CB -0.191 32.285 32.500 -0.041 0.000 0.717 1148 K HN 0.261 nan 8.250 nan 0.000 0.441 1149 E N 0.095 120.183 120.200 -0.187 0.000 2.048 1149 E HA -0.264 4.089 4.350 0.004 0.000 0.202 1149 E C 2.191 178.607 176.600 -0.306 0.000 1.021 1149 E CA 1.392 57.655 56.400 -0.228 0.000 0.825 1149 E CB 0.076 29.629 29.700 -0.246 0.000 0.756 1149 E HN 0.196 nan 8.360 nan 0.000 0.454 1150 R N -0.144 120.043 120.500 -0.521 0.000 2.092 1150 R HA -0.098 4.245 4.340 0.004 0.000 0.231 1150 R C 2.191 178.322 176.300 -0.280 0.000 1.119 1150 R CA 0.645 56.404 56.100 -0.568 0.000 0.970 1150 R CB -0.417 29.245 30.300 -1.062 0.000 0.864 1150 R HN 0.221 nan 8.270 nan 0.000 0.440 1151 L N -0.481 120.647 121.223 -0.159 0.000 2.591 1151 L HA 0.139 4.482 4.340 0.004 0.000 0.228 1151 L C 1.761 178.616 176.870 -0.025 0.000 1.133 1151 L CA 0.909 55.736 54.840 -0.022 0.000 0.880 1151 L CB 0.140 42.219 42.059 0.034 0.000 1.033 1151 L HN 0.098 nan 8.230 nan 0.000 0.450 1152 M N -2.719 116.844 119.600 -0.063 0.000 2.102 1152 M HA 0.084 4.567 4.480 0.004 0.000 0.199 1152 M C 1.587 177.865 176.300 -0.037 0.000 1.558 1152 M CA 0.485 55.767 55.300 -0.031 0.000 0.982 1152 M CB 0.382 32.961 32.600 -0.036 0.000 1.521 1152 M HN -0.031 nan 8.290 nan 0.000 0.571 1153 E N 1.516 121.671 120.200 -0.076 0.000 2.107 1153 E HA 0.113 4.466 4.350 0.004 0.000 0.191 1153 E C 0.800 177.367 176.600 -0.054 0.000 0.982 1153 E CA 0.830 57.193 56.400 -0.063 0.000 0.809 1153 E CB 0.061 29.713 29.700 -0.080 0.000 0.756 1153 E HN 0.412 nan 8.360 nan 0.000 0.459 1154 A N 0.595 123.363 122.820 -0.085 0.000 2.272 1154 A HA 0.518 4.841 4.320 0.004 0.000 0.275 1154 A C 0.460 178.017 177.584 -0.044 0.000 1.096 1154 A CA 0.124 52.118 52.037 -0.071 0.000 0.822 1154 A CB 0.581 19.513 19.000 -0.114 0.000 1.088 1154 A HN 0.178 nan 8.150 nan 0.000 0.495 1155 S N 0.074 115.762 115.700 -0.020 0.000 3.381 1155 S HA -0.201 4.271 4.470 0.004 0.000 0.636 1155 S C -0.229 174.388 174.600 0.029 0.000 2.614 1155 S CA 1.251 59.454 58.200 0.006 0.000 2.810 1155 S CB -2.210 60.996 63.200 0.009 0.000 0.331 1155 S HN 1.225 nan 8.310 nan 0.000 1.788 1156 D N 1.468 121.902 120.400 0.056 0.000 2.474 1156 D HA 0.472 5.115 4.640 0.004 0.000 0.232 1156 D C 0.202 176.576 176.300 0.123 0.000 1.177 1156 D CA 1.412 55.478 54.000 0.110 0.000 0.876 1156 D CB 0.135 41.027 40.800 0.153 0.000 1.208 1156 D HN 1.365 nan 8.370 nan 0.000 0.464 1157 A N 1.259 124.201 122.820 0.203 0.000 2.573 1157 A HA 0.476 4.799 4.320 0.004 0.000 0.312 1157 A C -1.821 175.998 177.584 0.392 0.000 1.041 1157 A CA -0.807 51.367 52.037 0.229 0.000 0.880 1157 A CB 0.464 19.546 19.000 0.136 0.000 1.249 1157 A HN 0.431 nan 8.150 nan 0.000 0.385 1158 F N 2.689 122.767 119.950 0.215 0.000 2.654 1158 F HA 0.651 5.181 4.527 0.004 0.000 0.314 1158 F C -0.885 174.950 175.800 0.059 0.000 1.116 1158 F CA -0.519 57.582 58.000 0.167 0.000 1.017 1158 F CB 1.234 40.387 39.000 0.254 0.000 1.285 1158 F HN 0.744 nan 8.300 nan 0.000 0.448 1159 R N 4.857 124.929 120.500 -0.713 0.000 2.349 1159 R HA 0.791 5.133 4.340 0.004 0.000 0.299 1159 R C -1.876 173.690 176.300 -1.224 0.000 1.027 1159 R CA -0.243 55.318 56.100 -0.898 0.000 0.958 1159 R CB 1.440 31.352 30.300 -0.648 0.000 1.047 1159 R HN 0.590 nan 8.270 nan 0.000 0.468 1160 V N 4.144 123.581 119.914 -0.795 0.000 2.876 1160 V HA 0.368 4.491 4.120 0.004 0.000 0.312 1160 V C -0.444 175.464 176.094 -0.309 0.000 1.085 1160 V CA -0.989 60.964 62.300 -0.579 0.000 0.945 1160 V CB 2.107 33.738 31.823 -0.320 0.000 1.017 1160 V HN 0.778 nan 8.190 nan 0.000 0.428 1161 H N 3.163 122.192 119.070 -0.068 0.000 2.508 1161 H HA 0.692 5.251 4.556 0.004 0.000 0.344 1161 H C -0.694 174.639 175.328 0.009 0.000 1.192 1161 H CA -0.696 55.338 56.048 -0.023 0.000 1.290 1161 H CB 2.040 31.826 29.762 0.039 0.000 1.571 1161 H HN 0.328 nan 8.280 nan 0.000 0.555 1162 I N 0.464 121.131 120.570 0.162 0.000 2.913 1162 I HA 0.001 4.174 4.170 0.004 0.000 0.302 1162 I C -0.131 176.039 176.117 0.088 0.000 1.246 1162 I CA -0.514 60.849 61.300 0.105 0.000 1.010 1162 I CB 2.727 40.774 38.000 0.078 0.000 1.259 1162 I HN 0.549 nan 8.210 nan 0.000 0.434 1163 C N 3.550 122.882 119.300 0.052 0.000 2.629 1163 C HA 0.376 4.839 4.460 0.004 0.000 0.410 1163 C C 1.685 176.686 174.990 0.017 0.000 1.339 1163 C CA 0.013 59.050 59.018 0.032 0.000 1.810 1163 C CB -0.256 27.493 27.740 0.015 0.000 2.549 1163 C HN 0.988 nan 8.230 nan 0.000 0.589 1164 G N 5.150 114.002 108.800 0.088 0.000 2.956 1164 G HA2 0.102 4.064 3.960 0.004 0.000 0.207 1164 G HA3 0.102 4.064 3.960 0.004 0.000 0.207 1164 G C 0.914 175.745 174.900 -0.115 0.000 1.162 1164 G CA 0.377 45.545 45.100 0.115 0.000 0.796 1164 G HN 0.709 nan 8.290 nan 0.000 0.527 1165 I N 0.082 120.581 120.570 -0.119 0.000 4.518 1165 I HA 0.084 4.256 4.170 0.004 0.000 0.247 1165 I C 1.669 177.721 176.117 -0.108 0.000 0.994 1165 I CA 0.165 61.397 61.300 -0.114 0.000 2.009 1165 I CB -0.285 37.697 38.000 -0.029 0.000 1.547 1165 I HN 0.147 nan 8.210 nan 0.000 0.463 1166 c N 2.742 121.330 118.600 -0.021 0.000 2.980 1166 c HA 0.397 4.969 4.570 0.004 0.000 0.486 1166 c C 1.549 175.658 174.090 0.031 0.000 1.258 1166 c CA -0.744 55.604 56.329 0.032 0.000 1.481 1166 c CB -2.282 40.246 42.510 0.031 0.000 1.742 1166 c HN 0.738 nan 8.230 nan 0.000 0.617 1167 G N 1.303 110.097 108.800 -0.010 0.000 2.195 1167 G HA2 -0.193 3.769 3.960 0.004 0.000 0.264 1167 G HA3 -0.193 3.769 3.960 0.004 0.000 0.264 1167 G C -0.132 174.772 174.900 0.007 0.000 0.765 1167 G CA 0.643 45.740 45.100 -0.004 0.000 0.974 1167 G HN 0.841 nan 8.290 nan 0.000 0.444 1168 L N -1.207 120.019 121.223 0.005 0.000 2.371 1168 L HA 0.446 4.788 4.340 0.004 0.000 0.262 1168 L C 1.025 177.921 176.870 0.044 0.000 1.006 1168 L CA -1.174 53.676 54.840 0.017 0.000 0.818 1168 L CB 1.890 43.962 42.059 0.022 0.000 1.354 1168 L HN 0.072 nan 8.230 nan 0.000 0.415 1169 M N 1.577 121.208 119.600 0.052 0.000 3.700 1169 M HA 0.067 4.549 4.480 0.004 0.000 0.190 1169 M C 0.075 176.425 176.300 0.083 0.000 1.422 1169 M CA 0.229 55.578 55.300 0.081 0.000 1.646 1169 M CB -0.575 32.083 32.600 0.098 0.000 1.154 1169 M HN 0.553 nan 8.290 nan 0.000 0.506 1170 T N -0.822 113.778 114.554 0.077 0.000 3.129 1170 T HA 0.199 4.552 4.350 0.004 0.000 0.267 1170 T C 0.631 175.387 174.700 0.094 0.000 1.018 1170 T CA -0.127 62.017 62.100 0.074 0.000 0.903 1170 T CB 0.169 69.071 68.868 0.057 0.000 1.067 1170 T HN 0.170 nan 8.240 nan 0.000 0.549 1171 V N 0.947 120.934 119.914 0.122 0.000 3.295 1171 V HA 0.528 4.650 4.120 0.004 0.000 0.308 1171 V C 0.014 176.218 176.094 0.183 0.000 1.068 1171 V CA -0.976 61.420 62.300 0.159 0.000 1.062 1171 V CB 1.510 33.451 31.823 0.197 0.000 1.162 1171 V HN 0.209 nan 8.190 nan 0.000 0.456 1172 I N 1.167 121.861 120.570 0.207 0.000 2.521 1172 I HA 0.448 4.621 4.170 0.004 0.000 0.277 1172 I C 0.304 176.519 176.117 0.163 0.000 1.054 1172 I CA -0.312 61.089 61.300 0.168 0.000 1.117 1172 I CB 1.376 39.438 38.000 0.104 0.000 1.217 1172 I HN 0.712 nan 8.210 nan 0.000 0.469 1173 A N 6.731 129.690 122.820 0.230 0.000 2.981 1173 A HA 0.190 4.512 4.320 0.004 0.000 0.280 1173 A C 0.654 178.246 177.584 0.013 0.000 1.797 1173 A CA -0.043 52.104 52.037 0.183 0.000 1.456 1173 A CB -0.598 18.617 19.000 0.359 0.000 1.057 1173 A HN 0.636 nan 8.150 nan 0.000 0.602 1174 K N 2.350 122.675 120.400 -0.125 0.000 3.226 1174 K HA 0.189 4.511 4.320 0.004 0.000 0.268 1174 K C -0.307 176.193 176.600 -0.167 0.000 1.217 1174 K CA -0.159 56.093 56.287 -0.059 0.000 1.242 1174 K CB -0.108 32.369 32.500 -0.038 0.000 1.389 1174 K HN 0.660 nan 8.250 nan 0.000 0.406 1175 L N 1.789 122.911 121.223 -0.168 0.000 2.601 1175 L HA -0.211 4.131 4.340 0.004 0.000 0.277 1175 L C 0.880 177.606 176.870 -0.240 0.000 1.219 1175 L CA 0.739 55.473 54.840 -0.176 0.000 0.915 1175 L CB -0.009 42.039 42.059 -0.017 0.000 1.160 1175 L HN 0.638 nan 8.230 nan 0.000 0.494 1176 N N 0.122 118.669 118.700 -0.256 0.000 2.441 1176 N HA -0.177 4.566 4.740 0.004 0.000 0.209 1176 N C 0.255 175.598 175.510 -0.279 0.000 1.661 1176 N CA 0.487 53.318 53.050 -0.364 0.000 3.327 1176 N CB -0.514 37.476 38.487 -0.828 0.000 1.494 1176 N HN 0.643 nan 8.380 nan 0.000 1.121 1177 H N 2.390 121.398 119.070 -0.103 0.000 2.794 1177 H HA 0.309 4.868 4.556 0.004 0.000 0.256 1177 H C 0.023 175.251 175.328 -0.167 0.000 1.637 1177 H CA -0.155 55.830 56.048 -0.105 0.000 1.222 1177 H CB -1.442 28.262 29.762 -0.098 0.000 1.545 1177 H HN 0.312 nan 8.280 nan 0.000 0.518 1178 N N 2.123 120.764 118.700 -0.098 0.000 2.799 1178 N HA -0.216 4.526 4.740 0.004 0.000 0.272 1178 N C -0.321 175.015 175.510 -0.289 0.000 0.992 1178 N CA 0.924 53.871 53.050 -0.170 0.000 0.878 1178 N CB -0.161 38.306 38.487 -0.032 0.000 0.934 1178 N HN 0.654 nan 8.380 nan 0.000 0.591 1179 Q N -0.908 118.620 119.800 -0.454 0.000 2.312 1179 Q HA 0.337 4.679 4.340 0.004 0.000 0.263 1179 Q C 0.207 175.761 176.000 -0.742 0.000 0.995 1179 Q CA -0.496 55.065 55.803 -0.404 0.000 0.853 1179 Q CB 1.098 29.738 28.738 -0.165 0.000 1.300 1179 Q HN 0.217 nan 8.270 nan 0.000 0.448 1180 F N 0.227 120.154 119.950 -0.037 0.000 2.549 1180 F HA 0.073 4.602 4.527 0.004 0.000 0.275 1180 F C 0.140 175.920 175.800 -0.033 0.000 0.990 1180 F CA -0.393 57.571 58.000 -0.061 0.000 1.274 1180 F CB 0.706 39.641 39.000 -0.107 0.000 1.064 1180 F HN 0.545 nan 8.300 nan 0.000 0.715 1181 E N 0.134 120.424 120.200 0.149 0.000 6.090 1181 E HA -0.363 3.989 4.350 0.004 0.000 0.423 1181 E C -0.398 176.257 176.600 0.092 0.000 0.706 1181 E CA 0.604 57.058 56.400 0.090 0.000 1.306 1181 E CB -0.710 29.020 29.700 0.051 0.000 0.767 1181 E HN 0.384 nan 8.360 nan 0.000 0.371 1182 C N 3.332 122.671 119.300 0.065 0.000 3.074 1182 C HA 0.194 4.657 4.460 0.004 0.000 0.224 1182 C C -0.416 174.601 174.990 0.044 0.000 1.988 1182 C CA -0.236 58.817 59.018 0.059 0.000 1.470 1182 C CB -1.226 26.544 27.740 0.050 0.000 2.762 1182 C HN 0.770 nan 8.230 nan 0.000 0.502 1183 K N 1.082 121.506 120.400 0.040 0.000 2.463 1183 K HA 0.179 4.501 4.320 0.004 0.000 0.248 1183 K C 1.191 177.808 176.600 0.027 0.000 1.085 1183 K CA 1.778 58.084 56.287 0.031 0.000 1.110 1183 K CB -0.985 31.533 32.500 0.029 0.000 0.702 1183 K HN 1.818 nan 8.250 nan 0.000 0.420 1184 G N 1.394 110.208 108.800 0.022 0.000 3.181 1184 G HA2 -0.495 3.468 3.960 0.004 0.000 0.322 1184 G HA3 -0.495 3.468 3.960 0.004 0.000 0.322 1184 G C 1.582 176.494 174.900 0.020 0.000 1.246 1184 G CA 1.020 46.132 45.100 0.020 0.000 0.989 1184 G HN 1.234 nan 8.290 nan 0.000 0.607 1185 c N 1.024 119.637 118.600 0.022 0.000 2.400 1185 c HA -0.114 4.458 4.570 0.004 0.000 0.278 1185 c C 1.747 175.849 174.090 0.020 0.000 1.183 1185 c CA 2.279 58.621 56.329 0.021 0.000 1.837 1185 c CB -1.554 40.969 42.510 0.023 0.000 2.129 1185 c HN 0.834 nan 8.230 nan 0.000 0.485 1186 D N -0.773 119.640 120.400 0.022 0.000 3.039 1186 D HA -0.176 4.467 4.640 0.004 0.000 0.222 1186 D C 0.041 176.354 176.300 0.021 0.000 1.179 1186 D CA 0.802 54.815 54.000 0.021 0.000 0.880 1186 D CB -1.822 38.988 40.800 0.016 0.000 1.115 1186 D HN 0.762 nan 8.370 nan 0.000 0.416 1187 N N 0.591 119.305 118.700 0.023 0.000 2.470 1187 N HA 0.055 4.797 4.740 0.004 0.000 0.268 1187 N C 0.878 176.405 175.510 0.029 0.000 1.136 1187 N CA 0.384 53.445 53.050 0.019 0.000 0.961 1187 N CB 0.667 39.162 38.487 0.012 0.000 1.067 1187 N HN 0.173 nan 8.380 nan 0.000 0.468 1188 K N 2.929 123.343 120.400 0.024 0.000 2.464 1188 K HA 0.181 4.503 4.320 0.004 0.000 0.206 1188 K C 0.759 177.373 176.600 0.023 0.000 1.186 1188 K CA 0.280 56.593 56.287 0.043 0.000 0.990 1188 K CB 0.707 33.229 32.500 0.038 0.000 1.003 1188 K HN 0.499 nan 8.250 nan 0.000 0.562 1189 I N -0.133 120.429 120.570 -0.014 0.000 4.323 1189 I HA 0.084 4.256 4.170 0.004 0.000 0.328 1189 I C -0.006 176.049 176.117 -0.103 0.000 1.310 1189 I CA 0.109 61.378 61.300 -0.051 0.000 1.186 1189 I CB 0.603 38.582 38.000 -0.036 0.000 1.130 1189 I HN -0.136 nan 8.210 nan 0.000 0.411 1190 D N 2.882 123.235 120.400 -0.078 0.000 2.485 1190 D HA 0.534 5.177 4.640 0.004 0.000 0.221 1190 D C -0.475 175.761 176.300 -0.106 0.000 1.112 1190 D CA 0.270 54.226 54.000 -0.073 0.000 0.911 1190 D CB 1.197 41.998 40.800 0.002 0.000 1.019 1190 D HN 0.122 nan 8.370 nan 0.000 0.516 1191 I N 1.549 121.911 120.570 -0.346 0.000 3.095 1191 I HA 0.353 4.526 4.170 0.004 0.000 0.310 1191 I C -1.494 174.166 176.117 -0.761 0.000 1.196 1191 I CA -0.880 60.193 61.300 -0.378 0.000 0.985 1191 I CB 2.517 40.253 38.000 -0.440 0.000 1.250 1191 I HN 0.074 nan 8.210 nan 0.000 0.446 1192 Y N 2.496 122.669 120.300 -0.212 0.000 2.396 1192 Y HA 0.356 4.909 4.550 0.004 0.000 0.332 1192 Y C -0.381 175.479 175.900 -0.067 0.000 1.034 1192 Y CA -0.589 57.420 58.100 -0.152 0.000 1.057 1192 Y CB 1.803 40.199 38.460 -0.108 0.000 1.220 1192 Y HN 0.369 nan 8.280 nan 0.000 0.440 1193 Q N 5.302 125.129 119.800 0.046 0.000 2.274 1193 Q HA 0.603 4.946 4.340 0.004 0.000 0.256 1193 Q C -0.692 175.338 176.000 0.050 0.000 0.927 1193 Q CA -0.481 55.388 55.803 0.111 0.000 0.939 1193 Q CB 0.876 29.653 28.738 0.065 0.000 1.201 1193 Q HN 0.754 nan 8.270 nan 0.000 0.426 1194 I N -0.152 120.402 120.570 -0.027 0.000 3.516 1194 I HA 0.562 4.734 4.170 0.004 0.000 0.302 1194 I C -1.390 174.664 176.117 -0.106 0.000 1.143 1194 I CA -0.832 60.467 61.300 -0.002 0.000 1.003 1194 I CB 2.220 40.245 38.000 0.043 0.000 1.347 1194 I HN 0.653 nan 8.210 nan 0.000 0.486 1195 H N 3.291 122.361 119.070 0.000 0.000 3.013 1195 H HA 0.688 5.246 4.556 0.004 0.000 0.326 1195 H C -0.960 174.374 175.328 0.011 0.000 0.973 1195 H CA -0.311 55.730 56.048 -0.012 0.000 1.369 1195 H CB 1.749 31.513 29.762 0.003 0.000 1.598 1195 H HN 0.654 nan 8.280 nan 0.000 0.518 1196 I N 0.827 121.510 120.570 0.189 0.000 3.195 1196 I HA 0.551 4.724 4.170 0.004 0.000 0.313 1196 I C -3.135 173.083 176.117 0.168 0.000 1.237 1196 I CA -2.956 58.429 61.300 0.142 0.000 0.963 1196 I CB 1.679 39.730 38.000 0.084 0.000 1.278 1196 I HN 0.175 nan 8.210 nan 0.000 0.460 1197 P HA 0.058 nan 4.420 nan 0.000 0.263 1197 P C 0.173 177.565 177.300 0.153 0.000 1.195 1197 P CA 0.418 63.584 63.100 0.110 0.000 0.762 1197 P CB 0.108 31.826 31.700 0.029 0.000 0.799 1198 Y N 5.291 125.667 120.300 0.127 0.000 2.256 1198 Y HA -0.273 4.279 4.550 0.005 0.000 0.288 1198 Y C 2.160 178.079 175.900 0.030 0.000 1.155 1198 Y CA 2.079 60.259 58.100 0.133 0.000 1.203 1198 Y CB -0.663 37.781 38.460 -0.025 0.000 0.980 1198 Y HN 0.436 nan 8.280 nan 0.000 0.530 1199 A N 0.654 123.499 122.820 0.042 0.000 1.986 1199 A HA -0.201 4.121 4.320 0.004 0.000 0.220 1199 A C 2.441 179.892 177.584 -0.223 0.000 1.171 1199 A CA 1.932 53.926 52.037 -0.071 0.000 0.640 1199 A CB -1.521 17.471 19.000 -0.013 0.000 0.811 1199 A HN 0.651 nan 8.150 nan 0.000 0.451 1200 A N 0.302 122.985 122.820 -0.228 0.000 1.842 1200 A HA -0.242 4.081 4.320 0.004 0.000 0.217 1200 A C 2.172 179.425 177.584 -0.552 0.000 1.206 1200 A CA 2.297 54.074 52.037 -0.433 0.000 0.630 1200 A CB -0.704 18.112 19.000 -0.306 0.000 0.839 1200 A HN 0.480 nan 8.150 nan 0.000 0.447 1201 K N -0.279 119.938 120.400 -0.306 0.000 2.127 1201 K HA -0.221 4.101 4.320 0.004 0.000 0.212 1201 K C 1.901 178.382 176.600 -0.198 0.000 1.050 1201 K CA 1.911 58.113 56.287 -0.142 0.000 0.929 1201 K CB -0.623 31.817 32.500 -0.100 0.000 0.715 1201 K HN 0.429 nan 8.250 nan 0.000 0.457 1202 L N 0.994 121.979 121.223 -0.397 0.000 1.915 1202 L HA -0.259 4.083 4.340 0.004 0.000 0.225 1202 L C 2.677 179.469 176.870 -0.130 0.000 1.084 1202 L CA 1.995 56.666 54.840 -0.282 0.000 0.788 1202 L CB -1.228 40.668 42.059 -0.272 0.000 0.892 1202 L HN 0.408 nan 8.230 nan 0.000 0.434 1203 L N 0.224 121.352 121.223 -0.158 0.000 2.113 1203 L HA -0.361 3.981 4.340 0.004 0.000 0.237 1203 L C 2.389 179.300 176.870 0.067 0.000 1.113 1203 L CA 2.345 57.132 54.840 -0.088 0.000 0.837 1203 L CB -1.619 40.321 42.059 -0.198 0.000 0.929 1203 L HN 0.331 nan 8.230 nan 0.000 0.449 1204 F N -0.594 119.337 119.950 -0.031 0.000 2.063 1204 F HA -0.363 4.167 4.527 0.004 0.000 0.298 1204 F C 2.677 178.470 175.800 -0.012 0.000 1.109 1204 F CA 1.527 59.517 58.000 -0.016 0.000 1.212 1204 F CB -0.408 38.585 39.000 -0.011 0.000 0.973 1204 F HN 0.350 nan 8.300 nan 0.000 0.480 1205 Q N 0.141 120.045 119.800 0.174 0.000 2.050 1205 Q HA -0.235 4.107 4.340 0.004 0.000 0.202 1205 Q C 1.979 178.023 176.000 0.074 0.000 0.980 1205 Q CA 1.669 57.531 55.803 0.098 0.000 0.840 1205 Q CB -0.319 28.453 28.738 0.057 0.000 0.898 1205 Q HN 0.471 nan 8.270 nan 0.000 0.424 1206 E N 0.731 120.965 120.200 0.056 0.000 2.048 1206 E HA -0.227 4.126 4.350 0.004 0.000 0.202 1206 E C 2.012 178.647 176.600 0.058 0.000 1.021 1206 E CA 1.248 57.675 56.400 0.045 0.000 0.825 1206 E CB -0.161 29.557 29.700 0.029 0.000 0.756 1206 E HN 0.235 nan 8.360 nan 0.000 0.454 1207 L N -0.132 121.142 121.223 0.086 0.000 1.976 1207 L HA -0.335 4.008 4.340 0.004 0.000 0.223 1207 L C 2.675 179.580 176.870 0.058 0.000 1.081 1207 L CA 1.721 56.612 54.840 0.085 0.000 0.784 1207 L CB -0.472 41.670 42.059 0.138 0.000 0.896 1207 L HN 0.359 nan 8.230 nan 0.000 0.438 1208 M N -0.732 118.905 119.600 0.062 0.000 2.089 1208 M HA -0.250 4.233 4.480 0.004 0.000 0.257 1208 M C 2.022 178.343 176.300 0.035 0.000 1.071 1208 M CA 2.219 57.542 55.300 0.039 0.000 1.096 1208 M CB -0.434 32.193 32.600 0.044 0.000 1.330 1208 M HN 0.348 nan 8.290 nan 0.000 0.403 1209 A N -1.135 121.710 122.820 0.041 0.000 2.264 1209 A HA -0.047 4.275 4.320 0.004 0.000 0.207 1209 A C 1.605 179.207 177.584 0.029 0.000 1.196 1209 A CA 0.851 52.908 52.037 0.034 0.000 0.778 1209 A CB -0.702 18.320 19.000 0.036 0.000 0.779 1209 A HN 0.609 nan 8.150 nan 0.000 0.483 1210 M N -0.723 118.894 119.600 0.029 0.000 2.747 1210 M HA 0.220 4.703 4.480 0.004 0.000 0.402 1210 M C 0.260 176.572 176.300 0.020 0.000 1.238 1210 M CA -0.070 55.245 55.300 0.024 0.000 0.877 1210 M CB 0.129 32.745 32.600 0.027 0.000 1.424 1210 M HN 0.480 nan 8.290 nan 0.000 0.511 1211 N N 1.235 119.946 118.700 0.019 0.000 2.741 1211 N HA -0.162 4.581 4.740 0.004 0.000 0.250 1211 N C -1.100 174.415 175.510 0.010 0.000 1.115 1211 N CA 0.787 53.845 53.050 0.014 0.000 0.724 1211 N CB -0.625 37.869 38.487 0.011 0.000 1.090 1211 N HN 0.480 nan 8.380 nan 0.000 0.558 1212 I N 0.569 121.146 120.570 0.011 0.000 2.646 1212 I HA 0.244 4.417 4.170 0.004 0.000 0.299 1212 I C 0.743 176.854 176.117 -0.011 0.000 1.036 1212 I CA -0.714 60.587 61.300 0.001 0.000 1.074 1212 I CB 2.006 40.010 38.000 0.007 0.000 1.258 1212 I HN 0.024 nan 8.210 nan 0.000 0.430 1213 T N 1.851 116.387 114.554 -0.029 0.000 2.799 1213 T HA 0.636 4.988 4.350 0.004 0.000 0.286 1213 T C -2.641 171.995 174.700 -0.106 0.000 0.973 1213 T CA -1.557 60.510 62.100 -0.055 0.000 1.035 1213 T CB 1.334 70.176 68.868 -0.042 0.000 0.932 1213 T HN 0.317 nan 8.240 nan 0.000 0.469 1214 P HA 0.405 nan 4.420 nan 0.000 0.186 1214 P C -0.476 176.609 177.300 -0.359 0.000 1.881 1214 P CA -0.683 62.187 63.100 -0.384 0.000 1.276 1214 P CB 0.503 31.788 31.700 -0.692 0.000 1.649 1215 R N 2.342 122.729 120.500 -0.187 0.000 2.370 1215 R HA 0.276 4.619 4.340 0.004 0.000 0.309 1215 R C -0.071 176.245 176.300 0.026 0.000 1.059 1215 R CA -0.208 55.870 56.100 -0.037 0.000 0.981 1215 R CB 0.673 30.980 30.300 0.010 0.000 0.972 1215 R HN 0.416 nan 8.270 nan 0.000 0.437 1216 L N 5.154 126.432 121.223 0.092 0.000 2.262 1216 L HA 0.339 4.681 4.340 0.004 0.000 0.288 1216 L C -0.742 176.236 176.870 0.180 0.000 1.035 1216 L CA -0.653 54.243 54.840 0.094 0.000 0.820 1216 L CB 0.255 42.303 42.059 -0.019 0.000 1.204 1216 L HN 0.396 nan 8.230 nan 0.000 0.424 1217 Y N 1.098 121.319 120.300 -0.131 0.000 2.360 1217 Y HA 0.260 4.812 4.550 0.004 0.000 0.337 1217 Y C 1.471 177.269 175.900 -0.169 0.000 1.039 1217 Y CA -1.044 56.962 58.100 -0.156 0.000 1.109 1217 Y CB 1.926 40.318 38.460 -0.112 0.000 1.201 1217 Y HN 0.494 nan 8.280 nan 0.000 0.458 1218 T N -0.551 113.884 114.554 -0.199 0.000 2.978 1218 T HA 0.002 4.354 4.350 0.004 0.000 0.262 1218 T C -0.316 174.312 174.700 -0.120 0.000 1.063 1218 T CA 0.613 62.551 62.100 -0.268 0.000 1.140 1218 T CB -0.257 68.186 68.868 -0.707 0.000 0.886 1218 T HN 0.549 nan 8.240 nan 0.000 0.470 1219 D N 0.905 121.268 120.400 -0.061 0.000 2.168 1219 D HA 0.390 5.032 4.640 0.004 0.000 0.246 1219 D C 0.832 177.142 176.300 0.017 0.000 1.050 1219 D CA -0.878 53.115 54.000 -0.012 0.000 0.857 1219 D CB 1.081 41.881 40.800 0.000 0.000 1.169 1219 D HN -0.263 nan 8.370 nan 0.000 0.453 1220 R N 0.950 121.461 120.500 0.017 0.000 2.228 1220 R HA -0.124 4.219 4.340 0.004 0.000 0.259 1220 R C 0.062 176.378 176.300 0.027 0.000 1.183 1220 R CA 0.753 56.866 56.100 0.022 0.000 1.002 1220 R CB -0.688 29.624 30.300 0.020 0.000 0.879 1220 R HN 0.472 nan 8.270 nan 0.000 0.467 1221 S N 1.646 117.366 115.700 0.034 0.000 2.546 1221 S HA 0.043 4.515 4.470 0.004 0.000 0.290 1221 S C 0.489 175.123 174.600 0.056 0.000 1.262 1221 S CA -0.012 58.215 58.200 0.045 0.000 1.083 1221 S CB 0.975 64.203 63.200 0.046 0.000 0.859 1221 S HN 0.132 nan 8.310 nan 0.000 0.495 1222 R N 1.953 122.480 120.500 0.044 0.000 2.254 1222 R HA 0.102 4.444 4.340 0.004 0.000 0.318 1222 R C 0.289 176.632 176.300 0.073 0.000 1.031 1222 R CA -0.384 55.735 56.100 0.033 0.000 0.905 1222 R CB 0.595 30.897 30.300 0.003 0.000 1.050 1222 R HN 0.645 nan 8.270 nan 0.000 0.456 1223 D N 2.860 123.309 120.400 0.082 0.000 2.218 1223 D HA -0.254 4.388 4.640 0.004 0.000 0.194 1223 D C 0.773 177.165 176.300 0.153 0.000 1.007 1223 D CA 1.259 55.320 54.000 0.102 0.000 0.879 1223 D CB -0.148 40.706 40.800 0.091 0.000 0.918 1223 D HN 0.492 nan 8.370 nan 0.000 0.449 1224 F N 0.000 119.953 119.950 0.005 0.000 2.286 1224 F HA 0.000 4.529 4.527 0.004 0.000 0.279 1224 F CA 0.000 58.002 58.000 0.003 0.000 1.383 1224 F CB 0.000 39.000 39.000 -0.000 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574