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 2b63_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 TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGIcGLM DATA SEQUENCE TVIAKLNHNQ FECKGcDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.275 176.300 -0.041 0.000 2.045 20 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 20 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 21 E N -0.062 120.102 120.200 -0.059 0.000 2.431 21 E HA 0.046 4.397 4.350 0.001 0.000 0.208 21 E C -0.468 176.069 176.600 -0.106 0.000 1.299 21 E CA 0.243 56.587 56.400 -0.095 0.000 1.080 21 E CB -0.160 29.469 29.700 -0.118 0.000 1.114 21 E HN 0.031 nan 8.360 nan 0.000 0.489 22 S N -0.233 115.427 115.700 -0.065 0.000 2.465 22 S HA 0.519 4.989 4.470 0.001 0.000 0.186 22 S C -1.083 173.498 174.600 -0.030 0.000 0.839 22 S CA -0.225 57.946 58.200 -0.049 0.000 1.037 22 S CB 1.162 64.336 63.200 -0.044 0.000 1.407 22 S HN 0.555 nan 8.310 nan 0.000 0.396 23 A N 3.541 126.347 122.820 -0.024 0.000 2.557 23 A HA 1.006 5.326 4.320 0.001 0.000 0.292 23 A C -3.122 174.451 177.584 -0.019 0.000 1.139 23 A CA -1.474 50.553 52.037 -0.017 0.000 0.665 23 A CB 0.709 19.702 19.000 -0.011 0.000 1.285 23 A HN 0.372 nan 8.150 nan 0.000 0.433 24 P HA 0.463 nan 4.420 nan 0.000 0.272 24 P C -0.799 176.490 177.300 -0.019 0.000 1.254 24 P CA 0.191 63.278 63.100 -0.022 0.000 0.795 24 P CB 0.456 32.151 31.700 -0.008 0.000 1.022 25 I N -0.669 119.884 120.570 -0.029 0.000 2.646 25 I HA 0.393 4.564 4.170 0.001 0.000 0.299 25 I C 0.879 177.004 176.117 0.014 0.000 1.036 25 I CA -0.616 60.677 61.300 -0.011 0.000 1.074 25 I CB 2.221 40.188 38.000 -0.055 0.000 1.258 25 I HN 0.381 nan 8.210 nan 0.000 0.430 26 T N 0.438 115.019 114.554 0.044 0.000 2.762 26 T HA 0.666 5.017 4.350 0.001 0.000 0.272 26 T C 0.899 175.650 174.700 0.086 0.000 0.982 26 T CA -0.152 61.983 62.100 0.058 0.000 1.013 26 T CB 1.318 70.221 68.868 0.060 0.000 1.309 26 T HN 0.578 nan 8.240 nan 0.000 0.572 27 A N 0.640 123.519 122.820 0.097 0.000 1.873 27 A HA -0.115 4.205 4.320 0.001 0.000 0.211 27 A C 2.058 179.722 177.584 0.133 0.000 1.218 27 A CA 2.233 54.343 52.037 0.122 0.000 0.659 27 A CB -1.759 17.333 19.000 0.154 0.000 0.853 27 A HN 1.030 nan 8.150 nan 0.000 0.466 28 E N 0.022 120.338 120.200 0.193 0.000 2.355 28 E HA -0.259 4.091 4.350 0.001 0.000 0.209 28 E C 1.446 178.199 176.600 0.255 0.000 1.050 28 E CA 1.779 58.346 56.400 0.277 0.000 0.843 28 E CB -0.306 29.520 29.700 0.209 0.000 0.742 28 E HN 0.602 nan 8.360 nan 0.000 0.489 29 D N -1.018 119.484 120.400 0.170 0.000 2.084 29 D HA -0.128 4.513 4.640 0.001 0.000 0.196 29 D C 1.960 178.363 176.300 0.173 0.000 0.985 29 D CA 1.645 55.744 54.000 0.165 0.000 0.826 29 D CB -0.285 40.592 40.800 0.128 0.000 0.978 29 D HN 0.284 nan 8.370 nan 0.000 0.456 30 S N 0.776 116.536 115.700 0.100 0.000 2.390 30 S HA -0.272 4.198 4.470 0.001 0.000 0.234 30 S C 1.916 176.494 174.600 -0.037 0.000 1.063 30 S CA 1.454 59.664 58.200 0.016 0.000 1.108 30 S CB -1.440 61.636 63.200 -0.208 0.000 0.975 30 S HN 0.446 nan 8.310 nan 0.000 0.442 31 W N 2.233 123.578 121.300 0.076 0.000 2.290 31 W HA -0.224 4.436 4.660 0.001 0.000 0.323 31 W C 3.071 179.677 176.519 0.146 0.000 1.260 31 W CA 1.103 58.504 57.345 0.092 0.000 1.266 31 W CB -0.916 28.604 29.460 0.101 0.000 1.149 31 W HN 0.447 nan 8.180 nan 0.000 0.482 32 A N 0.194 123.243 122.820 0.381 0.000 1.940 32 A HA -0.292 4.028 4.320 0.001 0.000 0.221 32 A C 1.946 179.689 177.584 0.266 0.000 1.190 32 A CA 2.906 55.124 52.037 0.302 0.000 0.647 32 A CB -1.330 17.819 19.000 0.249 0.000 0.821 32 A HN 0.156 nan 8.150 nan 0.000 0.457 33 V N 0.130 120.190 119.914 0.243 0.000 2.220 33 V HA -0.333 3.787 4.120 0.001 0.000 0.246 33 V C 2.408 178.606 176.094 0.172 0.000 1.049 33 V CA 2.212 64.665 62.300 0.255 0.000 1.003 33 V CB -0.871 31.111 31.823 0.266 0.000 0.634 33 V HN 0.606 nan 8.190 nan 0.000 0.444 34 I N 0.148 120.737 120.570 0.032 0.000 2.113 34 I HA -0.336 3.834 4.170 0.001 0.000 0.242 34 I C 2.697 178.679 176.117 -0.226 0.000 1.064 34 I CA 2.059 63.236 61.300 -0.204 0.000 1.320 34 I CB -0.545 37.377 38.000 -0.131 0.000 1.028 34 I HN 0.299 nan 8.210 nan 0.000 0.406 35 S N 0.504 116.285 115.700 0.136 0.000 2.372 35 S HA -0.308 4.162 4.470 0.001 0.000 0.227 35 S C 2.193 176.910 174.600 0.195 0.000 1.044 35 S CA 1.680 60.096 58.200 0.361 0.000 1.050 35 S CB -0.528 62.949 63.200 0.462 0.000 0.901 35 S HN 0.610 nan 8.310 nan 0.000 0.447 36 A N 0.776 123.706 122.820 0.183 0.000 1.978 36 A HA -0.119 4.201 4.320 0.001 0.000 0.220 36 A C 1.874 179.533 177.584 0.125 0.000 1.170 36 A CA 1.525 53.685 52.037 0.205 0.000 0.636 36 A CB -0.774 18.399 19.000 0.288 0.000 0.810 36 A HN 0.489 nan 8.150 nan 0.000 0.448 37 F N 0.091 119.818 119.950 -0.372 0.000 2.051 37 F HA -0.098 4.429 4.527 0.001 0.000 0.296 37 F C 1.790 177.246 175.800 -0.573 0.000 1.122 37 F CA 0.966 58.414 58.000 -0.921 0.000 1.201 37 F CB -1.028 37.130 39.000 -1.404 0.000 0.978 37 F HN 0.268 nan 8.300 nan 0.000 0.472 38 F N 0.239 119.994 119.950 -0.326 0.000 2.722 38 F HA -0.050 4.477 4.527 0.001 0.000 0.298 38 F C 2.221 177.947 175.800 -0.123 0.000 1.175 38 F CA 0.130 57.931 58.000 -0.332 0.000 1.462 38 F CB -0.316 38.564 39.000 -0.201 0.000 1.111 38 F HN -0.040 nan 8.300 nan 0.000 0.592 39 R N 0.297 120.847 120.500 0.084 0.000 2.052 39 R HA -0.095 4.246 4.340 0.001 0.000 0.224 39 R C 2.119 178.457 176.300 0.063 0.000 1.149 39 R CA 1.207 57.369 56.100 0.103 0.000 0.962 39 R CB -0.413 29.965 30.300 0.130 0.000 0.856 39 R HN 0.275 nan 8.270 nan 0.000 0.433 40 E N 0.837 121.072 120.200 0.058 0.000 2.158 40 E HA -0.120 4.230 4.350 0.001 0.000 0.191 40 E C 1.373 177.984 176.600 0.017 0.000 0.982 40 E CA 0.861 57.304 56.400 0.073 0.000 0.823 40 E CB 0.376 30.170 29.700 0.157 0.000 0.766 40 E HN 0.101 nan 8.360 nan 0.000 0.468 41 K N -0.013 120.333 120.400 -0.090 0.000 2.017 41 K HA 0.146 4.467 4.320 0.001 0.000 0.207 41 K C 1.060 177.590 176.600 -0.116 0.000 1.035 41 K CA 1.033 57.219 56.287 -0.168 0.000 0.947 41 K CB -0.452 31.733 32.500 -0.525 0.000 0.749 41 K HN 0.236 nan 8.250 nan 0.000 0.443 42 G N 0.603 109.339 108.800 -0.107 0.000 2.699 42 G HA2 -0.193 3.767 3.960 0.001 0.000 0.686 42 G HA3 -0.193 3.767 3.960 0.001 0.000 0.686 42 G C 0.252 175.087 174.900 -0.108 0.000 1.301 42 G CA -0.412 44.653 45.100 -0.058 0.000 0.816 42 G HN 0.164 nan 8.290 nan 0.000 0.595 43 L N 0.474 121.626 121.223 -0.117 0.000 2.610 43 L HA 0.071 4.412 4.340 0.001 0.000 0.232 43 L C 2.423 179.236 176.870 -0.095 0.000 1.149 43 L CA 1.093 55.846 54.840 -0.146 0.000 0.872 43 L CB -0.440 41.519 42.059 -0.168 0.000 0.992 43 L HN 0.642 nan 8.230 nan 0.000 0.447 44 V N -5.337 114.538 119.914 -0.065 0.000 3.523 44 V HA 0.025 4.145 4.120 0.001 0.000 0.255 44 V C 2.274 178.346 176.094 -0.036 0.000 1.226 44 V CA 0.497 62.772 62.300 -0.042 0.000 1.092 44 V CB 0.070 31.884 31.823 -0.015 0.000 0.817 44 V HN 0.454 nan 8.190 nan 0.000 0.458 45 S N 3.248 118.920 115.700 -0.047 0.000 2.206 45 S HA -0.584 3.886 4.470 0.001 0.000 0.454 45 S C 1.943 176.536 174.600 -0.012 0.000 1.033 45 S CA 3.300 61.480 58.200 -0.034 0.000 2.646 45 S CB -1.679 61.482 63.200 -0.065 0.000 1.946 45 S HN 0.870 nan 8.310 nan 0.000 0.522 46 Q N 0.632 120.416 119.800 -0.027 0.000 2.028 46 Q HA -0.333 4.008 4.340 0.001 0.000 0.215 46 Q C 2.254 178.268 176.000 0.023 0.000 1.041 46 Q CA 1.944 57.740 55.803 -0.012 0.000 0.897 46 Q CB -0.867 27.850 28.738 -0.034 0.000 1.017 46 Q HN 0.665 nan 8.270 nan 0.000 0.418 47 Q N 0.492 120.304 119.800 0.019 0.000 2.217 47 Q HA -0.140 4.201 4.340 0.001 0.000 0.209 47 Q C 2.149 178.195 176.000 0.077 0.000 0.988 47 Q CA 1.507 57.337 55.803 0.045 0.000 0.878 47 Q CB -0.295 28.458 28.738 0.025 0.000 0.909 47 Q HN 0.527 nan 8.270 nan 0.000 0.424 48 L N 0.220 121.479 121.223 0.059 0.000 2.042 48 L HA -0.131 4.210 4.340 0.001 0.000 0.204 48 L C 1.979 178.913 176.870 0.107 0.000 1.130 48 L CA 0.759 55.651 54.840 0.086 0.000 0.779 48 L CB -0.780 41.304 42.059 0.042 0.000 0.918 48 L HN 0.057 nan 8.230 nan 0.000 0.450 49 D N -0.019 120.417 120.400 0.059 0.000 2.339 49 D HA -0.300 4.341 4.640 0.001 0.000 0.189 49 D C 2.214 178.544 176.300 0.050 0.000 1.022 49 D CA 2.135 56.160 54.000 0.041 0.000 0.884 49 D CB -0.355 40.471 40.800 0.043 0.000 0.916 49 D HN 0.262 nan 8.370 nan 0.000 0.453 50 S N -0.717 115.036 115.700 0.088 0.000 2.368 50 S HA -0.170 4.301 4.470 0.001 0.000 0.225 50 S C 1.783 176.495 174.600 0.187 0.000 1.030 50 S CA 0.688 58.956 58.200 0.114 0.000 0.999 50 S CB -0.413 62.857 63.200 0.116 0.000 0.844 50 S HN 0.232 nan 8.310 nan 0.000 0.459 51 F N 3.145 123.134 119.950 0.064 0.000 2.216 51 F HA -0.014 4.514 4.527 0.001 0.000 0.300 51 F C 1.963 177.824 175.800 0.102 0.000 1.085 51 F CA 1.364 59.425 58.000 0.101 0.000 1.326 51 F CB -0.785 38.240 39.000 0.041 0.000 1.027 51 F HN 0.247 nan 8.300 nan 0.000 0.497 52 N N 0.517 119.160 118.700 -0.095 0.000 2.028 52 N HA -0.234 4.506 4.740 0.001 0.000 0.194 52 N C 1.886 177.246 175.510 -0.251 0.000 1.050 52 N CA 1.562 54.468 53.050 -0.240 0.000 0.848 52 N CB -1.052 37.353 38.487 -0.137 0.000 1.038 52 N HN 0.289 nan 8.380 nan 0.000 0.423 53 Q N 0.379 120.067 119.800 -0.186 0.000 2.242 53 Q HA -0.176 4.164 4.340 0.001 0.000 0.211 53 Q C 1.812 177.718 176.000 -0.157 0.000 0.992 53 Q CA 1.421 57.078 55.803 -0.243 0.000 0.889 53 Q CB -0.536 28.130 28.738 -0.120 0.000 0.913 53 Q HN 0.451 nan 8.270 nan 0.000 0.422 54 F N -1.183 118.660 119.950 -0.179 0.000 2.128 54 F HA -0.081 4.446 4.527 0.001 0.000 0.295 54 F C 1.686 177.360 175.800 -0.209 0.000 1.100 54 F CA 1.225 59.145 58.000 -0.133 0.000 1.260 54 F CB -0.415 38.548 39.000 -0.062 0.000 1.009 54 F HN -0.038 nan 8.300 nan 0.000 0.476 55 V N 1.042 120.685 119.914 -0.452 0.000 2.216 55 V HA -0.302 3.818 4.120 0.001 0.000 0.243 55 V C 2.245 178.107 176.094 -0.388 0.000 1.044 55 V CA 2.301 64.286 62.300 -0.526 0.000 0.995 55 V CB -0.818 30.696 31.823 -0.515 0.000 0.633 55 V HN 0.274 nan 8.190 nan 0.000 0.446 56 D N -1.208 119.032 120.400 -0.266 0.000 2.103 56 D HA -0.172 4.468 4.640 0.001 0.000 0.190 56 D C 1.927 178.341 176.300 0.190 0.000 0.997 56 D CA 2.000 55.965 54.000 -0.058 0.000 0.833 56 D CB -0.195 40.571 40.800 -0.057 0.000 0.961 56 D HN 0.479 nan 8.370 nan 0.000 0.447 57 Y N 0.609 120.789 120.300 -0.200 0.000 2.414 57 Y HA 0.080 4.631 4.550 0.001 0.000 0.248 57 Y C 2.718 178.492 175.900 -0.210 0.000 1.054 57 Y CA 0.246 58.248 58.100 -0.163 0.000 1.156 57 Y CB -1.286 37.116 38.460 -0.096 0.000 1.051 57 Y HN -0.130 nan 8.280 nan 0.000 0.485 58 T N 2.249 116.819 114.554 0.026 0.000 2.840 58 T HA -0.306 4.045 4.350 0.001 0.000 0.255 58 T C 1.926 176.500 174.700 -0.210 0.000 1.037 58 T CA 2.207 64.270 62.100 -0.061 0.000 1.162 58 T CB -0.936 67.922 68.868 -0.016 0.000 0.833 58 T HN 0.203 nan 8.240 nan 0.000 0.486 59 L N 0.789 121.696 121.223 -0.528 0.000 2.129 59 L HA -0.122 4.218 4.340 0.001 0.000 0.212 59 L C 2.375 179.131 176.870 -0.190 0.000 1.087 59 L CA 1.901 56.395 54.840 -0.576 0.000 0.757 59 L CB -0.812 40.800 42.059 -0.746 0.000 0.896 59 L HN 0.249 nan 8.230 nan 0.000 0.434 60 Q N -0.181 119.534 119.800 -0.141 0.000 1.922 60 Q HA -0.168 4.173 4.340 0.001 0.000 0.201 60 Q C 1.754 177.730 176.000 -0.039 0.000 0.979 60 Q CA 2.122 57.876 55.803 -0.082 0.000 0.841 60 Q CB -0.400 28.287 28.738 -0.086 0.000 0.903 60 Q HN 0.547 nan 8.270 nan 0.000 0.431 61 D N 0.180 120.567 120.400 -0.022 0.000 2.220 61 D HA -0.213 4.428 4.640 0.001 0.000 0.198 61 D C 1.547 177.865 176.300 0.031 0.000 1.001 61 D CA 1.356 55.361 54.000 0.008 0.000 0.875 61 D CB -0.191 40.622 40.800 0.022 0.000 0.921 61 D HN 0.289 nan 8.370 nan 0.000 0.454 62 I N 0.363 120.961 120.570 0.046 0.000 2.315 62 I HA -0.147 4.023 4.170 0.001 0.000 0.248 62 I C 2.122 178.251 176.117 0.022 0.000 1.117 62 I CA 0.660 62.008 61.300 0.080 0.000 1.404 62 I CB -0.657 37.463 38.000 0.199 0.000 1.071 62 I HN 0.146 nan 8.210 nan 0.000 0.419 63 I N 0.464 120.981 120.570 -0.089 0.000 3.291 63 I HA -0.114 4.056 4.170 0.001 0.000 0.279 63 I C 0.112 176.260 176.117 0.051 0.000 1.294 63 I CA 0.614 61.772 61.300 -0.237 0.000 1.428 63 I CB -0.324 37.464 38.000 -0.353 0.000 1.070 63 I HN 0.185 nan 8.210 nan 0.000 0.478 64 C N 2.065 121.402 119.300 0.063 0.000 2.409 64 C HA 0.401 4.862 4.460 0.001 0.000 0.297 64 C C 0.949 175.979 174.990 0.065 0.000 1.083 64 C CA -0.505 58.562 59.018 0.081 0.000 1.515 64 C CB -0.421 27.350 27.740 0.051 0.000 1.869 64 C HN 0.610 nan 8.230 nan 0.000 0.413 65 E N 1.315 121.557 120.200 0.069 0.000 3.109 65 E HA -0.011 4.339 4.350 0.001 0.000 0.280 65 E C -0.104 176.503 176.600 0.011 0.000 1.141 65 E CA -0.197 56.220 56.400 0.029 0.000 1.937 65 E CB -0.479 29.230 29.700 0.015 0.000 2.201 65 E HN 0.383 nan 8.360 nan 0.000 1.007 66 D N 2.613 122.997 120.400 -0.026 0.000 2.538 66 D HA 0.064 4.704 4.640 0.001 0.000 0.234 66 D C 1.006 177.263 176.300 -0.072 0.000 1.191 66 D CA 0.605 54.565 54.000 -0.067 0.000 0.828 66 D CB 0.643 41.365 40.800 -0.130 0.000 0.981 66 D HN 0.262 nan 8.370 nan 0.000 0.490 67 S N 0.712 116.431 115.700 0.031 0.000 2.380 67 S HA -0.126 4.344 4.470 0.001 0.000 0.213 67 S C 1.135 175.893 174.600 0.262 0.000 1.037 67 S CA 0.525 58.812 58.200 0.144 0.000 1.034 67 S CB -1.463 61.908 63.200 0.286 0.000 1.022 67 S HN 0.294 nan 8.310 nan 0.000 0.418 68 T N 3.114 117.817 114.554 0.249 0.000 2.902 68 T HA 0.228 4.579 4.350 0.001 0.000 0.317 68 T C -0.005 174.780 174.700 0.142 0.000 1.064 68 T CA 0.554 62.763 62.100 0.181 0.000 1.130 68 T CB -0.247 68.683 68.868 0.104 0.000 1.073 68 T HN 0.319 nan 8.240 nan 0.000 0.524 69 L N 1.680 122.988 121.223 0.142 0.000 2.230 69 L HA 0.611 4.951 4.340 0.001 0.000 0.255 69 L C -0.085 176.885 176.870 0.167 0.000 1.039 69 L CA -1.424 53.526 54.840 0.183 0.000 0.846 69 L CB 1.284 43.510 42.059 0.279 0.000 1.419 69 L HN 0.423 nan 8.230 nan 0.000 0.435 91 S N 3.477 119.015 115.700 -0.270 0.000 2.540 91 S HA 0.813 5.284 4.470 0.001 0.000 0.275 91 S C -1.248 173.149 174.600 -0.339 0.000 1.123 91 S CA -0.758 57.330 58.200 -0.187 0.000 0.907 91 S CB 1.762 64.930 63.200 -0.053 0.000 1.081 91 S HN 0.366 nan 8.310 nan 0.000 0.476 92 F N 1.682 121.673 119.950 0.069 0.000 2.404 92 F HA 0.688 5.215 4.527 0.001 0.000 0.354 92 F C 1.224 177.054 175.800 0.050 0.000 1.122 92 F CA -0.189 57.856 58.000 0.075 0.000 1.080 92 F CB 1.675 40.745 39.000 0.117 0.000 1.131 92 F HN 0.959 nan 8.300 nan 0.000 0.471 93 G N 2.712 111.618 108.800 0.178 0.000 3.380 93 G HA2 0.178 4.138 3.960 0.001 0.000 0.188 93 G HA3 0.178 4.138 3.960 0.001 0.000 0.188 93 G C -0.397 174.554 174.900 0.085 0.000 1.892 93 G CA -0.407 44.757 45.100 0.105 0.000 0.912 93 G HN 0.451 nan 8.290 nan 0.000 0.609 94 K N -0.357 120.072 120.400 0.048 0.000 2.090 94 K HA 0.461 4.781 4.320 0.001 0.000 0.250 94 K C -1.149 175.456 176.600 0.009 0.000 1.004 94 K CA -0.519 55.746 56.287 -0.036 0.000 0.919 94 K CB 1.003 33.406 32.500 -0.161 0.000 1.045 94 K HN 0.199 nan 8.250 nan 0.000 0.471 95 I N 3.179 123.699 120.570 -0.084 0.000 2.533 95 I HA 0.297 4.468 4.170 0.001 0.000 0.290 95 I C -1.643 174.437 176.117 -0.061 0.000 1.056 95 I CA -0.759 60.561 61.300 0.033 0.000 1.057 95 I CB 1.152 39.159 38.000 0.012 0.000 1.240 95 I HN 0.614 nan 8.210 nan 0.000 0.423 96 Y N 5.523 125.862 120.300 0.066 0.000 2.457 96 Y HA 0.557 5.108 4.550 0.001 0.000 0.333 96 Y C 0.135 176.005 175.900 -0.050 0.000 1.119 96 Y CA -0.932 57.182 58.100 0.024 0.000 1.143 96 Y CB 1.758 40.270 38.460 0.087 0.000 1.230 96 Y HN 0.188 nan 8.280 nan 0.000 0.469 97 V N 2.439 122.388 119.914 0.059 0.000 2.326 97 V HA 0.315 4.435 4.120 0.001 0.000 0.281 97 V C 0.058 176.093 176.094 -0.099 0.000 1.015 97 V CA -0.931 61.333 62.300 -0.060 0.000 0.823 97 V CB 0.808 32.570 31.823 -0.102 0.000 1.009 97 V HN 0.945 nan 8.190 nan 0.000 0.436 98 T N 2.247 116.697 114.554 -0.173 0.000 2.788 98 T HA 0.491 4.842 4.350 0.001 0.000 0.280 98 T C -0.159 174.423 174.700 -0.196 0.000 0.984 98 T CA -0.695 61.287 62.100 -0.197 0.000 0.972 98 T CB 1.159 69.855 68.868 -0.287 0.000 1.039 98 T HN 0.508 nan 8.240 nan 0.000 0.530 99 K N 1.524 121.800 120.400 -0.206 0.000 2.138 99 K HA 0.404 4.725 4.320 0.001 0.000 0.263 99 K C -2.624 173.891 176.600 -0.141 0.000 0.965 99 K CA -2.071 54.062 56.287 -0.257 0.000 0.868 99 K CB 1.079 33.303 32.500 -0.461 0.000 1.083 99 K HN 0.423 nan 8.250 nan 0.000 0.443 100 P HA -0.226 nan 4.420 nan 0.000 0.258 100 P C -0.859 176.402 177.300 -0.065 0.000 1.102 100 P CA 1.386 64.387 63.100 -0.165 0.000 0.757 100 P CB 0.291 31.843 31.700 -0.248 0.000 0.681 101 M N 1.406 120.973 119.600 -0.054 0.000 2.846 101 M HA 0.615 5.095 4.480 0.001 0.000 0.282 101 M C -0.948 175.365 176.300 0.021 0.000 1.266 101 M CA -1.099 54.191 55.300 -0.017 0.000 0.766 101 M CB 2.370 34.950 32.600 -0.034 0.000 1.739 101 M HN -0.165 nan 8.290 nan 0.000 0.442 102 V N 1.413 121.351 119.914 0.040 0.000 2.653 102 V HA 0.277 4.397 4.120 0.001 0.000 0.298 102 V C -1.449 174.668 176.094 0.038 0.000 1.097 102 V CA -0.797 61.537 62.300 0.056 0.000 0.908 102 V CB 1.878 33.764 31.823 0.105 0.000 1.024 102 V HN 0.872 nan 8.190 nan 0.000 0.435 103 N N 3.934 122.644 118.700 0.018 0.000 2.425 103 N HA 0.608 5.348 4.740 0.001 0.000 0.268 103 N C -0.722 174.792 175.510 0.006 0.000 0.991 103 N CA -0.377 52.673 53.050 0.001 0.000 0.931 103 N CB 1.125 39.599 38.487 -0.021 0.000 1.130 103 N HN 0.848 nan 8.380 nan 0.000 0.493 104 E N 1.147 121.350 120.200 0.004 0.000 2.308 104 E HA 0.363 4.714 4.350 0.001 0.000 0.275 104 E C -0.932 175.667 176.600 -0.002 0.000 0.890 104 E CA -1.053 55.347 56.400 -0.000 0.000 0.754 104 E CB 1.006 30.704 29.700 -0.003 0.000 1.207 104 E HN 0.518 nan 8.360 nan 0.000 0.426 105 S N 1.839 117.538 115.700 -0.003 0.000 2.589 105 S HA 0.058 4.529 4.470 0.001 0.000 0.265 105 S C 0.521 175.120 174.600 -0.002 0.000 1.342 105 S CA 0.004 58.203 58.200 -0.002 0.000 1.005 105 S CB 0.353 63.553 63.200 -0.001 0.000 0.909 105 S HN 0.799 nan 8.310 nan 0.000 0.555 106 D N -0.493 119.907 120.400 -0.001 0.000 3.059 106 D HA -0.126 4.514 4.640 0.001 0.000 0.213 106 D C 0.337 176.635 176.300 -0.002 0.000 1.144 106 D CA 1.901 55.900 54.000 -0.001 0.000 0.975 106 D CB -1.315 39.484 40.800 -0.001 0.000 1.125 106 D HN 0.936 nan 8.370 nan 0.000 0.412 107 G N -2.027 106.772 108.800 -0.002 0.000 2.827 107 G HA2 0.612 4.572 3.960 0.001 0.000 0.296 107 G HA3 0.612 4.572 3.960 0.001 0.000 0.296 107 G C 0.381 175.284 174.900 0.006 0.000 1.362 107 G CA 0.063 45.162 45.100 -0.001 0.000 0.809 107 G HN 0.052 nan 8.290 nan 0.000 0.522 108 V N -0.971 118.953 119.914 0.016 0.000 6.828 108 V HA 0.585 4.706 4.120 0.001 0.000 0.202 108 V C 0.718 176.831 176.094 0.031 0.000 1.630 108 V CA 0.076 62.391 62.300 0.025 0.000 0.797 108 V CB 0.627 32.474 31.823 0.039 0.000 1.738 108 V HN 0.651 nan 8.190 nan 0.000 0.341 109 T N 0.092 114.677 114.554 0.052 0.000 3.428 109 T HA 0.299 4.649 4.350 0.001 0.000 0.301 109 T C -0.616 174.142 174.700 0.096 0.000 1.323 109 T CA -0.275 61.856 62.100 0.052 0.000 1.647 109 T CB -0.484 68.391 68.868 0.012 0.000 0.871 109 T HN 0.594 nan 8.240 nan 0.000 0.627 110 H N 2.184 121.262 119.070 0.013 0.000 2.998 110 H HA 0.408 4.964 4.556 0.001 0.000 0.353 110 H C 0.444 175.792 175.328 0.033 0.000 1.099 110 H CA 0.489 56.553 56.048 0.028 0.000 1.393 110 H CB 0.518 30.298 29.762 0.031 0.000 1.343 110 H HN 0.631 nan 8.280 nan 0.000 0.609 111 A N 5.447 128.052 122.820 -0.359 0.000 2.269 111 A HA 0.386 4.707 4.320 0.001 0.000 0.302 111 A C -0.552 176.870 177.584 -0.270 0.000 1.266 111 A CA -0.613 51.294 52.037 -0.216 0.000 0.894 111 A CB -0.072 18.848 19.000 -0.134 0.000 1.147 111 A HN 0.608 nan 8.150 nan 0.000 0.537 112 L N 2.811 123.952 121.223 -0.136 0.000 2.456 112 L HA 0.660 5.000 4.340 0.001 0.000 0.257 112 L C -0.748 175.972 176.870 -0.250 0.000 1.162 112 L CA 0.236 55.046 54.840 -0.049 0.000 0.808 112 L CB 0.542 42.633 42.059 0.052 0.000 1.136 112 L HN 0.657 nan 8.230 nan 0.000 0.466 113 Y N 1.972 122.259 120.300 -0.022 0.000 2.644 113 Y HA 0.424 4.974 4.550 0.001 0.000 0.338 113 Y C -1.865 174.054 175.900 0.032 0.000 1.119 113 Y CA -1.067 57.021 58.100 -0.021 0.000 1.060 113 Y CB 1.385 39.740 38.460 -0.175 0.000 1.294 113 Y HN 0.497 nan 8.280 nan 0.000 0.472 114 P HA -0.226 nan 4.420 nan 0.000 0.205 114 P C 1.021 178.261 177.300 -0.099 0.000 1.193 114 P CA 1.803 64.705 63.100 -0.330 0.000 0.929 114 P CB 0.254 31.750 31.700 -0.341 0.000 0.772 115 Q N 0.132 119.908 119.800 -0.040 0.000 2.458 115 Q HA -0.206 4.135 4.340 0.001 0.000 0.215 115 Q C 2.045 178.058 176.000 0.022 0.000 0.989 115 Q CA 1.575 57.372 55.803 -0.010 0.000 0.895 115 Q CB -0.849 27.878 28.738 -0.020 0.000 0.934 115 Q HN 0.441 nan 8.270 nan 0.000 0.475 116 E N -2.038 118.193 120.200 0.052 0.000 2.276 116 E HA 0.033 4.383 4.350 0.001 0.000 0.193 116 E C 1.523 178.172 176.600 0.082 0.000 0.983 116 E CA 0.546 56.994 56.400 0.079 0.000 0.861 116 E CB 0.011 29.783 29.700 0.120 0.000 0.817 116 E HN 0.436 nan 8.360 nan 0.000 0.485 117 A N 1.588 124.452 122.820 0.074 0.000 1.897 117 A HA -0.116 4.204 4.320 0.001 0.000 0.215 117 A C 2.080 179.701 177.584 0.060 0.000 1.181 117 A CA 0.865 52.948 52.037 0.076 0.000 0.620 117 A CB -0.306 18.747 19.000 0.088 0.000 0.821 117 A HN 0.121 nan 8.150 nan 0.000 0.443 118 R N -0.294 120.235 120.500 0.048 0.000 2.120 118 R HA -0.037 4.304 4.340 0.001 0.000 0.234 118 R C 1.834 178.187 176.300 0.088 0.000 1.123 118 R CA 1.327 57.463 56.100 0.060 0.000 0.975 118 R CB -0.515 29.813 30.300 0.047 0.000 0.866 118 R HN 0.498 nan 8.270 nan 0.000 0.446 119 L N -0.157 121.124 121.223 0.096 0.000 2.202 119 L HA 0.014 4.355 4.340 0.001 0.000 0.205 119 L C 1.909 178.923 176.870 0.240 0.000 1.083 119 L CA 0.881 55.806 54.840 0.142 0.000 0.790 119 L CB -0.141 41.983 42.059 0.108 0.000 0.942 119 L HN 0.070 nan 8.230 nan 0.000 0.452 120 R N 0.236 120.827 120.500 0.153 0.000 2.388 120 R HA 0.129 4.470 4.340 0.001 0.000 0.247 120 R C -0.181 176.035 176.300 -0.141 0.000 0.931 120 R CA -0.109 56.032 56.100 0.068 0.000 1.082 120 R CB -0.079 30.232 30.300 0.019 0.000 1.135 120 R HN 0.340 nan 8.270 nan 0.000 0.525 121 N N 1.168 119.864 118.700 -0.005 0.000 2.725 121 N HA -0.197 4.544 4.740 0.001 0.000 0.251 121 N C -0.675 174.792 175.510 -0.072 0.000 1.031 121 N CA -0.048 52.976 53.050 -0.043 0.000 0.720 121 N CB -0.647 37.773 38.487 -0.111 0.000 0.930 121 N HN 0.201 nan 8.380 nan 0.000 0.543 122 L N -0.602 120.613 121.223 -0.013 0.000 2.578 122 L HA 0.553 4.894 4.340 0.001 0.000 0.259 122 L C 0.759 177.664 176.870 0.059 0.000 1.082 122 L CA -0.629 54.217 54.840 0.010 0.000 0.843 122 L CB 1.107 43.188 42.059 0.037 0.000 1.535 122 L HN -0.049 nan 8.230 nan 0.000 0.510 123 T N -1.110 113.494 114.554 0.083 0.000 2.792 123 T HA 0.209 4.559 4.350 0.001 0.000 0.280 123 T C -0.683 174.124 174.700 0.178 0.000 0.990 123 T CA -0.217 61.955 62.100 0.119 0.000 0.960 123 T CB 0.777 69.700 68.868 0.090 0.000 0.939 123 T HN 0.258 nan 8.240 nan 0.000 0.439 124 Y N 4.226 124.552 120.300 0.044 0.000 2.851 124 Y HA 0.252 4.802 4.550 0.001 0.000 0.369 124 Y C 1.276 177.204 175.900 0.046 0.000 1.226 124 Y CA -0.931 57.187 58.100 0.030 0.000 1.949 124 Y CB -1.016 37.443 38.460 -0.001 0.000 2.059 124 Y HN 0.774 nan 8.280 nan 0.000 0.420 125 S N 0.271 115.983 115.700 0.021 0.000 2.218 125 S HA 0.784 5.255 4.470 0.001 0.000 0.225 125 S C 0.067 174.603 174.600 -0.106 0.000 1.243 125 S CA 0.071 58.271 58.200 -0.001 0.000 1.057 125 S CB 0.285 63.515 63.200 0.050 0.000 0.985 125 S HN 0.674 nan 8.310 nan 0.000 0.434 126 S N -2.099 113.569 115.700 -0.052 0.000 2.769 126 S HA 0.458 4.929 4.470 0.001 0.000 0.283 126 S C -0.348 174.221 174.600 -0.052 0.000 0.936 126 S CA -0.817 57.328 58.200 -0.091 0.000 0.893 126 S CB -0.343 62.770 63.200 -0.144 0.000 1.125 126 S HN 1.478 nan 8.310 nan 0.000 0.464 127 G N 0.024 108.755 108.800 -0.115 0.000 2.527 127 G HA2 0.543 4.503 3.960 0.001 0.000 0.248 127 G HA3 0.543 4.503 3.960 0.001 0.000 0.248 127 G C -1.146 173.633 174.900 -0.201 0.000 1.231 127 G CA -0.491 44.517 45.100 -0.152 0.000 0.838 127 G HN 0.762 nan 8.290 nan 0.000 0.570 128 L N 1.722 122.898 121.223 -0.079 0.000 2.388 128 L HA 0.461 4.802 4.340 0.001 0.000 0.267 128 L C -0.662 176.397 176.870 0.315 0.000 0.995 128 L CA -0.672 54.185 54.840 0.028 0.000 0.864 128 L CB 0.646 42.728 42.059 0.038 0.000 1.216 128 L HN 0.465 nan 8.230 nan 0.000 0.430 129 F N 3.111 123.156 119.950 0.160 0.000 2.469 129 F HA 0.770 5.297 4.527 0.001 0.000 0.332 129 F C 0.107 176.060 175.800 0.255 0.000 1.103 129 F CA -1.194 56.915 58.000 0.181 0.000 0.979 129 F CB 2.207 41.272 39.000 0.108 0.000 1.137 129 F HN 0.032 nan 8.300 nan 0.000 0.463 130 V N 1.394 121.540 119.914 0.386 0.000 3.078 130 V HA 0.261 4.382 4.120 0.001 0.000 0.311 130 V C -0.996 175.251 176.094 0.256 0.000 1.138 130 V CA -1.042 61.448 62.300 0.317 0.000 1.007 130 V CB 2.599 34.579 31.823 0.262 0.000 1.045 130 V HN 0.552 nan 8.190 nan 0.000 0.432 131 D N 2.121 122.661 120.400 0.233 0.000 2.396 131 D HA 0.403 5.044 4.640 0.001 0.000 0.225 131 D C -0.230 176.113 176.300 0.072 0.000 1.121 131 D CA 0.049 54.137 54.000 0.147 0.000 0.853 131 D CB 1.853 42.741 40.800 0.147 0.000 1.043 131 D HN 0.213 nan 8.370 nan 0.000 0.500 132 V N 2.503 122.423 119.914 0.009 0.000 3.036 132 V HA 0.358 4.478 4.120 0.001 0.000 0.308 132 V C 0.464 176.492 176.094 -0.109 0.000 1.070 132 V CA -0.496 61.726 62.300 -0.130 0.000 1.056 132 V CB 1.209 32.962 31.823 -0.116 0.000 1.084 132 V HN 0.349 nan 8.190 nan 0.000 0.471 133 K N 2.376 122.680 120.400 -0.161 0.000 2.652 133 K HA 0.368 4.689 4.320 0.001 0.000 0.249 133 K C -0.841 175.703 176.600 -0.094 0.000 0.986 133 K CA -0.757 55.472 56.287 -0.097 0.000 0.867 133 K CB 2.038 34.493 32.500 -0.074 0.000 1.201 133 K HN 0.790 nan 8.250 nan 0.000 0.450 165 V N 2.814 122.574 119.914 -0.256 0.000 2.638 165 V HA 0.405 4.526 4.120 0.001 0.000 0.306 165 V C -0.784 175.262 176.094 -0.079 0.000 1.052 165 V CA -0.847 61.353 62.300 -0.166 0.000 0.885 165 V CB 1.359 33.192 31.823 0.016 0.000 0.999 165 V HN 0.226 nan 8.190 nan 0.000 0.424 166 F N 6.419 126.254 119.950 -0.192 0.000 2.504 166 F HA 0.553 5.081 4.527 0.001 0.000 0.369 166 F C 0.098 176.035 175.800 0.228 0.000 1.082 166 F CA -0.653 57.482 58.000 0.225 0.000 1.216 166 F CB 0.372 39.506 39.000 0.222 0.000 1.108 166 F HN 0.372 nan 8.300 nan 0.000 0.554 167 I N 7.109 127.526 120.570 -0.254 0.000 2.796 167 I HA 0.349 4.520 4.170 0.001 0.000 0.277 167 I C 0.399 176.243 176.117 -0.455 0.000 1.331 167 I CA -0.359 60.745 61.300 -0.328 0.000 0.983 167 I CB 0.432 38.417 38.000 -0.025 0.000 1.410 167 I HN 0.946 nan 8.210 nan 0.000 0.561 168 G N 4.212 112.456 108.800 -0.926 0.000 2.692 168 G HA2 -0.229 3.731 3.960 0.001 0.000 0.248 168 G HA3 -0.229 3.731 3.960 0.001 0.000 0.248 168 G C -0.444 174.365 174.900 -0.151 0.000 1.340 168 G CA -0.519 44.307 45.100 -0.456 0.000 0.896 168 G HN 0.592 nan 8.290 nan 0.000 0.570 169 R N -1.276 119.239 120.500 0.025 0.000 2.538 169 R HA 0.548 4.889 4.340 0.001 0.000 0.292 169 R C -0.750 175.582 176.300 0.053 0.000 1.008 169 R CA -0.896 55.252 56.100 0.080 0.000 0.896 169 R CB 1.919 32.301 30.300 0.136 0.000 1.187 169 R HN 0.663 nan 8.270 nan 0.000 0.440 170 L N 4.878 126.123 121.223 0.037 0.000 2.257 170 L HA 0.459 4.800 4.340 0.001 0.000 0.290 170 L C -2.371 174.569 176.870 0.116 0.000 1.044 170 L CA -2.000 52.877 54.840 0.062 0.000 0.810 170 L CB 0.827 42.912 42.059 0.042 0.000 1.193 170 L HN 0.451 nan 8.230 nan 0.000 0.425 171 P HA 0.043 nan 4.420 nan 0.000 0.265 171 P C -0.480 176.989 177.300 0.281 0.000 1.222 171 P CA -0.002 63.226 63.100 0.214 0.000 0.767 171 P CB 0.362 32.207 31.700 0.242 0.000 0.801 172 I N 4.085 124.730 120.570 0.126 0.000 2.764 172 I HA 0.299 4.470 4.170 0.001 0.000 0.294 172 I C 1.043 176.886 176.117 -0.456 0.000 1.045 172 I CA -0.801 60.528 61.300 0.049 0.000 1.340 172 I CB 0.449 38.452 38.000 0.005 0.000 1.436 172 I HN 0.395 nan 8.210 nan 0.000 0.567 173 M N 4.495 123.526 119.600 -0.948 0.000 2.180 173 M HA 0.333 4.814 4.480 0.001 0.000 0.350 173 M C -1.047 174.944 176.300 -0.515 0.000 1.125 173 M CA -0.874 53.636 55.300 -1.317 0.000 1.031 173 M CB 1.125 32.616 32.600 -1.848 0.000 1.623 173 M HN 0.267 nan 8.290 nan 0.000 0.451 174 L N 5.175 126.060 121.223 -0.564 0.000 2.559 174 L HA 0.003 4.343 4.340 0.001 0.000 0.282 174 L C 1.052 177.769 176.870 -0.256 0.000 1.232 174 L CA 1.224 55.810 54.840 -0.423 0.000 0.885 174 L CB -0.068 41.527 42.059 -0.774 0.000 1.131 174 L HN 0.968 nan 8.230 nan 0.000 0.498 175 R N -0.024 120.412 120.500 -0.108 0.000 3.989 175 R HA -0.205 4.136 4.340 0.001 0.000 0.377 175 R C 0.856 177.153 176.300 -0.006 0.000 1.158 175 R CA 1.085 57.161 56.100 -0.040 0.000 1.035 175 R CB -1.887 28.385 30.300 -0.047 0.000 1.557 175 R HN 0.946 nan 8.270 nan 0.000 0.551 176 S N -1.058 114.653 115.700 0.019 0.000 2.078 176 S HA 0.158 4.629 4.470 0.001 0.000 0.194 176 S C 1.188 175.811 174.600 0.037 0.000 1.346 176 S CA 0.398 58.651 58.200 0.089 0.000 1.309 176 S CB 0.193 63.568 63.200 0.292 0.000 0.721 176 S HN 0.311 nan 8.310 nan 0.000 0.396 177 K N 0.001 120.406 120.400 0.009 0.000 2.365 177 K HA 0.277 4.597 4.320 0.001 0.000 0.195 177 K C 0.805 177.357 176.600 -0.080 0.000 1.079 177 K CA 0.193 56.451 56.287 -0.047 0.000 0.979 177 K CB -0.066 32.383 32.500 -0.084 0.000 0.929 177 K HN 0.346 nan 8.250 nan 0.000 0.523 178 N N 0.178 118.833 118.700 -0.076 0.000 2.314 178 N HA 0.016 4.757 4.740 0.001 0.000 0.200 178 N C -0.862 174.552 175.510 -0.160 0.000 1.135 178 N CA 0.065 53.024 53.050 -0.151 0.000 0.835 178 N CB 0.397 38.802 38.487 -0.137 0.000 0.989 178 N HN 0.044 nan 8.380 nan 0.000 0.478 179 C N 0.786 120.065 119.300 -0.035 0.000 2.285 179 C HA 0.248 4.708 4.460 0.001 0.000 0.335 179 C C 1.421 176.465 174.990 0.091 0.000 1.267 179 C CA -0.690 58.398 59.018 0.117 0.000 1.762 179 C CB -1.203 26.627 27.740 0.151 0.000 2.365 179 C HN 0.503 nan 8.230 nan 0.000 0.527 180 Y N 3.601 123.898 120.300 -0.004 0.000 2.298 180 Y HA -0.144 4.406 4.550 0.001 0.000 0.287 180 Y C 2.083 178.030 175.900 0.079 0.000 1.164 180 Y CA 1.451 59.555 58.100 0.006 0.000 1.229 180 Y CB -0.586 37.839 38.460 -0.058 0.000 0.977 180 Y HN 0.660 nan 8.280 nan 0.000 0.538 181 L N -0.289 121.091 121.223 0.261 0.000 2.265 181 L HA -0.208 4.133 4.340 0.001 0.000 0.215 181 L C 2.438 179.365 176.870 0.095 0.000 1.117 181 L CA 1.413 56.348 54.840 0.159 0.000 0.782 181 L CB -0.850 41.270 42.059 0.102 0.000 0.914 181 L HN 0.336 nan 8.230 nan 0.000 0.441 182 S N -0.599 115.146 115.700 0.074 0.000 2.419 182 S HA -0.182 4.288 4.470 0.001 0.000 0.233 182 S C 1.632 176.256 174.600 0.040 0.000 1.016 182 S CA 1.157 59.381 58.200 0.040 0.000 0.974 182 S CB -0.108 63.102 63.200 0.017 0.000 0.786 182 S HN 0.538 nan 8.310 nan 0.000 0.492 183 E N 1.520 121.753 120.200 0.054 0.000 2.162 183 E HA 0.423 4.773 4.350 0.001 0.000 0.193 183 E C 1.123 177.761 176.600 0.063 0.000 0.953 183 E CA 0.297 56.727 56.400 0.050 0.000 0.849 183 E CB -0.159 29.569 29.700 0.046 0.000 0.810 183 E HN 0.618 nan 8.360 nan 0.000 0.470 184 A N 1.575 124.450 122.820 0.092 0.000 2.577 184 A HA 0.137 4.458 4.320 0.001 0.000 0.233 184 A C 0.576 178.196 177.584 0.060 0.000 1.076 184 A CA 0.806 52.896 52.037 0.089 0.000 0.767 184 A CB -0.116 18.954 19.000 0.117 0.000 1.017 184 A HN 0.241 nan 8.150 nan 0.000 0.511 185 T N -1.553 113.032 114.554 0.052 0.000 2.887 185 T HA 0.556 4.907 4.350 0.001 0.000 0.292 185 T C 0.654 175.380 174.700 0.043 0.000 1.087 185 T CA 0.095 62.216 62.100 0.034 0.000 1.009 185 T CB 1.255 70.134 68.868 0.018 0.000 1.203 185 T HN 0.719 nan 8.240 nan 0.000 0.518 186 E N 1.439 121.654 120.200 0.026 0.000 2.507 186 E HA -0.358 3.992 4.350 0.001 0.000 0.243 186 E C 2.133 178.783 176.600 0.083 0.000 0.925 186 E CA 3.336 59.758 56.400 0.037 0.000 1.067 186 E CB -1.029 28.639 29.700 -0.054 0.000 1.075 186 E HN 0.841 nan 8.360 nan 0.000 0.528 187 S N -0.037 115.647 115.700 -0.028 0.000 2.387 187 S HA -0.248 4.222 4.470 0.001 0.000 0.230 187 S C 1.858 176.492 174.600 0.056 0.000 1.035 187 S CA 1.520 59.702 58.200 -0.029 0.000 1.014 187 S CB -0.548 62.609 63.200 -0.072 0.000 0.836 187 S HN 0.383 nan 8.310 nan 0.000 0.466 188 D N 1.603 122.032 120.400 0.049 0.000 2.133 188 D HA -0.062 4.578 4.640 0.001 0.000 0.195 188 D C 1.894 178.235 176.300 0.068 0.000 0.997 188 D CA 1.143 55.174 54.000 0.051 0.000 0.840 188 D CB -0.216 40.617 40.800 0.056 0.000 0.947 188 D HN 0.409 nan 8.370 nan 0.000 0.452 189 L N -0.599 120.688 121.223 0.107 0.000 2.023 189 L HA -0.195 4.146 4.340 0.001 0.000 0.205 189 L C 2.549 179.474 176.870 0.091 0.000 1.073 189 L CA 0.847 55.742 54.840 0.092 0.000 0.745 189 L CB -0.712 41.402 42.059 0.092 0.000 0.900 189 L HN 0.058 nan 8.230 nan 0.000 0.435 190 Y N 0.901 121.183 120.300 -0.029 0.000 2.139 190 Y HA -0.323 4.228 4.550 0.001 0.000 0.282 190 Y C 2.582 178.453 175.900 -0.048 0.000 1.179 190 Y CA 1.586 59.664 58.100 -0.036 0.000 1.161 190 Y CB -0.467 37.972 38.460 -0.034 0.000 0.970 190 Y HN 0.100 nan 8.280 nan 0.000 0.511 191 K N -0.285 120.179 120.400 0.107 0.000 2.442 191 K HA -0.056 4.265 4.320 0.001 0.000 0.198 191 K C 1.406 177.977 176.600 -0.048 0.000 1.042 191 K CA 0.659 56.957 56.287 0.018 0.000 0.958 191 K CB -0.194 32.306 32.500 0.000 0.000 0.766 191 K HN 0.332 nan 8.250 nan 0.000 0.474 192 L N 0.318 121.506 121.223 -0.058 0.000 2.611 192 L HA 0.051 4.391 4.340 0.001 0.000 0.229 192 L C 0.447 177.259 176.870 -0.097 0.000 1.137 192 L CA 0.273 55.037 54.840 -0.126 0.000 0.901 192 L CB 0.004 41.998 42.059 -0.109 0.000 1.098 192 L HN 0.135 nan 8.230 nan 0.000 0.456 193 K N -1.164 119.188 120.400 -0.080 0.000 3.596 193 K HA -0.206 4.114 4.320 0.001 0.000 0.295 193 K C 0.362 176.891 176.600 -0.118 0.000 1.230 193 K CA 1.091 57.321 56.287 -0.095 0.000 1.029 193 K CB -0.672 31.784 32.500 -0.074 0.000 1.303 193 K HN 0.254 nan 8.250 nan 0.000 0.442 194 E N 1.023 121.164 120.200 -0.099 0.000 2.354 194 E HA 0.056 4.407 4.350 0.001 0.000 0.269 194 E C -0.179 176.330 176.600 -0.152 0.000 1.036 194 E CA -0.074 56.274 56.400 -0.087 0.000 0.876 194 E CB 1.209 30.887 29.700 -0.037 0.000 1.009 194 E HN 0.260 nan 8.360 nan 0.000 0.416 195 C N 6.113 125.337 119.300 -0.127 0.000 2.601 195 C HA 0.208 4.669 4.460 0.001 0.000 0.409 195 C C -0.739 174.220 174.990 -0.051 0.000 1.293 195 C CA -1.643 57.282 59.018 -0.154 0.000 2.101 195 C CB 0.036 27.731 27.740 -0.074 0.000 2.639 195 C HN 0.598 nan 8.230 nan 0.000 0.592 196 P HA -0.086 nan 4.420 nan 0.000 0.219 196 P C 1.171 178.438 177.300 -0.055 0.000 1.150 196 P CA 1.661 64.737 63.100 -0.039 0.000 0.814 196 P CB -0.079 31.611 31.700 -0.015 0.000 0.787 197 F N 0.397 120.330 119.950 -0.029 0.000 2.502 197 F HA 0.022 4.549 4.527 0.001 0.000 0.298 197 F C 1.162 177.051 175.800 0.149 0.000 1.111 197 F CA 0.232 58.237 58.000 0.009 0.000 1.445 197 F CB -1.250 37.664 39.000 -0.142 0.000 1.081 197 F HN -0.077 nan 8.300 nan 0.000 0.558 198 D N 1.083 121.653 120.400 0.284 0.000 2.493 198 D HA -0.033 4.607 4.640 0.001 0.000 0.240 198 D C 1.049 177.464 176.300 0.191 0.000 1.142 198 D CA 0.234 54.384 54.000 0.249 0.000 0.872 198 D CB 0.563 41.471 40.800 0.180 0.000 1.173 198 D HN 0.036 nan 8.370 nan 0.000 0.467 199 M N 2.256 121.972 119.600 0.193 0.000 2.405 199 M HA 0.317 4.798 4.480 0.001 0.000 0.292 199 M C 0.828 177.188 176.300 0.101 0.000 1.111 199 M CA -0.094 55.279 55.300 0.122 0.000 0.979 199 M CB -0.699 31.962 32.600 0.101 0.000 1.426 199 M HN 0.349 nan 8.290 nan 0.000 0.509 200 G N 1.969 110.866 108.800 0.162 0.000 2.566 200 G HA2 -0.046 3.915 3.960 0.001 0.000 0.308 200 G HA3 -0.046 3.915 3.960 0.001 0.000 0.308 200 G C 0.711 175.664 174.900 0.088 0.000 1.317 200 G CA 1.101 46.197 45.100 -0.005 0.000 0.930 200 G HN 1.847 nan 8.290 nan 0.000 0.547 201 G N -3.318 105.403 108.800 -0.131 0.000 2.134 201 G HA2 0.294 4.254 3.960 0.001 0.000 0.209 201 G HA3 0.294 4.254 3.960 0.001 0.000 0.209 201 G C 0.087 175.011 174.900 0.039 0.000 0.993 201 G CA 1.198 46.271 45.100 -0.045 0.000 0.669 201 G HN 2.398 nan 8.290 nan 0.000 0.519 202 Y N -2.045 118.163 120.300 -0.154 0.000 2.644 202 Y HA 0.851 5.401 4.550 0.001 0.000 0.338 202 Y C -0.449 175.397 175.900 -0.090 0.000 1.119 202 Y CA -2.597 55.485 58.100 -0.030 0.000 1.060 202 Y CB 0.793 39.224 38.460 -0.048 0.000 1.294 202 Y HN -0.017 nan 8.280 nan 0.000 0.472 203 F N 1.328 121.278 119.950 -0.000 0.000 2.457 203 F HA 0.635 5.162 4.527 0.001 0.000 0.330 203 F C -0.256 175.571 175.800 0.045 0.000 1.069 203 F CA -1.579 56.378 58.000 -0.071 0.000 1.009 203 F CB 1.273 40.226 39.000 -0.078 0.000 1.276 203 F HN 0.269 nan 8.300 nan 0.000 0.492 204 I N 3.649 124.347 120.570 0.214 0.000 2.495 204 I HA 0.308 4.478 4.170 0.001 0.000 0.277 204 I C -0.943 175.271 176.117 0.161 0.000 1.045 204 I CA -0.511 60.881 61.300 0.153 0.000 1.135 204 I CB 0.400 38.420 38.000 0.034 0.000 1.241 204 I HN 0.279 nan 8.210 nan 0.000 0.469 205 I N 5.400 126.050 120.570 0.133 0.000 2.493 205 I HA 0.436 4.606 4.170 0.001 0.000 0.298 205 I C 1.211 177.365 176.117 0.063 0.000 0.998 205 I CA -0.311 61.048 61.300 0.098 0.000 1.137 205 I CB 0.844 38.888 38.000 0.073 0.000 1.310 205 I HN 0.361 nan 8.210 nan 0.000 0.445 206 N N 4.010 122.738 118.700 0.047 0.000 2.627 206 N HA -0.276 4.464 4.740 0.001 0.000 0.248 206 N C 1.100 176.625 175.510 0.026 0.000 1.173 206 N CA 1.496 54.558 53.050 0.020 0.000 0.741 206 N CB -0.532 37.960 38.487 0.010 0.000 1.128 206 N HN 1.192 nan 8.380 nan 0.000 0.562 207 G N -2.046 106.781 108.800 0.046 0.000 2.313 207 G HA2 -0.290 3.670 3.960 0.001 0.000 0.215 207 G HA3 -0.290 3.670 3.960 0.001 0.000 0.215 207 G C -0.015 174.920 174.900 0.058 0.000 1.023 207 G CA 0.432 45.565 45.100 0.055 0.000 0.626 207 G HN 0.980 nan 8.290 nan 0.000 0.503 208 S N 1.073 116.803 115.700 0.050 0.000 2.525 208 S HA 0.596 5.066 4.470 0.001 0.000 0.278 208 S C -0.117 174.518 174.600 0.058 0.000 1.234 208 S CA -0.508 57.714 58.200 0.038 0.000 1.058 208 S CB 1.825 65.035 63.200 0.017 0.000 0.983 208 S HN 0.413 nan 8.310 nan 0.000 0.495 209 E N 2.618 122.843 120.200 0.042 0.000 2.059 209 E HA 0.071 4.421 4.350 0.001 0.000 0.262 209 E C -0.241 176.379 176.600 0.033 0.000 1.230 209 E CA -0.125 56.318 56.400 0.072 0.000 0.951 209 E CB 0.192 29.832 29.700 -0.099 0.000 1.038 209 E HN 0.315 nan 8.360 nan 0.000 0.425 210 K N 1.924 122.390 120.400 0.109 0.000 2.143 210 K HA 0.379 4.699 4.320 0.001 0.000 0.272 210 K C -0.294 176.353 176.600 0.077 0.000 1.001 210 K CA -0.776 55.545 56.287 0.056 0.000 0.915 210 K CB 1.826 34.348 32.500 0.036 0.000 1.047 210 K HN 0.146 nan 8.250 nan 0.000 0.458 211 V N 4.006 123.901 119.914 -0.030 0.000 2.487 211 V HA 0.356 4.477 4.120 0.001 0.000 0.298 211 V C 0.062 176.110 176.094 -0.076 0.000 1.028 211 V CA -0.940 61.316 62.300 -0.073 0.000 0.860 211 V CB 1.590 33.209 31.823 -0.339 0.000 0.991 211 V HN 0.536 nan 8.190 nan 0.000 0.427 212 L N 5.578 126.774 121.223 -0.046 0.000 2.290 212 L HA 0.495 4.836 4.340 0.001 0.000 0.284 212 L C -0.200 176.620 176.870 -0.084 0.000 1.078 212 L CA -0.126 54.661 54.840 -0.088 0.000 0.815 212 L CB 0.996 42.994 42.059 -0.102 0.000 1.162 212 L HN 0.476 nan 8.230 nan 0.000 0.435 213 I N 2.859 123.370 120.570 -0.098 0.000 2.440 213 I HA 0.276 4.446 4.170 0.001 0.000 0.294 213 I C 0.748 176.811 176.117 -0.092 0.000 0.995 213 I CA -0.528 60.728 61.300 -0.073 0.000 1.306 213 I CB 1.720 39.695 38.000 -0.042 0.000 1.407 213 I HN 0.638 nan 8.210 nan 0.000 0.501 214 A N 6.855 129.640 122.820 -0.058 0.000 2.524 214 A HA 0.140 4.461 4.320 0.001 0.000 0.250 214 A C -0.110 177.436 177.584 -0.063 0.000 1.078 214 A CA -0.176 51.828 52.037 -0.055 0.000 0.761 214 A CB -0.015 18.971 19.000 -0.022 0.000 1.012 214 A HN 0.631 nan 8.150 nan 0.000 0.500 215 Q N 2.139 121.886 119.800 -0.088 0.000 2.400 215 Q HA 0.208 4.549 4.340 0.001 0.000 0.255 215 Q C -0.067 175.897 176.000 -0.059 0.000 1.008 215 Q CA -0.166 55.584 55.803 -0.089 0.000 0.841 215 Q CB 1.377 30.028 28.738 -0.145 0.000 1.220 215 Q HN 0.921 nan 8.270 nan 0.000 0.474 216 E N 2.784 122.970 120.200 -0.025 0.000 2.408 216 E HA 0.222 4.572 4.350 0.001 0.000 0.259 216 E C -0.434 176.147 176.600 -0.030 0.000 1.110 216 E CA -0.089 56.304 56.400 -0.013 0.000 0.929 216 E CB 0.606 30.342 29.700 0.060 0.000 0.971 216 E HN 0.535 nan 8.360 nan 0.000 0.438 217 R N 0.530 121.003 120.500 -0.045 0.000 2.741 217 R HA 0.304 4.645 4.340 0.001 0.000 0.276 217 R C -1.551 174.716 176.300 -0.055 0.000 1.028 217 R CA -0.771 55.304 56.100 -0.042 0.000 0.865 217 R CB 0.707 30.979 30.300 -0.046 0.000 1.268 217 R HN 0.279 nan 8.270 nan 0.000 0.475 218 S N 0.345 116.020 115.700 -0.042 0.000 2.545 218 S HA 0.624 5.094 4.470 0.001 0.000 0.275 218 S C 0.085 174.647 174.600 -0.063 0.000 1.299 218 S CA 0.021 58.193 58.200 -0.047 0.000 1.048 218 S CB 0.309 63.496 63.200 -0.022 0.000 0.938 218 S HN 0.853 nan 8.310 nan 0.000 0.496 219 A N 4.035 126.800 122.820 -0.093 0.000 2.565 219 A HA 0.477 4.797 4.320 0.001 0.000 0.237 219 A C 0.874 178.411 177.584 -0.078 0.000 1.053 219 A CA 0.320 52.287 52.037 -0.117 0.000 0.755 219 A CB -0.420 18.471 19.000 -0.181 0.000 0.980 219 A HN 0.986 nan 8.150 nan 0.000 0.506 220 G N 0.677 109.435 108.800 -0.071 0.000 2.502 220 G HA2 0.448 4.409 3.960 0.001 0.000 0.305 220 G HA3 0.448 4.409 3.960 0.001 0.000 0.305 220 G C -0.033 174.829 174.900 -0.063 0.000 1.190 220 G CA -0.430 44.639 45.100 -0.052 0.000 0.933 220 G HN 1.017 nan 8.290 nan 0.000 0.503 221 N N -1.103 117.543 118.700 -0.091 0.000 2.708 221 N HA -0.142 4.598 4.740 0.001 0.000 0.255 221 N C -0.692 174.786 175.510 -0.053 0.000 1.046 221 N CA 0.843 53.786 53.050 -0.177 0.000 0.715 221 N CB -0.797 37.527 38.487 -0.271 0.000 0.895 221 N HN 0.343 nan 8.380 nan 0.000 0.545 222 I N -0.154 120.409 120.570 -0.013 0.000 2.752 222 I HA 0.321 4.492 4.170 0.001 0.000 0.295 222 I C 0.231 176.346 176.117 -0.003 0.000 1.219 222 I CA -0.888 60.424 61.300 0.019 0.000 1.030 222 I CB 2.264 40.262 38.000 -0.003 0.000 1.259 222 I HN -0.134 nan 8.210 nan 0.000 0.423 223 V N 4.219 124.113 119.914 -0.033 0.000 2.509 223 V HA 0.638 4.759 4.120 0.001 0.000 0.284 223 V C -0.229 175.750 176.094 -0.191 0.000 1.047 223 V CA -0.560 61.668 62.300 -0.119 0.000 0.952 223 V CB 1.181 32.881 31.823 -0.204 0.000 0.988 223 V HN 0.806 nan 8.190 nan 0.000 0.469 224 Q N 1.965 121.603 119.800 -0.271 0.000 2.418 224 Q HA 0.776 5.117 4.340 0.001 0.000 0.282 224 Q C -1.493 174.096 176.000 -0.685 0.000 1.044 224 Q CA -0.927 54.605 55.803 -0.451 0.000 0.813 224 Q CB 3.125 31.624 28.738 -0.399 0.000 1.428 224 Q HN 0.847 nan 8.270 nan 0.000 0.402 225 V N -1.603 117.793 119.914 -0.863 0.000 2.709 225 V HA 0.786 4.907 4.120 0.001 0.000 0.308 225 V C -1.229 174.345 176.094 -0.867 0.000 1.062 225 V CA -0.681 61.184 62.300 -0.726 0.000 0.901 225 V CB 1.120 32.724 31.823 -0.365 0.000 1.003 225 V HN 0.675 nan 8.190 nan 0.000 0.425 226 F N 1.075 120.979 119.950 -0.078 0.000 2.577 226 F HA 0.646 5.173 4.527 0.001 0.000 0.318 226 F C 0.279 175.998 175.800 -0.135 0.000 1.065 226 F CA -0.975 56.966 58.000 -0.099 0.000 0.929 226 F CB 2.396 41.357 39.000 -0.065 0.000 1.237 226 F HN 0.402 nan 8.300 nan 0.000 0.468 227 K N 1.847 122.265 120.400 0.031 0.000 2.174 227 K HA 0.361 4.682 4.320 0.001 0.000 0.275 227 K C -0.765 175.851 176.600 0.028 0.000 1.015 227 K CA -0.672 55.552 56.287 -0.106 0.000 0.933 227 K CB 1.097 33.494 32.500 -0.171 0.000 1.025 227 K HN 0.536 nan 8.250 nan 0.000 0.463 228 K N 1.842 122.284 120.400 0.071 0.000 2.274 228 K HA 0.285 4.606 4.320 0.001 0.000 0.262 228 K C -0.577 176.045 176.600 0.036 0.000 0.961 228 K CA -0.575 55.741 56.287 0.049 0.000 0.833 228 K CB 1.834 34.363 32.500 0.048 0.000 1.102 228 K HN 0.754 nan 8.250 nan 0.000 0.436 229 A N 2.209 125.036 122.820 0.012 0.000 2.632 229 A HA -0.023 4.298 4.320 0.001 0.000 0.229 229 A C 1.491 179.081 177.584 0.011 0.000 1.047 229 A CA 1.083 53.124 52.037 0.007 0.000 0.754 229 A CB -0.032 18.965 19.000 -0.005 0.000 0.969 229 A HN 0.975 nan 8.150 nan 0.000 0.509 230 A N 2.789 125.616 122.820 0.011 0.000 1.954 230 A HA -0.115 4.206 4.320 0.001 0.000 0.222 230 A C -0.276 177.311 177.584 0.005 0.000 1.199 230 A CA 2.035 54.079 52.037 0.011 0.000 0.657 230 A CB -1.656 17.349 19.000 0.009 0.000 0.823 230 A HN 0.816 nan 8.150 nan 0.000 0.463 231 P HA 0.280 nan 4.420 nan 0.000 0.225 231 P C -0.611 176.682 177.300 -0.011 0.000 1.813 231 P CA 0.460 63.557 63.100 -0.004 0.000 1.013 231 P CB 0.006 31.703 31.700 -0.005 0.000 1.961 232 S N 2.448 118.140 115.700 -0.013 0.000 2.535 232 S HA 0.446 4.916 4.470 0.001 0.000 0.272 232 S C -2.252 172.324 174.600 -0.040 0.000 1.149 232 S CA -1.111 57.071 58.200 -0.029 0.000 0.888 232 S CB 1.740 64.923 63.200 -0.029 0.000 1.110 232 S HN -0.014 nan 8.310 nan 0.000 0.463 233 P HA 0.171 nan 4.420 nan 0.000 0.224 233 P C 0.181 177.403 177.300 -0.130 0.000 1.157 233 P CA 0.362 63.416 63.100 -0.076 0.000 0.799 233 P CB -0.025 31.628 31.700 -0.078 0.000 0.809 234 I N 0.328 120.785 120.570 -0.187 0.000 2.474 234 I HA 0.081 4.251 4.170 0.001 0.000 0.287 234 I C 1.959 178.034 176.117 -0.070 0.000 1.048 234 I CA 0.219 61.397 61.300 -0.203 0.000 1.383 234 I CB 0.847 38.700 38.000 -0.246 0.000 1.412 234 I HN -0.127 nan 8.210 nan 0.000 0.531 235 S N 5.174 120.843 115.700 -0.052 0.000 2.297 235 S HA 0.188 4.659 4.470 0.001 0.000 0.200 235 S C 0.509 175.251 174.600 0.237 0.000 1.011 235 S CA 0.621 58.817 58.200 -0.008 0.000 0.938 235 S CB -0.024 63.022 63.200 -0.257 0.000 0.924 235 S HN 0.670 nan 8.310 nan 0.000 0.504 236 H N -1.244 117.819 119.070 -0.013 0.000 2.855 236 H HA 0.757 5.313 4.556 0.001 0.000 0.363 236 H C -1.372 173.948 175.328 -0.014 0.000 1.185 236 H CA -1.394 54.648 56.048 -0.009 0.000 1.174 236 H CB 1.954 31.701 29.762 -0.025 0.000 1.857 236 H HN 0.185 nan 8.280 nan 0.000 0.565 237 V N 0.095 120.080 119.914 0.119 0.000 3.114 237 V HA 0.585 4.706 4.120 0.001 0.000 0.308 237 V C -0.957 175.105 176.094 -0.055 0.000 1.168 237 V CA -0.942 61.382 62.300 0.041 0.000 1.015 237 V CB 1.979 33.841 31.823 0.064 0.000 1.050 237 V HN 0.914 nan 8.190 nan 0.000 0.433 238 A N 2.045 124.823 122.820 -0.071 0.000 2.360 238 A HA 0.740 5.060 4.320 0.001 0.000 0.309 238 A C -0.366 177.158 177.584 -0.100 0.000 1.311 238 A CA -0.462 51.486 52.037 -0.148 0.000 0.805 238 A CB 0.390 19.299 19.000 -0.152 0.000 1.144 238 A HN 0.824 nan 8.150 nan 0.000 0.486 239 E N 1.140 121.275 120.200 -0.108 0.000 2.254 239 E HA 0.613 4.964 4.350 0.001 0.000 0.261 239 E C -1.042 175.537 176.600 -0.035 0.000 1.051 239 E CA -0.678 55.706 56.400 -0.026 0.000 0.902 239 E CB 1.890 31.630 29.700 0.067 0.000 1.168 239 E HN 0.483 nan 8.360 nan 0.000 0.423 240 I N 1.734 122.305 120.570 0.002 0.000 2.710 240 I HA 0.097 4.267 4.170 0.001 0.000 0.283 240 I C -1.432 174.693 176.117 0.012 0.000 1.355 240 I CA -0.275 61.034 61.300 0.016 0.000 1.094 240 I CB 1.270 39.309 38.000 0.066 0.000 1.365 240 I HN 0.543 nan 8.210 nan 0.000 0.435 241 R N 4.598 125.099 120.500 0.003 0.000 2.248 241 R HA 0.363 4.704 4.340 0.001 0.000 0.337 241 R C 0.271 176.554 176.300 -0.028 0.000 1.085 241 R CA -0.156 55.942 56.100 -0.003 0.000 0.934 241 R CB 0.742 31.043 30.300 0.000 0.000 1.034 241 R HN 0.671 nan 8.270 nan 0.000 0.465 242 S N 1.390 117.083 115.700 -0.012 0.000 2.541 242 S HA 0.829 5.299 4.470 0.001 0.000 0.283 242 S C -0.345 174.280 174.600 0.041 0.000 1.196 242 S CA -0.818 57.372 58.200 -0.016 0.000 1.062 242 S CB 2.252 65.487 63.200 0.058 0.000 1.009 242 S HN 0.660 nan 8.310 nan 0.000 0.502 243 A N 2.186 125.032 122.820 0.043 0.000 2.582 243 A HA 0.545 4.865 4.320 0.001 0.000 0.297 243 A C -1.065 176.567 177.584 0.081 0.000 1.059 243 A CA -0.949 51.141 52.037 0.088 0.000 0.705 243 A CB 0.627 19.667 19.000 0.068 0.000 1.279 243 A HN 0.843 nan 8.150 nan 0.000 0.404 244 L N 2.209 123.481 121.223 0.081 0.000 2.410 244 L HA 0.201 4.541 4.340 0.001 0.000 0.273 244 L C 1.445 178.342 176.870 0.046 0.000 1.144 244 L CA -0.137 54.734 54.840 0.052 0.000 0.863 244 L CB 0.602 42.663 42.059 0.005 0.000 1.140 244 L HN 0.955 nan 8.230 nan 0.000 0.463 245 E N 2.462 122.693 120.200 0.052 0.000 2.267 245 E HA -0.118 4.233 4.350 0.001 0.000 0.197 245 E C -0.279 176.352 176.600 0.052 0.000 0.998 245 E CA 1.120 57.552 56.400 0.054 0.000 0.830 245 E CB 0.116 29.853 29.700 0.062 0.000 0.751 245 E HN 0.484 nan 8.360 nan 0.000 0.491 246 K N -1.110 119.313 120.400 0.039 0.000 2.561 246 K HA 0.442 4.762 4.320 0.001 0.000 0.254 246 K C -0.993 175.612 176.600 0.007 0.000 0.942 246 K CA -0.146 56.163 56.287 0.036 0.000 0.818 246 K CB 2.422 34.949 32.500 0.044 0.000 1.306 246 K HN 0.089 nan 8.250 nan 0.000 0.435 247 G N 1.485 110.284 108.800 -0.002 0.000 2.992 247 G HA2 0.012 3.973 3.960 0.001 0.000 0.677 247 G HA3 0.012 3.973 3.960 0.001 0.000 0.677 247 G C 0.159 175.005 174.900 -0.090 0.000 1.191 247 G CA 0.230 45.304 45.100 -0.042 0.000 1.178 247 G HN 0.782 nan 8.290 nan 0.000 0.506 248 S N 1.257 116.911 115.700 -0.078 0.000 1.637 248 S HA -0.376 4.095 4.470 0.001 0.000 0.232 248 S C 1.143 175.709 174.600 -0.057 0.000 0.808 248 S CA 2.709 60.847 58.200 -0.103 0.000 1.437 248 S CB -1.213 61.853 63.200 -0.223 0.000 1.838 248 S HN 2.483 nan 8.310 nan 0.000 0.525 249 R N -0.187 120.270 120.500 -0.071 0.000 2.723 249 R HA -0.055 4.286 4.340 0.001 0.000 0.307 249 R C -0.178 176.193 176.300 0.119 0.000 0.973 249 R CA 0.800 56.911 56.100 0.019 0.000 0.669 249 R CB -2.285 28.046 30.300 0.050 0.000 1.790 249 R HN 0.514 nan 8.270 nan 0.000 0.449 250 F N 1.896 121.869 119.950 0.039 0.000 2.490 250 F HA 0.185 4.712 4.527 0.001 0.000 0.336 250 F C 1.771 177.599 175.800 0.045 0.000 1.178 250 F CA -0.156 57.874 58.000 0.050 0.000 1.301 250 F CB 0.604 39.631 39.000 0.045 0.000 1.175 250 F HN 0.281 nan 8.300 nan 0.000 0.593 251 I N 2.212 122.932 120.570 0.249 0.000 2.908 251 I HA 0.044 4.215 4.170 0.001 0.000 0.319 251 I C -0.804 175.352 176.117 0.065 0.000 1.471 251 I CA -0.144 61.232 61.300 0.126 0.000 0.809 251 I CB 0.440 38.499 38.000 0.098 0.000 2.186 251 I HN 0.340 nan 8.210 nan 0.000 0.607 252 S N 0.218 115.943 115.700 0.041 0.000 2.480 252 S HA 0.588 5.058 4.470 0.001 0.000 0.286 252 S C 0.111 174.708 174.600 -0.004 0.000 1.180 252 S CA -0.503 57.690 58.200 -0.011 0.000 1.075 252 S CB 1.488 64.639 63.200 -0.081 0.000 0.996 252 S HN 0.219 nan 8.310 nan 0.000 0.487 253 T N 3.161 117.710 114.554 -0.007 0.000 2.928 253 T HA 0.522 4.872 4.350 0.001 0.000 0.284 253 T C -0.553 174.133 174.700 -0.023 0.000 1.008 253 T CA -0.588 61.508 62.100 -0.006 0.000 1.057 253 T CB 0.892 69.764 68.868 0.005 0.000 1.018 253 T HN 0.589 nan 8.240 nan 0.000 0.493 254 L N 2.699 123.906 121.223 -0.027 0.000 2.319 254 L HA 0.387 4.727 4.340 0.001 0.000 0.281 254 L C -0.474 176.384 176.870 -0.020 0.000 1.005 254 L CA -0.213 54.596 54.840 -0.051 0.000 0.828 254 L CB 1.252 43.252 42.059 -0.097 0.000 1.227 254 L HN 0.578 nan 8.230 nan 0.000 0.415 255 Q N 3.723 123.519 119.800 -0.007 0.000 2.256 255 Q HA 0.594 4.934 4.340 0.001 0.000 0.257 255 Q C -1.270 174.742 176.000 0.021 0.000 0.936 255 Q CA -0.794 55.017 55.803 0.012 0.000 0.903 255 Q CB 2.828 31.582 28.738 0.026 0.000 1.263 255 Q HN 0.440 nan 8.270 nan 0.000 0.440 256 V N 3.692 123.617 119.914 0.018 0.000 2.340 256 V HA 0.213 4.334 4.120 0.001 0.000 0.277 256 V C -0.063 176.056 176.094 0.042 0.000 1.017 256 V CA -0.610 61.706 62.300 0.027 0.000 0.820 256 V CB 0.933 32.753 31.823 -0.005 0.000 1.028 256 V HN 0.674 nan 8.190 nan 0.000 0.436 257 K N 2.886 123.338 120.400 0.086 0.000 2.679 257 K HA 0.616 4.937 4.320 0.001 0.000 0.280 257 K C -0.410 176.260 176.600 0.117 0.000 1.040 257 K CA -0.629 55.719 56.287 0.101 0.000 1.002 257 K CB 0.474 33.065 32.500 0.150 0.000 1.276 257 K HN 0.347 nan 8.250 nan 0.000 0.492 258 L N 0.644 121.949 121.223 0.136 0.000 2.376 258 L HA 0.205 4.545 4.340 0.001 0.000 0.274 258 L C -1.531 175.416 176.870 0.127 0.000 1.418 258 L CA -0.188 54.722 54.840 0.117 0.000 0.658 258 L CB -0.668 41.396 42.059 0.008 0.000 0.914 258 L HN 0.424 nan 8.230 nan 0.000 0.522 259 Y N 1.384 121.679 120.300 -0.010 0.000 3.042 259 Y HA 0.294 4.844 4.550 0.001 0.000 0.350 259 Y C 1.651 177.538 175.900 -0.022 0.000 1.277 259 Y CA 1.646 59.742 58.100 -0.006 0.000 1.472 259 Y CB 0.025 38.489 38.460 0.008 0.000 1.308 259 Y HN 0.809 nan 8.280 nan 0.000 0.659 260 G N 2.174 111.041 108.800 0.113 0.000 3.391 260 G HA2 -0.212 3.749 3.960 0.001 0.000 0.675 260 G HA3 -0.212 3.749 3.960 0.001 0.000 0.675 260 G C -0.163 174.734 174.900 -0.004 0.000 0.899 260 G CA -0.685 44.446 45.100 0.052 0.000 0.755 260 G HN 0.607 nan 8.290 nan 0.000 0.475 261 R N 1.175 121.670 120.500 -0.009 0.000 2.738 261 R HA 0.190 4.531 4.340 0.001 0.000 0.275 261 R C 0.956 177.242 176.300 -0.024 0.000 1.121 261 R CA -0.427 55.661 56.100 -0.020 0.000 1.207 261 R CB 0.414 30.712 30.300 -0.004 0.000 1.141 261 R HN 0.770 nan 8.270 nan 0.000 0.571 262 E N 0.194 120.381 120.200 -0.022 0.000 2.463 262 E HA -0.015 4.336 4.350 0.001 0.000 0.248 262 E C 0.479 177.076 176.600 -0.006 0.000 1.106 262 E CA 0.852 57.241 56.400 -0.018 0.000 0.946 262 E CB -0.175 29.526 29.700 0.002 0.000 0.971 262 E HN 0.715 nan 8.360 nan 0.000 0.478 263 G N 3.301 112.097 108.800 -0.007 0.000 3.141 263 G HA2 -0.315 3.645 3.960 0.001 0.000 0.205 263 G HA3 -0.315 3.645 3.960 0.001 0.000 0.205 263 G C 0.125 175.028 174.900 0.005 0.000 1.924 263 G CA -0.179 44.922 45.100 0.001 0.000 1.573 263 G HN 1.070 nan 8.290 nan 0.000 0.591 264 S N 1.854 117.558 115.700 0.008 0.000 3.116 264 S HA 0.326 4.797 4.470 0.001 0.000 0.367 264 S C 0.881 175.491 174.600 0.017 0.000 1.202 264 S CA 0.943 59.151 58.200 0.014 0.000 1.018 264 S CB -0.056 63.155 63.200 0.018 0.000 0.726 264 S HN 2.238 nan 8.310 nan 0.000 0.506 265 S N 3.042 118.753 115.700 0.018 0.000 2.559 265 S HA 0.413 4.883 4.470 0.001 0.000 0.282 265 S C 0.892 175.507 174.600 0.024 0.000 1.336 265 S CA -0.428 57.783 58.200 0.018 0.000 1.037 265 S CB -0.024 63.186 63.200 0.016 0.000 0.853 265 S HN 2.503 nan 8.310 nan 0.000 0.523 266 A N 1.102 123.935 122.820 0.021 0.000 2.839 266 A HA -0.129 4.191 4.320 0.001 0.000 0.290 266 A C 0.340 177.946 177.584 0.036 0.000 1.436 266 A CA 0.201 52.253 52.037 0.025 0.000 0.731 266 A CB -2.058 16.957 19.000 0.026 0.000 1.068 266 A HN 0.772 nan 8.150 nan 0.000 0.457 267 R N 0.948 121.465 120.500 0.027 0.000 2.612 267 R HA 0.233 4.573 4.340 0.001 0.000 0.273 267 R C 0.711 177.032 176.300 0.035 0.000 1.376 267 R CA 0.775 56.895 56.100 0.033 0.000 1.171 267 R CB 0.239 30.541 30.300 0.002 0.000 1.151 267 R HN 0.717 nan 8.270 nan 0.000 0.560 268 T N 1.444 116.028 114.554 0.050 0.000 2.902 268 T HA 0.484 4.835 4.350 0.001 0.000 0.280 268 T C 0.076 174.809 174.700 0.055 0.000 0.992 268 T CA -0.535 61.579 62.100 0.024 0.000 1.015 268 T CB 0.703 69.549 68.868 -0.037 0.000 1.044 268 T HN 0.205 nan 8.240 nan 0.000 0.520 269 I N 2.296 122.890 120.570 0.039 0.000 2.530 269 I HA 0.608 4.779 4.170 0.001 0.000 0.297 269 I C 0.133 176.277 176.117 0.045 0.000 1.011 269 I CA -0.333 61.009 61.300 0.069 0.000 1.107 269 I CB 2.084 40.121 38.000 0.061 0.000 1.285 269 I HN 0.696 nan 8.210 nan 0.000 0.436 270 K N 2.985 123.437 120.400 0.087 0.000 2.548 270 K HA 0.945 5.266 4.320 0.001 0.000 0.282 270 K C -1.652 175.008 176.600 0.101 0.000 1.006 270 K CA -1.119 55.207 56.287 0.064 0.000 0.892 270 K CB 2.566 35.065 32.500 -0.001 0.000 1.499 270 K HN 0.606 nan 8.250 nan 0.000 0.433 271 A N 0.640 123.507 122.820 0.079 0.000 2.486 271 A HA 0.630 4.951 4.320 0.001 0.000 0.300 271 A C -1.221 176.403 177.584 0.066 0.000 1.048 271 A CA -0.613 51.468 52.037 0.074 0.000 0.696 271 A CB 1.700 20.740 19.000 0.067 0.000 1.278 271 A HN 0.453 nan 8.150 nan 0.000 0.405 272 T N 4.479 119.068 114.554 0.059 0.000 2.756 272 T HA 0.652 5.003 4.350 0.001 0.000 0.290 272 T C -0.693 174.025 174.700 0.029 0.000 0.985 272 T CA -0.230 61.896 62.100 0.044 0.000 0.955 272 T CB -0.013 68.884 68.868 0.048 0.000 0.930 272 T HN 1.103 nan 8.240 nan 0.000 0.451 273 L N 2.265 123.506 121.223 0.029 0.000 3.882 273 L HA 0.594 4.935 4.340 0.001 0.000 0.266 273 L C -3.668 173.228 176.870 0.044 0.000 1.003 273 L CA -1.498 53.357 54.840 0.024 0.000 1.166 273 L CB 1.745 43.798 42.059 -0.010 0.000 1.952 273 L HN 0.407 nan 8.230 nan 0.000 0.567 274 P HA 0.492 nan 4.420 nan 0.000 0.376 274 P C -1.181 176.280 177.300 0.268 0.000 1.586 274 P CA -0.247 62.922 63.100 0.115 0.000 1.454 274 P CB 1.994 33.744 31.700 0.083 0.000 2.567 275 Y N 0.599 120.858 120.300 -0.069 0.000 4.490 275 Y HA -0.201 4.349 4.550 0.001 0.000 0.233 275 Y C 0.965 176.832 175.900 -0.054 0.000 1.101 275 Y CA 0.484 58.564 58.100 -0.032 0.000 2.010 275 Y CB -2.682 35.757 38.460 -0.034 0.000 1.622 275 Y HN 0.269 nan 8.280 nan 0.000 0.675 276 I N -0.475 120.141 120.570 0.077 0.000 4.070 276 I HA -0.019 4.151 4.170 0.001 0.000 0.328 276 I C 1.172 177.286 176.117 -0.005 0.000 1.298 276 I CA 0.326 61.625 61.300 -0.001 0.000 1.173 276 I CB -0.128 37.859 38.000 -0.022 0.000 1.051 276 I HN 0.155 nan 8.210 nan 0.000 0.409 277 K N 0.173 120.580 120.400 0.012 0.000 2.086 277 K HA -0.363 3.957 4.320 0.001 0.000 0.169 277 K C 0.505 177.107 176.600 0.003 0.000 1.526 277 K CA 0.722 57.014 56.287 0.010 0.000 0.602 277 K CB -1.669 30.843 32.500 0.020 0.000 0.605 277 K HN 0.319 nan 8.250 nan 0.000 0.921 278 Q N 2.633 122.437 119.800 0.007 0.000 2.748 278 Q HA -0.139 4.201 4.340 0.001 0.000 0.385 278 Q C -0.501 175.497 176.000 -0.003 0.000 1.156 278 Q CA 1.204 57.016 55.803 0.014 0.000 1.143 278 Q CB 0.085 28.833 28.738 0.016 0.000 1.138 278 Q HN 0.301 nan 8.270 nan 0.000 0.445 279 D N 2.163 122.586 120.400 0.038 0.000 2.319 279 D HA 0.232 4.872 4.640 0.001 0.000 0.235 279 D C -0.236 176.057 176.300 -0.013 0.000 1.304 279 D CA 0.651 54.676 54.000 0.041 0.000 0.894 279 D CB 0.453 41.321 40.800 0.113 0.000 1.183 279 D HN 0.401 nan 8.370 nan 0.000 0.472 280 I N 0.205 120.774 120.570 -0.002 0.000 2.752 280 I HA 0.253 4.424 4.170 0.001 0.000 0.295 280 I C -2.608 173.524 176.117 0.025 0.000 1.219 280 I CA -2.154 59.139 61.300 -0.012 0.000 1.030 280 I CB 2.858 40.822 38.000 -0.060 0.000 1.259 280 I HN 0.150 nan 8.210 nan 0.000 0.423 281 P HA 0.138 nan 4.420 nan 0.000 0.293 281 P C 1.081 178.423 177.300 0.070 0.000 1.313 281 P CA -0.366 62.766 63.100 0.053 0.000 0.787 281 P CB 0.903 32.640 31.700 0.061 0.000 0.910 282 I N 3.381 123.987 120.570 0.059 0.000 2.210 282 I HA -0.321 3.850 4.170 0.001 0.000 0.249 282 I C 1.393 177.593 176.117 0.137 0.000 1.047 282 I CA 2.079 63.407 61.300 0.046 0.000 1.323 282 I CB -2.367 35.686 38.000 0.089 0.000 1.017 282 I HN 0.085 nan 8.210 nan 0.000 0.427 283 V N 1.666 121.703 119.914 0.205 0.000 2.220 283 V HA -0.290 3.830 4.120 0.001 0.000 0.246 283 V C 2.775 179.005 176.094 0.227 0.000 1.049 283 V CA 2.534 64.996 62.300 0.270 0.000 1.003 283 V CB -0.899 31.035 31.823 0.184 0.000 0.634 283 V HN 0.353 nan 8.190 nan 0.000 0.444 284 I N -0.216 120.448 120.570 0.155 0.000 2.315 284 I HA -0.250 3.921 4.170 0.001 0.000 0.251 284 I C 2.211 178.378 176.117 0.084 0.000 1.125 284 I CA 1.479 62.859 61.300 0.133 0.000 1.392 284 I CB -0.704 37.399 38.000 0.173 0.000 1.065 284 I HN 0.220 nan 8.210 nan 0.000 0.424 285 I N -0.625 119.963 120.570 0.030 0.000 2.127 285 I HA -0.346 3.824 4.170 0.001 0.000 0.241 285 I C 2.505 178.588 176.117 -0.057 0.000 1.075 285 I CA 1.713 62.961 61.300 -0.087 0.000 1.334 285 I CB -0.439 37.453 38.000 -0.180 0.000 1.040 285 I HN 0.110 nan 8.210 nan 0.000 0.405 286 F N 0.954 120.899 119.950 -0.009 0.000 2.043 286 F HA -0.327 4.200 4.527 0.001 0.000 0.297 286 F C 2.907 178.700 175.800 -0.011 0.000 1.118 286 F CA 1.544 59.539 58.000 -0.008 0.000 1.202 286 F CB -0.353 38.671 39.000 0.040 0.000 0.965 286 F HN -0.058 nan 8.300 nan 0.000 0.482 287 R N 0.049 120.687 120.500 0.230 0.000 2.080 287 R HA -0.195 4.145 4.340 0.001 0.000 0.236 287 R C 2.303 178.646 176.300 0.072 0.000 1.137 287 R CA 1.379 57.553 56.100 0.123 0.000 0.943 287 R CB -0.913 29.447 30.300 0.100 0.000 0.846 287 R HN 0.310 nan 8.270 nan 0.000 0.431 288 A N 0.736 123.585 122.820 0.048 0.000 2.125 288 A HA -0.091 4.229 4.320 0.001 0.000 0.219 288 A C 1.968 179.532 177.584 -0.033 0.000 1.156 288 A CA 0.917 52.954 52.037 0.000 0.000 0.671 288 A CB -0.294 18.692 19.000 -0.024 0.000 0.794 288 A HN 0.269 nan 8.150 nan 0.000 0.459 289 L N -2.107 119.105 121.223 -0.018 0.000 2.567 289 L HA 0.229 4.569 4.340 0.001 0.000 0.225 289 L C 1.455 178.334 176.870 0.015 0.000 1.119 289 L CA 0.813 55.626 54.840 -0.044 0.000 0.871 289 L CB 0.231 42.253 42.059 -0.062 0.000 1.036 289 L HN 0.569 nan 8.230 nan 0.000 0.459 290 G N 0.481 109.307 108.800 0.043 0.000 2.175 290 G HA2 -0.184 3.776 3.960 0.001 0.000 0.182 290 G HA3 -0.184 3.776 3.960 0.001 0.000 0.182 290 G C -0.271 174.666 174.900 0.062 0.000 1.003 290 G CA -0.356 44.770 45.100 0.044 0.000 0.666 290 G HN 0.137 nan 8.290 nan 0.000 0.506 291 I N 1.896 122.520 120.570 0.090 0.000 2.390 291 I HA 0.469 4.639 4.170 0.001 0.000 0.283 291 I C 1.195 177.347 176.117 0.059 0.000 1.016 291 I CA -0.899 60.446 61.300 0.076 0.000 1.151 291 I CB 1.223 39.267 38.000 0.074 0.000 1.293 291 I HN -0.073 nan 8.210 nan 0.000 0.458 292 I N 5.707 126.300 120.570 0.038 0.000 2.429 292 I HA 0.099 4.269 4.170 0.001 0.000 0.247 292 I C -1.316 174.817 176.117 0.026 0.000 1.099 292 I CA 0.447 61.769 61.300 0.036 0.000 1.422 292 I CB -1.375 36.642 38.000 0.029 0.000 1.112 292 I HN 0.340 nan 8.210 nan 0.000 0.430 293 P HA 0.073 nan 4.420 nan 0.000 0.271 293 P C -0.665 176.628 177.300 -0.011 0.000 1.226 293 P CA -0.038 63.064 63.100 0.004 0.000 0.765 293 P CB 0.553 32.249 31.700 -0.006 0.000 0.835 294 D N 2.051 122.457 120.400 0.010 0.000 2.335 294 D HA 0.142 4.783 4.640 0.001 0.000 0.236 294 D C 1.825 178.110 176.300 -0.025 0.000 1.297 294 D CA 1.130 55.133 54.000 0.005 0.000 0.906 294 D CB -0.393 40.423 40.800 0.027 0.000 1.164 294 D HN 0.659 nan 8.370 nan 0.000 0.469 295 G N -0.051 108.729 108.800 -0.033 0.000 2.451 295 G HA2 -0.455 3.506 3.960 0.001 0.000 0.253 295 G HA3 -0.455 3.506 3.960 0.001 0.000 0.253 295 G C 0.993 175.846 174.900 -0.077 0.000 1.033 295 G CA 1.058 46.131 45.100 -0.044 0.000 0.633 295 G HN 0.614 nan 8.290 nan 0.000 0.537 296 E N -0.084 120.053 120.200 -0.105 0.000 2.276 296 E HA 0.279 4.629 4.350 0.001 0.000 0.193 296 E C 2.553 178.968 176.600 -0.309 0.000 0.983 296 E CA 0.246 56.542 56.400 -0.172 0.000 0.861 296 E CB -0.036 29.589 29.700 -0.125 0.000 0.817 296 E HN 0.621 nan 8.360 nan 0.000 0.485 297 I N 1.127 121.538 120.570 -0.264 0.000 2.163 297 I HA -0.257 3.913 4.170 0.001 0.000 0.240 297 I C 2.075 177.990 176.117 -0.337 0.000 1.081 297 I CA 0.653 61.680 61.300 -0.456 0.000 1.353 297 I CB -0.118 37.692 38.000 -0.316 0.000 1.054 297 I HN 0.263 nan 8.210 nan 0.000 0.407 298 L N 0.535 121.667 121.223 -0.151 0.000 2.197 298 L HA -0.245 4.095 4.340 0.001 0.000 0.215 298 L C 2.528 179.388 176.870 -0.017 0.000 1.095 298 L CA 1.751 56.562 54.840 -0.048 0.000 0.764 298 L CB -1.256 40.791 42.059 -0.020 0.000 0.897 298 L HN 0.406 nan 8.230 nan 0.000 0.436 299 E N -0.683 119.454 120.200 -0.106 0.000 2.031 299 E HA -0.201 4.150 4.350 0.001 0.000 0.193 299 E C 2.017 178.677 176.600 0.099 0.000 0.994 299 E CA 0.993 57.366 56.400 -0.045 0.000 0.800 299 E CB -0.256 29.309 29.700 -0.225 0.000 0.752 299 E HN 0.603 nan 8.360 nan 0.000 0.447 300 H N 0.142 119.222 119.070 0.018 0.000 2.489 300 H HA -0.023 4.534 4.556 0.001 0.000 0.293 300 H C 2.161 177.760 175.328 0.451 0.000 1.066 300 H CA 0.769 56.872 56.048 0.091 0.000 1.305 300 H CB 0.068 29.644 29.762 -0.311 0.000 1.386 300 H HN 0.201 nan 8.280 nan 0.000 0.551 301 I N -0.472 120.305 120.570 0.344 0.000 2.594 301 I HA -0.080 4.091 4.170 0.001 0.000 0.237 301 I C 1.085 177.183 176.117 -0.033 0.000 1.071 301 I CA 0.257 61.674 61.300 0.195 0.000 1.427 301 I CB 0.288 38.389 38.000 0.168 0.000 1.218 301 I HN 0.101 nan 8.210 nan 0.000 0.444 302 C N 1.757 121.090 119.300 0.055 0.000 2.303 302 C HA 0.238 4.699 4.460 0.001 0.000 0.341 302 C C 0.907 176.048 174.990 0.252 0.000 1.244 302 C CA -0.455 58.581 59.018 0.030 0.000 1.765 302 C CB -1.237 26.531 27.740 0.046 0.000 2.379 302 C HN 0.419 nan 8.230 nan 0.000 0.530 303 Y N 3.851 124.271 120.300 0.201 0.000 2.547 303 Y HA 0.251 4.801 4.550 0.001 0.000 0.325 303 Y C 0.991 176.996 175.900 0.175 0.000 1.165 303 Y CA -0.402 57.838 58.100 0.233 0.000 1.300 303 Y CB -0.004 38.636 38.460 0.301 0.000 1.126 303 Y HN 0.707 nan 8.280 nan 0.000 0.513 304 D N -0.115 120.441 120.400 0.260 0.000 2.301 304 D HA 0.016 4.656 4.640 0.001 0.000 0.203 304 D C 0.040 176.408 176.300 0.113 0.000 1.300 304 D CA -0.090 54.015 54.000 0.175 0.000 0.899 304 D CB 1.431 42.327 40.800 0.160 0.000 1.597 304 D HN -0.035 nan 8.370 nan 0.000 0.538 305 V N 2.817 122.772 119.914 0.069 0.000 3.440 305 V HA -0.052 4.069 4.120 0.001 0.000 0.274 305 V C 1.051 177.187 176.094 0.070 0.000 1.207 305 V CA 0.774 63.094 62.300 0.035 0.000 1.183 305 V CB -0.925 30.867 31.823 -0.050 0.000 0.837 305 V HN 0.432 nan 8.190 nan 0.000 0.532 306 N N 1.166 119.924 118.700 0.098 0.000 2.610 306 N HA 0.147 4.888 4.740 0.001 0.000 0.309 306 N C -0.048 175.573 175.510 0.186 0.000 1.536 306 N CA 0.085 53.221 53.050 0.142 0.000 0.954 306 N CB 0.617 39.172 38.487 0.114 0.000 1.310 306 N HN 0.361 nan 8.380 nan 0.000 0.502 307 D N 0.636 121.129 120.400 0.156 0.000 2.945 307 D HA 0.026 4.666 4.640 0.001 0.000 0.369 307 D C 1.475 177.758 176.300 -0.028 0.000 1.294 307 D CA -0.519 53.504 54.000 0.038 0.000 0.778 307 D CB 0.018 40.814 40.800 -0.006 0.000 1.188 307 D HN 0.208 nan 8.370 nan 0.000 0.479 308 W N 0.869 122.172 121.300 0.005 0.000 2.276 308 W HA -0.280 4.380 4.660 0.001 0.000 0.307 308 W C 1.234 177.754 176.519 0.001 0.000 1.240 308 W CA 0.617 57.962 57.345 0.001 0.000 1.249 308 W CB -1.070 28.389 29.460 -0.002 0.000 1.140 308 W HN 0.208 nan 8.180 nan 0.000 0.519 309 Q N 0.578 119.849 119.800 -0.881 0.000 1.956 309 Q HA -0.269 4.071 4.340 0.001 0.000 0.208 309 Q C 2.499 178.321 176.000 -0.298 0.000 0.998 309 Q CA 2.606 57.969 55.803 -0.733 0.000 0.855 309 Q CB -0.788 27.446 28.738 -0.841 0.000 0.928 309 Q HN 0.446 nan 8.270 nan 0.000 0.418 310 M N 0.601 120.058 119.600 -0.238 0.000 2.073 310 M HA -0.246 4.235 4.480 0.001 0.000 0.258 310 M C 2.114 178.376 176.300 -0.062 0.000 1.070 310 M CA 1.597 56.823 55.300 -0.123 0.000 1.103 310 M CB -0.165 32.378 32.600 -0.095 0.000 1.321 310 M HN 0.182 nan 8.290 nan 0.000 0.405 311 L N -0.139 121.066 121.223 -0.030 0.000 1.990 311 L HA -0.265 4.076 4.340 0.001 0.000 0.213 311 L C 2.512 179.395 176.870 0.023 0.000 1.072 311 L CA 1.896 56.747 54.840 0.018 0.000 0.755 311 L CB -1.064 41.031 42.059 0.060 0.000 0.889 311 L HN 0.368 nan 8.230 nan 0.000 0.432 312 E N 0.144 120.364 120.200 0.035 0.000 2.136 312 E HA -0.280 4.071 4.350 0.001 0.000 0.202 312 E C 2.198 178.805 176.600 0.012 0.000 1.019 312 E CA 1.759 58.186 56.400 0.046 0.000 0.819 312 E CB -0.129 29.611 29.700 0.067 0.000 0.739 312 E HN 0.210 nan 8.360 nan 0.000 0.458 313 M N -0.272 119.317 119.600 -0.019 0.000 2.088 313 M HA -0.214 4.267 4.480 0.001 0.000 0.256 313 M C 2.403 178.705 176.300 0.003 0.000 1.071 313 M CA 1.519 56.806 55.300 -0.020 0.000 1.097 313 M CB -1.149 31.427 32.600 -0.039 0.000 1.315 313 M HN 0.233 nan 8.290 nan 0.000 0.406 314 L N -0.756 120.474 121.223 0.012 0.000 2.362 314 L HA -0.174 4.167 4.340 0.001 0.000 0.219 314 L C 2.438 179.326 176.870 0.030 0.000 1.134 314 L CA 0.570 55.427 54.840 0.029 0.000 0.807 314 L CB -0.618 41.464 42.059 0.038 0.000 0.927 314 L HN 0.335 nan 8.230 nan 0.000 0.447 315 K N 0.749 121.163 120.400 0.023 0.000 1.987 315 K HA -0.180 4.140 4.320 0.001 0.000 0.216 315 K C -0.319 176.290 176.600 0.015 0.000 1.051 315 K CA 1.901 58.199 56.287 0.017 0.000 0.942 315 K CB -1.364 31.145 32.500 0.016 0.000 0.722 315 K HN 0.277 nan 8.250 nan 0.000 0.444 316 P HA -0.181 nan 4.420 nan 0.000 0.221 316 P C 1.510 178.823 177.300 0.023 0.000 1.145 316 P CA 1.194 64.302 63.100 0.013 0.000 0.795 316 P CB -0.127 31.581 31.700 0.012 0.000 0.775 317 C N -0.424 118.894 119.300 0.031 0.000 2.446 317 C HA -0.077 4.384 4.460 0.001 0.000 0.277 317 C C 2.841 177.867 174.990 0.061 0.000 1.275 317 C CA 0.711 59.756 59.018 0.045 0.000 1.727 317 C CB -1.449 26.324 27.740 0.055 0.000 2.010 317 C HN 0.073 nan 8.230 nan 0.000 0.486 318 V N 0.676 120.624 119.914 0.058 0.000 2.283 318 V HA -0.172 3.949 4.120 0.001 0.000 0.243 318 V C 2.291 178.436 176.094 0.085 0.000 1.039 318 V CA 2.132 64.475 62.300 0.073 0.000 1.016 318 V CB -0.915 30.938 31.823 0.050 0.000 0.650 318 V HN 0.556 nan 8.190 nan 0.000 0.449 319 E N -0.018 120.210 120.200 0.047 0.000 2.284 319 E HA -0.310 4.041 4.350 0.001 0.000 0.200 319 E C 1.754 178.416 176.600 0.104 0.000 1.008 319 E CA 1.522 57.951 56.400 0.049 0.000 0.829 319 E CB -0.180 29.519 29.700 -0.003 0.000 0.744 319 E HN 0.630 nan 8.360 nan 0.000 0.491 320 D N -0.552 119.896 120.400 0.080 0.000 2.213 320 D HA -0.036 4.604 4.640 0.001 0.000 0.205 320 D C 1.873 178.221 176.300 0.081 0.000 0.961 320 D CA 1.112 55.150 54.000 0.064 0.000 0.853 320 D CB -0.023 40.797 40.800 0.032 0.000 0.967 320 D HN 0.161 nan 8.370 nan 0.000 0.496 321 G N -1.032 107.835 108.800 0.111 0.000 3.042 321 G HA2 -0.117 3.843 3.960 0.001 0.000 0.212 321 G HA3 -0.117 3.843 3.960 0.001 0.000 0.212 321 G C 1.105 176.082 174.900 0.127 0.000 1.166 321 G CA -0.212 44.954 45.100 0.109 0.000 0.767 321 G HN 0.246 nan 8.290 nan 0.000 0.546 322 F N 1.952 121.905 119.950 0.004 0.000 2.192 322 F HA -0.159 4.368 4.527 0.001 0.000 0.301 322 F C 2.367 178.158 175.800 -0.015 0.000 1.079 322 F CA 1.139 59.138 58.000 -0.003 0.000 1.303 322 F CB -0.190 38.806 39.000 -0.006 0.000 1.024 322 F HN 0.024 nan 8.300 nan 0.000 0.494 323 V N 0.305 120.107 119.914 -0.185 0.000 2.287 323 V HA -0.220 3.900 4.120 0.001 0.000 0.248 323 V C 1.388 177.320 176.094 -0.270 0.000 1.053 323 V CA 1.149 63.268 62.300 -0.302 0.000 1.027 323 V CB -0.824 30.881 31.823 -0.196 0.000 0.646 323 V HN 0.076 nan 8.190 nan 0.000 0.447 324 I N -0.698 119.780 120.570 -0.153 0.000 2.713 324 I HA 0.347 4.518 4.170 0.001 0.000 0.300 324 I C 0.727 176.797 176.117 -0.078 0.000 1.009 324 I CA 0.602 61.847 61.300 -0.091 0.000 1.305 324 I CB 1.343 39.338 38.000 -0.007 0.000 1.430 324 I HN 0.120 nan 8.210 nan 0.000 0.546 325 Q N 1.521 121.291 119.800 -0.051 0.000 1.818 325 Q HA 0.135 4.476 4.340 0.001 0.000 0.183 325 Q C -1.648 174.350 176.000 -0.003 0.000 0.734 325 Q CA -0.083 55.704 55.803 -0.028 0.000 0.833 325 Q CB 0.544 29.242 28.738 -0.067 0.000 1.217 325 Q HN 0.749 nan 8.270 nan 0.000 0.401 326 D N -1.690 118.710 120.400 -0.001 0.000 2.732 326 D HA 0.226 4.867 4.640 0.001 0.000 0.229 326 D C 0.246 176.557 176.300 0.018 0.000 1.152 326 D CA -0.652 53.353 54.000 0.008 0.000 0.854 326 D CB 1.134 41.933 40.800 -0.000 0.000 1.590 326 D HN 0.027 nan 8.370 nan 0.000 0.468 327 R N 0.952 121.465 120.500 0.021 0.000 2.119 327 R HA -0.214 4.127 4.340 0.001 0.000 0.246 327 R C 1.504 177.817 176.300 0.021 0.000 1.146 327 R CA 1.966 58.079 56.100 0.022 0.000 0.962 327 R CB 0.061 30.372 30.300 0.018 0.000 0.863 327 R HN 0.620 nan 8.270 nan 0.000 0.442 328 E N -0.868 119.343 120.200 0.018 0.000 2.012 328 E HA -0.208 4.142 4.350 0.001 0.000 0.211 328 E C 1.792 178.409 176.600 0.029 0.000 1.029 328 E CA 2.281 58.693 56.400 0.020 0.000 0.867 328 E CB -0.234 29.474 29.700 0.014 0.000 0.790 328 E HN 0.359 nan 8.360 nan 0.000 0.482 329 T N 1.043 115.611 114.554 0.025 0.000 2.918 329 T HA -0.179 4.172 4.350 0.001 0.000 0.271 329 T C 1.649 176.390 174.700 0.067 0.000 1.104 329 T CA 0.872 62.993 62.100 0.035 0.000 1.114 329 T CB -0.238 68.633 68.868 0.004 0.000 0.855 329 T HN 0.296 nan 8.240 nan 0.000 0.518 330 A N 1.519 124.373 122.820 0.057 0.000 1.845 330 A HA -0.009 4.311 4.320 0.001 0.000 0.215 330 A C 2.090 179.720 177.584 0.077 0.000 1.195 330 A CA 1.287 53.369 52.037 0.075 0.000 0.616 330 A CB -0.748 18.282 19.000 0.050 0.000 0.832 330 A HN 0.397 nan 8.150 nan 0.000 0.443 331 L N 0.019 121.268 121.223 0.042 0.000 2.217 331 L HA -0.092 4.248 4.340 0.001 0.000 0.211 331 L C 2.009 178.908 176.870 0.048 0.000 1.107 331 L CA 1.944 56.797 54.840 0.022 0.000 0.783 331 L CB -0.779 41.285 42.059 0.007 0.000 0.919 331 L HN 0.535 nan 8.230 nan 0.000 0.442 332 D N -0.483 119.964 120.400 0.078 0.000 2.149 332 D HA -0.276 4.365 4.640 0.001 0.000 0.198 332 D C 1.112 177.514 176.300 0.169 0.000 0.990 332 D CA 0.712 54.772 54.000 0.101 0.000 0.839 332 D CB -0.046 40.807 40.800 0.088 0.000 0.948 332 D HN 0.152 nan 8.370 nan 0.000 0.460 333 F N 1.608 121.559 119.950 0.002 0.000 2.659 333 F HA 0.281 4.808 4.527 0.001 0.000 0.360 333 F C -0.638 175.164 175.800 0.002 0.000 1.218 333 F CA -0.589 57.412 58.000 0.003 0.000 1.317 333 F CB -0.470 38.528 39.000 -0.003 0.000 1.697 333 F HN -0.078 nan 8.300 nan 0.000 0.637 334 I N 2.881 123.385 120.570 -0.110 0.000 2.743 334 I HA 0.212 4.383 4.170 0.001 0.000 0.268 334 I C 0.283 176.369 176.117 -0.052 0.000 1.441 334 I CA -0.159 61.029 61.300 -0.187 0.000 0.912 334 I CB 0.482 38.397 38.000 -0.140 0.000 1.410 334 I HN 0.350 nan 8.210 nan 0.000 0.540 346 E N -0.245 119.976 120.200 0.035 0.000 4.609 346 E HA -0.429 3.922 4.350 0.001 0.000 0.178 346 E C 1.144 177.767 176.600 0.039 0.000 1.274 346 E CA 2.331 58.751 56.400 0.032 0.000 2.344 346 E CB -1.116 28.598 29.700 0.024 0.000 1.833 346 E HN 0.680 nan 8.360 nan 0.000 0.404 347 K N 1.584 122.005 120.400 0.035 0.000 1.991 347 K HA -0.189 4.132 4.320 0.001 0.000 0.212 347 K C 2.072 178.712 176.600 0.066 0.000 1.049 347 K CA 2.137 58.445 56.287 0.036 0.000 0.932 347 K CB -0.545 31.965 32.500 0.017 0.000 0.717 347 K HN 0.379 nan 8.250 nan 0.000 0.441 348 R N 0.610 121.157 120.500 0.079 0.000 2.341 348 R HA -0.020 4.320 4.340 0.001 0.000 0.213 348 R C 1.549 177.918 176.300 0.114 0.000 1.082 348 R CA 1.021 57.197 56.100 0.126 0.000 1.017 348 R CB -0.515 29.854 30.300 0.116 0.000 0.860 348 R HN 0.162 nan 8.270 nan 0.000 0.473 349 I N 0.873 121.492 120.570 0.082 0.000 2.500 349 I HA -0.116 4.054 4.170 0.001 0.000 0.252 349 I C 2.464 178.620 176.117 0.065 0.000 1.142 349 I CA 1.159 62.496 61.300 0.063 0.000 1.451 349 I CB -0.346 37.682 38.000 0.047 0.000 1.093 349 I HN 0.142 nan 8.210 nan 0.000 0.430 350 Q N -0.282 119.569 119.800 0.085 0.000 2.013 350 Q HA -0.183 4.157 4.340 0.001 0.000 0.195 350 Q C 2.178 178.256 176.000 0.131 0.000 0.974 350 Q CA 1.348 57.204 55.803 0.089 0.000 0.826 350 Q CB -0.749 28.038 28.738 0.082 0.000 0.895 350 Q HN 0.425 nan 8.270 nan 0.000 0.448 351 Y N 0.612 120.920 120.300 0.013 0.000 2.265 351 Y HA -0.360 4.191 4.550 0.001 0.000 0.280 351 Y C 1.711 177.615 175.900 0.006 0.000 1.222 351 Y CA 1.739 59.847 58.100 0.013 0.000 1.226 351 Y CB -0.790 37.681 38.460 0.019 0.000 0.968 351 Y HN 0.206 nan 8.280 nan 0.000 0.540 352 A N -0.255 122.558 122.820 -0.011 0.000 1.843 352 A HA -0.105 4.216 4.320 0.001 0.000 0.213 352 A C 2.327 179.863 177.584 -0.079 0.000 1.202 352 A CA 1.393 53.362 52.037 -0.113 0.000 0.607 352 A CB -0.549 18.414 19.000 -0.061 0.000 0.847 352 A HN 0.422 nan 8.150 nan 0.000 0.445 353 K N 0.006 120.391 120.400 -0.025 0.000 2.000 353 K HA -0.230 4.090 4.320 0.001 0.000 0.218 353 K C 1.741 178.330 176.600 -0.017 0.000 1.053 353 K CA 1.935 58.211 56.287 -0.018 0.000 0.946 353 K CB -0.505 32.000 32.500 0.008 0.000 0.723 353 K HN 0.488 nan 8.250 nan 0.000 0.446 354 D N 0.794 121.198 120.400 0.006 0.000 2.126 354 D HA -0.215 4.425 4.640 0.001 0.000 0.190 354 D C 1.933 178.225 176.300 -0.014 0.000 1.001 354 D CA 1.401 55.410 54.000 0.015 0.000 0.841 354 D CB -0.382 40.447 40.800 0.047 0.000 0.949 354 D HN 0.257 nan 8.370 nan 0.000 0.446 355 I N 0.610 121.138 120.570 -0.070 0.000 2.502 355 I HA -0.229 3.941 4.170 0.001 0.000 0.258 355 I C 1.883 177.990 176.117 -0.016 0.000 1.172 355 I CA 0.588 61.822 61.300 -0.109 0.000 1.430 355 I CB -0.086 37.774 38.000 -0.234 0.000 1.086 355 I HN -0.032 nan 8.210 nan 0.000 0.440 356 L N -0.307 120.901 121.223 -0.024 0.000 2.629 356 L HA 0.029 4.370 4.340 0.001 0.000 0.230 356 L C 1.607 178.503 176.870 0.043 0.000 1.151 356 L CA 0.266 55.092 54.840 -0.024 0.000 0.924 356 L CB -0.030 41.934 42.059 -0.158 0.000 1.137 356 L HN 0.271 nan 8.230 nan 0.000 0.457 357 Q N -1.555 118.285 119.800 0.066 0.000 2.570 357 Q HA 0.102 4.443 4.340 0.001 0.000 0.222 357 Q C 1.605 177.656 176.000 0.085 0.000 0.769 357 Q CA -0.147 55.702 55.803 0.077 0.000 0.934 357 Q CB 0.349 29.120 28.738 0.055 0.000 1.309 357 Q HN 0.151 nan 8.270 nan 0.000 0.565 358 K N 0.649 121.093 120.400 0.073 0.000 2.243 358 K HA 0.013 4.333 4.320 0.001 0.000 0.201 358 K C 1.232 177.928 176.600 0.161 0.000 1.051 358 K CA 0.941 57.292 56.287 0.107 0.000 0.970 358 K CB 0.409 32.967 32.500 0.097 0.000 0.755 358 K HN 0.166 nan 8.250 nan 0.000 0.465 359 E N -0.458 119.773 120.200 0.052 0.000 2.421 359 E HA 0.045 4.395 4.350 0.001 0.000 0.209 359 E C -0.076 176.525 176.600 0.003 0.000 0.871 359 E CA -0.223 56.143 56.400 -0.057 0.000 1.064 359 E CB 0.248 29.755 29.700 -0.321 0.000 1.075 359 E HN 0.054 nan 8.360 nan 0.000 0.513 360 F N 2.781 122.700 119.950 -0.053 0.000 2.467 360 F HA 0.126 4.653 4.527 0.001 0.000 0.362 360 F C 0.808 176.612 175.800 0.006 0.000 1.090 360 F CA -0.758 57.226 58.000 -0.027 0.000 1.202 360 F CB 0.543 39.522 39.000 -0.035 0.000 1.113 360 F HN -0.133 nan 8.300 nan 0.000 0.541 361 L N 9.153 130.016 121.223 -0.600 0.000 4.060 361 L HA -0.228 4.112 4.340 0.001 0.000 0.467 361 L C -1.453 175.389 176.870 -0.048 0.000 1.157 361 L CA 0.224 54.882 54.840 -0.304 0.000 0.719 361 L CB -1.204 40.656 42.059 -0.331 0.000 1.606 361 L HN 0.619 nan 8.230 nan 0.000 0.822 362 P HA -0.228 nan 4.420 nan 0.000 0.218 362 P C 0.690 178.029 177.300 0.065 0.000 1.150 362 P CA 1.889 65.043 63.100 0.091 0.000 0.841 362 P CB -0.494 31.319 31.700 0.189 0.000 0.784 363 H N -0.678 118.371 119.070 -0.033 0.000 2.607 363 H HA 0.221 4.777 4.556 0.001 0.000 0.367 363 H C 1.372 176.628 175.328 -0.120 0.000 1.181 363 H CA 0.044 56.056 56.048 -0.059 0.000 1.402 363 H CB 1.085 30.815 29.762 -0.052 0.000 1.474 363 H HN 0.036 nan 8.280 nan 0.000 0.596 364 I N -0.575 119.803 120.570 -0.319 0.000 4.472 364 I HA -0.303 3.867 4.170 0.001 0.000 0.065 364 I C -0.314 175.610 176.117 -0.321 0.000 0.593 364 I CA 1.249 62.303 61.300 -0.411 0.000 1.030 364 I CB -1.159 36.481 38.000 -0.601 0.000 1.268 364 I HN 0.774 nan 8.210 nan 0.000 0.212 365 T N 0.679 115.070 114.554 -0.273 0.000 3.841 365 T HA 0.200 4.551 4.350 0.001 0.000 0.428 365 T C -0.610 174.015 174.700 -0.126 0.000 1.447 365 T CA -0.476 61.465 62.100 -0.265 0.000 1.135 365 T CB 1.613 70.137 68.868 -0.573 0.000 1.389 365 T HN 0.288 nan 8.240 nan 0.000 0.461 366 Q N 2.659 122.419 119.800 -0.067 0.000 2.220 366 Q HA 0.349 4.690 4.340 0.001 0.000 0.205 366 Q C 0.981 176.990 176.000 0.015 0.000 0.865 366 Q CA -0.056 55.748 55.803 0.001 0.000 0.960 366 Q CB 0.387 29.133 28.738 0.012 0.000 1.097 366 Q HN 0.565 nan 8.270 nan 0.000 0.493 367 L N -0.371 120.852 121.223 0.001 0.000 2.656 367 L HA 0.119 4.459 4.340 0.001 0.000 0.149 367 L C 1.397 178.353 176.870 0.145 0.000 1.500 367 L CA 0.183 55.068 54.840 0.075 0.000 2.484 367 L CB 0.105 42.226 42.059 0.103 0.000 2.776 367 L HN 0.095 nan 8.230 nan 0.000 0.674 368 E N -0.610 119.737 120.200 0.245 0.000 3.203 368 E HA 0.081 4.432 4.350 0.001 0.000 0.200 368 E C 1.243 177.959 176.600 0.193 0.000 1.089 368 E CA 0.374 56.886 56.400 0.187 0.000 1.430 368 E CB 0.205 29.966 29.700 0.101 0.000 1.328 368 E HN 0.657 nan 8.360 nan 0.000 0.580 369 G N 0.976 109.829 108.800 0.090 0.000 3.266 369 G HA2 0.053 4.014 3.960 0.001 0.000 0.238 369 G HA3 0.053 4.014 3.960 0.001 0.000 0.238 369 G C -0.321 174.193 174.900 -0.643 0.000 1.076 369 G CA 0.257 45.207 45.100 -0.249 0.000 1.804 369 G HN 0.043 nan 8.290 nan 0.000 0.600 370 F N -0.964 118.990 119.950 0.007 0.000 2.733 370 F HA 0.300 4.827 4.527 0.001 0.000 0.380 370 F C 1.043 176.852 175.800 0.015 0.000 1.324 370 F CA -0.779 57.227 58.000 0.010 0.000 1.178 370 F CB 0.841 39.842 39.000 0.002 0.000 1.093 370 F HN 0.050 nan 8.300 nan 0.000 0.512 371 E N 0.260 120.519 120.200 0.098 0.000 2.396 371 E HA -0.137 4.213 4.350 0.001 0.000 0.200 371 E C 2.068 178.714 176.600 0.077 0.000 1.023 371 E CA 1.456 57.895 56.400 0.064 0.000 0.857 371 E CB -0.094 29.620 29.700 0.023 0.000 0.775 371 E HN 0.432 nan 8.360 nan 0.000 0.525 372 S N -0.756 115.007 115.700 0.104 0.000 2.412 372 S HA 0.076 4.546 4.470 0.001 0.000 0.223 372 S C 1.931 176.666 174.600 0.224 0.000 1.048 372 S CA 0.017 58.301 58.200 0.139 0.000 0.954 372 S CB 0.002 63.284 63.200 0.138 0.000 0.840 372 S HN 0.061 nan 8.310 nan 0.000 0.503 373 R N 1.619 122.253 120.500 0.223 0.000 2.062 373 R HA 0.108 4.449 4.340 0.001 0.000 0.231 373 R C 2.432 178.893 176.300 0.268 0.000 1.136 373 R CA 1.433 57.663 56.100 0.216 0.000 0.948 373 R CB -0.268 30.121 30.300 0.148 0.000 0.845 373 R HN 0.371 nan 8.270 nan 0.000 0.430 374 K N 0.068 120.596 120.400 0.213 0.000 2.160 374 K HA -0.168 4.153 4.320 0.001 0.000 0.206 374 K C 2.014 178.809 176.600 0.326 0.000 1.047 374 K CA 1.462 57.903 56.287 0.256 0.000 0.930 374 K CB -0.117 32.519 32.500 0.227 0.000 0.720 374 K HN 0.194 nan 8.250 nan 0.000 0.450 375 A N 0.283 123.237 122.820 0.223 0.000 1.929 375 A HA -0.079 4.241 4.320 0.001 0.000 0.216 375 A C 1.840 179.573 177.584 0.248 0.000 1.176 375 A CA 0.967 53.099 52.037 0.159 0.000 0.628 375 A CB -0.503 18.501 19.000 0.007 0.000 0.816 375 A HN 0.226 nan 8.150 nan 0.000 0.444 376 F N -2.125 117.999 119.950 0.290 0.000 2.407 376 F HA 0.015 4.542 4.527 0.001 0.000 0.299 376 F C 1.822 178.108 175.800 0.811 0.000 1.097 376 F CA 0.747 59.052 58.000 0.508 0.000 1.422 376 F CB -0.079 39.107 39.000 0.310 0.000 1.067 376 F HN 0.324 nan 8.300 nan 0.000 0.539 377 F N -0.142 120.221 119.950 0.689 0.000 2.098 377 F HA -0.147 4.381 4.527 0.001 0.000 0.294 377 F C 2.244 178.323 175.800 0.466 0.000 1.107 377 F CA 0.998 59.367 58.000 0.615 0.000 1.234 377 F CB -0.763 38.507 39.000 0.451 0.000 1.002 377 F HN -0.114 nan 8.300 nan 0.000 0.472 378 L N 0.682 122.203 121.223 0.497 0.000 2.089 378 L HA -0.144 4.196 4.340 0.001 0.000 0.213 378 L C 2.206 179.193 176.870 0.195 0.000 1.079 378 L CA 2.308 57.296 54.840 0.247 0.000 0.758 378 L CB -1.641 40.469 42.059 0.085 0.000 0.891 378 L HN 0.221 nan 8.230 nan 0.000 0.433 379 G N -1.832 107.197 108.800 0.381 0.000 2.414 379 G HA2 -0.359 3.602 3.960 0.001 0.000 0.215 379 G HA3 -0.359 3.602 3.960 0.001 0.000 0.215 379 G C 1.547 176.611 174.900 0.273 0.000 1.188 379 G CA 0.720 46.084 45.100 0.439 0.000 0.783 379 G HN 0.544 nan 8.290 nan 0.000 0.537 380 Y N 1.161 121.575 120.300 0.190 0.000 2.241 380 Y HA -0.145 4.405 4.550 0.001 0.000 0.286 380 Y C 2.715 178.507 175.900 -0.180 0.000 1.166 380 Y CA 1.657 59.725 58.100 -0.053 0.000 1.203 380 Y CB -0.156 38.166 38.460 -0.231 0.000 0.977 380 Y HN 0.156 nan 8.280 nan 0.000 0.529 381 M N -0.723 118.682 119.600 -0.325 0.000 2.081 381 M HA -0.163 4.318 4.480 0.001 0.000 0.261 381 M C 2.211 178.350 176.300 -0.268 0.000 1.075 381 M CA 1.774 56.828 55.300 -0.410 0.000 1.133 381 M CB -0.523 31.943 32.600 -0.223 0.000 1.330 381 M HN 0.214 nan 8.290 nan 0.000 0.414 382 I N 0.643 121.148 120.570 -0.110 0.000 2.236 382 I HA -0.354 3.816 4.170 0.001 0.000 0.249 382 I C 2.115 178.172 176.117 -0.100 0.000 1.102 382 I CA 1.404 62.670 61.300 -0.056 0.000 1.365 382 I CB -0.830 37.198 38.000 0.046 0.000 1.051 382 I HN 0.437 nan 8.210 nan 0.000 0.420 383 N N 1.205 119.816 118.700 -0.148 0.000 2.022 383 N HA -0.194 4.547 4.740 0.001 0.000 0.194 383 N C 1.986 177.365 175.510 -0.218 0.000 1.057 383 N CA 1.468 54.405 53.050 -0.188 0.000 0.849 383 N CB -0.054 38.280 38.487 -0.254 0.000 1.044 383 N HN 0.014 nan 8.380 nan 0.000 0.424 384 R N 0.268 120.561 120.500 -0.345 0.000 2.165 384 R HA -0.216 4.125 4.340 0.001 0.000 0.254 384 R C 2.231 178.397 176.300 -0.223 0.000 1.153 384 R CA 1.337 57.232 56.100 -0.341 0.000 0.971 384 R CB -1.502 28.480 30.300 -0.530 0.000 0.878 384 R HN 0.424 nan 8.270 nan 0.000 0.449 385 L N 1.019 122.125 121.223 -0.195 0.000 1.990 385 L HA -0.202 4.138 4.340 0.001 0.000 0.213 385 L C 2.382 179.218 176.870 -0.058 0.000 1.072 385 L CA 1.689 56.463 54.840 -0.111 0.000 0.755 385 L CB -0.426 41.584 42.059 -0.082 0.000 0.889 385 L HN 0.108 nan 8.230 nan 0.000 0.432 386 L N -1.433 119.747 121.223 -0.070 0.000 1.994 386 L HA -0.253 4.087 4.340 0.001 0.000 0.208 386 L C 2.516 179.356 176.870 -0.050 0.000 1.071 386 L CA 1.013 55.820 54.840 -0.055 0.000 0.745 386 L CB -0.852 41.166 42.059 -0.067 0.000 0.892 386 L HN 0.253 nan 8.230 nan 0.000 0.431 387 L N -0.350 120.828 121.223 -0.075 0.000 2.123 387 L HA -0.339 4.002 4.340 0.001 0.000 0.217 387 L C 2.692 179.537 176.870 -0.041 0.000 1.081 387 L CA 1.796 56.595 54.840 -0.068 0.000 0.772 387 L CB -1.191 40.817 42.059 -0.085 0.000 0.890 387 L HN 0.467 nan 8.230 nan 0.000 0.437 388 C N -1.208 118.077 119.300 -0.024 0.000 2.485 388 C HA 0.169 4.630 4.460 0.001 0.000 0.278 388 C C 2.866 177.926 174.990 0.117 0.000 1.356 388 C CA 0.342 59.363 59.018 0.005 0.000 1.747 388 C CB -0.991 26.724 27.740 -0.041 0.000 2.001 388 C HN 0.548 nan 8.230 nan 0.000 0.501 389 A N -0.081 122.838 122.820 0.165 0.000 2.168 389 A HA 0.228 4.549 4.320 0.001 0.000 0.215 389 A C 1.334 178.942 177.584 0.040 0.000 1.152 389 A CA 0.884 53.005 52.037 0.139 0.000 0.716 389 A CB -0.366 18.590 19.000 -0.073 0.000 0.794 389 A HN 0.659 nan 8.150 nan 0.000 0.465 390 L N 0.053 121.280 121.223 0.006 0.000 3.141 390 L HA 0.205 4.545 4.340 0.001 0.000 0.263 390 L C -0.970 175.885 176.870 -0.024 0.000 1.312 390 L CA -0.564 54.256 54.840 -0.033 0.000 1.012 390 L CB -0.397 41.617 42.059 -0.076 0.000 1.408 390 L HN 0.150 nan 8.230 nan 0.000 0.559 391 D N 1.443 121.843 120.400 0.001 0.000 2.956 391 D HA -0.224 4.416 4.640 0.001 0.000 0.206 391 D C 1.099 177.389 176.300 -0.017 0.000 1.269 391 D CA 0.761 54.758 54.000 -0.005 0.000 0.694 391 D CB -0.251 40.548 40.800 -0.002 0.000 0.910 391 D HN 0.444 nan 8.370 nan 0.000 0.389 392 R N -0.218 120.268 120.500 -0.024 0.000 2.492 392 R HA 0.157 4.497 4.340 0.001 0.000 0.219 392 R C 0.285 176.569 176.300 -0.027 0.000 0.886 392 R CA -0.102 55.983 56.100 -0.026 0.000 1.003 392 R CB 0.801 31.081 30.300 -0.034 0.000 1.345 392 R HN -0.086 nan 8.270 nan 0.000 0.631 393 K N 1.448 121.826 120.400 -0.037 0.000 2.443 393 K HA 0.243 4.563 4.320 0.001 0.000 0.252 393 K C -1.202 175.368 176.600 -0.049 0.000 0.933 393 K CA -0.507 55.753 56.287 -0.044 0.000 0.792 393 K CB 2.214 34.674 32.500 -0.066 0.000 1.185 393 K HN -0.037 nan 8.250 nan 0.000 0.425 394 D N 1.520 121.897 120.400 -0.038 0.000 2.352 394 D HA -0.057 4.584 4.640 0.001 0.000 0.238 394 D C 0.549 176.815 176.300 -0.056 0.000 1.286 394 D CA 0.264 54.243 54.000 -0.034 0.000 0.923 394 D CB 0.788 41.583 40.800 -0.008 0.000 1.146 394 D HN 0.341 nan 8.370 nan 0.000 0.471 395 Q N 0.228 120.003 119.800 -0.042 0.000 2.417 395 Q HA 0.007 4.347 4.340 0.001 0.000 0.241 395 Q C -0.758 175.249 176.000 0.011 0.000 1.008 395 Q CA -0.232 55.552 55.803 -0.031 0.000 0.901 395 Q CB 0.674 29.425 28.738 0.021 0.000 1.259 395 Q HN 0.273 nan 8.270 nan 0.000 0.489 396 D N 2.352 122.765 120.400 0.022 0.000 2.277 396 D HA 0.036 4.676 4.640 0.001 0.000 0.249 396 D C -0.794 175.637 176.300 0.218 0.000 1.134 396 D CA -0.050 53.988 54.000 0.063 0.000 0.863 396 D CB 0.889 41.637 40.800 -0.087 0.000 1.143 396 D HN 0.464 nan 8.370 nan 0.000 0.458 397 D N 1.952 122.434 120.400 0.136 0.000 2.401 397 D HA -0.030 4.611 4.640 0.001 0.000 0.254 397 D C 0.847 177.211 176.300 0.107 0.000 1.192 397 D CA 0.065 54.137 54.000 0.120 0.000 0.885 397 D CB 0.620 41.494 40.800 0.122 0.000 1.147 397 D HN 0.246 nan 8.370 nan 0.000 0.478 398 R N 2.344 122.884 120.500 0.066 0.000 2.313 398 R HA 0.019 4.360 4.340 0.001 0.000 0.199 398 R C -0.136 176.151 176.300 -0.022 0.000 0.958 398 R CA 0.345 56.464 56.100 0.030 0.000 1.047 398 R CB 0.543 30.813 30.300 -0.050 0.000 0.955 398 R HN 0.393 nan 8.270 nan 0.000 0.481 399 D N -0.282 120.059 120.400 -0.097 0.000 2.670 399 D HA -0.002 4.639 4.640 0.001 0.000 0.255 399 D C -0.366 175.641 176.300 -0.488 0.000 1.286 399 D CA 0.020 53.875 54.000 -0.241 0.000 0.830 399 D CB 0.279 40.908 40.800 -0.285 0.000 1.065 399 D HN 0.111 nan 8.370 nan 0.000 0.486 400 H N 1.180 120.078 119.070 -0.286 0.000 2.788 400 H HA 0.033 4.590 4.556 0.001 0.000 0.254 400 H C 1.071 176.373 175.328 -0.043 0.000 1.541 400 H CA -0.719 55.217 56.048 -0.186 0.000 1.295 400 H CB -0.512 29.218 29.762 -0.053 0.000 1.592 400 H HN -0.062 nan 8.280 nan 0.000 0.545 401 F N 3.413 123.264 119.950 -0.167 0.000 2.074 401 F HA -0.350 4.177 4.527 0.001 0.000 0.289 401 F C 2.357 178.190 175.800 0.053 0.000 1.055 401 F CA 2.421 60.360 58.000 -0.101 0.000 1.286 401 F CB -0.790 38.079 39.000 -0.219 0.000 0.999 401 F HN 0.642 nan 8.300 nan 0.000 0.492 402 G N -0.998 108.009 108.800 0.344 0.000 2.501 402 G HA2 -0.263 3.697 3.960 0.001 0.000 0.220 402 G HA3 -0.263 3.697 3.960 0.001 0.000 0.220 402 G C 1.474 176.316 174.900 -0.097 0.000 1.114 402 G CA 0.797 45.968 45.100 0.120 0.000 0.757 402 G HN 0.413 nan 8.290 nan 0.000 0.559 403 K N 0.058 120.419 120.400 -0.065 0.000 2.437 403 K HA 0.177 4.498 4.320 0.001 0.000 0.205 403 K C -0.063 176.452 176.600 -0.141 0.000 1.026 403 K CA 0.074 56.282 56.287 -0.131 0.000 1.153 403 K CB 0.453 32.907 32.500 -0.078 0.000 0.863 403 K HN 0.212 nan 8.250 nan 0.000 0.502 404 K N 1.121 121.396 120.400 -0.209 0.000 2.426 404 K HA 0.425 4.745 4.320 0.001 0.000 0.251 404 K C -0.500 175.910 176.600 -0.317 0.000 0.941 404 K CA -1.066 55.081 56.287 -0.233 0.000 0.808 404 K CB 2.121 34.492 32.500 -0.214 0.000 1.265 404 K HN -0.198 nan 8.250 nan 0.000 0.432 405 R N 1.975 122.340 120.500 -0.225 0.000 2.562 405 R HA 0.451 4.792 4.340 0.001 0.000 0.298 405 R C -0.570 175.638 176.300 -0.152 0.000 0.961 405 R CA -0.786 55.197 56.100 -0.195 0.000 0.881 405 R CB 1.130 31.347 30.300 -0.138 0.000 1.159 405 R HN 0.576 nan 8.270 nan 0.000 0.450 406 L N 3.523 124.663 121.223 -0.137 0.000 2.272 406 L HA 0.271 4.611 4.340 0.001 0.000 0.284 406 L C 0.003 176.837 176.870 -0.059 0.000 1.045 406 L CA -0.692 54.097 54.840 -0.086 0.000 0.842 406 L CB 0.850 42.871 42.059 -0.064 0.000 1.224 406 L HN 0.287 nan 8.230 nan 0.000 0.430 407 D N 2.598 122.962 120.400 -0.059 0.000 2.399 407 D HA 0.375 5.016 4.640 0.001 0.000 0.241 407 D C -0.186 176.085 176.300 -0.049 0.000 1.133 407 D CA 0.190 54.162 54.000 -0.047 0.000 0.890 407 D CB 2.230 42.995 40.800 -0.058 0.000 1.201 407 D HN 0.101 nan 8.370 nan 0.000 0.432 408 L N 0.303 121.513 121.223 -0.022 0.000 2.389 408 L HA 0.426 4.767 4.340 0.001 0.000 0.249 408 L C 1.263 178.141 176.870 0.013 0.000 1.083 408 L CA -0.590 54.242 54.840 -0.012 0.000 0.876 408 L CB 1.049 43.116 42.059 0.014 0.000 1.489 408 L HN 0.401 nan 8.230 nan 0.000 0.412 409 A N 0.654 123.496 122.820 0.037 0.000 2.016 409 A HA -0.265 4.055 4.320 0.001 0.000 0.225 409 A C 1.699 179.346 177.584 0.105 0.000 1.230 409 A CA 2.778 54.867 52.037 0.087 0.000 0.678 409 A CB -1.610 17.506 19.000 0.192 0.000 0.826 409 A HN 0.971 nan 8.150 nan 0.000 0.484 410 G N -0.719 108.161 108.800 0.133 0.000 2.605 410 G HA2 -0.007 3.954 3.960 0.001 0.000 0.215 410 G HA3 -0.007 3.954 3.960 0.001 0.000 0.215 410 G C -0.217 174.722 174.900 0.066 0.000 1.279 410 G CA 1.036 46.217 45.100 0.135 0.000 0.831 410 G HN 0.470 nan 8.290 nan 0.000 0.560 411 P HA -0.127 nan 4.420 nan 0.000 0.218 411 P C 2.042 179.404 177.300 0.104 0.000 1.154 411 P CA 0.945 64.113 63.100 0.114 0.000 0.872 411 P CB -0.136 31.611 31.700 0.078 0.000 0.790 412 L N -1.821 119.447 121.223 0.076 0.000 2.042 412 L HA -0.182 4.159 4.340 0.001 0.000 0.210 412 L C 2.447 179.478 176.870 0.268 0.000 1.076 412 L CA 1.366 56.304 54.840 0.164 0.000 0.749 412 L CB -0.823 41.240 42.059 0.007 0.000 0.893 412 L HN -0.018 nan 8.230 nan 0.000 0.432 413 L N -1.178 120.041 121.223 -0.006 0.000 2.291 413 L HA -0.118 4.222 4.340 0.001 0.000 0.214 413 L C 2.668 179.439 176.870 -0.165 0.000 1.120 413 L CA 0.570 55.248 54.840 -0.269 0.000 0.799 413 L CB -0.517 41.031 42.059 -0.852 0.000 0.925 413 L HN 0.249 nan 8.230 nan 0.000 0.446 414 A N -0.161 122.679 122.820 0.033 0.000 1.824 414 A HA -0.307 4.014 4.320 0.001 0.000 0.215 414 A C 2.153 179.887 177.584 0.250 0.000 1.209 414 A CA 1.791 54.003 52.037 0.291 0.000 0.614 414 A CB -0.876 18.290 19.000 0.277 0.000 0.852 414 A HN 0.420 nan 8.150 nan 0.000 0.447 415 Q N -0.702 119.218 119.800 0.200 0.000 2.224 415 Q HA -0.247 4.093 4.340 0.001 0.000 0.213 415 Q C 2.027 178.110 176.000 0.139 0.000 0.998 415 Q CA 2.019 57.927 55.803 0.174 0.000 0.895 415 Q CB -0.267 28.595 28.738 0.207 0.000 0.926 415 Q HN 0.685 nan 8.270 nan 0.000 0.417 416 L N -0.548 120.747 121.223 0.120 0.000 2.072 416 L HA -0.141 4.199 4.340 0.001 0.000 0.205 416 L C 2.298 179.233 176.870 0.107 0.000 1.079 416 L CA 0.791 55.624 54.840 -0.011 0.000 0.752 416 L CB -0.286 41.663 42.059 -0.184 0.000 0.906 416 L HN 0.295 nan 8.230 nan 0.000 0.436 417 F N 0.913 120.878 119.950 0.025 0.000 2.075 417 F HA -0.222 4.305 4.527 0.001 0.000 0.297 417 F C 2.395 178.262 175.800 0.111 0.000 1.113 417 F CA 1.468 59.517 58.000 0.082 0.000 1.218 417 F CB -0.342 38.777 39.000 0.199 0.000 0.984 417 F HN -0.084 nan 8.300 nan 0.000 0.472 418 K N -0.376 120.103 120.400 0.131 0.000 1.975 418 K HA -0.222 4.099 4.320 0.001 0.000 0.225 418 K C 1.881 178.474 176.600 -0.011 0.000 1.050 418 K CA 2.651 58.966 56.287 0.047 0.000 0.992 418 K CB -1.100 31.444 32.500 0.073 0.000 0.738 418 K HN 0.185 nan 8.250 nan 0.000 0.446 419 T N 2.390 116.939 114.554 -0.008 0.000 2.668 419 T HA -0.242 4.109 4.350 0.001 0.000 0.265 419 T C 1.903 176.557 174.700 -0.077 0.000 1.041 419 T CA 1.698 63.770 62.100 -0.048 0.000 1.160 419 T CB -0.401 68.442 68.868 -0.041 0.000 0.857 419 T HN 0.156 nan 8.240 nan 0.000 0.455 420 L N -0.550 120.638 121.223 -0.059 0.000 2.005 420 L HA -0.033 4.308 4.340 0.001 0.000 0.207 420 L C 2.343 179.173 176.870 -0.067 0.000 1.072 420 L CA 1.450 56.253 54.840 -0.062 0.000 0.744 420 L CB -0.528 41.524 42.059 -0.011 0.000 0.895 420 L HN 0.194 nan 8.230 nan 0.000 0.433 421 F N 1.408 121.161 119.950 -0.327 0.000 2.115 421 F HA -0.287 4.241 4.527 0.001 0.000 0.300 421 F C 2.326 177.947 175.800 -0.299 0.000 1.092 421 F CA 1.723 59.471 58.000 -0.419 0.000 1.245 421 F CB -0.376 38.217 39.000 -0.678 0.000 0.995 421 F HN -0.043 nan 8.300 nan 0.000 0.481 422 K N -0.102 120.044 120.400 -0.423 0.000 2.288 422 K HA -0.146 4.174 4.320 0.001 0.000 0.201 422 K C 1.980 178.392 176.600 -0.313 0.000 1.048 422 K CA 0.980 56.983 56.287 -0.474 0.000 0.956 422 K CB -0.193 32.119 32.500 -0.312 0.000 0.746 422 K HN 0.225 nan 8.250 nan 0.000 0.461 423 K N 0.905 121.179 120.400 -0.210 0.000 2.486 423 K HA -0.042 4.278 4.320 0.001 0.000 0.194 423 K C 1.653 178.176 176.600 -0.128 0.000 1.033 423 K CA 0.260 56.462 56.287 -0.142 0.000 1.004 423 K CB 0.223 32.661 32.500 -0.102 0.000 0.798 423 K HN 0.027 nan 8.250 nan 0.000 0.495 424 L N -0.190 120.930 121.223 -0.171 0.000 2.200 424 L HA 0.040 4.380 4.340 0.001 0.000 0.200 424 L C 1.827 178.608 176.870 -0.149 0.000 1.072 424 L CA 1.530 56.299 54.840 -0.118 0.000 0.787 424 L CB -0.455 41.570 42.059 -0.057 0.000 0.957 424 L HN -0.039 nan 8.230 nan 0.000 0.459 425 T N 0.954 115.313 114.554 -0.324 0.000 2.699 425 T HA -0.235 4.115 4.350 0.001 0.000 0.268 425 T C 1.321 175.914 174.700 -0.178 0.000 1.036 425 T CA 2.029 63.950 62.100 -0.297 0.000 1.147 425 T CB -0.369 68.184 68.868 -0.525 0.000 0.862 425 T HN 0.504 nan 8.240 nan 0.000 0.446 426 K N 0.599 120.879 120.400 -0.201 0.000 2.596 426 K HA 0.184 4.504 4.320 0.001 0.000 0.211 426 K C 0.654 177.252 176.600 -0.004 0.000 1.046 426 K CA 0.273 56.477 56.287 -0.140 0.000 1.202 426 K CB 0.407 32.799 32.500 -0.180 0.000 0.925 426 K HN 0.094 nan 8.250 nan 0.000 0.486 427 D N 0.233 120.645 120.400 0.020 0.000 2.502 427 D HA 0.205 4.846 4.640 0.001 0.000 0.232 427 D C 1.316 177.676 176.300 0.100 0.000 1.137 427 D CA 0.118 54.149 54.000 0.050 0.000 0.827 427 D CB 0.542 41.347 40.800 0.008 0.000 1.141 427 D HN 0.261 nan 8.370 nan 0.000 0.517 428 I N 0.080 120.728 120.570 0.130 0.000 2.585 428 I HA -0.101 4.069 4.170 0.001 0.000 0.254 428 I C 2.012 178.308 176.117 0.298 0.000 1.129 428 I CA 0.234 61.643 61.300 0.182 0.000 1.455 428 I CB 0.017 38.134 38.000 0.195 0.000 1.111 428 I HN -0.119 nan 8.210 nan 0.000 0.433 429 F N 2.191 122.182 119.950 0.069 0.000 2.069 429 F HA -0.157 4.371 4.527 0.001 0.000 0.298 429 F C 2.253 178.101 175.800 0.079 0.000 1.113 429 F CA 1.529 59.566 58.000 0.062 0.000 1.214 429 F CB -0.453 38.563 39.000 0.027 0.000 0.978 429 F HN -0.082 nan 8.300 nan 0.000 0.474 430 R N -1.395 119.260 120.500 0.257 0.000 2.387 430 R HA -0.178 4.163 4.340 0.001 0.000 0.203 430 R C 0.815 177.223 176.300 0.180 0.000 1.121 430 R CA 0.469 56.666 56.100 0.160 0.000 1.129 430 R CB -0.611 29.772 30.300 0.138 0.000 0.905 430 R HN 0.399 nan 8.270 nan 0.000 0.477 431 Y N -0.838 119.480 120.300 0.029 0.000 2.652 431 Y HA 0.177 4.727 4.550 0.001 0.000 0.275 431 Y C 1.700 177.588 175.900 -0.020 0.000 1.133 431 Y CA 0.260 58.368 58.100 0.014 0.000 1.246 431 Y CB 0.448 38.928 38.460 0.034 0.000 1.334 431 Y HN -0.141 nan 8.280 nan 0.000 0.493 432 M N -0.272 119.325 119.600 -0.004 0.000 2.476 432 M HA -0.026 4.454 4.480 0.001 0.000 0.262 432 M C 1.524 177.720 176.300 -0.174 0.000 1.111 432 M CA 1.083 56.311 55.300 -0.120 0.000 1.127 432 M CB 0.057 32.602 32.600 -0.092 0.000 1.376 432 M HN 0.157 nan 8.290 nan 0.000 0.465 433 Q N 0.315 120.013 119.800 -0.170 0.000 2.435 433 Q HA 0.008 4.348 4.340 0.001 0.000 0.207 433 Q C 1.297 177.230 176.000 -0.112 0.000 0.956 433 Q CA 0.723 56.430 55.803 -0.160 0.000 0.917 433 Q CB 0.240 28.892 28.738 -0.144 0.000 0.997 433 Q HN 0.498 nan 8.270 nan 0.000 0.497 434 R N -0.595 119.833 120.500 -0.121 0.000 2.437 434 R HA 0.127 4.467 4.340 0.001 0.000 0.257 434 R C 0.006 176.209 176.300 -0.161 0.000 0.927 434 R CA 0.041 56.073 56.100 -0.113 0.000 1.078 434 R CB 0.904 31.154 30.300 -0.084 0.000 1.161 434 R HN -0.103 nan 8.270 nan 0.000 0.529 435 T N 1.553 115.987 114.554 -0.201 0.000 3.185 435 T HA 0.063 4.413 4.350 0.001 0.000 0.287 435 T C 1.218 175.837 174.700 -0.135 0.000 1.051 435 T CA 0.012 61.985 62.100 -0.213 0.000 1.051 435 T CB 0.816 69.544 68.868 -0.233 0.000 1.034 435 T HN -0.078 nan 8.240 nan 0.000 0.685 436 V N 2.051 121.899 119.914 -0.109 0.000 3.510 436 V HA 0.009 4.130 4.120 0.001 0.000 0.270 436 V C 1.382 177.435 176.094 -0.068 0.000 1.201 436 V CA 0.809 63.062 62.300 -0.077 0.000 1.166 436 V CB -0.748 31.038 31.823 -0.061 0.000 0.825 436 V HN 0.726 nan 8.190 nan 0.000 0.484 447 A N 0.274 122.862 122.820 -0.386 0.000 3.447 447 A HA -0.094 4.226 4.320 0.001 0.000 0.239 447 A C 0.053 177.465 177.584 -0.287 0.000 1.238 447 A CA 1.059 52.728 52.037 -0.614 0.000 1.344 447 A CB -2.233 15.745 19.000 -1.703 0.000 1.092 447 A HN 0.459 nan 8.150 nan 0.000 0.899 448 I N 1.356 121.844 120.570 -0.137 0.000 2.503 448 I HA 0.182 4.352 4.170 0.001 0.000 0.277 448 I C 0.212 176.320 176.117 -0.014 0.000 1.078 448 I CA -0.594 60.678 61.300 -0.046 0.000 1.184 448 I CB 0.992 38.993 38.000 0.002 0.000 1.353 448 I HN 0.327 nan 8.210 nan 0.000 0.490 449 N N 4.416 123.107 118.700 -0.014 0.000 2.498 449 N HA 0.139 4.879 4.740 0.001 0.000 0.277 449 N C 1.281 176.791 175.510 -0.001 0.000 1.208 449 N CA 0.106 53.161 53.050 0.009 0.000 1.029 449 N CB 0.899 39.391 38.487 0.010 0.000 1.403 449 N HN 0.669 nan 8.380 nan 0.000 0.500 450 A N 3.264 126.076 122.820 -0.013 0.000 2.131 450 A HA -0.194 4.126 4.320 0.001 0.000 0.220 450 A C 2.060 179.613 177.584 -0.051 0.000 1.158 450 A CA 1.095 53.063 52.037 -0.116 0.000 0.665 450 A CB -0.423 18.359 19.000 -0.364 0.000 0.795 450 A HN 0.715 nan 8.150 nan 0.000 0.460 451 K N -0.526 119.887 120.400 0.021 0.000 2.360 451 K HA -0.146 4.175 4.320 0.001 0.000 0.201 451 K C 1.691 178.303 176.600 0.021 0.000 1.046 451 K CA 1.640 57.952 56.287 0.041 0.000 0.940 451 K CB -0.270 32.261 32.500 0.052 0.000 0.748 451 K HN 0.469 nan 8.250 nan 0.000 0.465 452 T N 1.520 116.076 114.554 0.003 0.000 2.708 452 T HA -0.099 4.252 4.350 0.001 0.000 0.266 452 T C 1.697 176.397 174.700 0.001 0.000 1.037 452 T CA 1.208 63.306 62.100 -0.003 0.000 1.146 452 T CB 0.015 68.876 68.868 -0.012 0.000 0.865 452 T HN 0.138 nan 8.240 nan 0.000 0.435 453 I N 1.472 122.046 120.570 0.007 0.000 2.333 453 I HA -0.065 4.105 4.170 0.001 0.000 0.246 453 I C 2.585 178.728 176.117 0.043 0.000 1.106 453 I CA 1.327 62.654 61.300 0.045 0.000 1.411 453 I CB -1.850 36.201 38.000 0.085 0.000 1.082 453 I HN 0.279 nan 8.210 nan 0.000 0.420 454 T N 1.232 115.803 114.554 0.027 0.000 2.668 454 T HA -0.145 4.206 4.350 0.001 0.000 0.262 454 T C 2.063 176.791 174.700 0.046 0.000 1.045 454 T CA 2.086 64.213 62.100 0.045 0.000 1.152 454 T CB -0.573 68.335 68.868 0.067 0.000 0.864 454 T HN 0.484 nan 8.240 nan 0.000 0.419 455 S N 1.503 117.231 115.700 0.047 0.000 2.419 455 S HA -0.031 4.439 4.470 0.001 0.000 0.235 455 S C 2.292 176.929 174.600 0.061 0.000 1.019 455 S CA 1.327 59.560 58.200 0.055 0.000 0.982 455 S CB -1.081 62.152 63.200 0.055 0.000 0.789 455 S HN 0.551 nan 8.310 nan 0.000 0.490 456 G N 1.872 110.687 108.800 0.024 0.000 2.404 456 G HA2 0.062 4.022 3.960 0.001 0.000 0.214 456 G HA3 0.062 4.022 3.960 0.001 0.000 0.214 456 G C 1.418 176.294 174.900 -0.040 0.000 1.189 456 G CA 0.660 45.745 45.100 -0.025 0.000 0.789 456 G HN 0.509 nan 8.290 nan 0.000 0.533 457 L N 0.047 121.251 121.223 -0.032 0.000 2.353 457 L HA -0.016 4.325 4.340 0.001 0.000 0.220 457 L C 2.840 179.683 176.870 -0.045 0.000 1.133 457 L CA 0.734 55.532 54.840 -0.070 0.000 0.798 457 L CB -0.198 41.843 42.059 -0.029 0.000 0.922 457 L HN 0.198 nan 8.230 nan 0.000 0.445 458 K N -0.444 119.965 120.400 0.015 0.000 1.980 458 K HA -0.209 4.111 4.320 0.001 0.000 0.208 458 K C 2.075 178.710 176.600 0.058 0.000 1.043 458 K CA 1.520 57.826 56.287 0.030 0.000 0.938 458 K CB -0.424 32.103 32.500 0.045 0.000 0.724 458 K HN 0.106 nan 8.250 nan 0.000 0.438 459 Y N 1.380 121.641 120.300 -0.066 0.000 2.144 459 Y HA -0.430 4.121 4.550 0.001 0.000 0.277 459 Y C 1.791 177.637 175.900 -0.089 0.000 1.229 459 Y CA 1.567 59.627 58.100 -0.068 0.000 1.144 459 Y CB -0.119 38.296 38.460 -0.076 0.000 0.953 459 Y HN 0.206 nan 8.280 nan 0.000 0.515 460 A N -0.054 122.850 122.820 0.141 0.000 1.935 460 A HA -0.134 4.187 4.320 0.001 0.000 0.211 460 A C 1.787 179.410 177.584 0.064 0.000 1.388 460 A CA 1.249 53.278 52.037 -0.013 0.000 0.600 460 A CB -1.322 17.384 19.000 -0.488 0.000 1.011 460 A HN 0.361 nan 8.150 nan 0.000 0.481 461 L N -0.104 121.111 121.223 -0.015 0.000 2.198 461 L HA -0.327 4.014 4.340 0.001 0.000 0.218 461 L C 2.890 179.759 176.870 -0.002 0.000 1.084 461 L CA 2.281 57.100 54.840 -0.034 0.000 0.779 461 L CB -1.280 40.666 42.059 -0.188 0.000 0.890 461 L HN 0.536 nan 8.230 nan 0.000 0.439 462 A N -1.213 121.609 122.820 0.003 0.000 1.835 462 A HA -0.211 4.110 4.320 0.001 0.000 0.215 462 A C 2.289 179.868 177.584 -0.008 0.000 1.199 462 A CA 2.628 54.660 52.037 -0.008 0.000 0.615 462 A CB -1.046 17.933 19.000 -0.034 0.000 0.838 462 A HN 0.494 nan 8.150 nan 0.000 0.444 463 T N -3.086 111.462 114.554 -0.011 0.000 3.035 463 T HA 0.383 4.734 4.350 0.001 0.000 0.259 463 T C 1.644 176.385 174.700 0.069 0.000 1.078 463 T CA 1.168 63.265 62.100 -0.005 0.000 1.132 463 T CB -0.051 68.773 68.868 -0.073 0.000 0.900 463 T HN 1.679 nan 8.240 nan 0.000 0.480 464 G N 1.892 110.781 108.800 0.149 0.000 2.212 464 G HA2 -0.371 3.589 3.960 0.001 0.000 0.266 464 G HA3 -0.371 3.589 3.960 0.001 0.000 0.266 464 G C 0.760 175.813 174.900 0.254 0.000 0.978 464 G CA 0.502 45.728 45.100 0.211 0.000 0.632 464 G HN 0.527 nan 8.290 nan 0.000 0.537 465 N N -0.092 118.732 118.700 0.207 0.000 2.651 465 N HA -0.024 4.716 4.740 0.001 0.000 0.193 465 N C 1.375 177.092 175.510 0.346 0.000 1.149 465 N CA 0.969 54.152 53.050 0.221 0.000 0.933 465 N CB -0.227 38.358 38.487 0.162 0.000 0.974 465 N HN 0.621 nan 8.380 nan 0.000 0.448 466 W N 0.618 121.981 121.300 0.105 0.000 1.601 466 W HA -0.445 4.216 4.660 0.001 0.000 0.274 466 W C 1.729 178.279 176.519 0.052 0.000 0.945 466 W CA 2.154 59.536 57.345 0.062 0.000 0.924 466 W CB -1.297 28.172 29.460 0.014 0.000 0.883 466 W HN 0.321 nan 8.180 nan 0.000 0.568 467 G N 1.598 110.621 108.800 0.371 0.000 2.397 467 G HA2 -0.404 3.556 3.960 0.001 0.000 0.312 467 G HA3 -0.404 3.556 3.960 0.001 0.000 0.312 467 G C 0.558 175.437 174.900 -0.036 0.000 0.970 467 G CA 1.926 47.120 45.100 0.157 0.000 0.770 467 G HN 0.613 nan 8.290 nan 0.000 0.513 468 E N -1.635 118.434 120.200 -0.219 0.000 4.202 468 E HA -0.408 3.942 4.350 0.001 0.000 0.204 468 E C 2.092 178.299 176.600 -0.654 0.000 1.313 468 E CA 3.159 59.276 56.400 -0.471 0.000 2.172 468 E CB -1.028 28.448 29.700 -0.374 0.000 1.910 468 E HN 1.044 nan 8.360 nan 0.000 0.262 469 Q N -1.940 117.645 119.800 -0.358 0.000 2.010 469 Q HA 0.217 4.558 4.340 0.001 0.000 0.215 469 Q C -0.229 175.698 176.000 -0.122 0.000 0.697 469 Q CA -0.299 55.337 55.803 -0.278 0.000 0.855 469 Q CB 0.686 29.279 28.738 -0.241 0.000 1.235 469 Q HN 0.059 nan 8.270 nan 0.000 0.442 470 K N 1.578 121.918 120.400 -0.100 0.000 2.734 470 K HA -0.189 4.131 4.320 0.001 0.000 0.553 470 K C -0.695 175.892 176.600 -0.022 0.000 2.461 470 K CA 1.353 57.614 56.287 -0.044 0.000 1.892 470 K CB -0.127 32.364 32.500 -0.014 0.000 1.781 470 K HN 0.316 nan 8.250 nan 0.000 0.604 471 K N 1.092 121.487 120.400 -0.010 0.000 3.045 471 K HA 0.270 4.591 4.320 0.001 0.000 0.214 471 K C 0.256 176.859 176.600 0.006 0.000 1.213 471 K CA 0.516 56.802 56.287 -0.002 0.000 1.111 471 K CB 0.614 33.113 32.500 -0.002 0.000 1.454 471 K HN 0.662 nan 8.250 nan 0.000 0.498 472 A N 2.005 124.831 122.820 0.009 0.000 2.593 472 A HA -0.237 4.084 4.320 0.001 0.000 0.320 472 A C 0.920 178.517 177.584 0.020 0.000 1.507 472 A CA 1.390 53.437 52.037 0.018 0.000 0.982 472 A CB -1.558 17.454 19.000 0.019 0.000 0.944 472 A HN 0.773 nan 8.150 nan 0.000 0.428 473 M N -1.090 118.523 119.600 0.021 0.000 3.310 473 M HA 0.418 4.899 4.480 0.001 0.000 0.233 473 M C 0.396 176.715 176.300 0.033 0.000 1.267 473 M CA 0.137 55.450 55.300 0.022 0.000 1.301 473 M CB -0.454 32.157 32.600 0.020 0.000 1.186 473 M HN 0.248 nan 8.290 nan 0.000 0.515 474 S N 1.985 117.707 115.700 0.036 0.000 2.605 474 S HA -0.072 4.398 4.470 0.001 0.000 0.309 474 S C 0.416 175.054 174.600 0.062 0.000 1.257 474 S CA 0.404 58.635 58.200 0.050 0.000 1.033 474 S CB 0.155 63.384 63.200 0.048 0.000 0.742 474 S HN 0.812 nan 8.310 nan 0.000 0.487 475 S N 4.621 120.376 115.700 0.091 0.000 4.607 475 S HA -0.159 4.311 4.470 0.001 0.000 0.553 475 S C 1.345 175.987 174.600 0.068 0.000 0.985 475 S CA 0.045 58.314 58.200 0.114 0.000 1.016 475 S CB -0.028 63.252 63.200 0.132 0.000 1.258 475 S HN 0.638 nan 8.310 nan 0.000 0.434 476 R N 2.214 122.744 120.500 0.049 0.000 2.151 476 R HA 0.035 4.375 4.340 0.001 0.000 0.220 476 R C 1.157 177.455 176.300 -0.003 0.000 1.120 476 R CA 1.833 57.936 56.100 0.004 0.000 0.882 476 R CB -0.878 29.400 30.300 -0.037 0.000 0.806 476 R HN 0.842 nan 8.270 nan 0.000 0.440 477 A N -1.581 121.223 122.820 -0.027 0.000 2.701 477 A HA 0.632 4.952 4.320 0.001 0.000 0.290 477 A C -0.588 176.983 177.584 -0.021 0.000 1.267 477 A CA -0.088 51.935 52.037 -0.024 0.000 0.709 477 A CB 0.606 19.581 19.000 -0.042 0.000 1.352 477 A HN 0.346 nan 8.150 nan 0.000 0.519 478 G N -0.287 108.500 108.800 -0.022 0.000 2.333 478 G HA2 0.539 4.500 3.960 0.001 0.000 0.290 478 G HA3 0.539 4.500 3.960 0.001 0.000 0.290 478 G C -0.686 174.182 174.900 -0.054 0.000 1.150 478 G CA -0.032 45.061 45.100 -0.011 0.000 0.895 478 G HN 0.978 nan 8.290 nan 0.000 0.444 479 V N 1.764 121.636 119.914 -0.070 0.000 2.680 479 V HA 0.765 4.885 4.120 0.001 0.000 0.309 479 V C 0.335 176.396 176.094 -0.055 0.000 1.052 479 V CA -0.357 61.846 62.300 -0.161 0.000 0.908 479 V CB 1.253 32.822 31.823 -0.424 0.000 1.001 479 V HN 1.553 nan 8.190 nan 0.000 0.431 480 S N 3.247 118.911 115.700 -0.061 0.000 2.964 480 S HA -0.120 4.351 4.470 0.001 0.000 0.829 480 S C -0.762 173.839 174.600 0.002 0.000 0.843 480 S CA 0.463 58.647 58.200 -0.028 0.000 1.458 480 S CB -0.548 62.658 63.200 0.010 0.000 1.044 480 S HN 0.933 nan 8.310 nan 0.000 0.490 481 Q N 2.312 122.115 119.800 0.004 0.000 2.668 481 Q HA 0.704 5.045 4.340 0.001 0.000 0.298 481 Q C -0.718 175.298 176.000 0.027 0.000 1.071 481 Q CA -1.182 54.646 55.803 0.043 0.000 0.789 481 Q CB 1.571 30.388 28.738 0.131 0.000 1.497 481 Q HN 0.559 nan 8.270 nan 0.000 0.460 482 V N 2.245 122.184 119.914 0.041 0.000 2.353 482 V HA 0.084 4.204 4.120 0.001 0.000 0.264 482 V C -0.070 176.027 176.094 0.006 0.000 1.049 482 V CA -0.485 61.813 62.300 -0.005 0.000 0.896 482 V CB 0.227 32.037 31.823 -0.022 0.000 1.025 482 V HN 0.522 nan 8.190 nan 0.000 0.475 483 L N 5.624 126.795 121.223 -0.086 0.000 2.628 483 L HA 0.006 4.346 4.340 0.001 0.000 0.292 483 L C 0.467 177.239 176.870 -0.165 0.000 1.250 483 L CA 0.638 55.387 54.840 -0.152 0.000 0.892 483 L CB -0.215 41.616 42.059 -0.379 0.000 1.138 483 L HN 0.644 nan 8.230 nan 0.000 0.502 484 N N 3.813 122.489 118.700 -0.040 0.000 2.452 484 N HA 0.229 4.970 4.740 0.001 0.000 0.266 484 N C -0.223 174.928 175.510 -0.598 0.000 1.175 484 N CA 0.132 52.851 53.050 -0.552 0.000 0.945 484 N CB 0.339 38.571 38.487 -0.424 0.000 1.063 484 N HN 0.359 nan 8.380 nan 0.000 0.472 485 R N 2.070 122.075 120.500 -0.825 0.000 2.881 485 R HA 0.267 4.608 4.340 0.001 0.000 0.331 485 R C -0.072 175.802 176.300 -0.710 0.000 1.207 485 R CA -0.180 55.533 56.100 -0.645 0.000 1.265 485 R CB -0.207 29.701 30.300 -0.653 0.000 1.351 485 R HN 0.680 nan 8.270 nan 0.000 0.613 486 Y N -2.174 117.970 120.300 -0.260 0.000 2.239 486 Y HA 0.263 4.814 4.550 0.001 0.000 0.293 486 Y C 0.890 176.754 175.900 -0.060 0.000 1.126 486 Y CA 0.116 58.097 58.100 -0.199 0.000 1.128 486 Y CB 0.649 39.029 38.460 -0.132 0.000 1.066 486 Y HN -0.119 nan 8.280 nan 0.000 0.516 487 T N -1.321 113.341 114.554 0.180 0.000 2.906 487 T HA 0.132 4.482 4.350 0.001 0.000 0.295 487 T C -0.237 174.593 174.700 0.216 0.000 1.075 487 T CA -0.646 61.587 62.100 0.222 0.000 1.005 487 T CB 1.714 70.707 68.868 0.209 0.000 1.136 487 T HN 0.061 nan 8.240 nan 0.000 0.498 488 Y N 2.519 122.913 120.300 0.156 0.000 2.049 488 Y HA -0.218 4.333 4.550 0.001 0.000 0.277 488 Y C 2.819 178.791 175.900 0.120 0.000 1.143 488 Y CA 2.738 60.912 58.100 0.124 0.000 1.115 488 Y CB -0.814 37.695 38.460 0.082 0.000 0.975 488 Y HN 0.762 nan 8.280 nan 0.000 0.487 489 S N -0.368 115.450 115.700 0.197 0.000 2.389 489 S HA -0.376 4.095 4.470 0.001 0.000 0.229 489 S C 2.355 176.945 174.600 -0.017 0.000 1.048 489 S CA 2.568 60.825 58.200 0.095 0.000 1.117 489 S CB -1.764 61.557 63.200 0.203 0.000 1.020 489 S HN 0.701 nan 8.310 nan 0.000 0.430 490 S N 1.886 117.615 115.700 0.047 0.000 2.390 490 S HA -0.285 4.186 4.470 0.001 0.000 0.234 490 S C 1.948 176.525 174.600 -0.037 0.000 1.063 490 S CA 2.691 60.911 58.200 0.033 0.000 1.108 490 S CB -1.937 61.327 63.200 0.106 0.000 0.975 490 S HN 0.754 nan 8.310 nan 0.000 0.442 491 T N 3.679 118.165 114.554 -0.114 0.000 2.607 491 T HA -0.066 4.285 4.350 0.001 0.000 0.267 491 T C 1.836 176.433 174.700 -0.171 0.000 1.049 491 T CA 1.840 63.837 62.100 -0.172 0.000 1.162 491 T CB -0.792 67.924 68.868 -0.252 0.000 0.863 491 T HN 0.429 nan 8.240 nan 0.000 0.424 492 L N 0.872 121.939 121.223 -0.259 0.000 1.951 492 L HA -0.228 4.112 4.340 0.001 0.000 0.222 492 L C 2.875 179.686 176.870 -0.098 0.000 1.078 492 L CA 1.723 56.446 54.840 -0.195 0.000 0.778 492 L CB -1.271 40.667 42.059 -0.200 0.000 0.893 492 L HN 0.289 nan 8.230 nan 0.000 0.436 493 S N -1.203 114.454 115.700 -0.071 0.000 2.408 493 S HA -0.379 4.091 4.470 0.001 0.000 0.241 493 S C 2.015 176.634 174.600 0.032 0.000 1.080 493 S CA 2.193 60.379 58.200 -0.024 0.000 1.109 493 S CB -0.581 62.610 63.200 -0.015 0.000 0.966 493 S HN 0.587 nan 8.310 nan 0.000 0.449 494 H N -0.264 118.750 119.070 -0.094 0.000 2.421 494 H HA 0.026 4.582 4.556 0.001 0.000 0.298 494 H C 2.041 177.321 175.328 -0.080 0.000 1.087 494 H CA 1.328 57.322 56.048 -0.089 0.000 1.330 494 H CB -0.081 29.607 29.762 -0.123 0.000 1.388 494 H HN 0.370 nan 8.280 nan 0.000 0.526 495 L N 0.306 121.491 121.223 -0.064 0.000 2.275 495 L HA -0.077 4.263 4.340 0.001 0.000 0.215 495 L C 1.175 178.013 176.870 -0.054 0.000 1.119 495 L CA 0.912 55.686 54.840 -0.110 0.000 0.790 495 L CB 0.039 42.041 42.059 -0.096 0.000 0.919 495 L HN 0.209 nan 8.230 nan 0.000 0.443 496 R N -0.033 120.450 120.500 -0.029 0.000 3.039 496 R HA 0.234 4.575 4.340 0.001 0.000 0.336 496 R C 0.003 176.302 176.300 -0.003 0.000 1.258 496 R CA -0.210 55.877 56.100 -0.023 0.000 1.125 496 R CB 0.192 30.471 30.300 -0.035 0.000 1.427 496 R HN 0.098 nan 8.270 nan 0.000 0.588 497 R N 0.317 120.826 120.500 0.015 0.000 2.474 497 R HA 0.310 4.650 4.340 0.001 0.000 0.295 497 R C -0.796 175.514 176.300 0.015 0.000 0.980 497 R CA -0.156 55.961 56.100 0.028 0.000 0.934 497 R CB 1.689 32.037 30.300 0.080 0.000 1.101 497 R HN -0.098 nan 8.270 nan 0.000 0.469 498 T N 2.706 117.268 114.554 0.014 0.000 2.812 498 T HA 0.253 4.604 4.350 0.001 0.000 0.282 498 T C -1.186 173.520 174.700 0.009 0.000 0.990 498 T CA -0.631 61.480 62.100 0.018 0.000 0.960 498 T CB 0.823 69.724 68.868 0.056 0.000 0.948 498 T HN 0.591 nan 8.240 nan 0.000 0.438 499 N N 1.906 120.603 118.700 -0.005 0.000 2.408 499 N HA 0.421 5.161 4.740 0.001 0.000 0.280 499 N C -0.930 174.576 175.510 -0.007 0.000 1.002 499 N CA -0.317 52.724 53.050 -0.014 0.000 0.907 499 N CB 1.135 39.601 38.487 -0.035 0.000 1.161 499 N HN 0.341 nan 8.380 nan 0.000 0.488 500 T N 5.628 120.184 114.554 0.003 0.000 2.874 500 T HA 0.335 4.685 4.350 0.001 0.000 0.321 500 T C -2.090 172.607 174.700 -0.006 0.000 1.075 500 T CA -0.999 61.108 62.100 0.013 0.000 0.966 500 T CB 1.294 70.186 68.868 0.040 0.000 1.001 500 T HN 0.527 nan 8.240 nan 0.000 0.476 501 P HA 0.360 nan 4.420 nan 0.000 0.341 501 P C 0.113 177.403 177.300 -0.016 0.000 1.407 501 P CA -0.291 62.795 63.100 -0.023 0.000 0.837 501 P CB 0.130 31.809 31.700 -0.035 0.000 2.024 502 I N -5.113 115.446 120.570 -0.019 0.000 8.979 502 I HA -0.201 3.970 4.170 0.001 0.000 0.126 502 I C 0.784 176.891 176.117 -0.017 0.000 1.836 502 I CA 0.395 61.685 61.300 -0.017 0.000 2.082 502 I CB -1.910 36.079 38.000 -0.018 0.000 3.879 502 I HN 0.562 nan 8.210 nan 0.000 0.183 503 G N 2.559 111.348 108.800 -0.019 0.000 2.764 503 G HA2 0.504 4.464 3.960 0.001 0.000 0.218 503 G HA3 0.504 4.464 3.960 0.001 0.000 0.218 503 G C 0.810 175.694 174.900 -0.026 0.000 1.304 503 G CA 0.995 46.083 45.100 -0.020 0.000 0.847 503 G HN 1.051 nan 8.290 nan 0.000 0.610 504 R N -0.187 120.298 120.500 -0.025 0.000 3.312 504 R HA -0.159 4.181 4.340 0.001 0.000 0.094 504 R C 0.463 176.743 176.300 -0.033 0.000 0.801 504 R CA 2.260 58.342 56.100 -0.029 0.000 1.296 504 R CB -1.867 28.411 30.300 -0.036 0.000 0.743 504 R HN 0.578 nan 8.270 nan 0.000 0.644 505 D N -2.084 118.289 120.400 -0.045 0.000 2.290 505 D HA 0.047 4.688 4.640 0.001 0.000 0.091 505 D C 0.848 177.111 176.300 -0.061 0.000 1.422 505 D CA 0.484 54.455 54.000 -0.047 0.000 1.340 505 D CB -0.676 40.097 40.800 -0.044 0.000 2.473 505 D HN 0.496 nan 8.370 nan 0.000 0.196 506 G N 1.814 110.564 108.800 -0.083 0.000 2.991 506 G HA2 0.106 4.067 3.960 0.001 0.000 0.262 506 G HA3 0.106 4.067 3.960 0.001 0.000 0.262 506 G C 0.158 174.989 174.900 -0.115 0.000 0.765 506 G CA -0.073 44.965 45.100 -0.104 0.000 2.051 506 G HN 0.040 nan 8.290 nan 0.000 0.602 507 K N 1.769 122.121 120.400 -0.080 0.000 2.167 507 K HA 0.161 4.481 4.320 0.001 0.000 0.275 507 K C 0.534 177.097 176.600 -0.062 0.000 1.103 507 K CA -0.064 56.181 56.287 -0.070 0.000 0.963 507 K CB 0.632 33.103 32.500 -0.049 0.000 1.243 507 K HN 0.183 nan 8.250 nan 0.000 0.407 508 L N 0.073 121.250 121.223 -0.076 0.000 2.695 508 L HA 0.537 4.878 4.340 0.001 0.000 0.211 508 L C 0.372 177.212 176.870 -0.051 0.000 1.839 508 L CA -0.733 54.072 54.840 -0.058 0.000 2.948 508 L CB -1.841 40.174 42.059 -0.073 0.000 2.799 508 L HN 0.462 nan 8.230 nan 0.000 0.731 509 A N 0.476 123.267 122.820 -0.048 0.000 2.018 509 A HA -0.195 4.125 4.320 0.001 0.000 0.263 509 A C -0.099 177.481 177.584 -0.006 0.000 1.361 509 A CA 0.317 52.335 52.037 -0.032 0.000 0.737 509 A CB -2.240 16.727 19.000 -0.056 0.000 1.189 509 A HN 0.554 nan 8.150 nan 0.000 0.304 510 K N 2.499 122.908 120.400 0.016 0.000 1.981 510 K HA 0.202 4.523 4.320 0.001 0.000 0.220 510 K C -0.832 175.796 176.600 0.045 0.000 1.176 510 K CA -0.814 55.491 56.287 0.030 0.000 1.181 510 K CB -0.003 32.525 32.500 0.047 0.000 1.218 510 K HN 0.584 nan 8.250 nan 0.000 0.260 511 P HA -0.157 nan 4.420 nan 0.000 0.217 511 P C 0.673 177.993 177.300 0.033 0.000 1.154 511 P CA 1.098 64.226 63.100 0.048 0.000 0.841 511 P CB 0.335 32.054 31.700 0.031 0.000 0.788 512 R N -0.589 119.918 120.500 0.013 0.000 2.139 512 R HA -0.105 4.235 4.340 0.001 0.000 0.243 512 R C 1.580 177.878 176.300 -0.005 0.000 1.145 512 R CA 0.760 56.858 56.100 -0.004 0.000 0.976 512 R CB -0.744 29.554 30.300 -0.004 0.000 0.866 512 R HN 0.311 nan 8.270 nan 0.000 0.449 513 Q N 0.708 120.521 119.800 0.022 0.000 2.474 513 Q HA 0.066 4.406 4.340 0.001 0.000 0.256 513 Q C -0.914 175.108 176.000 0.037 0.000 1.048 513 Q CA 0.106 55.931 55.803 0.036 0.000 0.922 513 Q CB 0.608 29.386 28.738 0.067 0.000 1.288 513 Q HN 0.040 nan 8.270 nan 0.000 0.484 514 L N 3.164 124.405 121.223 0.031 0.000 2.259 514 L HA 0.315 4.656 4.340 0.001 0.000 0.288 514 L C -1.074 175.888 176.870 0.153 0.000 1.051 514 L CA -0.094 54.760 54.840 0.023 0.000 0.824 514 L CB 0.351 42.399 42.059 -0.019 0.000 1.206 514 L HN 0.692 nan 8.230 nan 0.000 0.429 515 H N 2.955 122.200 119.070 0.292 0.000 2.505 515 H HA 0.334 4.890 4.556 0.001 0.000 0.355 515 H C 0.963 176.348 175.328 0.096 0.000 1.179 515 H CA 0.488 56.641 56.048 0.175 0.000 1.343 515 H CB 1.002 30.802 29.762 0.064 0.000 1.501 515 H HN 0.755 nan 8.280 nan 0.000 0.569 516 N N 0.255 118.638 118.700 -0.528 0.000 2.142 516 N HA -0.174 4.566 4.740 0.001 0.000 0.186 516 N C 1.447 176.943 175.510 -0.024 0.000 1.023 516 N CA 1.554 54.470 53.050 -0.224 0.000 0.852 516 N CB -0.095 38.202 38.487 -0.318 0.000 0.998 516 N HN 0.737 nan 8.380 nan 0.000 0.424 517 T N -0.735 113.843 114.554 0.041 0.000 2.918 517 T HA -0.170 4.180 4.350 0.001 0.000 0.271 517 T C 1.432 176.114 174.700 -0.029 0.000 1.104 517 T CA 1.092 63.174 62.100 -0.031 0.000 1.114 517 T CB -0.476 68.269 68.868 -0.206 0.000 0.855 517 T HN 0.307 nan 8.240 nan 0.000 0.518 518 H N -0.745 118.322 119.070 -0.006 0.000 2.546 518 H HA 0.064 4.620 4.556 0.001 0.000 0.277 518 H C 0.950 176.254 175.328 -0.039 0.000 1.004 518 H CA 0.278 56.215 56.048 -0.184 0.000 1.231 518 H CB -0.413 29.208 29.762 -0.235 0.000 1.382 518 H HN 0.573 nan 8.280 nan 0.000 0.580 519 W N 2.237 123.545 121.300 0.014 0.000 2.385 519 W HA 0.107 4.768 4.660 0.001 0.000 0.336 519 W C 0.917 177.448 176.519 0.019 0.000 1.351 519 W CA 1.565 58.914 57.345 0.007 0.000 1.295 519 W CB -0.040 29.413 29.460 -0.011 0.000 1.239 519 W HN 0.493 nan 8.180 nan 0.000 0.565 520 G N 4.175 112.623 108.800 -0.587 0.000 2.245 520 G HA2 -0.358 3.603 3.960 0.001 0.000 0.264 520 G HA3 -0.358 3.603 3.960 0.001 0.000 0.264 520 G C 0.815 175.655 174.900 -0.101 0.000 0.985 520 G CA 0.711 45.577 45.100 -0.389 0.000 0.625 520 G HN 0.583 nan 8.290 nan 0.000 0.536 521 L N -0.712 120.502 121.223 -0.015 0.000 2.316 521 L HA 0.368 4.709 4.340 0.001 0.000 0.207 521 L C 0.929 177.809 176.870 0.016 0.000 1.070 521 L CA 0.582 55.460 54.840 0.063 0.000 0.820 521 L CB 0.253 42.444 42.059 0.221 0.000 0.992 521 L HN 0.158 nan 8.230 nan 0.000 0.466 522 V N -0.986 118.890 119.914 -0.063 0.000 2.914 522 V HA 0.229 4.349 4.120 0.001 0.000 0.314 522 V C -0.515 175.495 176.094 -0.139 0.000 1.084 522 V CA -1.163 61.072 62.300 -0.108 0.000 0.963 522 V CB 2.798 34.493 31.823 -0.213 0.000 1.025 522 V HN 0.158 nan 8.190 nan 0.000 0.432 523 C N 5.723 124.948 119.300 -0.125 0.000 2.593 523 C HA 0.405 4.865 4.460 0.001 0.000 0.409 523 C C -0.372 174.543 174.990 -0.125 0.000 1.304 523 C CA -0.959 57.988 59.018 -0.119 0.000 2.007 523 C CB 0.686 28.374 27.740 -0.087 0.000 2.614 523 C HN 0.859 nan 8.230 nan 0.000 0.585 524 P HA 0.095 nan 4.420 nan 0.000 0.240 524 P C 0.600 177.868 177.300 -0.053 0.000 1.190 524 P CA 1.269 64.323 63.100 -0.077 0.000 0.781 524 P CB 0.303 31.972 31.700 -0.051 0.000 0.931 525 A N 0.554 123.344 122.820 -0.050 0.000 2.011 525 A HA 0.081 4.401 4.320 0.001 0.000 0.204 525 A C 1.238 178.807 177.584 -0.026 0.000 1.520 525 A CA -0.059 51.960 52.037 -0.029 0.000 0.819 525 A CB -0.787 18.199 19.000 -0.023 0.000 1.087 525 A HN 0.145 nan 8.150 nan 0.000 0.526 526 E N 1.418 121.597 120.200 -0.036 0.000 2.311 526 E HA 0.217 4.567 4.350 0.001 0.000 0.247 526 E C -0.591 175.986 176.600 -0.039 0.000 1.215 526 E CA 0.526 56.907 56.400 -0.031 0.000 0.957 526 E CB -0.267 29.410 29.700 -0.038 0.000 1.020 526 E HN 0.275 nan 8.360 nan 0.000 0.461 527 T N 4.675 119.213 114.554 -0.026 0.000 2.942 527 T HA 0.341 4.691 4.350 0.001 0.000 0.327 527 T C -2.812 171.875 174.700 -0.022 0.000 1.360 527 T CA -1.490 60.590 62.100 -0.033 0.000 1.055 527 T CB 1.479 70.320 68.868 -0.044 0.000 1.261 527 T HN 0.316 nan 8.240 nan 0.000 0.485 528 P HA 0.256 nan 4.420 nan 0.000 0.269 528 P C -0.524 176.753 177.300 -0.038 0.000 1.215 528 P CA -0.143 62.933 63.100 -0.041 0.000 0.780 528 P CB 0.689 32.361 31.700 -0.047 0.000 0.898 529 E N 0.468 120.631 120.200 -0.061 0.000 2.349 529 E HA 0.379 4.729 4.350 0.001 0.000 0.262 529 E C 1.071 177.636 176.600 -0.059 0.000 1.088 529 E CA -0.459 55.902 56.400 -0.066 0.000 0.899 529 E CB 0.213 29.826 29.700 -0.145 0.000 1.044 529 E HN 0.707 nan 8.360 nan 0.000 0.420 530 G N 1.442 110.215 108.800 -0.045 0.000 2.578 530 G HA2 -0.446 3.515 3.960 0.001 0.000 0.313 530 G HA3 -0.446 3.515 3.960 0.001 0.000 0.313 530 G C 0.605 175.483 174.900 -0.036 0.000 1.324 530 G CA 0.897 45.973 45.100 -0.040 0.000 0.955 530 G HN 0.850 nan 8.290 nan 0.000 0.541 531 Q N -2.290 117.488 119.800 -0.037 0.000 2.495 531 Q HA -0.357 3.983 4.340 0.001 0.000 0.447 531 Q C 1.533 177.516 176.000 -0.028 0.000 0.536 531 Q CA 2.598 58.381 55.803 -0.033 0.000 0.992 531 Q CB -1.893 26.822 28.738 -0.039 0.000 2.136 531 Q HN 2.447 nan 8.270 nan 0.000 1.021 532 A N 0.993 123.794 122.820 -0.030 0.000 3.249 532 A HA 0.428 4.748 4.320 0.001 0.000 0.297 532 A C 0.019 177.586 177.584 -0.029 0.000 1.302 532 A CA 0.017 52.038 52.037 -0.027 0.000 1.074 532 A CB -0.091 18.893 19.000 -0.027 0.000 1.132 532 A HN 0.527 nan 8.150 nan 0.000 0.575 533 C N 0.800 120.084 119.300 -0.027 0.000 2.482 533 C HA 0.545 5.006 4.460 0.001 0.000 0.378 533 C C 1.698 176.672 174.990 -0.027 0.000 1.284 533 C CA 1.247 60.250 59.018 -0.026 0.000 1.826 533 C CB -1.196 26.533 27.740 -0.019 0.000 2.473 533 C HN 1.848 nan 8.230 nan 0.000 0.562 534 G N 4.776 113.553 108.800 -0.038 0.000 2.225 534 G HA2 -0.232 3.728 3.960 0.001 0.000 0.254 534 G HA3 -0.232 3.728 3.960 0.001 0.000 0.254 534 G C 0.625 175.496 174.900 -0.048 0.000 0.988 534 G CA 0.532 45.600 45.100 -0.053 0.000 0.625 534 G HN 0.730 nan 8.290 nan 0.000 0.527 535 L N -0.044 121.160 121.223 -0.032 0.000 2.209 535 L HA 0.214 4.555 4.340 0.001 0.000 0.207 535 L C 1.083 177.941 176.870 -0.021 0.000 1.094 535 L CA 0.782 55.610 54.840 -0.020 0.000 0.790 535 L CB 0.038 42.087 42.059 -0.017 0.000 0.932 535 L HN 0.164 nan 8.230 nan 0.000 0.447 536 V N 1.489 121.385 119.914 -0.031 0.000 2.350 536 V HA 0.215 4.336 4.120 0.001 0.000 0.276 536 V C -0.101 175.967 176.094 -0.043 0.000 1.028 536 V CA -0.462 61.821 62.300 -0.029 0.000 0.860 536 V CB 1.400 33.206 31.823 -0.029 0.000 0.990 536 V HN 0.169 nan 8.190 nan 0.000 0.453 537 K N 3.859 124.235 120.400 -0.039 0.000 2.267 537 K HA 0.545 4.865 4.320 0.001 0.000 0.246 537 K C -0.743 175.835 176.600 -0.038 0.000 0.954 537 K CA -0.894 55.353 56.287 -0.067 0.000 0.824 537 K CB 1.832 34.268 32.500 -0.107 0.000 1.167 537 K HN 0.504 nan 8.250 nan 0.000 0.431 538 N N 2.114 120.782 118.700 -0.053 0.000 2.372 538 N HA 0.299 5.040 4.740 0.001 0.000 0.291 538 N C -0.657 174.832 175.510 -0.035 0.000 1.024 538 N CA -0.525 52.505 53.050 -0.034 0.000 0.873 538 N CB 1.393 39.857 38.487 -0.037 0.000 1.206 538 N HN 0.310 nan 8.380 nan 0.000 0.486 539 L N 1.583 122.798 121.223 -0.013 0.000 2.453 539 L HA 0.109 4.450 4.340 0.001 0.000 0.272 539 L C 1.387 178.242 176.870 -0.025 0.000 1.182 539 L CA 0.028 54.865 54.840 -0.006 0.000 0.858 539 L CB 0.279 42.336 42.059 -0.003 0.000 1.120 539 L HN 0.407 nan 8.230 nan 0.000 0.474 540 S N 2.029 117.712 115.700 -0.028 0.000 2.650 540 S HA 0.089 4.560 4.470 0.001 0.000 0.251 540 S C 1.337 175.937 174.600 0.000 0.000 1.325 540 S CA -0.438 57.742 58.200 -0.033 0.000 0.967 540 S CB 0.399 63.566 63.200 -0.055 0.000 1.000 540 S HN 0.490 nan 8.310 nan 0.000 0.584 541 L N 0.272 121.518 121.223 0.038 0.000 2.095 541 L HA -0.050 4.290 4.340 0.001 0.000 0.204 541 L C 2.379 179.375 176.870 0.210 0.000 1.080 541 L CA 0.909 55.813 54.840 0.106 0.000 0.759 541 L CB -0.281 41.882 42.059 0.173 0.000 0.914 541 L HN 0.561 nan 8.230 nan 0.000 0.439 542 M N -0.356 119.365 119.600 0.202 0.000 2.193 542 M HA 0.016 4.496 4.480 0.001 0.000 0.265 542 M C 1.436 177.822 176.300 0.144 0.000 1.071 542 M CA 0.418 55.890 55.300 0.287 0.000 1.140 542 M CB -0.986 31.669 32.600 0.092 0.000 1.369 542 M HN 0.258 nan 8.290 nan 0.000 0.423 543 S N 0.614 116.328 115.700 0.023 0.000 2.536 543 S HA 0.034 4.505 4.470 0.001 0.000 0.290 543 S C 0.158 174.639 174.600 -0.198 0.000 1.302 543 S CA -0.427 57.723 58.200 -0.083 0.000 1.037 543 S CB -0.009 63.170 63.200 -0.037 0.000 0.804 543 S HN 0.487 nan 8.310 nan 0.000 0.506 544 C N 1.324 120.337 119.300 -0.477 0.000 3.318 544 C HA 0.615 5.075 4.460 0.001 0.000 0.322 544 C C -0.736 173.819 174.990 -0.724 0.000 1.398 544 C CA -0.955 57.691 59.018 -0.620 0.000 1.339 544 C CB 1.347 28.605 27.740 -0.803 0.000 1.668 544 C HN 0.857 nan 8.230 nan 0.000 0.462 545 I N 2.095 122.436 120.570 -0.382 0.000 2.493 545 I HA 0.384 4.554 4.170 0.001 0.000 0.298 545 I C 0.563 176.787 176.117 0.179 0.000 0.998 545 I CA 0.112 61.349 61.300 -0.106 0.000 1.137 545 I CB 1.897 39.873 38.000 -0.040 0.000 1.310 545 I HN 0.871 nan 8.210 nan 0.000 0.445 546 S N 4.529 120.414 115.700 0.308 0.000 2.505 546 S HA 0.203 4.673 4.470 0.001 0.000 0.276 546 S C 0.675 175.359 174.600 0.140 0.000 1.274 546 S CA -0.471 57.898 58.200 0.283 0.000 1.053 546 S CB 1.596 64.897 63.200 0.168 0.000 0.919 546 S HN 0.505 nan 8.310 nan 0.000 0.490 547 V N 3.556 123.543 119.914 0.122 0.000 2.725 547 V HA 0.437 4.557 4.120 0.001 0.000 0.247 547 V C 1.080 177.215 176.094 0.068 0.000 1.058 547 V CA 1.483 63.831 62.300 0.080 0.000 1.080 547 V CB -0.593 31.266 31.823 0.061 0.000 0.713 547 V HN 1.646 nan 8.190 nan 0.000 0.465 548 G N 0.142 108.984 108.800 0.070 0.000 3.438 548 G HA2 -0.035 3.926 3.960 0.001 0.000 0.684 548 G HA3 -0.035 3.926 3.960 0.001 0.000 0.684 548 G C -0.378 174.565 174.900 0.073 0.000 1.192 548 G CA -0.200 44.941 45.100 0.069 0.000 1.013 548 G HN 0.484 nan 8.290 nan 0.000 0.530 549 T N 0.990 115.587 114.554 0.071 0.000 3.030 549 T HA 0.717 5.068 4.350 0.001 0.000 0.274 549 T C -0.226 174.518 174.700 0.074 0.000 1.187 549 T CA -0.111 62.033 62.100 0.074 0.000 0.949 549 T CB 1.038 69.938 68.868 0.052 0.000 2.268 549 T HN 0.626 nan 8.240 nan 0.000 0.554 550 D N 0.715 121.149 120.400 0.057 0.000 2.671 550 D HA 0.342 4.982 4.640 0.001 0.000 0.232 550 D C -1.797 174.522 176.300 0.031 0.000 1.114 550 D CA -2.071 51.958 54.000 0.048 0.000 0.858 550 D CB 2.502 43.327 40.800 0.041 0.000 1.544 550 D HN 0.108 nan 8.370 nan 0.000 0.471 551 P HA 0.074 nan 4.420 nan 0.000 0.224 551 P C 1.706 178.993 177.300 -0.020 0.000 1.159 551 P CA 0.385 63.495 63.100 0.016 0.000 0.824 551 P CB 0.759 32.492 31.700 0.054 0.000 0.833 552 M N 0.899 120.495 119.600 -0.008 0.000 2.108 552 M HA -0.046 4.434 4.480 0.001 0.000 0.261 552 M C -0.526 175.774 176.300 0.000 0.000 1.066 552 M CA 2.356 57.646 55.300 -0.016 0.000 1.107 552 M CB -2.098 30.503 32.600 0.001 0.000 1.356 552 M HN -0.002 nan 8.290 nan 0.000 0.406 553 P HA 0.016 nan 4.420 nan 0.000 0.249 553 P C 0.797 178.134 177.300 0.062 0.000 1.241 553 P CA 1.130 64.257 63.100 0.046 0.000 0.781 553 P CB -0.162 31.559 31.700 0.035 0.000 1.088 554 I N -2.200 118.372 120.570 0.003 0.000 4.124 554 I HA 0.032 4.203 4.170 0.001 0.000 0.311 554 I C 2.157 178.271 176.117 -0.004 0.000 1.259 554 I CA -0.107 61.158 61.300 -0.060 0.000 1.315 554 I CB -0.081 37.840 38.000 -0.131 0.000 1.223 554 I HN -0.215 nan 8.210 nan 0.000 0.441 555 I N 1.336 121.874 120.570 -0.052 0.000 2.162 555 I HA -0.165 4.006 4.170 0.001 0.000 0.238 555 I C 2.099 178.213 176.117 -0.005 0.000 1.076 555 I CA 1.826 63.051 61.300 -0.126 0.000 1.353 555 I CB -1.024 36.823 38.000 -0.255 0.000 1.063 555 I HN 0.118 nan 8.210 nan 0.000 0.408 556 T N 0.926 115.493 114.554 0.022 0.000 3.320 556 T HA -0.149 4.201 4.350 0.001 0.000 0.262 556 T C 1.230 175.997 174.700 0.111 0.000 1.187 556 T CA 0.703 62.833 62.100 0.050 0.000 1.038 556 T CB -0.607 68.284 68.868 0.039 0.000 0.939 556 T HN 0.321 nan 8.240 nan 0.000 0.550 557 F N -0.733 119.202 119.950 -0.026 0.000 2.577 557 F HA 0.347 4.875 4.527 0.001 0.000 0.276 557 F C 1.540 177.352 175.800 0.020 0.000 1.032 557 F CA -0.072 57.921 58.000 -0.011 0.000 1.297 557 F CB 0.223 39.173 39.000 -0.084 0.000 1.061 557 F HN -0.022 nan 8.300 nan 0.000 0.680 558 L N 0.395 121.849 121.223 0.386 0.000 2.007 558 L HA -0.155 4.185 4.340 0.001 0.000 0.205 558 L C 2.681 179.652 176.870 0.169 0.000 1.073 558 L CA 1.470 56.469 54.840 0.265 0.000 0.744 558 L CB -0.882 41.240 42.059 0.104 0.000 0.898 558 L HN 0.301 nan 8.230 nan 0.000 0.435 559 S N -0.729 115.027 115.700 0.093 0.000 2.512 559 S HA -0.232 4.238 4.470 0.001 0.000 0.253 559 S C 1.152 175.789 174.600 0.062 0.000 0.984 559 S CA 1.301 59.537 58.200 0.059 0.000 0.962 559 S CB -0.469 62.747 63.200 0.027 0.000 0.747 559 S HN 0.512 nan 8.310 nan 0.000 0.525 560 E N -1.361 118.897 120.200 0.097 0.000 2.685 560 E HA 0.216 4.566 4.350 0.001 0.000 0.208 560 E C -0.740 175.911 176.600 0.084 0.000 0.996 560 E CA -0.258 56.173 56.400 0.051 0.000 1.054 560 E CB 0.334 30.042 29.700 0.012 0.000 1.075 560 E HN 0.728 nan 8.360 nan 0.000 0.460 561 W N -1.016 120.242 121.300 -0.069 0.000 1.526 561 W HA 0.240 4.900 4.660 0.001 0.000 0.218 561 W C 1.075 177.601 176.519 0.012 0.000 0.797 561 W CA 0.075 57.391 57.345 -0.048 0.000 0.997 561 W CB 1.485 30.918 29.460 -0.046 0.000 0.926 561 W HN 0.185 nan 8.180 nan 0.000 0.483 562 G N -0.086 108.841 108.800 0.211 0.000 3.578 562 G HA2 -0.085 3.875 3.960 0.001 0.000 0.220 562 G HA3 -0.085 3.875 3.960 0.001 0.000 0.220 562 G C -0.065 175.101 174.900 0.443 0.000 0.933 562 G CA -0.351 44.960 45.100 0.352 0.000 0.847 562 G HN -0.021 nan 8.290 nan 0.000 0.612 563 M N 2.452 122.171 119.600 0.199 0.000 2.146 563 M HA 0.498 4.978 4.480 0.001 0.000 0.352 563 M C -0.453 175.884 176.300 0.062 0.000 1.343 563 M CA -0.001 55.380 55.300 0.136 0.000 1.115 563 M CB 0.471 33.105 32.600 0.056 0.000 1.657 563 M HN 0.107 nan 8.290 nan 0.000 0.471 564 E N 7.903 128.119 120.200 0.027 0.000 2.044 564 E HA 0.269 4.620 4.350 0.001 0.000 0.282 564 E C -2.211 174.327 176.600 -0.102 0.000 1.031 564 E CA -1.919 54.466 56.400 -0.025 0.000 0.824 564 E CB 0.199 29.890 29.700 -0.015 0.000 1.076 564 E HN 0.487 nan 8.360 nan 0.000 0.395 565 P HA -0.174 nan 4.420 nan 0.000 0.263 565 P C 0.737 177.899 177.300 -0.230 0.000 1.168 565 P CA 0.034 63.059 63.100 -0.125 0.000 0.759 565 P CB 0.856 32.524 31.700 -0.054 0.000 0.782 566 L N 3.932 124.923 121.223 -0.387 0.000 2.051 566 L HA -0.246 4.094 4.340 0.001 0.000 0.214 566 L C 2.373 179.056 176.870 -0.311 0.000 1.076 566 L CA 1.956 56.424 54.840 -0.619 0.000 0.758 566 L CB -0.989 40.626 42.059 -0.740 0.000 0.890 566 L HN 0.349 nan 8.230 nan 0.000 0.433 567 E N -0.114 120.004 120.200 -0.137 0.000 2.164 567 E HA -0.235 4.115 4.350 0.001 0.000 0.206 567 E C 0.356 176.952 176.600 -0.006 0.000 1.032 567 E CA 1.712 58.093 56.400 -0.032 0.000 0.832 567 E CB -0.483 29.196 29.700 -0.035 0.000 0.742 567 E HN 0.632 nan 8.360 nan 0.000 0.460 568 D N -0.445 119.929 120.400 -0.042 0.000 2.683 568 D HA 0.119 4.759 4.640 0.001 0.000 0.309 568 D C -0.774 175.521 176.300 -0.008 0.000 1.238 568 D CA -0.233 53.759 54.000 -0.014 0.000 0.936 568 D CB -0.185 40.599 40.800 -0.026 0.000 1.001 568 D HN 0.045 nan 8.370 nan 0.000 0.505 569 Y N 0.987 121.168 120.300 -0.198 0.000 2.509 569 Y HA 0.494 5.045 4.550 0.001 0.000 0.341 569 Y C -0.839 174.989 175.900 -0.119 0.000 1.038 569 Y CA -1.132 56.793 58.100 -0.291 0.000 1.089 569 Y CB 1.621 39.662 38.460 -0.697 0.000 1.241 569 Y HN -0.028 nan 8.280 nan 0.000 0.468 570 V N 5.274 124.722 119.914 -0.777 0.000 2.567 570 V HA 0.440 4.561 4.120 0.001 0.000 0.298 570 V C -2.322 173.198 176.094 -0.958 0.000 1.047 570 V CA -1.763 60.152 62.300 -0.642 0.000 0.880 570 V CB 1.237 32.810 31.823 -0.417 0.000 1.009 570 V HN 0.706 nan 8.190 nan 0.000 0.429 571 P HA -0.262 nan 4.420 nan 0.000 0.207 571 P C 1.446 178.589 177.300 -0.262 0.000 0.926 571 P CA 2.439 65.300 63.100 -0.400 0.000 0.982 571 P CB -0.255 31.477 31.700 0.052 0.000 0.686 572 H N -0.273 118.744 119.070 -0.089 0.000 2.460 572 H HA -0.166 4.390 4.556 0.001 0.000 0.297 572 H C 2.073 177.362 175.328 -0.065 0.000 1.103 572 H CA 1.792 57.815 56.048 -0.043 0.000 1.292 572 H CB -1.306 28.447 29.762 -0.015 0.000 1.376 572 H HN 0.372 nan 8.280 nan 0.000 0.531 573 Q N 1.458 121.080 119.800 -0.296 0.000 2.224 573 Q HA -0.025 4.316 4.340 0.001 0.000 0.203 573 Q C 0.058 175.980 176.000 -0.129 0.000 0.970 573 Q CA 0.943 56.632 55.803 -0.190 0.000 0.865 573 Q CB 0.412 28.998 28.738 -0.252 0.000 0.922 573 Q HN 0.278 nan 8.270 nan 0.000 0.445 574 S N 1.593 117.191 115.700 -0.170 0.000 2.542 574 S HA 0.231 4.701 4.470 0.001 0.000 0.245 574 S C -2.167 172.430 174.600 -0.005 0.000 1.325 574 S CA -1.122 57.032 58.200 -0.076 0.000 1.176 574 S CB 1.734 64.894 63.200 -0.067 0.000 1.045 574 S HN 0.304 nan 8.310 nan 0.000 0.481 575 P HA 0.019 nan 4.420 nan 0.000 0.216 575 P C 0.124 177.499 177.300 0.124 0.000 1.156 575 P CA 0.940 64.098 63.100 0.097 0.000 0.855 575 P CB 0.221 31.971 31.700 0.084 0.000 0.786 576 D N 0.278 120.736 120.400 0.096 0.000 2.370 576 D HA 0.203 4.844 4.640 0.001 0.000 0.230 576 D C 0.497 176.862 176.300 0.108 0.000 1.143 576 D CA -0.045 54.014 54.000 0.098 0.000 0.834 576 D CB -0.078 40.762 40.800 0.067 0.000 0.944 576 D HN 0.112 nan 8.370 nan 0.000 0.504 577 A N 0.721 123.626 122.820 0.142 0.000 2.561 577 A HA 0.059 4.379 4.320 0.001 0.000 0.251 577 A C 0.845 178.517 177.584 0.147 0.000 1.062 577 A CA 0.463 52.595 52.037 0.158 0.000 0.761 577 A CB -0.017 19.158 19.000 0.292 0.000 0.986 577 A HN 0.001 nan 8.150 nan 0.000 0.510 578 T N 4.751 119.376 114.554 0.119 0.000 3.379 578 T HA 0.223 4.574 4.350 0.001 0.000 0.274 578 T C 0.570 175.347 174.700 0.128 0.000 1.555 578 T CA -0.412 61.764 62.100 0.127 0.000 1.297 578 T CB -0.693 68.252 68.868 0.128 0.000 1.132 578 T HN 0.823 nan 8.240 nan 0.000 0.722 579 R N 0.309 120.885 120.500 0.126 0.000 2.503 579 R HA 0.075 4.416 4.340 0.001 0.000 0.271 579 R C -0.756 175.591 176.300 0.079 0.000 0.960 579 R CA -0.016 56.192 56.100 0.180 0.000 1.104 579 R CB -0.246 30.192 30.300 0.231 0.000 0.879 579 R HN 0.125 nan 8.270 nan 0.000 0.420 580 V N 3.377 123.341 119.914 0.082 0.000 2.628 580 V HA 0.514 4.634 4.120 0.001 0.000 0.306 580 V C -0.477 175.547 176.094 -0.118 0.000 1.045 580 V CA -0.685 61.627 62.300 0.019 0.000 0.905 580 V CB 1.284 33.143 31.823 0.059 0.000 0.997 580 V HN 0.580 nan 8.190 nan 0.000 0.436 581 F N 2.379 122.353 119.950 0.040 0.000 2.561 581 F HA 0.802 5.329 4.527 0.001 0.000 0.321 581 F C -0.101 175.694 175.800 -0.009 0.000 1.065 581 F CA -0.948 57.071 58.000 0.032 0.000 0.934 581 F CB 2.236 41.182 39.000 -0.090 0.000 1.215 581 F HN 0.210 nan 8.300 nan 0.000 0.471 582 V N 2.785 122.861 119.914 0.271 0.000 2.655 582 V HA 0.295 4.415 4.120 0.001 0.000 0.301 582 V C -0.915 175.300 176.094 0.202 0.000 1.082 582 V CA -1.017 61.372 62.300 0.148 0.000 0.899 582 V CB 1.532 33.465 31.823 0.182 0.000 1.014 582 V HN 0.820 nan 8.190 nan 0.000 0.429 583 N N 4.279 123.064 118.700 0.142 0.000 2.721 583 N HA -0.192 4.548 4.740 0.001 0.000 0.249 583 N C 1.021 176.709 175.510 0.298 0.000 1.072 583 N CA 2.017 55.249 53.050 0.303 0.000 0.710 583 N CB -1.124 37.511 38.487 0.247 0.000 0.993 583 N HN 1.725 nan 8.380 nan 0.000 0.547 584 G N -3.031 105.946 108.800 0.294 0.000 2.143 584 G HA2 -0.263 3.697 3.960 0.001 0.000 0.248 584 G HA3 -0.263 3.697 3.960 0.001 0.000 0.248 584 G C -0.098 175.075 174.900 0.456 0.000 0.991 584 G CA 0.394 45.684 45.100 0.317 0.000 0.689 584 G HN 0.599 nan 8.290 nan 0.000 0.522 585 V N -0.424 119.736 119.914 0.410 0.000 2.604 585 V HA 0.668 4.788 4.120 0.001 0.000 0.305 585 V C -0.246 175.948 176.094 0.168 0.000 1.043 585 V CA -1.141 61.280 62.300 0.201 0.000 0.888 585 V CB 1.925 33.672 31.823 -0.126 0.000 0.995 585 V HN 0.296 nan 8.190 nan 0.000 0.429 586 W N 4.463 125.660 121.300 -0.172 0.000 2.367 586 W HA 0.444 5.104 4.660 0.001 0.000 0.329 586 W C 0.915 177.186 176.519 -0.413 0.000 1.066 586 W CA -0.726 56.335 57.345 -0.474 0.000 1.435 586 W CB 0.078 29.334 29.460 -0.340 0.000 1.296 586 W HN 0.683 nan 8.180 nan 0.000 0.401 587 H N 3.302 122.343 119.070 -0.048 0.000 2.539 587 H HA 0.289 4.845 4.556 0.001 0.000 0.269 587 H C 1.186 176.354 175.328 -0.267 0.000 0.980 587 H CA 1.130 57.103 56.048 -0.124 0.000 1.152 587 H CB 0.420 30.155 29.762 -0.046 0.000 1.407 587 H HN 0.540 nan 8.280 nan 0.000 0.564 588 G N -0.194 108.343 108.800 -0.440 0.000 2.340 588 G HA2 0.079 4.040 3.960 0.001 0.000 0.282 588 G HA3 0.079 4.040 3.960 0.001 0.000 0.282 588 G C -1.400 173.213 174.900 -0.478 0.000 1.312 588 G CA -0.320 44.434 45.100 -0.577 0.000 0.942 588 G HN 0.084 nan 8.290 nan 0.000 0.495 589 V N -0.642 119.059 119.914 -0.355 0.000 3.181 589 V HA 0.945 5.066 4.120 0.001 0.000 0.314 589 V C -0.353 175.769 176.094 0.047 0.000 1.173 589 V CA -0.512 61.692 62.300 -0.159 0.000 1.052 589 V CB 2.052 33.697 31.823 -0.297 0.000 1.123 589 V HN 1.359 nan 8.190 nan 0.000 0.454 590 H N -0.433 118.629 119.070 -0.012 0.000 3.085 590 H HA 0.547 5.103 4.556 0.001 0.000 0.356 590 H C 0.094 175.450 175.328 0.048 0.000 1.178 590 H CA -0.620 55.444 56.048 0.025 0.000 1.214 590 H CB 1.518 31.306 29.762 0.043 0.000 1.881 590 H HN 0.547 nan 8.280 nan 0.000 0.538 591 R N 1.579 121.745 120.500 -0.557 0.000 0.619 591 R HA 0.057 4.398 4.340 0.001 0.000 0.051 591 R C 0.281 176.375 176.300 -0.342 0.000 0.553 591 R CA -0.446 55.451 56.100 -0.339 0.000 2.162 591 R CB -0.568 29.575 30.300 -0.263 0.000 0.537 591 R HN 0.573 nan 8.270 nan 0.000 0.796 592 N N 3.176 121.726 118.700 -0.250 0.000 2.394 592 N HA -0.051 4.690 4.740 0.001 0.000 0.277 592 N C -1.765 173.817 175.510 0.120 0.000 1.346 592 N CA -0.519 52.502 53.050 -0.049 0.000 0.910 592 N CB 0.916 39.401 38.487 -0.002 0.000 1.201 592 N HN 0.251 nan 8.380 nan 0.000 0.488 593 P HA 0.035 nan 4.420 nan 0.000 0.221 593 P C 1.101 178.511 177.300 0.183 0.000 1.152 593 P CA 0.477 63.778 63.100 0.335 0.000 0.851 593 P CB 0.062 31.920 31.700 0.262 0.000 0.833 594 A N 1.492 124.389 122.820 0.129 0.000 1.997 594 A HA -0.307 4.014 4.320 0.001 0.000 0.226 594 A C 2.391 180.029 177.584 0.089 0.000 1.327 594 A CA 2.468 54.560 52.037 0.091 0.000 0.693 594 A CB -1.461 17.585 19.000 0.076 0.000 0.832 594 A HN 0.184 nan 8.150 nan 0.000 0.497 595 R N -1.759 118.814 120.500 0.121 0.000 2.052 595 R HA 0.024 4.364 4.340 0.001 0.000 0.226 595 R C 2.187 178.549 176.300 0.104 0.000 1.145 595 R CA 1.097 57.270 56.100 0.122 0.000 0.952 595 R CB -0.748 29.652 30.300 0.167 0.000 0.847 595 R HN 0.489 nan 8.270 nan 0.000 0.431 596 L N 1.254 122.551 121.223 0.124 0.000 2.123 596 L HA -0.274 4.067 4.340 0.001 0.000 0.217 596 L C 2.138 178.994 176.870 -0.024 0.000 1.081 596 L CA 1.857 56.706 54.840 0.016 0.000 0.772 596 L CB -0.426 41.544 42.059 -0.149 0.000 0.890 596 L HN 0.184 nan 8.230 nan 0.000 0.437 597 M N -0.002 119.604 119.600 0.010 0.000 2.226 597 M HA -0.164 4.317 4.480 0.001 0.000 0.261 597 M C 2.283 178.568 176.300 -0.025 0.000 1.095 597 M CA 2.194 57.489 55.300 -0.009 0.000 1.100 597 M CB -0.894 31.718 32.600 0.020 0.000 1.240 597 M HN 0.350 nan 8.290 nan 0.000 0.444 598 E N -1.158 119.042 120.200 0.000 0.000 2.236 598 E HA -0.251 4.099 4.350 0.001 0.000 0.205 598 E C 1.535 178.115 176.600 -0.033 0.000 1.028 598 E CA 2.367 58.763 56.400 -0.007 0.000 0.827 598 E CB -0.220 29.489 29.700 0.014 0.000 0.735 598 E HN 0.670 nan 8.360 nan 0.000 0.470 599 T N 0.273 114.802 114.554 -0.041 0.000 2.737 599 T HA -0.107 4.244 4.350 0.001 0.000 0.265 599 T C 1.790 176.387 174.700 -0.171 0.000 1.038 599 T CA 1.253 63.293 62.100 -0.100 0.000 1.144 599 T CB -0.211 68.576 68.868 -0.136 0.000 0.866 599 T HN 0.139 nan 8.240 nan 0.000 0.434 600 L N 0.454 121.565 121.223 -0.187 0.000 1.989 600 L HA -0.093 4.247 4.340 0.001 0.000 0.211 600 L C 2.821 179.584 176.870 -0.179 0.000 1.071 600 L CA 1.435 56.127 54.840 -0.247 0.000 0.749 600 L CB -0.470 41.458 42.059 -0.219 0.000 0.890 600 L HN 0.118 nan 8.230 nan 0.000 0.431 601 R N -0.825 119.607 120.500 -0.113 0.000 2.316 601 R HA -0.128 4.213 4.340 0.001 0.000 0.232 601 R C 1.603 177.853 176.300 -0.082 0.000 1.137 601 R CA 1.472 57.524 56.100 -0.080 0.000 1.012 601 R CB -0.230 30.046 30.300 -0.040 0.000 0.859 601 R HN 0.442 nan 8.270 nan 0.000 0.474 602 T N -0.328 114.169 114.554 -0.095 0.000 2.990 602 T HA 0.113 4.464 4.350 0.001 0.000 0.249 602 T C 1.494 176.136 174.700 -0.096 0.000 1.039 602 T CA -0.318 61.734 62.100 -0.080 0.000 1.036 602 T CB 0.319 69.153 68.868 -0.056 0.000 0.994 602 T HN 0.037 nan 8.240 nan 0.000 0.489 603 L N 1.917 123.056 121.223 -0.140 0.000 2.093 603 L HA 0.009 4.350 4.340 0.001 0.000 0.208 603 L C 2.648 179.432 176.870 -0.143 0.000 1.085 603 L CA 1.660 56.405 54.840 -0.159 0.000 0.755 603 L CB -0.655 41.225 42.059 -0.298 0.000 0.904 603 L HN 0.282 nan 8.230 nan 0.000 0.435 604 R N 0.619 121.030 120.500 -0.149 0.000 2.064 604 R HA -0.153 4.187 4.340 0.001 0.000 0.228 604 R C 2.044 178.279 176.300 -0.108 0.000 1.144 604 R CA 1.110 57.135 56.100 -0.126 0.000 0.932 604 R CB -0.338 29.891 30.300 -0.120 0.000 0.833 604 R HN 0.210 nan 8.270 nan 0.000 0.429 605 R N 0.526 120.964 120.500 -0.104 0.000 2.438 605 R HA -0.158 4.182 4.340 0.001 0.000 0.227 605 R C 2.027 178.270 176.300 -0.094 0.000 1.153 605 R CA 1.296 57.333 56.100 -0.107 0.000 1.059 605 R CB -0.134 30.109 30.300 -0.095 0.000 0.831 605 R HN 0.386 nan 8.270 nan 0.000 0.487 606 K N -0.658 119.695 120.400 -0.078 0.000 2.286 606 K HA 0.016 4.336 4.320 0.001 0.000 0.203 606 K C 0.862 177.432 176.600 -0.051 0.000 1.078 606 K CA 1.156 57.409 56.287 -0.056 0.000 0.957 606 K CB 0.821 33.298 32.500 -0.039 0.000 1.018 606 K HN 0.207 nan 8.250 nan 0.000 0.484 607 G N 1.179 109.946 108.800 -0.055 0.000 2.215 607 G HA2 -0.096 3.864 3.960 0.001 0.000 0.187 607 G HA3 -0.096 3.864 3.960 0.001 0.000 0.187 607 G C -0.076 174.806 174.900 -0.031 0.000 1.039 607 G CA 0.095 45.170 45.100 -0.041 0.000 0.771 607 G HN 0.299 nan 8.290 nan 0.000 0.507 608 D N 0.098 120.470 120.400 -0.048 0.000 2.338 608 D HA 0.170 4.811 4.640 0.001 0.000 0.224 608 D C 1.204 177.458 176.300 -0.077 0.000 0.967 608 D CA 0.496 54.469 54.000 -0.044 0.000 0.896 608 D CB 0.766 41.544 40.800 -0.036 0.000 1.028 608 D HN 0.408 nan 8.370 nan 0.000 0.493 609 I N 2.662 123.160 120.570 -0.121 0.000 2.287 609 I HA 0.055 4.225 4.170 0.001 0.000 0.290 609 I C 0.358 176.422 176.117 -0.089 0.000 1.069 609 I CA -0.585 60.631 61.300 -0.140 0.000 1.237 609 I CB 0.491 38.366 38.000 -0.209 0.000 1.418 609 I HN -0.156 nan 8.210 nan 0.000 0.481 610 N N 8.601 127.271 118.700 -0.051 0.000 2.030 610 N HA -0.099 4.641 4.740 0.001 0.000 0.292 610 N C -1.619 173.872 175.510 -0.033 0.000 1.315 610 N CA -0.422 52.616 53.050 -0.020 0.000 0.810 610 N CB 0.996 39.489 38.487 0.010 0.000 1.048 610 N HN 0.307 nan 8.380 nan 0.000 0.492 611 P HA -0.134 nan 4.420 nan 0.000 0.227 611 P C 0.872 178.159 177.300 -0.022 0.000 1.145 611 P CA 0.958 64.022 63.100 -0.059 0.000 0.769 611 P CB 0.301 31.924 31.700 -0.128 0.000 0.769 612 E N -0.344 119.847 120.200 -0.016 0.000 2.016 612 E HA -0.065 4.285 4.350 0.001 0.000 0.190 612 E C 0.148 176.666 176.600 -0.136 0.000 0.985 612 E CA 0.362 56.683 56.400 -0.131 0.000 0.802 612 E CB -0.143 29.537 29.700 -0.034 0.000 0.762 612 E HN -0.150 nan 8.360 nan 0.000 0.448 613 V N 2.747 122.629 119.914 -0.052 0.000 2.625 613 V HA -0.106 4.015 4.120 0.001 0.000 0.305 613 V C 0.301 176.383 176.094 -0.021 0.000 1.055 613 V CA 0.645 62.935 62.300 -0.017 0.000 1.209 613 V CB 0.409 32.219 31.823 -0.022 0.000 0.877 613 V HN 0.322 nan 8.190 nan 0.000 0.489 614 S N 6.224 121.946 115.700 0.036 0.000 2.608 614 S HA 0.906 5.376 4.470 0.001 0.000 0.291 614 S C -0.770 173.854 174.600 0.039 0.000 1.146 614 S CA -0.993 57.236 58.200 0.048 0.000 1.043 614 S CB 1.818 65.081 63.200 0.105 0.000 1.037 614 S HN 0.565 nan 8.310 nan 0.000 0.520 615 M N 2.002 121.605 119.600 0.005 0.000 2.324 615 M HA 0.524 5.004 4.480 0.001 0.000 0.288 615 M C -1.825 174.466 176.300 -0.015 0.000 1.097 615 M CA -0.401 54.876 55.300 -0.038 0.000 0.928 615 M CB 1.823 34.385 32.600 -0.064 0.000 1.648 615 M HN 0.520 nan 8.290 nan 0.000 0.460 616 I N 1.727 122.280 120.570 -0.029 0.000 2.608 616 I HA 0.604 4.774 4.170 0.001 0.000 0.295 616 I C -0.462 175.654 176.117 -0.002 0.000 1.049 616 I CA -0.594 60.706 61.300 0.000 0.000 1.063 616 I CB 2.123 40.134 38.000 0.019 0.000 1.248 616 I HN 0.658 nan 8.210 nan 0.000 0.424 617 R N 3.281 123.792 120.500 0.018 0.000 2.337 617 R HA 0.311 4.651 4.340 0.001 0.000 0.319 617 R C -1.274 175.046 176.300 0.033 0.000 0.954 617 R CA -0.454 55.662 56.100 0.028 0.000 0.840 617 R CB 0.861 31.182 30.300 0.034 0.000 1.164 617 R HN 0.635 nan 8.270 nan 0.000 0.472 618 D N 6.489 126.909 120.400 0.034 0.000 2.499 618 D HA 0.114 4.755 4.640 0.001 0.000 0.225 618 D C 1.436 177.763 176.300 0.045 0.000 1.124 618 D CA -0.231 53.789 54.000 0.034 0.000 0.938 618 D CB 0.572 41.388 40.800 0.026 0.000 1.014 618 D HN 0.620 nan 8.370 nan 0.000 0.517 619 I N 2.300 122.896 120.570 0.044 0.000 2.091 619 I HA -0.325 3.845 4.170 0.001 0.000 0.239 619 I C 2.231 178.379 176.117 0.051 0.000 1.061 619 I CA 1.042 62.372 61.300 0.050 0.000 1.317 619 I CB -0.067 37.959 38.000 0.043 0.000 1.031 619 I HN 0.253 nan 8.210 nan 0.000 0.401 620 R N 0.275 120.801 120.500 0.043 0.000 2.249 620 R HA -0.209 4.132 4.340 0.001 0.000 0.230 620 R C 1.768 178.097 176.300 0.049 0.000 1.121 620 R CA 1.165 57.290 56.100 0.042 0.000 0.997 620 R CB -0.246 30.072 30.300 0.032 0.000 0.867 620 R HN 0.362 nan 8.270 nan 0.000 0.465 621 E N 0.539 120.772 120.200 0.054 0.000 2.465 621 E HA 0.060 4.411 4.350 0.001 0.000 0.209 621 E C -0.674 175.980 176.600 0.090 0.000 0.951 621 E CA 0.029 56.468 56.400 0.066 0.000 0.997 621 E CB 0.502 30.233 29.700 0.052 0.000 1.025 621 E HN 0.022 nan 8.360 nan 0.000 0.500 622 K N 1.221 121.671 120.400 0.084 0.000 3.851 622 K HA -0.168 4.152 4.320 0.001 0.000 0.284 622 K C -1.130 175.534 176.600 0.106 0.000 1.048 622 K CA 0.826 57.172 56.287 0.098 0.000 0.862 622 K CB -1.449 31.121 32.500 0.118 0.000 1.439 622 K HN 0.237 nan 8.250 nan 0.000 0.446 623 E N 0.586 120.841 120.200 0.091 0.000 2.343 623 E HA 0.423 4.773 4.350 0.001 0.000 0.278 623 E C -1.402 175.249 176.600 0.086 0.000 0.910 623 E CA -1.158 55.304 56.400 0.104 0.000 0.757 623 E CB 1.981 31.733 29.700 0.088 0.000 1.218 623 E HN 0.091 nan 8.360 nan 0.000 0.435 624 L N 2.826 124.114 121.223 0.109 0.000 2.318 624 L HA 0.342 4.682 4.340 0.001 0.000 0.277 624 L C -1.133 175.765 176.870 0.047 0.000 1.008 624 L CA -0.454 54.422 54.840 0.060 0.000 0.846 624 L CB 0.643 42.732 42.059 0.051 0.000 1.220 624 L HN 0.276 nan 8.230 nan 0.000 0.423 625 K N 6.592 126.963 120.400 -0.048 0.000 2.211 625 K HA 0.556 4.877 4.320 0.001 0.000 0.275 625 K C -0.980 175.439 176.600 -0.301 0.000 1.024 625 K CA -0.328 55.831 56.287 -0.213 0.000 0.887 625 K CB 1.887 34.224 32.500 -0.270 0.000 1.084 625 K HN 0.560 nan 8.250 nan 0.000 0.463 626 I N 3.969 124.296 120.570 -0.405 0.000 2.478 626 I HA 0.370 4.541 4.170 0.001 0.000 0.287 626 I C -0.759 175.137 176.117 -0.368 0.000 1.042 626 I CA -0.722 60.401 61.300 -0.294 0.000 1.067 626 I CB 1.194 39.116 38.000 -0.129 0.000 1.233 626 I HN 0.394 nan 8.210 nan 0.000 0.431 627 F N 3.415 123.375 119.950 0.016 0.000 2.522 627 F HA 0.450 4.977 4.527 0.001 0.000 0.324 627 F C 0.996 176.797 175.800 0.001 0.000 1.077 627 F CA -0.372 57.637 58.000 0.015 0.000 0.944 627 F CB 2.420 41.422 39.000 0.004 0.000 1.175 627 F HN 0.334 nan 8.300 nan 0.000 0.468 628 T N -1.202 113.505 114.554 0.256 0.000 3.010 628 T HA -0.004 4.346 4.350 0.001 0.000 0.253 628 T C -0.078 174.685 174.700 0.105 0.000 0.939 628 T CA -0.190 61.989 62.100 0.132 0.000 0.910 628 T CB -0.015 68.913 68.868 0.100 0.000 1.226 628 T HN 0.521 nan 8.240 nan 0.000 0.508 629 D N 2.314 122.782 120.400 0.113 0.000 2.844 629 D HA -0.028 4.613 4.640 0.001 0.000 0.217 629 D C 0.069 176.383 176.300 0.023 0.000 1.121 629 D CA 0.528 54.554 54.000 0.043 0.000 0.829 629 D CB 0.479 41.256 40.800 -0.037 0.000 1.194 629 D HN 0.356 nan 8.370 nan 0.000 0.513 630 A N 2.260 125.095 122.820 0.025 0.000 2.415 630 A HA 0.530 4.851 4.320 0.001 0.000 0.309 630 A C 0.939 178.526 177.584 0.004 0.000 1.356 630 A CA 0.422 52.478 52.037 0.032 0.000 0.998 630 A CB 0.294 19.323 19.000 0.049 0.000 1.145 630 A HN 0.672 nan 8.150 nan 0.000 0.545 631 G N 2.364 111.166 108.800 0.003 0.000 2.321 631 G HA2 -0.060 3.901 3.960 0.001 0.000 0.219 631 G HA3 -0.060 3.901 3.960 0.001 0.000 0.219 631 G C -0.140 174.715 174.900 -0.074 0.000 1.057 631 G CA -0.829 44.251 45.100 -0.034 0.000 0.849 631 G HN 0.709 nan 8.290 nan 0.000 0.520 632 R N 0.490 120.984 120.500 -0.011 0.000 2.294 632 R HA 0.551 4.891 4.340 0.001 0.000 0.319 632 R C 0.337 176.690 176.300 0.089 0.000 0.984 632 R CA -0.601 55.489 56.100 -0.015 0.000 0.861 632 R CB 2.063 32.373 30.300 0.017 0.000 1.104 632 R HN 0.075 nan 8.270 nan 0.000 0.451 633 V N 5.133 125.034 119.914 -0.022 0.000 2.555 633 V HA 0.162 4.282 4.120 0.001 0.000 0.286 633 V C -0.474 175.719 176.094 0.165 0.000 1.044 633 V CA -0.044 62.273 62.300 0.029 0.000 1.026 633 V CB -0.104 31.793 31.823 0.123 0.000 0.981 633 V HN 0.707 nan 8.190 nan 0.000 0.480 634 Y N 3.822 124.148 120.300 0.042 0.000 2.519 634 Y HA 0.817 5.368 4.550 0.001 0.000 0.336 634 Y C -0.607 175.304 175.900 0.019 0.000 1.089 634 Y CA -1.632 56.496 58.100 0.047 0.000 1.025 634 Y CB 1.360 39.843 38.460 0.037 0.000 1.318 634 Y HN 0.688 nan 8.280 nan 0.000 0.452 635 R N 2.424 123.052 120.500 0.213 0.000 2.902 635 R HA 0.737 5.078 4.340 0.001 0.000 0.258 635 R C -3.236 173.204 176.300 0.234 0.000 1.071 635 R CA -2.009 54.164 56.100 0.122 0.000 1.024 635 R CB 2.348 32.697 30.300 0.081 0.000 1.184 635 R HN 0.538 nan 8.270 nan 0.000 0.492 636 P HA 0.392 nan 4.420 nan 0.000 0.288 636 P C -0.939 176.420 177.300 0.099 0.000 1.267 636 P CA -0.523 62.728 63.100 0.252 0.000 0.815 636 P CB 1.558 33.375 31.700 0.195 0.000 0.989 637 L N 3.070 124.364 121.223 0.118 0.000 2.422 637 L HA 0.462 4.802 4.340 0.001 0.000 0.264 637 L C 0.143 177.141 176.870 0.214 0.000 0.984 637 L CA -1.090 53.812 54.840 0.102 0.000 0.819 637 L CB 2.307 44.434 42.059 0.114 0.000 1.330 637 L HN 0.323 nan 8.230 nan 0.000 0.410 638 F N 2.610 122.609 119.950 0.083 0.000 2.495 638 F HA 0.148 4.676 4.527 0.001 0.000 0.365 638 F C 0.380 176.202 175.800 0.037 0.000 1.090 638 F CA -0.711 57.301 58.000 0.020 0.000 1.235 638 F CB 1.046 40.045 39.000 -0.001 0.000 1.119 638 F HN 0.220 nan 8.300 nan 0.000 0.562 639 I N 4.355 124.996 120.570 0.119 0.000 2.428 639 I HA 0.029 4.199 4.170 0.001 0.000 0.289 639 I C 0.648 176.684 176.117 -0.134 0.000 1.019 639 I CA 0.221 61.458 61.300 -0.105 0.000 1.351 639 I CB 1.479 39.388 38.000 -0.152 0.000 1.412 639 I HN 0.347 nan 8.210 nan 0.000 0.513 640 V N 3.987 123.801 119.914 -0.166 0.000 3.578 640 V HA 0.130 4.250 4.120 0.001 0.000 0.290 640 V C 0.448 176.475 176.094 -0.113 0.000 1.376 640 V CA -0.199 62.036 62.300 -0.109 0.000 1.083 640 V CB -0.972 30.839 31.823 -0.021 0.000 0.911 640 V HN 0.686 nan 8.190 nan 0.000 0.433 641 E N 2.882 123.002 120.200 -0.134 0.000 3.691 641 E HA -0.216 4.135 4.350 0.001 0.000 0.274 641 E C 1.102 177.650 176.600 -0.087 0.000 0.807 641 E CA 0.932 57.272 56.400 -0.099 0.000 0.979 641 E CB 0.149 29.789 29.700 -0.099 0.000 0.904 641 E HN 0.705 nan 8.360 nan 0.000 0.568 642 D N 2.442 122.806 120.400 -0.060 0.000 2.389 642 D HA -0.206 4.435 4.640 0.001 0.000 0.221 642 D C -0.292 175.969 176.300 -0.065 0.000 0.974 642 D CA 0.308 54.269 54.000 -0.065 0.000 0.923 642 D CB -0.048 40.742 40.800 -0.016 0.000 0.892 642 D HN 0.217 nan 8.370 nan 0.000 0.518 643 D N 1.789 122.155 120.400 -0.056 0.000 2.569 643 D HA -0.009 4.632 4.640 0.001 0.000 0.254 643 D C -0.055 176.213 176.300 -0.052 0.000 1.274 643 D CA 0.757 54.730 54.000 -0.045 0.000 1.306 643 D CB -0.130 40.645 40.800 -0.042 0.000 1.139 643 D HN 0.254 nan 8.370 nan 0.000 0.511 644 E N 0.292 120.462 120.200 -0.050 0.000 2.829 644 E HA -0.004 4.346 4.350 0.001 0.000 0.350 644 E C 0.868 177.452 176.600 -0.026 0.000 1.119 644 E CA -0.152 56.219 56.400 -0.049 0.000 0.764 644 E CB 0.527 30.175 29.700 -0.087 0.000 1.576 644 E HN 0.148 nan 8.360 nan 0.000 0.379 645 S N 1.564 117.256 115.700 -0.013 0.000 2.428 645 S HA -0.191 4.280 4.470 0.001 0.000 0.240 645 S C 1.362 175.967 174.600 0.008 0.000 1.036 645 S CA 0.888 59.088 58.200 0.000 0.000 1.009 645 S CB -0.312 62.888 63.200 0.000 0.000 0.803 645 S HN 0.498 nan 8.310 nan 0.000 0.486 646 L N 2.243 123.469 121.223 0.004 0.000 2.955 646 L HA 0.513 4.853 4.340 0.001 0.000 0.238 646 L C 1.215 178.106 176.870 0.035 0.000 1.359 646 L CA -0.041 54.808 54.840 0.015 0.000 1.214 646 L CB -0.885 41.179 42.059 0.007 0.000 1.600 646 L HN 0.641 nan 8.230 nan 0.000 0.442 647 G N -1.184 107.647 108.800 0.052 0.000 2.292 647 G HA2 -0.091 3.869 3.960 0.001 0.000 0.194 647 G HA3 -0.091 3.869 3.960 0.001 0.000 0.194 647 G C -0.346 174.638 174.900 0.140 0.000 1.329 647 G CA -0.143 45.027 45.100 0.117 0.000 1.100 647 G HN 0.243 nan 8.290 nan 0.000 0.470 648 H N 0.889 119.966 119.070 0.012 0.000 3.402 648 H HA 0.695 5.251 4.556 0.001 0.000 0.121 648 H C 0.327 175.664 175.328 0.016 0.000 1.550 648 H CA 0.452 56.513 56.048 0.021 0.000 1.622 648 H CB -0.432 29.349 29.762 0.033 0.000 0.920 648 H HN 0.501 nan 8.280 nan 0.000 0.784 649 K N 0.036 120.238 120.400 -0.331 0.000 2.144 649 K HA 0.302 4.622 4.320 0.001 0.000 0.270 649 K C -0.802 175.452 176.600 -0.577 0.000 1.005 649 K CA -0.147 55.972 56.287 -0.280 0.000 0.932 649 K CB 0.799 33.299 32.500 0.000 0.000 1.021 649 K HN 0.628 nan 8.250 nan 0.000 0.462 650 E N 2.252 122.263 120.200 -0.316 0.000 2.380 650 E HA 0.197 4.547 4.350 0.001 0.000 0.281 650 E C -1.619 174.868 176.600 -0.187 0.000 0.999 650 E CA -0.495 55.738 56.400 -0.279 0.000 0.800 650 E CB 0.692 30.218 29.700 -0.290 0.000 1.228 650 E HN 0.442 nan 8.360 nan 0.000 0.436 651 L N 5.121 126.234 121.223 -0.184 0.000 2.654 651 L HA 0.076 4.416 4.340 0.001 0.000 0.271 651 L C 1.508 178.252 176.870 -0.211 0.000 1.169 651 L CA 0.191 54.899 54.840 -0.219 0.000 0.947 651 L CB 0.132 42.005 42.059 -0.310 0.000 1.232 651 L HN 0.632 nan 8.230 nan 0.000 0.486 652 K N 2.065 122.350 120.400 -0.192 0.000 2.228 652 K HA -0.117 4.204 4.320 0.001 0.000 0.205 652 K C 0.462 176.962 176.600 -0.167 0.000 1.045 652 K CA 0.822 57.015 56.287 -0.156 0.000 0.931 652 K CB -0.018 32.391 32.500 -0.152 0.000 0.727 652 K HN 0.402 nan 8.250 nan 0.000 0.458 653 V N 2.583 122.326 119.914 -0.284 0.000 2.583 653 V HA 0.089 4.209 4.120 0.001 0.000 0.287 653 V C 0.369 176.409 176.094 -0.091 0.000 1.051 653 V CA -0.148 61.976 62.300 -0.292 0.000 1.010 653 V CB 1.136 32.663 31.823 -0.493 0.000 0.988 653 V HN 0.198 nan 8.190 nan 0.000 0.478 654 R N 2.752 123.390 120.500 0.231 0.000 2.888 654 R HA 0.380 4.721 4.340 0.001 0.000 0.266 654 R C 0.759 177.114 176.300 0.092 0.000 1.020 654 R CA -1.104 55.054 56.100 0.098 0.000 0.963 654 R CB 0.994 31.326 30.300 0.053 0.000 1.197 654 R HN 0.575 nan 8.270 nan 0.000 0.481 655 K N 0.610 121.027 120.400 0.029 0.000 2.448 655 K HA -0.165 4.156 4.320 0.001 0.000 0.200 655 K C 1.470 178.083 176.600 0.023 0.000 1.045 655 K CA 1.916 58.222 56.287 0.032 0.000 0.933 655 K CB -0.283 32.227 32.500 0.016 0.000 0.755 655 K HN 0.748 nan 8.250 nan 0.000 0.481 656 G N -0.725 108.057 108.800 -0.031 0.000 2.408 656 G HA2 -0.168 3.792 3.960 0.001 0.000 0.213 656 G HA3 -0.168 3.792 3.960 0.001 0.000 0.213 656 G C 1.023 175.887 174.900 -0.059 0.000 1.177 656 G CA 0.265 45.305 45.100 -0.101 0.000 0.802 656 G HN 0.337 nan 8.290 nan 0.000 0.533 657 H N 0.442 119.561 119.070 0.083 0.000 2.353 657 H HA -0.084 4.472 4.556 0.001 0.000 0.298 657 H C 2.663 178.149 175.328 0.264 0.000 1.103 657 H CA 1.284 57.473 56.048 0.235 0.000 1.293 657 H CB -0.141 29.734 29.762 0.189 0.000 1.372 657 H HN 0.227 nan 8.280 nan 0.000 0.501 658 I N 1.237 121.967 120.570 0.267 0.000 2.039 658 I HA -0.272 3.898 4.170 0.001 0.000 0.233 658 I C 2.770 179.001 176.117 0.191 0.000 1.040 658 I CA 1.696 63.119 61.300 0.206 0.000 1.308 658 I CB -0.825 37.261 38.000 0.145 0.000 1.035 658 I HN 0.194 nan 8.210 nan 0.000 0.392 659 A N -0.805 122.092 122.820 0.129 0.000 2.125 659 A HA -0.231 4.090 4.320 0.001 0.000 0.219 659 A C 2.285 179.936 177.584 0.111 0.000 1.156 659 A CA 1.513 53.610 52.037 0.100 0.000 0.671 659 A CB -0.714 18.316 19.000 0.050 0.000 0.794 659 A HN 0.435 nan 8.150 nan 0.000 0.459 660 K N -0.774 119.710 120.400 0.139 0.000 2.432 660 K HA 0.182 4.503 4.320 0.001 0.000 0.196 660 K C 1.350 178.167 176.600 0.361 0.000 1.038 660 K CA 0.317 56.666 56.287 0.104 0.000 0.986 660 K CB -0.098 32.334 32.500 -0.113 0.000 0.782 660 K HN 0.528 nan 8.250 nan 0.000 0.485 661 L N -0.326 121.136 121.223 0.398 0.000 2.265 661 L HA 0.083 4.424 4.340 0.001 0.000 0.195 661 L C 2.052 179.069 176.870 0.244 0.000 1.083 661 L CA 0.287 55.342 54.840 0.360 0.000 0.798 661 L CB -0.142 42.075 42.059 0.263 0.000 0.989 661 L HN 0.118 nan 8.230 nan 0.000 0.472 662 M N -0.004 119.718 119.600 0.204 0.000 2.706 662 M HA -0.155 4.325 4.480 0.001 0.000 0.253 662 M C 1.996 178.396 176.300 0.167 0.000 1.063 662 M CA 1.063 56.467 55.300 0.174 0.000 1.067 662 M CB -0.462 32.224 32.600 0.143 0.000 1.423 662 M HN 0.327 nan 8.290 nan 0.000 0.530 663 A N -0.239 122.682 122.820 0.168 0.000 2.021 663 A HA -0.041 4.280 4.320 0.001 0.000 0.216 663 A C 2.099 179.793 177.584 0.184 0.000 1.163 663 A CA 1.352 53.481 52.037 0.153 0.000 0.676 663 A CB -0.485 18.584 19.000 0.116 0.000 0.818 663 A HN 0.403 nan 8.150 nan 0.000 0.453 664 T N -0.548 114.120 114.554 0.190 0.000 3.054 664 T HA 0.018 4.368 4.350 0.001 0.000 0.259 664 T C 1.601 176.398 174.700 0.161 0.000 1.092 664 T CA 0.891 63.094 62.100 0.172 0.000 1.121 664 T CB 0.042 69.020 68.868 0.185 0.000 0.912 664 T HN 0.550 nan 8.240 nan 0.000 0.489 665 E N 0.376 120.684 120.200 0.181 0.000 2.106 665 E HA -0.106 4.245 4.350 0.001 0.000 0.192 665 E C 1.706 178.415 176.600 0.180 0.000 0.984 665 E CA 0.769 57.271 56.400 0.169 0.000 0.806 665 E CB -0.157 29.649 29.700 0.177 0.000 0.750 665 E HN 0.466 nan 8.360 nan 0.000 0.458 666 Y N 1.803 122.144 120.300 0.067 0.000 2.403 666 Y HA -0.128 4.422 4.550 0.001 0.000 0.291 666 Y C 1.089 177.015 175.900 0.043 0.000 1.143 666 Y CA 1.125 59.255 58.100 0.050 0.000 1.257 666 Y CB 0.088 38.576 38.460 0.046 0.000 0.984 666 Y HN -0.067 nan 8.280 nan 0.000 0.550 667 Q N 2.016 121.834 119.800 0.029 0.000 3.141 667 Q HA 0.096 4.436 4.340 0.001 0.000 0.304 667 Q C -0.884 175.084 176.000 -0.053 0.000 1.305 667 Q CA 0.317 56.092 55.803 -0.048 0.000 0.929 667 Q CB -0.224 28.532 28.738 0.030 0.000 1.701 667 Q HN 0.454 nan 8.270 nan 0.000 0.483 679 Y N 3.103 123.455 120.300 0.086 0.000 2.749 679 Y HA 0.340 4.890 4.550 0.001 0.000 0.343 679 Y C 0.430 176.403 175.900 0.123 0.000 1.015 679 Y CA -0.594 57.562 58.100 0.094 0.000 1.270 679 Y CB 0.580 39.096 38.460 0.093 0.000 1.097 679 Y HN 0.222 nan 8.280 nan 0.000 0.571 680 T N 0.470 115.054 114.554 0.049 0.000 3.560 680 T HA -0.004 4.346 4.350 0.001 0.000 0.350 680 T C 1.040 175.745 174.700 0.008 0.000 1.264 680 T CA 0.055 62.193 62.100 0.064 0.000 0.924 680 T CB 0.274 69.223 68.868 0.135 0.000 1.997 680 T HN 0.705 nan 8.240 nan 0.000 0.553 681 W N -0.479 120.791 121.300 -0.049 0.000 2.699 681 W HA 0.200 4.860 4.660 0.001 0.000 0.265 681 W C 2.179 178.671 176.519 -0.045 0.000 1.210 681 W CA 0.476 57.795 57.345 -0.042 0.000 1.414 681 W CB -0.401 29.108 29.460 0.082 0.000 1.043 681 W HN 0.590 nan 8.180 nan 0.000 0.599 682 S N 1.208 117.005 115.700 0.161 0.000 2.462 682 S HA -0.200 4.271 4.470 0.001 0.000 0.243 682 S C 1.976 176.532 174.600 -0.074 0.000 1.003 682 S CA 2.005 60.243 58.200 0.063 0.000 0.970 682 S CB -0.203 63.071 63.200 0.123 0.000 0.762 682 S HN 0.473 nan 8.310 nan 0.000 0.510 683 S N 1.773 117.401 115.700 -0.121 0.000 2.311 683 S HA -0.005 4.465 4.470 0.001 0.000 0.209 683 S C 1.646 176.103 174.600 -0.237 0.000 1.029 683 S CA 0.890 59.013 58.200 -0.129 0.000 0.968 683 S CB -0.952 62.141 63.200 -0.179 0.000 0.946 683 S HN 0.339 nan 8.310 nan 0.000 0.450 684 L N 1.578 122.558 121.223 -0.405 0.000 2.283 684 L HA -0.081 4.259 4.340 0.001 0.000 0.217 684 L C 2.376 178.966 176.870 -0.467 0.000 1.104 684 L CA 1.130 55.702 54.840 -0.446 0.000 0.772 684 L CB -1.407 40.313 42.059 -0.566 0.000 0.899 684 L HN 0.344 nan 8.230 nan 0.000 0.439 685 L N -0.549 120.359 121.223 -0.525 0.000 2.022 685 L HA -0.051 4.289 4.340 0.001 0.000 0.204 685 L C 2.248 178.952 176.870 -0.278 0.000 1.076 685 L CA 1.647 56.200 54.840 -0.478 0.000 0.749 685 L CB -0.861 40.894 42.059 -0.507 0.000 0.903 685 L HN 0.215 nan 8.230 nan 0.000 0.439 686 N N 0.048 118.636 118.700 -0.187 0.000 2.364 686 N HA -0.190 4.550 4.740 0.001 0.000 0.183 686 N C 1.349 176.803 175.510 -0.092 0.000 1.022 686 N CA 0.935 53.920 53.050 -0.108 0.000 0.883 686 N CB 0.000 38.455 38.487 -0.053 0.000 0.965 686 N HN 0.551 nan 8.380 nan 0.000 0.438 687 E N 0.133 120.267 120.200 -0.109 0.000 2.465 687 E HA 0.121 4.472 4.350 0.001 0.000 0.191 687 E C -0.189 176.341 176.600 -0.117 0.000 1.053 687 E CA -0.305 56.050 56.400 -0.075 0.000 0.869 687 E CB -0.081 29.602 29.700 -0.028 0.000 0.977 687 E HN 0.236 nan 8.360 nan 0.000 0.483 688 G N 1.384 110.091 108.800 -0.154 0.000 2.292 688 G HA2 -0.235 3.725 3.960 0.001 0.000 0.221 688 G HA3 -0.235 3.725 3.960 0.001 0.000 0.221 688 G C 0.186 174.975 174.900 -0.184 0.000 0.657 688 G CA 0.435 45.440 45.100 -0.158 0.000 1.036 688 G HN 0.382 nan 8.290 nan 0.000 0.309 689 L N 0.565 121.651 121.223 -0.229 0.000 3.174 689 L HA 0.210 4.550 4.340 0.001 0.000 0.313 689 L C 0.315 177.078 176.870 -0.178 0.000 1.021 689 L CA 0.107 54.800 54.840 -0.245 0.000 1.269 689 L CB 0.597 42.445 42.059 -0.351 0.000 2.173 689 L HN 0.379 nan 8.230 nan 0.000 0.591 690 V N 0.217 119.993 119.914 -0.231 0.000 2.841 690 V HA 0.446 4.567 4.120 0.001 0.000 0.310 690 V C -0.926 175.037 176.094 -0.218 0.000 1.090 690 V CA -0.651 61.551 62.300 -0.164 0.000 0.930 690 V CB 2.557 34.191 31.823 -0.316 0.000 1.014 690 V HN 0.066 nan 8.190 nan 0.000 0.425 691 E N 1.604 121.772 120.200 -0.054 0.000 2.277 691 E HA 0.497 4.848 4.350 0.001 0.000 0.266 691 E C -1.679 174.971 176.600 0.085 0.000 0.901 691 E CA -0.782 55.579 56.400 -0.065 0.000 0.782 691 E CB 2.804 32.542 29.700 0.064 0.000 1.228 691 E HN 0.682 nan 8.360 nan 0.000 0.424 692 Y N 1.990 122.309 120.300 0.031 0.000 2.425 692 Y HA 0.336 4.886 4.550 0.001 0.000 0.347 692 Y C 0.186 176.088 175.900 0.004 0.000 0.976 692 Y CA -0.643 57.506 58.100 0.081 0.000 1.190 692 Y CB 0.656 39.097 38.460 -0.032 0.000 1.136 692 Y HN 0.196 nan 8.280 nan 0.000 0.517 693 I N 5.001 125.711 120.570 0.233 0.000 2.355 693 I HA 0.092 4.262 4.170 0.001 0.000 0.288 693 I C -0.145 176.087 176.117 0.192 0.000 0.999 693 I CA -0.755 60.616 61.300 0.118 0.000 1.163 693 I CB 0.973 38.973 38.000 0.000 0.000 1.316 693 I HN 0.650 nan 8.210 nan 0.000 0.454 694 D N 5.987 126.488 120.400 0.168 0.000 2.377 694 D HA 0.183 4.823 4.640 0.001 0.000 0.245 694 D C 0.969 177.376 176.300 0.179 0.000 1.196 694 D CA -0.266 53.857 54.000 0.206 0.000 0.962 694 D CB 1.711 42.606 40.800 0.158 0.000 1.127 694 D HN 0.522 nan 8.370 nan 0.000 0.471 695 A N 1.410 124.353 122.820 0.204 0.000 1.865 695 A HA -0.260 4.060 4.320 0.001 0.000 0.217 695 A C 2.024 179.760 177.584 0.253 0.000 1.191 695 A CA 2.331 54.513 52.037 0.242 0.000 0.623 695 A CB -1.046 18.137 19.000 0.305 0.000 0.826 695 A HN 0.790 nan 8.150 nan 0.000 0.444 696 E N -0.126 120.201 120.200 0.212 0.000 2.068 696 E HA -0.284 4.066 4.350 0.001 0.000 0.207 696 E C 1.973 178.657 176.600 0.140 0.000 1.032 696 E CA 2.246 58.736 56.400 0.150 0.000 0.839 696 E CB -0.328 29.467 29.700 0.158 0.000 0.758 696 E HN 0.715 nan 8.360 nan 0.000 0.457 697 E N -0.269 120.009 120.200 0.130 0.000 2.077 697 E HA -0.244 4.107 4.350 0.001 0.000 0.193 697 E C 2.043 178.689 176.600 0.076 0.000 0.989 697 E CA 1.125 57.578 56.400 0.089 0.000 0.800 697 E CB -0.161 29.580 29.700 0.069 0.000 0.746 697 E HN 0.384 nan 8.360 nan 0.000 0.452 698 E N 0.343 120.597 120.200 0.091 0.000 2.233 698 E HA -0.269 4.082 4.350 0.001 0.000 0.199 698 E C 1.832 178.480 176.600 0.080 0.000 1.004 698 E CA 1.062 57.507 56.400 0.075 0.000 0.819 698 E CB 0.104 29.871 29.700 0.112 0.000 0.738 698 E HN 0.201 nan 8.360 nan 0.000 0.478 699 E N 0.362 120.633 120.200 0.118 0.000 2.065 699 E HA -0.170 4.180 4.350 0.001 0.000 0.201 699 E C 1.259 177.899 176.600 0.067 0.000 1.016 699 E CA 1.520 57.989 56.400 0.116 0.000 0.818 699 E CB -0.235 29.545 29.700 0.134 0.000 0.749 699 E HN 0.250 nan 8.360 nan 0.000 0.453 700 S N 0.539 116.275 115.700 0.059 0.000 3.334 700 S HA 0.478 4.949 4.470 0.001 0.000 0.188 700 S C 0.403 175.032 174.600 0.049 0.000 1.404 700 S CA -0.696 57.531 58.200 0.045 0.000 1.040 700 S CB -0.985 62.242 63.200 0.044 0.000 1.352 700 S HN 0.283 nan 8.310 nan 0.000 0.501 701 I N -1.739 118.857 120.570 0.044 0.000 3.066 701 I HA 0.726 4.896 4.170 0.001 0.000 0.307 701 I C -2.301 173.840 176.117 0.040 0.000 1.366 701 I CA -1.562 59.780 61.300 0.071 0.000 0.972 701 I CB 1.741 39.797 38.000 0.093 0.000 1.307 701 I HN 0.230 nan 8.210 nan 0.000 0.470 702 L N 4.606 125.861 121.223 0.053 0.000 2.356 702 L HA 0.697 5.037 4.340 0.001 0.000 0.277 702 L C -1.195 175.742 176.870 0.112 0.000 0.996 702 L CA -0.406 54.426 54.840 -0.013 0.000 0.822 702 L CB 1.526 43.485 42.059 -0.167 0.000 1.256 702 L HN 0.564 nan 8.230 nan 0.000 0.413 703 I N 4.145 124.790 120.570 0.124 0.000 2.493 703 I HA 0.727 4.897 4.170 0.001 0.000 0.298 703 I C 0.150 176.470 176.117 0.337 0.000 0.998 703 I CA -0.797 60.638 61.300 0.226 0.000 1.137 703 I CB 1.897 39.963 38.000 0.110 0.000 1.310 703 I HN 0.748 nan 8.210 nan 0.000 0.445 704 A N 4.661 127.682 122.820 0.336 0.000 2.295 704 A HA 0.580 4.900 4.320 0.001 0.000 0.318 704 A C 0.384 178.003 177.584 0.059 0.000 1.134 704 A CA -0.492 51.636 52.037 0.151 0.000 0.827 704 A CB 1.247 20.123 19.000 -0.206 0.000 1.136 704 A HN 0.808 nan 8.150 nan 0.000 0.493 705 M N 0.516 120.121 119.600 0.008 0.000 2.121 705 M HA 0.084 4.565 4.480 0.001 0.000 0.250 705 M C 0.846 177.132 176.300 -0.023 0.000 1.120 705 M CA 1.705 56.994 55.300 -0.017 0.000 1.141 705 M CB -0.349 32.222 32.600 -0.048 0.000 1.254 705 M HN 0.745 nan 8.290 nan 0.000 0.433 706 Q N 1.166 120.942 119.800 -0.039 0.000 2.267 706 Q HA 0.176 4.516 4.340 0.001 0.000 0.255 706 Q C -1.775 174.206 176.000 -0.032 0.000 0.923 706 Q CA -1.680 54.112 55.803 -0.017 0.000 0.925 706 Q CB 1.049 29.778 28.738 -0.015 0.000 1.195 706 Q HN 0.255 nan 8.270 nan 0.000 0.417 707 P HA -0.282 nan 4.420 nan 0.000 0.216 707 P C 0.168 177.435 177.300 -0.055 0.000 1.153 707 P CA 1.587 64.693 63.100 0.011 0.000 0.858 707 P CB 0.350 32.106 31.700 0.093 0.000 0.789 708 E N 0.192 120.370 120.200 -0.037 0.000 3.381 708 E HA -0.106 4.245 4.350 0.001 0.000 0.509 708 E C 1.531 178.052 176.600 -0.132 0.000 0.319 708 E CA -0.166 56.196 56.400 -0.064 0.000 3.013 708 E CB -1.270 28.415 29.700 -0.025 0.000 2.197 708 E HN -0.081 nan 8.360 nan 0.000 0.410 709 D N 0.676 121.000 120.400 -0.126 0.000 7.136 709 D HA -0.245 4.396 4.640 0.001 0.000 0.223 709 D C 1.451 177.527 176.300 -0.372 0.000 1.984 709 D CA 1.897 55.778 54.000 -0.199 0.000 0.688 709 D CB -0.373 40.367 40.800 -0.100 0.000 0.682 709 D HN 0.318 nan 8.370 nan 0.000 0.940 710 L N 0.546 121.604 121.223 -0.276 0.000 2.939 710 L HA 0.125 4.466 4.340 0.001 0.000 0.239 710 L C 1.256 177.882 176.870 -0.406 0.000 1.325 710 L CA 0.125 54.782 54.840 -0.306 0.000 1.170 710 L CB 0.143 42.061 42.059 -0.235 0.000 1.538 710 L HN -0.052 nan 8.230 nan 0.000 0.452 711 E N -0.721 119.266 120.200 -0.355 0.000 2.926 711 E HA 0.149 4.499 4.350 0.001 0.000 0.232 711 E C -1.725 174.815 176.600 -0.100 0.000 1.095 711 E CA 0.032 56.328 56.400 -0.173 0.000 1.755 711 E CB -0.187 29.455 29.700 -0.096 0.000 2.411 711 E HN 0.258 nan 8.360 nan 0.000 1.046 712 P HA 0.122 nan 4.420 nan 0.000 0.300 712 P C 0.004 177.205 177.300 -0.165 0.000 1.294 712 P CA 0.184 63.173 63.100 -0.185 0.000 0.757 712 P CB 0.526 32.144 31.700 -0.136 0.000 1.377 713 A N -0.885 121.872 122.820 -0.105 0.000 2.450 713 A HA 0.392 4.712 4.320 0.001 0.000 0.281 713 A C -0.052 177.591 177.584 0.099 0.000 1.372 713 A CA -0.314 51.716 52.037 -0.013 0.000 0.886 713 A CB -0.009 18.966 19.000 -0.042 0.000 1.462 713 A HN 0.604 nan 8.150 nan 0.000 0.514 714 E N -1.017 119.238 120.200 0.091 0.000 2.621 714 E HA 0.507 4.858 4.350 0.001 0.000 0.263 714 E C -0.432 176.200 176.600 0.053 0.000 1.033 714 E CA -0.461 56.000 56.400 0.101 0.000 0.778 714 E CB 0.972 30.736 29.700 0.107 0.000 1.426 714 E HN 0.888 nan 8.360 nan 0.000 0.394 723 V N 2.578 122.510 119.914 0.029 0.000 2.713 723 V HA 0.295 4.416 4.120 0.001 0.000 0.307 723 V C 0.089 176.203 176.094 0.033 0.000 1.052 723 V CA -0.680 61.640 62.300 0.033 0.000 0.967 723 V CB 2.131 33.976 31.823 0.036 0.000 1.019 723 V HN 0.031 nan 8.190 nan 0.000 0.459 724 D N 4.986 125.409 120.400 0.037 0.000 2.434 724 D HA 0.082 4.723 4.640 0.001 0.000 0.252 724 D C -1.350 174.972 176.300 0.036 0.000 1.185 724 D CA -0.624 53.399 54.000 0.038 0.000 0.886 724 D CB 1.625 42.452 40.800 0.045 0.000 1.148 724 D HN 0.403 nan 8.370 nan 0.000 0.483 725 P HA 0.041 nan 4.420 nan 0.000 0.245 725 P C 0.433 177.752 177.300 0.030 0.000 1.212 725 P CA 0.171 63.288 63.100 0.029 0.000 0.774 725 P CB 0.608 32.322 31.700 0.024 0.000 0.999 726 A N -0.083 122.758 122.820 0.035 0.000 1.993 726 A HA 0.113 4.434 4.320 0.001 0.000 0.207 726 A C 1.483 179.095 177.584 0.047 0.000 1.224 726 A CA 0.294 52.353 52.037 0.036 0.000 0.749 726 A CB -0.260 18.761 19.000 0.034 0.000 0.884 726 A HN 0.044 nan 8.150 nan 0.000 0.467 727 K N 0.493 120.925 120.400 0.054 0.000 2.251 727 K HA 0.042 4.363 4.320 0.001 0.000 0.247 727 K C 1.034 177.675 176.600 0.067 0.000 1.098 727 K CA 0.421 56.750 56.287 0.069 0.000 0.800 727 K CB 0.086 32.629 32.500 0.071 0.000 1.086 727 K HN 0.577 nan 8.250 nan 0.000 0.520 728 R N -0.153 120.392 120.500 0.075 0.000 2.221 728 R HA 0.323 4.663 4.340 0.001 0.000 0.157 728 R C 0.036 176.369 176.300 0.054 0.000 0.876 728 R CA -0.394 55.745 56.100 0.066 0.000 1.500 728 R CB 0.104 30.449 30.300 0.074 0.000 1.353 728 R HN 0.307 nan 8.270 nan 0.000 0.598 729 I N 1.362 121.962 120.570 0.049 0.000 2.700 729 I HA 0.298 4.469 4.170 0.001 0.000 0.272 729 I C -0.570 175.569 176.117 0.038 0.000 1.293 729 I CA -0.408 60.917 61.300 0.042 0.000 0.989 729 I CB 1.205 39.227 38.000 0.036 0.000 1.301 729 I HN 0.576 nan 8.210 nan 0.000 0.525 730 R N 1.541 122.064 120.500 0.039 0.000 2.582 730 R HA 0.518 4.858 4.340 0.001 0.000 0.271 730 R C 0.891 177.208 176.300 0.028 0.000 1.078 730 R CA -0.372 55.746 56.100 0.030 0.000 1.127 730 R CB 1.732 32.048 30.300 0.028 0.000 1.038 730 R HN 0.207 nan 8.270 nan 0.000 0.500 731 V N 0.499 120.426 119.914 0.021 0.000 2.214 731 V HA -0.048 4.073 4.120 0.001 0.000 0.132 731 V C 0.679 176.776 176.094 0.005 0.000 0.813 731 V CA 0.765 63.078 62.300 0.021 0.000 1.369 731 V CB -0.061 31.775 31.823 0.021 0.000 0.817 731 V HN 0.815 nan 8.190 nan 0.000 0.415 732 S N -1.238 114.443 115.700 -0.031 0.000 2.929 732 S HA 0.449 4.919 4.470 0.001 0.000 0.311 732 S C -0.591 173.989 174.600 -0.035 0.000 1.213 732 S CA -0.224 57.901 58.200 -0.126 0.000 0.908 732 S CB 1.200 64.038 63.200 -0.602 0.000 1.287 732 S HN 0.839 nan 8.310 nan 0.000 0.594 733 H N 0.269 119.186 119.070 -0.255 0.000 2.505 733 H HA 0.339 4.896 4.556 0.001 0.000 0.260 733 H C -0.836 174.521 175.328 0.047 0.000 1.168 733 H CA -0.425 55.609 56.048 -0.022 0.000 0.945 733 H CB -0.907 28.824 29.762 -0.051 0.000 1.800 733 H HN 0.439 nan 8.280 nan 0.000 0.586 734 H N 2.086 121.157 119.070 0.001 0.000 3.629 734 H HA 0.535 5.092 4.556 0.001 0.000 0.245 734 H C 0.247 175.594 175.328 0.033 0.000 1.599 734 H CA 0.606 56.638 56.048 -0.027 0.000 1.557 734 H CB -0.557 29.172 29.762 -0.055 0.000 1.823 734 H HN 0.743 nan 8.280 nan 0.000 0.614 735 A N 1.143 124.083 122.820 0.200 0.000 2.550 735 A HA 0.415 4.736 4.320 0.001 0.000 0.295 735 A C -0.506 177.209 177.584 0.218 0.000 1.001 735 A CA -0.799 51.291 52.037 0.089 0.000 0.660 735 A CB 0.755 19.653 19.000 -0.169 0.000 1.308 735 A HN 0.273 nan 8.150 nan 0.000 0.426 736 T N 1.959 116.576 114.554 0.105 0.000 3.428 736 T HA 0.543 4.893 4.350 0.001 0.000 0.301 736 T C 0.221 174.976 174.700 0.091 0.000 1.323 736 T CA 0.445 62.658 62.100 0.188 0.000 1.647 736 T CB 0.160 69.115 68.868 0.145 0.000 0.871 736 T HN 1.063 nan 8.240 nan 0.000 0.627 737 T N -1.289 113.284 114.554 0.032 0.000 3.200 737 T HA 0.193 4.543 4.350 0.001 0.000 0.259 737 T C 0.445 175.154 174.700 0.015 0.000 0.855 737 T CA -0.465 61.615 62.100 -0.033 0.000 0.865 737 T CB -0.341 68.445 68.868 -0.137 0.000 1.270 737 T HN 0.362 nan 8.240 nan 0.000 0.563 738 F N 4.499 124.475 119.950 0.042 0.000 2.200 738 F HA -0.084 4.444 4.527 0.001 0.000 0.438 738 F C 2.119 177.931 175.800 0.020 0.000 0.892 738 F CA 0.723 58.749 58.000 0.043 0.000 1.037 738 F CB -0.503 38.526 39.000 0.047 0.000 0.823 738 F HN 0.293 nan 8.300 nan 0.000 0.507 739 T N -0.065 114.600 114.554 0.185 0.000 2.770 739 T HA -0.014 4.337 4.350 0.001 0.000 0.258 739 T C 0.408 175.035 174.700 -0.120 0.000 1.039 739 T CA 1.064 63.199 62.100 0.059 0.000 1.143 739 T CB -0.205 68.796 68.868 0.222 0.000 0.866 739 T HN 0.545 nan 8.240 nan 0.000 0.428 740 H N -1.039 118.111 119.070 0.134 0.000 2.864 740 H HA 0.769 5.326 4.556 0.001 0.000 0.354 740 H C -0.920 174.506 175.328 0.162 0.000 1.208 740 H CA -1.249 54.879 56.048 0.132 0.000 1.191 740 H CB 1.442 31.271 29.762 0.112 0.000 1.889 740 H HN 0.443 nan 8.280 nan 0.000 0.574 741 C N 0.700 120.181 119.300 0.302 0.000 2.797 741 C HA 0.457 4.918 4.460 0.001 0.000 0.306 741 C C -0.466 174.634 174.990 0.183 0.000 1.207 741 C CA -0.508 58.644 59.018 0.224 0.000 1.507 741 C CB 0.968 28.820 27.740 0.186 0.000 2.028 741 C HN 0.926 nan 8.230 nan 0.000 0.475 742 E N 3.036 123.297 120.200 0.102 0.000 2.324 742 E HA 0.185 4.535 4.350 0.001 0.000 0.271 742 E C 1.325 177.849 176.600 -0.125 0.000 1.028 742 E CA -0.094 56.315 56.400 0.014 0.000 0.890 742 E CB 0.468 30.203 29.700 0.059 0.000 1.004 742 E HN 0.495 nan 8.360 nan 0.000 0.431 743 I N 2.456 122.824 120.570 -0.336 0.000 2.069 743 I HA -0.194 3.976 4.170 0.001 0.000 0.237 743 I C 0.809 176.778 176.117 -0.248 0.000 1.053 743 I CA 1.707 62.662 61.300 -0.575 0.000 1.311 743 I CB -1.079 36.608 38.000 -0.521 0.000 1.030 743 I HN 0.587 nan 8.210 nan 0.000 0.398 744 H N 0.710 119.600 119.070 -0.299 0.000 3.087 744 H HA 0.257 4.813 4.556 0.001 0.000 0.348 744 H C -2.052 173.220 175.328 -0.095 0.000 1.092 744 H CA -1.224 54.672 56.048 -0.254 0.000 1.285 744 H CB 2.203 31.650 29.762 -0.526 0.000 1.875 744 H HN -0.250 nan 8.280 nan 0.000 0.512 745 P HA -0.225 nan 4.420 nan 0.000 0.215 745 P C 1.424 178.705 177.300 -0.031 0.000 1.157 745 P CA 2.157 65.143 63.100 -0.191 0.000 0.868 745 P CB 0.115 31.578 31.700 -0.396 0.000 0.788 746 S N -0.418 115.356 115.700 0.123 0.000 2.428 746 S HA -0.198 4.273 4.470 0.001 0.000 0.240 746 S C 1.806 176.516 174.600 0.183 0.000 1.036 746 S CA 1.450 59.860 58.200 0.349 0.000 1.009 746 S CB -1.284 62.229 63.200 0.522 0.000 0.803 746 S HN -0.053 nan 8.310 nan 0.000 0.486 747 M N 1.794 121.462 119.600 0.113 0.000 2.700 747 M HA 0.178 4.659 4.480 0.001 0.000 0.249 747 M C 1.706 177.970 176.300 -0.060 0.000 1.082 747 M CA 0.229 55.566 55.300 0.062 0.000 1.077 747 M CB -1.485 31.143 32.600 0.048 0.000 1.477 747 M HN 0.664 nan 8.290 nan 0.000 0.529 748 I N -2.499 117.963 120.570 -0.179 0.000 2.928 748 I HA -0.028 4.143 4.170 0.001 0.000 0.266 748 I C 0.749 176.736 176.117 -0.217 0.000 1.234 748 I CA 0.181 61.252 61.300 -0.380 0.000 1.483 748 I CB -0.399 37.124 38.000 -0.795 0.000 1.097 748 I HN -0.011 nan 8.210 nan 0.000 0.455 749 L N 1.656 122.819 121.223 -0.099 0.000 2.439 749 L HA 0.590 4.930 4.340 0.001 0.000 0.261 749 L C 0.683 177.528 176.870 -0.042 0.000 1.153 749 L CA -0.417 54.385 54.840 -0.063 0.000 0.808 749 L CB 0.733 42.774 42.059 -0.029 0.000 1.126 749 L HN 0.125 nan 8.230 nan 0.000 0.460 750 G N -0.187 108.584 108.800 -0.049 0.000 2.489 750 G HA2 0.454 4.414 3.960 0.001 0.000 0.327 750 G HA3 0.454 4.414 3.960 0.001 0.000 0.327 750 G C 0.836 175.708 174.900 -0.046 0.000 1.189 750 G CA -0.631 44.444 45.100 -0.042 0.000 0.962 750 G HN 0.441 nan 8.290 nan 0.000 0.486 751 V N 1.423 121.306 119.914 -0.051 0.000 2.310 751 V HA -0.440 3.681 4.120 0.001 0.000 0.254 751 V C 3.299 179.353 176.094 -0.067 0.000 1.078 751 V CA 3.417 65.680 62.300 -0.062 0.000 1.104 751 V CB -1.608 30.179 31.823 -0.060 0.000 0.786 751 V HN 1.024 nan 8.190 nan 0.000 0.469 752 A N 0.179 122.966 122.820 -0.054 0.000 1.862 752 A HA -0.258 4.063 4.320 0.001 0.000 0.217 752 A C 2.406 179.948 177.584 -0.071 0.000 1.251 752 A CA 3.560 55.566 52.037 -0.053 0.000 0.673 752 A CB -1.413 17.564 19.000 -0.038 0.000 0.843 752 A HN 1.087 nan 8.150 nan 0.000 0.458 753 A N -1.012 121.770 122.820 -0.062 0.000 2.139 753 A HA -0.037 4.284 4.320 0.001 0.000 0.221 753 A C 2.129 179.658 177.584 -0.091 0.000 1.159 753 A CA 1.928 53.924 52.037 -0.069 0.000 0.662 753 A CB -0.822 18.144 19.000 -0.056 0.000 0.796 753 A HN 0.530 nan 8.150 nan 0.000 0.463 754 S N -0.266 115.379 115.700 -0.093 0.000 2.603 754 S HA 0.066 4.537 4.470 0.001 0.000 0.229 754 S C 1.202 175.690 174.600 -0.188 0.000 0.972 754 S CA 0.519 58.658 58.200 -0.102 0.000 0.935 754 S CB -0.162 63.000 63.200 -0.063 0.000 0.769 754 S HN 0.555 nan 8.310 nan 0.000 0.536 755 I N 0.617 121.050 120.570 -0.228 0.000 3.854 755 I HA 0.243 4.413 4.170 0.001 0.000 0.312 755 I C 0.553 176.521 176.117 -0.249 0.000 1.273 755 I CA 0.235 61.326 61.300 -0.347 0.000 1.298 755 I CB -0.547 37.224 38.000 -0.381 0.000 1.071 755 I HN 0.208 nan 8.210 nan 0.000 0.428 756 I N 5.080 125.539 120.570 -0.185 0.000 2.533 756 I HA 0.091 4.261 4.170 0.001 0.000 0.284 756 I C -1.900 174.117 176.117 -0.166 0.000 1.109 756 I CA -1.326 59.871 61.300 -0.170 0.000 1.412 756 I CB 0.170 38.101 38.000 -0.116 0.000 1.396 756 I HN -0.121 nan 8.210 nan 0.000 0.543 757 P HA 0.092 nan 4.420 nan 0.000 0.274 757 P C 0.043 177.313 177.300 -0.049 0.000 1.237 757 P CA -0.346 62.608 63.100 -0.243 0.000 0.793 757 P CB 0.372 31.955 31.700 -0.196 0.000 0.977 758 F N -1.270 118.730 119.950 0.084 0.000 2.790 758 F HA -0.185 4.343 4.527 0.001 0.000 0.210 758 F C -0.657 175.231 175.800 0.146 0.000 1.055 758 F CA -0.141 57.961 58.000 0.169 0.000 0.786 758 F CB -1.844 37.288 39.000 0.221 0.000 0.625 758 F HN 0.378 nan 8.300 nan 0.000 0.816 759 P HA -0.203 nan 4.420 nan 0.000 0.225 759 P C 0.544 177.841 177.300 -0.006 0.000 1.141 759 P CA 1.809 64.935 63.100 0.043 0.000 0.774 759 P CB -0.074 31.589 31.700 -0.062 0.000 0.760 760 D N -1.894 118.480 120.400 -0.043 0.000 2.491 760 D HA -0.001 4.639 4.640 0.001 0.000 0.228 760 D C 0.555 176.677 176.300 -0.296 0.000 1.183 760 D CA -0.269 53.631 54.000 -0.168 0.000 0.827 760 D CB -0.560 40.078 40.800 -0.269 0.000 0.989 760 D HN 0.326 nan 8.370 nan 0.000 0.494 761 H N -0.169 118.940 119.070 0.065 0.000 3.297 761 H HA 0.228 4.784 4.556 0.001 0.000 0.254 761 H C -0.393 174.951 175.328 0.027 0.000 1.192 761 H CA -0.400 55.671 56.048 0.039 0.000 1.058 761 H CB 0.742 30.520 29.762 0.027 0.000 1.777 761 H HN 0.043 nan 8.280 nan 0.000 0.696 762 N N 1.366 120.135 118.700 0.116 0.000 2.269 762 N HA 0.053 4.793 4.740 0.001 0.000 0.304 762 N C -0.125 175.399 175.510 0.024 0.000 1.072 762 N CA -0.504 52.589 53.050 0.071 0.000 0.802 762 N CB 2.374 40.923 38.487 0.103 0.000 1.348 762 N HN 0.215 nan 8.380 nan 0.000 0.484 763 Q N 1.383 121.181 119.800 -0.003 0.000 2.256 763 Q HA -0.051 4.289 4.340 0.001 0.000 0.281 763 Q C 1.074 177.052 176.000 -0.038 0.000 1.162 763 Q CA 0.338 56.126 55.803 -0.024 0.000 0.943 763 Q CB 0.321 29.033 28.738 -0.044 0.000 1.195 763 Q HN 0.701 nan 8.270 nan 0.000 0.403 764 S N 5.468 121.156 115.700 -0.021 0.000 2.469 764 S HA -0.245 4.225 4.470 0.001 0.000 0.309 764 S C -0.743 173.825 174.600 -0.054 0.000 1.209 764 S CA 2.204 60.391 58.200 -0.022 0.000 1.281 764 S CB -1.036 62.158 63.200 -0.009 0.000 1.265 764 S HN 0.896 nan 8.310 nan 0.000 0.452 765 P HA -0.185 nan 4.420 nan 0.000 0.216 765 P C 1.252 178.376 177.300 -0.293 0.000 1.154 765 P CA 1.585 64.589 63.100 -0.160 0.000 0.865 765 P CB -0.375 31.211 31.700 -0.190 0.000 0.789 766 R N -0.424 119.903 120.500 -0.289 0.000 2.154 766 R HA -0.109 4.232 4.340 0.001 0.000 0.248 766 R C 2.027 178.269 176.300 -0.097 0.000 1.155 766 R CA 0.903 56.844 56.100 -0.265 0.000 0.979 766 R CB -1.417 28.815 30.300 -0.114 0.000 0.869 766 R HN 0.365 nan 8.270 nan 0.000 0.452 767 N N -0.223 118.450 118.700 -0.045 0.000 2.171 767 N HA -0.078 4.662 4.740 0.001 0.000 0.184 767 N C 1.572 177.096 175.510 0.024 0.000 1.021 767 N CA 1.562 54.613 53.050 0.001 0.000 0.854 767 N CB -0.295 38.191 38.487 -0.001 0.000 0.994 767 N HN 0.196 nan 8.380 nan 0.000 0.426 768 T N 0.925 115.500 114.554 0.034 0.000 2.684 768 T HA -0.117 4.234 4.350 0.001 0.000 0.267 768 T C 1.813 176.641 174.700 0.214 0.000 1.036 768 T CA 1.088 63.249 62.100 0.103 0.000 1.148 768 T CB -0.561 68.384 68.868 0.129 0.000 0.863 768 T HN 0.361 nan 8.240 nan 0.000 0.436 769 Y N 1.236 121.532 120.300 -0.006 0.000 2.070 769 Y HA -0.255 4.295 4.550 0.001 0.000 0.280 769 Y C 3.092 178.986 175.900 -0.010 0.000 1.148 769 Y CA 0.967 59.063 58.100 -0.006 0.000 1.125 769 Y CB -0.370 38.094 38.460 0.007 0.000 0.975 769 Y HN 0.149 nan 8.280 nan 0.000 0.492 770 Q N 0.873 120.782 119.800 0.182 0.000 2.268 770 Q HA -0.165 4.175 4.340 0.001 0.000 0.210 770 Q C 1.314 177.337 176.000 0.038 0.000 0.988 770 Q CA 1.817 57.666 55.803 0.078 0.000 0.883 770 Q CB -0.396 28.356 28.738 0.024 0.000 0.911 770 Q HN 0.161 nan 8.270 nan 0.000 0.430 771 S N -0.913 114.813 115.700 0.043 0.000 2.768 771 S HA 0.489 4.959 4.470 0.001 0.000 0.246 771 S C 0.472 175.077 174.600 0.008 0.000 1.006 771 S CA 0.246 58.454 58.200 0.013 0.000 1.075 771 S CB 0.358 63.561 63.200 0.005 0.000 0.786 771 S HN 0.502 nan 8.310 nan 0.000 0.468 772 A N 0.061 122.887 122.820 0.010 0.000 2.377 772 A HA 0.391 4.712 4.320 0.001 0.000 0.174 772 A C 1.436 178.998 177.584 -0.037 0.000 1.663 772 A CA -0.137 51.888 52.037 -0.021 0.000 1.219 772 A CB -0.030 18.951 19.000 -0.033 0.000 1.499 772 A HN 0.420 nan 8.150 nan 0.000 0.481 773 M N -0.102 119.489 119.600 -0.014 0.000 2.394 773 M HA 0.078 4.558 4.480 0.001 0.000 0.266 773 M C 2.044 178.329 176.300 -0.026 0.000 1.098 773 M CA 1.163 56.445 55.300 -0.029 0.000 1.149 773 M CB -0.169 32.433 32.600 0.002 0.000 1.369 773 M HN 0.474 nan 8.290 nan 0.000 0.450 774 G N 1.118 109.920 108.800 0.003 0.000 2.601 774 G HA2 -0.193 3.768 3.960 0.001 0.000 0.214 774 G HA3 -0.193 3.768 3.960 0.001 0.000 0.214 774 G C 1.374 176.293 174.900 0.032 0.000 1.132 774 G CA 0.769 45.888 45.100 0.032 0.000 0.761 774 G HN 0.442 nan 8.290 nan 0.000 0.550 775 K N -0.647 119.746 120.400 -0.013 0.000 2.358 775 K HA 0.181 4.502 4.320 0.001 0.000 0.200 775 K C 1.309 177.801 176.600 -0.181 0.000 1.030 775 K CA 0.015 56.296 56.287 -0.009 0.000 1.097 775 K CB 0.620 33.121 32.500 0.001 0.000 0.862 775 K HN 0.244 nan 8.250 nan 0.000 0.534 776 Q N -0.097 119.590 119.800 -0.189 0.000 2.135 776 Q HA 0.270 4.611 4.340 0.001 0.000 0.222 776 Q C -0.216 175.653 176.000 -0.219 0.000 0.808 776 Q CA -0.274 55.341 55.803 -0.313 0.000 1.049 776 Q CB 1.578 30.128 28.738 -0.313 0.000 1.168 776 Q HN 0.168 nan 8.270 nan 0.000 0.483 777 A N 1.133 123.892 122.820 -0.102 0.000 2.580 777 A HA 0.904 5.225 4.320 0.001 0.000 0.275 777 A C -0.218 177.365 177.584 -0.002 0.000 1.321 777 A CA -0.505 51.510 52.037 -0.037 0.000 0.924 777 A CB 0.748 19.765 19.000 0.028 0.000 1.512 777 A HN 0.269 nan 8.150 nan 0.000 0.492 778 M N -2.818 116.810 119.600 0.048 0.000 2.644 778 M HA 0.750 5.230 4.480 0.001 0.000 0.273 778 M C -0.139 176.222 176.300 0.102 0.000 1.253 778 M CA -0.120 55.226 55.300 0.078 0.000 0.852 778 M CB 1.733 34.365 32.600 0.054 0.000 1.708 778 M HN 1.237 nan 8.290 nan 0.000 0.471 779 G N 0.419 109.289 108.800 0.117 0.000 3.183 779 G HA2 0.516 4.476 3.960 0.001 0.000 0.140 779 G HA3 0.516 4.476 3.960 0.001 0.000 0.140 779 G C -1.705 173.260 174.900 0.107 0.000 1.209 779 G CA -0.251 44.906 45.100 0.096 0.000 1.438 779 G HN 0.729 nan 8.290 nan 0.000 0.700 780 V N 1.675 121.641 119.914 0.087 0.000 2.656 780 V HA 0.550 4.671 4.120 0.001 0.000 0.307 780 V C 0.020 176.187 176.094 0.123 0.000 1.051 780 V CA -0.326 62.010 62.300 0.060 0.000 0.893 780 V CB 1.440 33.234 31.823 -0.048 0.000 0.999 780 V HN 0.842 nan 8.190 nan 0.000 0.426 781 F N 2.856 122.832 119.950 0.045 0.000 2.706 781 F HA 0.781 5.308 4.527 0.001 0.000 0.308 781 F C -0.172 175.704 175.800 0.127 0.000 1.095 781 F CA -0.347 57.713 58.000 0.100 0.000 1.244 781 F CB 0.403 39.425 39.000 0.038 0.000 1.063 781 F HN 0.237 nan 8.300 nan 0.000 0.582 782 L N 0.657 121.534 121.223 -0.576 0.000 2.940 782 L HA 0.126 4.466 4.340 0.001 0.000 0.247 782 L C 0.595 177.179 176.870 -0.477 0.000 0.970 782 L CA -0.014 54.559 54.840 -0.444 0.000 1.003 782 L CB 2.056 43.879 42.059 -0.392 0.000 1.552 782 L HN 0.096 nan 8.230 nan 0.000 0.432 783 T N -3.401 110.928 114.554 -0.375 0.000 3.113 783 T HA -0.029 4.321 4.350 0.001 0.000 0.256 783 T C 0.924 175.362 174.700 -0.436 0.000 1.131 783 T CA 0.734 62.612 62.100 -0.370 0.000 1.074 783 T CB -0.358 68.338 68.868 -0.287 0.000 0.944 783 T HN 0.647 nan 8.240 nan 0.000 0.516 784 N N 1.176 119.649 118.700 -0.378 0.000 2.313 784 N HA -0.024 4.716 4.740 0.001 0.000 0.207 784 N C 1.263 176.587 175.510 -0.310 0.000 1.141 784 N CA -0.317 52.531 53.050 -0.336 0.000 0.830 784 N CB -0.728 37.615 38.487 -0.240 0.000 1.008 784 N HN 0.661 nan 8.380 nan 0.000 0.481 785 Y N 0.468 120.565 120.300 -0.339 0.000 2.274 785 Y HA 0.002 4.553 4.550 0.001 0.000 0.290 785 Y C 1.691 177.434 175.900 -0.261 0.000 1.145 785 Y CA 0.927 58.831 58.100 -0.327 0.000 1.203 785 Y CB -1.270 36.923 38.460 -0.446 0.000 0.984 785 Y HN 0.025 nan 8.280 nan 0.000 0.533 786 N N 0.456 118.906 118.700 -0.417 0.000 2.513 786 N HA -0.097 4.643 4.740 0.001 0.000 0.187 786 N C -0.005 175.467 175.510 -0.064 0.000 1.056 786 N CA 1.240 54.202 53.050 -0.147 0.000 0.907 786 N CB -0.060 38.292 38.487 -0.226 0.000 0.954 786 N HN 0.316 nan 8.380 nan 0.000 0.445 787 V N -0.164 119.696 119.914 -0.090 0.000 2.778 787 V HA 0.367 4.487 4.120 0.001 0.000 0.356 787 V C -0.198 175.882 176.094 -0.024 0.000 1.283 787 V CA -0.414 61.858 62.300 -0.047 0.000 1.247 787 V CB -0.016 31.770 31.823 -0.063 0.000 1.408 787 V HN 0.069 nan 8.190 nan 0.000 0.620 788 R N 1.281 121.775 120.500 -0.010 0.000 2.435 788 R HA 0.534 4.875 4.340 0.001 0.000 0.308 788 R C -0.540 175.765 176.300 0.008 0.000 0.975 788 R CA -0.609 55.501 56.100 0.017 0.000 0.867 788 R CB 1.813 32.154 30.300 0.068 0.000 1.171 788 R HN 0.161 nan 8.270 nan 0.000 0.470 789 M N 3.683 123.294 119.600 0.018 0.000 3.654 789 M HA 0.094 4.574 4.480 0.001 0.000 0.212 789 M C -0.673 175.627 176.300 0.000 0.000 1.354 789 M CA -0.333 54.975 55.300 0.013 0.000 1.564 789 M CB -0.809 31.806 32.600 0.025 0.000 1.056 789 M HN 0.434 nan 8.290 nan 0.000 0.608 790 D N -0.087 120.300 120.400 -0.022 0.000 2.163 790 D HA 0.257 4.897 4.640 0.001 0.000 0.248 790 D C 0.182 176.427 176.300 -0.091 0.000 1.035 790 D CA -0.557 53.413 54.000 -0.050 0.000 0.872 790 D CB 0.528 41.290 40.800 -0.064 0.000 1.183 790 D HN 0.244 nan 8.370 nan 0.000 0.445 791 T N -0.013 114.482 114.554 -0.097 0.000 2.751 791 T HA 0.251 4.601 4.350 0.001 0.000 0.279 791 T C 0.815 175.429 174.700 -0.144 0.000 0.941 791 T CA -0.761 61.261 62.100 -0.131 0.000 1.192 791 T CB -0.581 68.224 68.868 -0.105 0.000 0.883 791 T HN 0.656 nan 8.240 nan 0.000 0.534 792 M N 1.772 121.256 119.600 -0.194 0.000 4.047 792 M HA -0.037 4.443 4.480 0.001 0.000 0.157 792 M C -0.873 175.308 176.300 -0.199 0.000 1.532 792 M CA 0.938 56.103 55.300 -0.225 0.000 1.097 792 M CB -1.104 31.449 32.600 -0.079 0.000 1.346 792 M HN 1.606 nan 8.290 nan 0.000 0.190 793 A N 4.802 127.476 122.820 -0.243 0.000 2.583 793 A HA 0.689 5.010 4.320 0.001 0.000 0.298 793 A C -1.553 176.011 177.584 -0.032 0.000 1.055 793 A CA -0.841 51.099 52.037 -0.160 0.000 0.714 793 A CB 1.307 20.158 19.000 -0.249 0.000 1.277 793 A HN 0.798 nan 8.150 nan 0.000 0.406 794 N N 0.627 119.354 118.700 0.045 0.000 2.372 794 N HA 0.675 5.415 4.740 0.001 0.000 0.291 794 N C -1.541 174.016 175.510 0.079 0.000 1.024 794 N CA -0.221 52.902 53.050 0.122 0.000 0.873 794 N CB 1.922 40.482 38.487 0.122 0.000 1.206 794 N HN 0.486 nan 8.380 nan 0.000 0.486 795 I N 2.197 122.801 120.570 0.056 0.000 2.498 795 I HA 0.227 4.397 4.170 0.001 0.000 0.290 795 I C -0.510 175.627 176.117 0.034 0.000 1.032 795 I CA -0.658 60.646 61.300 0.007 0.000 1.073 795 I CB 1.780 39.677 38.000 -0.173 0.000 1.251 795 I HN 0.282 nan 8.210 nan 0.000 0.426 796 L N 6.979 128.241 121.223 0.065 0.000 2.380 796 L HA 0.167 4.507 4.340 0.001 0.000 0.273 796 L C 0.606 177.557 176.870 0.134 0.000 1.138 796 L CA 0.546 55.431 54.840 0.076 0.000 0.832 796 L CB 0.157 42.281 42.059 0.108 0.000 1.124 796 L HN 0.500 nan 8.230 nan 0.000 0.454 797 Y N 4.499 124.776 120.300 -0.039 0.000 2.070 797 Y HA -0.141 4.410 4.550 0.001 0.000 0.279 797 Y C 0.526 176.440 175.900 0.022 0.000 1.134 797 Y CA 1.297 59.292 58.100 -0.174 0.000 1.113 797 Y CB -0.549 37.569 38.460 -0.571 0.000 0.981 797 Y HN 0.501 nan 8.280 nan 0.000 0.487 798 Y N 0.760 121.171 120.300 0.186 0.000 2.842 798 Y HA 0.321 4.871 4.550 0.001 0.000 0.334 798 Y C -2.173 173.735 175.900 0.014 0.000 1.019 798 Y CA -2.889 55.248 58.100 0.062 0.000 1.258 798 Y CB 0.563 39.034 38.460 0.019 0.000 1.106 798 Y HN -0.013 nan 8.280 nan 0.000 0.545 799 P HA 0.148 nan 4.420 nan 0.000 0.273 799 P C -0.872 176.458 177.300 0.050 0.000 1.250 799 P CA -0.135 63.014 63.100 0.081 0.000 0.793 799 P CB 0.729 32.452 31.700 0.037 0.000 1.011 800 Q N -0.116 119.715 119.800 0.052 0.000 2.320 800 Q HA 0.210 4.550 4.340 0.001 0.000 0.272 800 Q C -0.900 175.107 176.000 0.011 0.000 1.023 800 Q CA -1.002 54.823 55.803 0.036 0.000 0.855 800 Q CB 2.343 31.125 28.738 0.074 0.000 1.367 800 Q HN 0.377 nan 8.270 nan 0.000 0.406 801 K N 1.750 122.105 120.400 -0.075 0.000 2.349 801 K HA 0.351 4.672 4.320 0.001 0.000 0.288 801 K C -2.313 174.166 176.600 -0.201 0.000 1.058 801 K CA -1.398 54.798 56.287 -0.152 0.000 0.953 801 K CB 0.316 32.744 32.500 -0.119 0.000 0.997 801 K HN 0.162 nan 8.250 nan 0.000 0.477 802 P HA -0.130 nan 4.420 nan 0.000 0.266 802 P C 0.562 177.690 177.300 -0.286 0.000 1.186 802 P CA 0.008 62.716 63.100 -0.653 0.000 0.767 802 P CB 0.802 31.811 31.700 -1.152 0.000 0.820 803 L N 2.083 123.193 121.223 -0.188 0.000 1.925 803 L HA -0.033 4.308 4.340 0.001 0.000 0.215 803 L C 1.756 178.556 176.870 -0.118 0.000 1.082 803 L CA 1.672 56.447 54.840 -0.109 0.000 0.764 803 L CB -1.364 40.660 42.059 -0.059 0.000 0.887 803 L HN 0.511 nan 8.230 nan 0.000 0.432 804 G N -0.185 108.550 108.800 -0.109 0.000 2.340 804 G HA2 0.338 4.298 3.960 0.001 0.000 0.245 804 G HA3 0.338 4.298 3.960 0.001 0.000 0.245 804 G C -0.134 174.650 174.900 -0.192 0.000 1.294 804 G CA 0.299 45.322 45.100 -0.128 0.000 0.896 804 G HN 0.420 nan 8.290 nan 0.000 0.522 805 T N -1.327 113.108 114.554 -0.199 0.000 2.669 805 T HA 0.768 5.119 4.350 0.001 0.000 0.283 805 T C -0.348 174.214 174.700 -0.230 0.000 1.019 805 T CA -0.755 61.219 62.100 -0.209 0.000 1.039 805 T CB 2.106 70.879 68.868 -0.159 0.000 1.374 805 T HN 0.416 nan 8.240 nan 0.000 0.523 806 T N 0.588 115.014 114.554 -0.214 0.000 2.876 806 T HA 0.447 4.797 4.350 0.001 0.000 0.289 806 T C 1.073 175.643 174.700 -0.216 0.000 1.014 806 T CA -0.897 61.085 62.100 -0.197 0.000 0.986 806 T CB 1.923 70.685 68.868 -0.176 0.000 1.021 806 T HN 0.531 nan 8.240 nan 0.000 0.458 807 R N 1.768 122.095 120.500 -0.287 0.000 2.083 807 R HA -0.080 4.260 4.340 0.001 0.000 0.237 807 R C 2.433 178.570 176.300 -0.272 0.000 1.137 807 R CA 1.582 57.366 56.100 -0.526 0.000 0.951 807 R CB -1.229 28.312 30.300 -1.265 0.000 0.851 807 R HN 0.731 nan 8.270 nan 0.000 0.434 808 A N 1.463 124.252 122.820 -0.051 0.000 1.986 808 A HA -0.186 4.134 4.320 0.001 0.000 0.220 808 A C 2.324 179.966 177.584 0.097 0.000 1.171 808 A CA 1.763 53.918 52.037 0.196 0.000 0.640 808 A CB -0.536 18.566 19.000 0.170 0.000 0.811 808 A HN 0.257 nan 8.150 nan 0.000 0.451 809 M N -1.120 118.434 119.600 -0.077 0.000 2.106 809 M HA -0.226 4.254 4.480 0.001 0.000 0.259 809 M C 2.168 178.422 176.300 -0.076 0.000 1.068 809 M CA 2.032 57.264 55.300 -0.113 0.000 1.100 809 M CB -0.603 31.901 32.600 -0.159 0.000 1.351 809 M HN 0.632 nan 8.290 nan 0.000 0.404 810 E N 0.562 120.633 120.200 -0.214 0.000 2.136 810 E HA -0.241 4.109 4.350 0.001 0.000 0.202 810 E C 1.390 177.763 176.600 -0.378 0.000 1.019 810 E CA 1.891 58.065 56.400 -0.376 0.000 0.819 810 E CB -0.087 29.205 29.700 -0.680 0.000 0.739 810 E HN 0.680 nan 8.360 nan 0.000 0.458 811 Y N -0.589 119.690 120.300 -0.036 0.000 2.482 811 Y HA 0.162 4.712 4.550 0.001 0.000 0.270 811 Y C 1.697 177.521 175.900 -0.127 0.000 1.152 811 Y CA 0.084 58.120 58.100 -0.108 0.000 1.292 811 Y CB 0.226 38.504 38.460 -0.303 0.000 1.070 811 Y HN -0.007 nan 8.280 nan 0.000 0.528 812 L N 0.452 121.717 121.223 0.070 0.000 2.611 812 L HA 0.093 4.433 4.340 0.001 0.000 0.229 812 L C -0.037 176.998 176.870 0.274 0.000 1.137 812 L CA -0.025 54.888 54.840 0.120 0.000 0.901 812 L CB -0.106 41.980 42.059 0.045 0.000 1.098 812 L HN 0.045 nan 8.230 nan 0.000 0.456 813 K N 0.138 120.648 120.400 0.183 0.000 5.294 813 K HA -0.252 4.068 4.320 0.001 0.000 0.344 813 K C 0.052 176.765 176.600 0.188 0.000 0.909 813 K CA 0.574 56.944 56.287 0.139 0.000 1.081 813 K CB -1.650 30.900 32.500 0.084 0.000 1.814 813 K HN 0.154 nan 8.250 nan 0.000 0.407 814 F N 0.859 120.787 119.950 -0.038 0.000 2.549 814 F HA 0.143 4.671 4.527 0.001 0.000 0.275 814 F C 1.982 177.739 175.800 -0.072 0.000 0.990 814 F CA 0.298 58.276 58.000 -0.037 0.000 1.274 814 F CB 0.139 39.117 39.000 -0.038 0.000 1.064 814 F HN 0.249 nan 8.300 nan 0.000 0.715 815 R N 0.256 120.762 120.500 0.011 0.000 2.249 815 R HA -0.143 4.198 4.340 0.001 0.000 0.230 815 R C 1.372 177.592 176.300 -0.134 0.000 1.121 815 R CA 1.428 57.475 56.100 -0.087 0.000 0.997 815 R CB -0.289 29.982 30.300 -0.049 0.000 0.867 815 R HN 0.273 nan 8.270 nan 0.000 0.465 816 E N 0.207 120.326 120.200 -0.135 0.000 2.122 816 E HA 0.081 4.431 4.350 0.001 0.000 0.190 816 E C 0.195 176.582 176.600 -0.354 0.000 0.977 816 E CA 0.774 57.056 56.400 -0.196 0.000 0.820 816 E CB 0.458 30.091 29.700 -0.111 0.000 0.770 816 E HN 0.166 nan 8.360 nan 0.000 0.462 817 L N 1.481 122.472 121.223 -0.386 0.000 2.551 817 L HA 0.351 4.691 4.340 0.001 0.000 0.248 817 L C -2.318 174.324 176.870 -0.380 0.000 1.509 817 L CA -1.620 52.995 54.840 -0.375 0.000 0.842 817 L CB 1.138 42.921 42.059 -0.459 0.000 1.087 817 L HN -0.038 nan 8.230 nan 0.000 0.512 818 P HA 0.024 nan 4.420 nan 0.000 0.286 818 P C 0.348 177.473 177.300 -0.293 0.000 1.278 818 P CA 0.116 62.830 63.100 -0.643 0.000 0.785 818 P CB 1.212 32.711 31.700 -0.335 0.000 1.269 819 A N -2.666 120.117 122.820 -0.063 0.000 2.736 819 A HA 0.548 4.868 4.320 0.001 0.000 0.222 819 A C 0.478 178.105 177.584 0.071 0.000 1.267 819 A CA 0.648 52.739 52.037 0.091 0.000 1.026 819 A CB -0.034 19.091 19.000 0.209 0.000 1.281 819 A HN 0.739 nan 8.150 nan 0.000 0.577 820 G N -0.774 108.041 108.800 0.025 0.000 2.731 820 G HA2 0.571 4.531 3.960 0.001 0.000 0.309 820 G HA3 0.571 4.531 3.960 0.001 0.000 0.309 820 G C -1.706 173.084 174.900 -0.185 0.000 1.273 820 G CA -0.379 44.521 45.100 -0.334 0.000 0.798 820 G HN 0.176 nan 8.290 nan 0.000 0.509 821 Q N 0.089 119.712 119.800 -0.296 0.000 2.331 821 Q HA 0.308 4.649 4.340 0.001 0.000 0.272 821 Q C -1.173 174.861 176.000 0.056 0.000 1.062 821 Q CA -0.927 54.807 55.803 -0.115 0.000 0.806 821 Q CB 2.476 30.887 28.738 -0.545 0.000 1.312 821 Q HN 0.462 nan 8.270 nan 0.000 0.431 822 N N 1.497 120.300 118.700 0.171 0.000 2.400 822 N HA 0.227 4.967 4.740 0.001 0.000 0.267 822 N C -0.973 174.564 175.510 0.045 0.000 1.208 822 N CA 0.184 53.334 53.050 0.168 0.000 0.951 822 N CB 0.919 39.465 38.487 0.098 0.000 1.227 822 N HN 0.521 nan 8.380 nan 0.000 0.488 823 A N 2.729 125.598 122.820 0.083 0.000 2.294 823 A HA 0.491 4.812 4.320 0.001 0.000 0.330 823 A C 0.370 177.969 177.584 0.024 0.000 1.133 823 A CA -0.650 51.409 52.037 0.036 0.000 0.836 823 A CB 0.814 19.876 19.000 0.102 0.000 1.190 823 A HN 0.499 nan 8.150 nan 0.000 0.492 824 I N 2.979 123.532 120.570 -0.028 0.000 2.227 824 I HA 0.102 4.273 4.170 0.001 0.000 0.297 824 I C 0.375 176.348 176.117 -0.240 0.000 1.173 824 I CA 0.163 61.412 61.300 -0.086 0.000 1.356 824 I CB -0.729 37.265 38.000 -0.009 0.000 1.485 824 I HN 0.246 nan 8.210 nan 0.000 0.604 825 V N 4.682 124.467 119.914 -0.215 0.000 3.096 825 V HA 0.436 4.556 4.120 0.001 0.000 0.306 825 V C 0.707 176.458 176.094 -0.573 0.000 1.088 825 V CA -0.211 61.939 62.300 -0.250 0.000 1.129 825 V CB 1.535 33.340 31.823 -0.031 0.000 1.014 825 V HN 0.821 nan 8.190 nan 0.000 0.486 826 A N 5.118 127.684 122.820 -0.424 0.000 2.604 826 A HA 0.537 4.858 4.320 0.001 0.000 0.285 826 A C -0.763 176.706 177.584 -0.192 0.000 1.095 826 A CA -0.509 51.236 52.037 -0.487 0.000 0.842 826 A CB 0.441 19.052 19.000 -0.647 0.000 1.385 826 A HN 0.655 nan 8.150 nan 0.000 0.404 827 I N 2.531 123.052 120.570 -0.081 0.000 2.389 827 I HA 0.425 4.596 4.170 0.001 0.000 0.295 827 I C 0.681 176.789 176.117 -0.015 0.000 1.117 827 I CA 0.714 62.023 61.300 0.016 0.000 1.317 827 I CB 0.407 38.488 38.000 0.135 0.000 1.431 827 I HN 0.810 nan 8.210 nan 0.000 0.521 828 A N 5.608 128.418 122.820 -0.018 0.000 2.483 828 A HA 0.571 4.892 4.320 0.001 0.000 0.294 828 A C -1.511 176.094 177.584 0.034 0.000 1.077 828 A CA -0.530 51.502 52.037 -0.008 0.000 0.633 828 A CB 0.982 19.966 19.000 -0.027 0.000 1.318 828 A HN 0.554 nan 8.150 nan 0.000 0.455 829 C N 0.213 119.553 119.300 0.067 0.000 2.341 829 C HA 0.801 5.262 4.460 0.001 0.000 0.338 829 C C 0.238 175.362 174.990 0.224 0.000 1.257 829 C CA -0.018 59.074 59.018 0.124 0.000 1.883 829 C CB 0.314 28.116 27.740 0.102 0.000 2.334 829 C HN 0.804 nan 8.230 nan 0.000 0.524 830 Y N 1.420 121.740 120.300 0.033 0.000 2.473 830 Y HA 0.175 4.725 4.550 0.001 0.000 0.094 830 Y C 2.295 178.224 175.900 0.049 0.000 0.933 830 Y CA 0.771 58.869 58.100 -0.003 0.000 1.798 830 Y CB -0.549 37.876 38.460 -0.058 0.000 1.118 830 Y HN 0.573 nan 8.280 nan 0.000 0.223 831 S N -0.191 115.511 115.700 0.004 0.000 2.382 831 S HA 0.122 4.593 4.470 0.001 0.000 0.228 831 S C 1.572 176.329 174.600 0.261 0.000 1.027 831 S CA 1.448 59.708 58.200 0.099 0.000 0.991 831 S CB -0.533 62.864 63.200 0.328 0.000 0.823 831 S HN 1.377 nan 8.310 nan 0.000 0.469 832 G N -0.861 108.113 108.800 0.291 0.000 2.227 832 G HA2 -0.178 3.782 3.960 0.001 0.000 0.168 832 G HA3 -0.178 3.782 3.960 0.001 0.000 0.168 832 G C 0.396 175.337 174.900 0.069 0.000 1.006 832 G CA 0.096 45.286 45.100 0.150 0.000 0.684 832 G HN 0.436 nan 8.290 nan 0.000 0.489 833 Y N 1.816 122.185 120.300 0.115 0.000 2.475 833 Y HA 0.091 4.641 4.550 0.001 0.000 0.289 833 Y C 2.271 178.222 175.900 0.085 0.000 1.121 833 Y CA 1.158 59.315 58.100 0.095 0.000 1.257 833 Y CB 0.103 38.632 38.460 0.115 0.000 1.026 833 Y HN 0.489 nan 8.280 nan 0.000 0.555 834 N N 0.375 119.210 118.700 0.225 0.000 2.362 834 N HA -0.044 4.697 4.740 0.001 0.000 0.204 834 N C 0.120 175.690 175.510 0.101 0.000 1.166 834 N CA 0.037 53.179 53.050 0.153 0.000 0.831 834 N CB -0.243 38.337 38.487 0.156 0.000 1.008 834 N HN 0.370 nan 8.380 nan 0.000 0.472 835 Q N 0.831 120.671 119.800 0.066 0.000 2.535 835 Q HA 0.046 4.386 4.340 0.001 0.000 0.228 835 Q C -0.238 175.772 176.000 0.018 0.000 1.062 835 Q CA -0.209 55.616 55.803 0.036 0.000 0.967 835 Q CB 0.473 29.202 28.738 -0.014 0.000 1.273 835 Q HN 0.242 nan 8.270 nan 0.000 0.554 836 E N 2.555 122.755 120.200 0.001 0.000 2.023 836 E HA -0.354 3.996 4.350 0.001 0.000 0.164 836 E C -1.083 175.524 176.600 0.011 0.000 1.456 836 E CA 0.852 57.248 56.400 -0.007 0.000 0.617 836 E CB -1.258 28.423 29.700 -0.032 0.000 1.042 836 E HN 0.675 nan 8.360 nan 0.000 0.301 837 D N -0.145 120.275 120.400 0.033 0.000 2.990 837 D HA -0.149 4.491 4.640 0.001 0.000 0.245 837 D C -0.743 175.581 176.300 0.039 0.000 1.120 837 D CA 1.625 55.650 54.000 0.042 0.000 0.838 837 D CB -1.058 39.763 40.800 0.035 0.000 1.000 837 D HN 0.517 nan 8.370 nan 0.000 0.420 838 S N -0.855 114.875 115.700 0.050 0.000 2.580 838 S HA 0.661 5.131 4.470 0.001 0.000 0.281 838 S C -0.373 174.267 174.600 0.067 0.000 1.129 838 S CA -1.156 57.074 58.200 0.050 0.000 0.862 838 S CB 2.687 65.909 63.200 0.038 0.000 1.090 838 S HN 0.263 nan 8.310 nan 0.000 0.451 839 M N 1.371 121.010 119.600 0.066 0.000 2.761 839 M HA 0.688 5.169 4.480 0.001 0.000 0.305 839 M C -1.175 175.180 176.300 0.091 0.000 1.235 839 M CA -0.872 54.467 55.300 0.064 0.000 0.850 839 M CB 0.596 33.196 32.600 -0.000 0.000 1.744 839 M HN 0.756 nan 8.290 nan 0.000 0.480 840 I N 1.148 121.783 120.570 0.109 0.000 2.783 840 I HA 0.549 4.720 4.170 0.001 0.000 0.312 840 I C -0.341 175.826 176.117 0.082 0.000 0.988 840 I CA -0.707 60.687 61.300 0.157 0.000 1.182 840 I CB 1.800 39.957 38.000 0.261 0.000 1.368 840 I HN 0.737 nan 8.210 nan 0.000 0.511 841 M N 3.855 123.511 119.600 0.093 0.000 2.215 841 M HA 0.223 4.704 4.480 0.001 0.000 0.251 841 M C -0.950 175.389 176.300 0.066 0.000 0.987 841 M CA -0.627 54.694 55.300 0.035 0.000 1.025 841 M CB 1.181 33.773 32.600 -0.013 0.000 2.064 841 M HN 0.551 nan 8.290 nan 0.000 0.473 842 N N 3.397 122.135 118.700 0.064 0.000 2.211 842 N HA -0.182 4.558 4.740 0.001 0.000 0.283 842 N C 0.827 176.377 175.510 0.067 0.000 1.393 842 N CA 0.805 53.903 53.050 0.080 0.000 0.954 842 N CB 0.631 39.148 38.487 0.051 0.000 1.349 842 N HN 0.729 nan 8.380 nan 0.000 0.491 843 Q N 2.947 122.794 119.800 0.079 0.000 2.062 843 Q HA -0.237 4.103 4.340 0.001 0.000 0.209 843 Q C 1.434 177.464 176.000 0.050 0.000 0.996 843 Q CA 2.420 58.256 55.803 0.054 0.000 0.859 843 Q CB -0.573 28.192 28.738 0.044 0.000 0.920 843 Q HN 0.690 nan 8.270 nan 0.000 0.415 844 S N 0.324 116.057 115.700 0.055 0.000 2.407 844 S HA -0.301 4.169 4.470 0.001 0.000 0.244 844 S C 1.961 176.586 174.600 0.042 0.000 1.077 844 S CA 2.153 60.380 58.200 0.045 0.000 1.159 844 S CB -1.020 62.208 63.200 0.046 0.000 1.045 844 S HN 0.723 nan 8.310 nan 0.000 0.438 845 S N 1.345 117.069 115.700 0.041 0.000 2.419 845 S HA -0.043 4.427 4.470 0.001 0.000 0.233 845 S C 1.654 176.281 174.600 0.044 0.000 1.016 845 S CA 1.009 59.230 58.200 0.035 0.000 0.974 845 S CB -0.571 62.642 63.200 0.022 0.000 0.786 845 S HN 0.315 nan 8.310 nan 0.000 0.492 846 I N 2.957 123.558 120.570 0.051 0.000 2.454 846 I HA -0.126 4.045 4.170 0.001 0.000 0.254 846 I C 1.919 178.074 176.117 0.063 0.000 1.156 846 I CA 1.105 62.444 61.300 0.065 0.000 1.433 846 I CB -0.456 37.580 38.000 0.061 0.000 1.082 846 I HN 0.186 nan 8.210 nan 0.000 0.432 847 D N 0.488 120.919 120.400 0.052 0.000 2.120 847 D HA -0.059 4.582 4.640 0.001 0.000 0.202 847 D C 1.909 178.243 176.300 0.057 0.000 0.972 847 D CA 0.824 54.853 54.000 0.050 0.000 0.837 847 D CB -0.294 40.529 40.800 0.039 0.000 0.989 847 D HN 0.314 nan 8.370 nan 0.000 0.469 848 R N 0.357 120.890 120.500 0.056 0.000 2.366 848 R HA 0.099 4.440 4.340 0.001 0.000 0.201 848 R C 1.037 177.398 176.300 0.102 0.000 1.057 848 R CA 0.579 56.718 56.100 0.065 0.000 1.086 848 R CB -0.202 30.128 30.300 0.050 0.000 0.914 848 R HN 0.209 nan 8.270 nan 0.000 0.476 849 G N 0.988 109.845 108.800 0.095 0.000 2.141 849 G HA2 -0.248 3.713 3.960 0.001 0.000 0.231 849 G HA3 -0.248 3.713 3.960 0.001 0.000 0.231 849 G C -0.066 174.887 174.900 0.088 0.000 0.984 849 G CA -0.255 44.906 45.100 0.102 0.000 0.660 849 G HN 0.282 nan 8.290 nan 0.000 0.525 850 L N 0.438 121.701 121.223 0.066 0.000 2.499 850 L HA 0.632 4.973 4.340 0.001 0.000 0.273 850 L C 1.248 178.172 176.870 0.089 0.000 1.195 850 L CA 0.453 55.292 54.840 -0.001 0.000 0.882 850 L CB -0.784 41.259 42.059 -0.027 0.000 1.133 850 L HN 0.622 nan 8.230 nan 0.000 0.483 851 F N 2.450 122.396 119.950 -0.007 0.000 3.093 851 F HA -0.315 4.213 4.527 0.001 0.000 0.283 851 F C 1.077 176.863 175.800 -0.024 0.000 0.848 851 F CA 0.664 58.651 58.000 -0.021 0.000 1.059 851 F CB -0.790 38.158 39.000 -0.086 0.000 1.191 851 F HN 0.615 nan 8.300 nan 0.000 0.514 852 R N 0.475 121.028 120.500 0.088 0.000 2.531 852 R HA 0.592 4.932 4.340 0.001 0.000 0.273 852 R C 0.463 176.546 176.300 -0.361 0.000 1.070 852 R CA 0.457 56.482 56.100 -0.124 0.000 1.112 852 R CB 1.461 31.695 30.300 -0.108 0.000 1.049 852 R HN 0.231 nan 8.270 nan 0.000 0.508 853 S N 1.153 116.541 115.700 -0.521 0.000 2.685 853 S HA 0.567 5.037 4.470 0.001 0.000 0.282 853 S C -0.546 173.765 174.600 -0.482 0.000 1.159 853 S CA -1.033 56.911 58.200 -0.427 0.000 0.833 853 S CB 1.253 64.377 63.200 -0.127 0.000 1.151 853 S HN 0.340 nan 8.310 nan 0.000 0.485 854 L N 0.265 121.372 121.223 -0.193 0.000 2.421 854 L HA 0.805 5.145 4.340 0.001 0.000 0.267 854 L C -1.230 175.713 176.870 0.121 0.000 1.036 854 L CA -0.894 53.915 54.840 -0.051 0.000 0.829 854 L CB 1.505 43.645 42.059 0.135 0.000 1.437 854 L HN 0.856 nan 8.230 nan 0.000 0.488 855 F N 0.547 120.439 119.950 -0.096 0.000 2.683 855 F HA 0.455 4.982 4.527 0.001 0.000 0.333 855 F C -1.808 173.913 175.800 -0.131 0.000 1.160 855 F CA -0.742 57.243 58.000 -0.026 0.000 1.099 855 F CB 0.888 39.834 39.000 -0.090 0.000 1.344 855 F HN 0.045 nan 8.300 nan 0.000 0.534 856 F N 4.960 124.355 119.950 -0.924 0.000 2.575 856 F HA 0.813 5.340 4.527 0.001 0.000 0.330 856 F C -0.203 175.014 175.800 -0.971 0.000 1.056 856 F CA -0.901 56.678 58.000 -0.702 0.000 0.964 856 F CB 2.157 40.950 39.000 -0.345 0.000 1.258 856 F HN 0.555 nan 8.300 nan 0.000 0.484 857 R N 0.312 120.596 120.500 -0.360 0.000 2.594 857 R HA 0.645 4.986 4.340 0.001 0.000 0.265 857 R C -2.044 174.118 176.300 -0.229 0.000 1.070 857 R CA -0.572 55.322 56.100 -0.342 0.000 0.909 857 R CB 2.007 32.130 30.300 -0.295 0.000 1.243 857 R HN 0.783 nan 8.270 nan 0.000 0.455 858 S N 2.521 118.037 115.700 -0.306 0.000 2.614 858 S HA 0.505 4.975 4.470 0.001 0.000 0.288 858 S C -1.151 173.264 174.600 -0.309 0.000 1.137 858 S CA -0.840 57.242 58.200 -0.196 0.000 0.992 858 S CB 0.869 64.028 63.200 -0.067 0.000 1.026 858 S HN 0.423 nan 8.310 nan 0.000 0.486 859 Y N 2.061 122.332 120.300 -0.049 0.000 2.458 859 Y HA 0.783 5.333 4.550 0.001 0.000 0.322 859 Y C 0.471 176.322 175.900 -0.082 0.000 1.259 859 Y CA -1.349 56.719 58.100 -0.052 0.000 1.302 859 Y CB 0.900 39.326 38.460 -0.057 0.000 1.314 859 Y HN 0.639 nan 8.280 nan 0.000 0.509 860 M N 1.836 121.484 119.600 0.079 0.000 2.465 860 M HA 0.380 4.860 4.480 0.001 0.000 0.284 860 M C -2.607 173.698 176.300 0.008 0.000 1.212 860 M CA -0.303 54.974 55.300 -0.038 0.000 0.910 860 M CB 2.714 35.278 32.600 -0.061 0.000 1.725 860 M HN 0.878 nan 8.290 nan 0.000 0.477 861 D N 1.895 122.278 120.400 -0.028 0.000 2.654 861 D HA 0.489 5.129 4.640 0.001 0.000 0.231 861 D C -1.741 174.687 176.300 0.215 0.000 1.239 861 D CA 0.080 54.150 54.000 0.117 0.000 0.790 861 D CB 2.229 43.119 40.800 0.150 0.000 1.480 861 D HN 0.758 nan 8.370 nan 0.000 0.442 862 Q N 0.320 120.282 119.800 0.271 0.000 2.552 862 Q HA 0.479 4.819 4.340 0.001 0.000 0.289 862 Q C -0.737 175.317 176.000 0.090 0.000 1.097 862 Q CA -0.887 55.085 55.803 0.281 0.000 0.812 862 Q CB 2.189 31.102 28.738 0.291 0.000 1.460 862 Q HN 0.195 nan 8.270 nan 0.000 0.452 863 E N 1.489 121.657 120.200 -0.054 0.000 2.014 863 E HA 0.180 4.531 4.350 0.001 0.000 0.275 863 E C -0.866 175.667 176.600 -0.112 0.000 0.997 863 E CA -0.260 56.017 56.400 -0.204 0.000 0.804 863 E CB 0.851 30.353 29.700 -0.330 0.000 1.090 863 E HN 0.208 nan 8.360 nan 0.000 0.401 864 K N 2.027 122.369 120.400 -0.096 0.000 2.285 864 K HA 0.163 4.484 4.320 0.001 0.000 0.255 864 K C 0.192 176.649 176.600 -0.239 0.000 1.000 864 K CA 0.125 56.309 56.287 -0.172 0.000 0.887 864 K CB 0.494 32.887 32.500 -0.178 0.000 0.997 864 K HN 0.114 nan 8.250 nan 0.000 0.510 865 K N 1.241 121.371 120.400 -0.451 0.000 2.562 865 K HA 0.290 4.610 4.320 0.001 0.000 0.267 865 K C -1.832 174.412 176.600 -0.592 0.000 0.938 865 K CA -0.710 55.362 56.287 -0.359 0.000 0.840 865 K CB 1.448 33.859 32.500 -0.148 0.000 1.390 865 K HN 0.454 nan 8.250 nan 0.000 0.428 866 Y N 0.137 120.435 120.300 -0.004 0.000 2.402 866 Y HA 0.209 4.760 4.550 0.001 0.000 0.325 866 Y C 1.430 177.331 175.900 0.001 0.000 1.009 866 Y CA -0.562 57.539 58.100 0.001 0.000 1.278 866 Y CB 1.487 39.948 38.460 0.001 0.000 1.105 866 Y HN 0.878 nan 8.280 nan 0.000 0.476 867 G N 2.584 111.443 108.800 0.100 0.000 3.010 867 G HA2 -0.426 3.535 3.960 0.001 0.000 0.260 867 G HA3 -0.426 3.535 3.960 0.001 0.000 0.260 867 G C 1.227 176.169 174.900 0.069 0.000 1.068 867 G CA 1.391 46.531 45.100 0.067 0.000 0.731 867 G HN 0.661 nan 8.290 nan 0.000 0.663 868 M N 1.849 121.499 119.600 0.084 0.000 3.201 868 M HA 0.233 4.714 4.480 0.001 0.000 0.194 868 M C 0.483 176.817 176.300 0.057 0.000 1.313 868 M CA 0.079 55.414 55.300 0.058 0.000 1.332 868 M CB -0.563 32.063 32.600 0.044 0.000 1.542 868 M HN 0.181 nan 8.290 nan 0.000 0.428 869 S N 1.329 117.066 115.700 0.063 0.000 3.272 869 S HA -0.157 4.314 4.470 0.001 0.000 0.355 869 S C -0.411 174.226 174.600 0.061 0.000 0.875 869 S CA 0.570 58.803 58.200 0.056 0.000 1.357 869 S CB -1.228 61.992 63.200 0.033 0.000 1.069 869 S HN 0.633 nan 8.310 nan 0.000 0.561 870 I N 1.996 122.630 120.570 0.107 0.000 2.586 870 I HA 0.309 4.480 4.170 0.001 0.000 0.288 870 I C -0.083 176.141 176.117 0.177 0.000 1.147 870 I CA -0.401 60.964 61.300 0.107 0.000 1.047 870 I CB 2.473 40.508 38.000 0.058 0.000 1.244 870 I HN 0.294 nan 8.210 nan 0.000 0.429 871 T N 3.820 118.433 114.554 0.099 0.000 2.907 871 T HA 0.422 4.773 4.350 0.001 0.000 0.292 871 T C -0.409 174.319 174.700 0.046 0.000 1.043 871 T CA -0.844 61.299 62.100 0.071 0.000 1.003 871 T CB 2.200 71.072 68.868 0.006 0.000 1.084 871 T HN 0.414 nan 8.240 nan 0.000 0.483 872 E N 0.844 121.053 120.200 0.015 0.000 2.345 872 E HA 0.576 4.926 4.350 0.001 0.000 0.259 872 E C -0.419 176.116 176.600 -0.107 0.000 1.117 872 E CA -0.548 55.843 56.400 -0.016 0.000 0.913 872 E CB 0.880 30.567 29.700 -0.022 0.000 1.057 872 E HN 0.485 nan 8.360 nan 0.000 0.432 873 T N 0.781 115.284 114.554 -0.085 0.000 2.883 873 T HA 0.342 4.692 4.350 0.001 0.000 0.301 873 T C -0.856 173.862 174.700 0.030 0.000 1.158 873 T CA -0.683 61.356 62.100 -0.101 0.000 1.007 873 T CB 0.613 69.475 68.868 -0.011 0.000 1.186 873 T HN 0.280 nan 8.240 nan 0.000 0.499 874 F N 2.818 122.788 119.950 0.032 0.000 2.351 874 F HA 0.376 4.903 4.527 0.001 0.000 0.362 874 F C 1.078 176.896 175.800 0.029 0.000 1.131 874 F CA -0.699 57.318 58.000 0.029 0.000 1.187 874 F CB 0.412 39.425 39.000 0.022 0.000 1.434 874 F HN 0.606 nan 8.300 nan 0.000 0.553 875 E N 1.583 121.915 120.200 0.220 0.000 2.446 875 E HA 0.381 4.731 4.350 0.001 0.000 0.269 875 E C -1.423 175.244 176.600 0.111 0.000 0.977 875 E CA -1.400 55.077 56.400 0.129 0.000 0.854 875 E CB 1.909 31.663 29.700 0.089 0.000 1.545 875 E HN 0.223 nan 8.360 nan 0.000 0.448 876 K N 1.880 122.325 120.400 0.075 0.000 2.423 876 K HA 0.320 4.640 4.320 0.001 0.000 0.234 876 K C -2.175 174.420 176.600 -0.009 0.000 1.051 876 K CA -1.749 54.578 56.287 0.066 0.000 1.021 876 K CB 0.654 33.193 32.500 0.065 0.000 1.474 876 K HN 0.376 nan 8.250 nan 0.000 0.474 877 P HA 0.131 nan 4.420 nan 0.000 0.286 877 P C -1.498 175.685 177.300 -0.194 0.000 1.293 877 P CA -0.330 62.704 63.100 -0.110 0.000 0.770 877 P CB 0.699 32.340 31.700 -0.099 0.000 1.206 878 Q N -1.629 118.077 119.800 -0.157 0.000 2.613 878 Q HA 0.345 4.686 4.340 0.001 0.000 0.231 878 Q C -0.127 175.811 176.000 -0.103 0.000 0.879 878 Q CA -0.893 54.816 55.803 -0.156 0.000 1.083 878 Q CB 1.025 29.694 28.738 -0.115 0.000 1.588 878 Q HN 0.240 nan 8.270 nan 0.000 0.500 879 R N 0.828 121.266 120.500 -0.103 0.000 3.531 879 R HA -0.213 4.127 4.340 0.001 0.000 0.582 879 R C -0.408 175.860 176.300 -0.054 0.000 0.241 879 R CA 1.760 57.819 56.100 -0.068 0.000 1.798 879 R CB -2.252 28.018 30.300 -0.050 0.000 0.875 879 R HN 1.477 nan 8.270 nan 0.000 0.617 880 T N 1.375 115.906 114.554 -0.039 0.000 3.245 880 T HA -0.154 4.196 4.350 0.001 0.000 0.434 880 T C 0.464 175.147 174.700 -0.027 0.000 0.770 880 T CA 1.037 63.119 62.100 -0.030 0.000 2.278 880 T CB -0.878 67.972 68.868 -0.031 0.000 1.692 880 T HN 0.638 nan 8.240 nan 0.000 0.677 881 N N -0.743 117.943 118.700 -0.023 0.000 3.181 881 N HA -0.227 4.513 4.740 0.001 0.000 0.233 881 N C 1.433 176.931 175.510 -0.021 0.000 0.511 881 N CA 1.549 54.587 53.050 -0.019 0.000 2.050 881 N CB -1.786 36.690 38.487 -0.018 0.000 1.686 881 N HN 0.514 nan 8.380 nan 0.000 0.335 882 T N 2.457 116.998 114.554 -0.022 0.000 2.567 882 T HA -0.154 4.196 4.350 0.001 0.000 0.261 882 T C 1.557 176.243 174.700 -0.024 0.000 1.123 882 T CA 3.162 65.249 62.100 -0.021 0.000 1.166 882 T CB -0.300 68.555 68.868 -0.021 0.000 0.860 882 T HN 0.520 nan 8.240 nan 0.000 0.436 883 L N -2.707 118.497 121.223 -0.033 0.000 4.110 883 L HA -0.157 4.184 4.340 0.001 0.000 0.404 883 L C 0.390 177.233 176.870 -0.045 0.000 0.763 883 L CA 0.332 55.148 54.840 -0.039 0.000 2.413 883 L CB -1.215 40.828 42.059 -0.027 0.000 1.244 883 L HN 0.199 nan 8.230 nan 0.000 0.614 884 R N 1.646 122.123 120.500 -0.037 0.000 2.387 884 R HA 0.442 4.782 4.340 0.001 0.000 0.321 884 R C 0.208 176.487 176.300 -0.036 0.000 1.174 884 R CA 0.494 56.573 56.100 -0.035 0.000 1.002 884 R CB 0.387 30.675 30.300 -0.020 0.000 1.028 884 R HN 0.369 nan 8.270 nan 0.000 0.482 885 M N 0.965 120.534 119.600 -0.051 0.000 2.508 885 M HA 0.443 4.923 4.480 0.001 0.000 0.275 885 M C -0.205 176.090 176.300 -0.009 0.000 1.251 885 M CA -0.777 54.513 55.300 -0.016 0.000 1.433 885 M CB 0.868 33.421 32.600 -0.078 0.000 1.688 885 M HN 0.069 nan 8.290 nan 0.000 0.777 886 K N -0.165 120.285 120.400 0.083 0.000 2.349 886 K HA 0.404 4.725 4.320 0.001 0.000 0.243 886 K C 0.598 177.177 176.600 -0.035 0.000 1.058 886 K CA -0.597 55.694 56.287 0.007 0.000 0.871 886 K CB 0.697 33.247 32.500 0.083 0.000 1.337 886 K HN 0.521 nan 8.250 nan 0.000 0.469 887 H N -0.037 119.085 119.070 0.086 0.000 2.451 887 H HA 0.088 4.645 4.556 0.001 0.000 0.294 887 H C 0.975 176.343 175.328 0.065 0.000 1.028 887 H CA 0.768 56.855 56.048 0.066 0.000 1.349 887 H CB 0.061 29.840 29.762 0.029 0.000 1.444 887 H HN 0.750 nan 8.280 nan 0.000 0.538 888 G N 0.809 109.686 108.800 0.128 0.000 2.945 888 G HA2 -0.077 3.883 3.960 0.001 0.000 0.248 888 G HA3 -0.077 3.883 3.960 0.001 0.000 0.248 888 G C -0.194 174.735 174.900 0.049 0.000 1.250 888 G CA 0.004 45.117 45.100 0.021 0.000 0.886 888 G HN 0.203 nan 8.290 nan 0.000 0.609 889 T N 0.950 115.503 114.554 -0.002 0.000 2.743 889 T HA 0.244 4.594 4.350 0.001 0.000 0.293 889 T C 0.472 175.177 174.700 0.008 0.000 0.945 889 T CA -0.038 62.094 62.100 0.053 0.000 1.030 889 T CB 0.833 69.715 68.868 0.023 0.000 0.912 889 T HN 0.410 nan 8.240 nan 0.000 0.483 890 Y N 1.316 121.606 120.300 -0.017 0.000 2.420 890 Y HA -0.024 4.527 4.550 0.001 0.000 0.292 890 Y C 2.223 178.108 175.900 -0.023 0.000 1.119 890 Y CA 0.286 58.372 58.100 -0.024 0.000 1.229 890 Y CB -0.092 38.357 38.460 -0.019 0.000 1.026 890 Y HN 0.622 nan 8.280 nan 0.000 0.554 891 D N 0.589 121.066 120.400 0.128 0.000 2.347 891 D HA -0.228 4.412 4.640 0.001 0.000 0.208 891 D C 1.214 177.531 176.300 0.028 0.000 0.994 891 D CA 1.377 55.415 54.000 0.064 0.000 0.924 891 D CB -0.181 40.646 40.800 0.044 0.000 0.892 891 D HN 0.438 nan 8.370 nan 0.000 0.471 892 K N -0.175 120.227 120.400 0.004 0.000 2.444 892 K HA 0.142 4.462 4.320 0.001 0.000 0.193 892 K C 0.682 177.266 176.600 -0.026 0.000 1.024 892 K CA -0.086 56.188 56.287 -0.021 0.000 1.077 892 K CB 0.558 33.031 32.500 -0.046 0.000 0.833 892 K HN 0.112 nan 8.250 nan 0.000 0.517 893 L N 1.422 122.641 121.223 -0.007 0.000 2.312 893 L HA 0.163 4.504 4.340 0.001 0.000 0.281 893 L C -0.170 176.703 176.870 0.006 0.000 1.070 893 L CA -0.553 54.282 54.840 -0.009 0.000 0.805 893 L CB 1.142 43.213 42.059 0.020 0.000 1.174 893 L HN -0.025 nan 8.230 nan 0.000 0.434 894 D N 0.503 120.898 120.400 -0.008 0.000 2.312 894 D HA 0.080 4.721 4.640 0.001 0.000 0.248 894 D C 0.472 176.779 176.300 0.011 0.000 1.086 894 D CA -0.224 53.777 54.000 0.000 0.000 0.948 894 D CB 1.153 41.949 40.800 -0.008 0.000 1.162 894 D HN 0.450 nan 8.370 nan 0.000 0.446 895 D N -0.274 120.137 120.400 0.018 0.000 2.357 895 D HA -0.155 4.486 4.640 0.001 0.000 0.216 895 D C 0.862 177.185 176.300 0.038 0.000 0.973 895 D CA 0.949 54.966 54.000 0.028 0.000 0.912 895 D CB -0.027 40.788 40.800 0.025 0.000 0.900 895 D HN 0.475 nan 8.370 nan 0.000 0.501 896 D N -1.422 118.995 120.400 0.028 0.000 2.339 896 D HA 0.117 4.757 4.640 0.001 0.000 0.217 896 D C 1.223 177.542 176.300 0.032 0.000 1.050 896 D CA 0.418 54.444 54.000 0.044 0.000 0.856 896 D CB -0.034 40.785 40.800 0.030 0.000 0.922 896 D HN 0.062 nan 8.370 nan 0.000 0.518 897 G N 0.048 108.848 108.800 -0.000 0.000 2.248 897 G HA2 -0.141 3.819 3.960 0.001 0.000 0.252 897 G HA3 -0.141 3.819 3.960 0.001 0.000 0.252 897 G C -0.398 174.395 174.900 -0.178 0.000 1.085 897 G CA 0.188 45.258 45.100 -0.050 0.000 0.845 897 G HN 0.388 nan 8.290 nan 0.000 0.494 898 L N -0.906 120.239 121.223 -0.131 0.000 2.506 898 L HA 0.571 4.912 4.340 0.001 0.000 0.257 898 L C 0.533 177.342 176.870 -0.102 0.000 0.964 898 L CA -1.309 53.437 54.840 -0.157 0.000 0.836 898 L CB 1.839 43.802 42.059 -0.160 0.000 1.384 898 L HN 0.059 nan 8.230 nan 0.000 0.410 899 I N 1.484 121.990 120.570 -0.107 0.000 2.720 899 I HA 0.378 4.548 4.170 0.001 0.000 0.287 899 I C 0.696 176.779 176.117 -0.057 0.000 1.090 899 I CA -0.251 61.002 61.300 -0.079 0.000 1.384 899 I CB 1.373 39.319 38.000 -0.089 0.000 1.420 899 I HN 0.679 nan 8.210 nan 0.000 0.575 900 A N 6.157 128.953 122.820 -0.040 0.000 2.320 900 A HA 0.404 4.724 4.320 0.001 0.000 0.287 900 A C -1.561 176.011 177.584 -0.021 0.000 1.181 900 A CA -1.444 50.577 52.037 -0.026 0.000 0.831 900 A CB 0.167 19.156 19.000 -0.018 0.000 1.102 900 A HN 0.563 nan 8.150 nan 0.000 0.513 901 P HA -0.266 nan 4.420 nan 0.000 0.223 901 P C 1.465 178.764 177.300 -0.002 0.000 1.153 901 P CA 2.331 65.429 63.100 -0.003 0.000 0.853 901 P CB 0.269 31.972 31.700 0.006 0.000 0.777 902 G N -1.842 106.955 108.800 -0.005 0.000 2.539 902 G HA2 0.006 3.967 3.960 0.001 0.000 0.215 902 G HA3 0.006 3.967 3.960 0.001 0.000 0.215 902 G C 0.372 175.266 174.900 -0.010 0.000 1.141 902 G CA -0.100 44.997 45.100 -0.004 0.000 0.806 902 G HN 0.138 nan 8.290 nan 0.000 0.533 903 V N 0.454 120.358 119.914 -0.016 0.000 3.098 903 V HA 0.000 4.121 4.120 0.001 0.000 0.298 903 V C 0.730 176.809 176.094 -0.024 0.000 1.200 903 V CA 0.486 62.773 62.300 -0.022 0.000 1.321 903 V CB 0.604 32.409 31.823 -0.031 0.000 0.947 903 V HN 0.363 nan 8.190 nan 0.000 0.513 904 R N 2.565 123.051 120.500 -0.024 0.000 2.310 904 R HA 0.615 4.955 4.340 0.001 0.000 0.324 904 R C -0.712 175.570 176.300 -0.031 0.000 0.955 904 R CA -0.471 55.614 56.100 -0.024 0.000 0.830 904 R CB 1.485 31.775 30.300 -0.017 0.000 1.154 904 R HN 0.722 nan 8.270 nan 0.000 0.458 905 V N 0.874 120.767 119.914 -0.035 0.000 3.177 905 V HA 0.768 4.888 4.120 0.001 0.000 0.319 905 V C 0.046 176.119 176.094 -0.035 0.000 1.125 905 V CA -0.080 62.193 62.300 -0.045 0.000 1.029 905 V CB 1.933 33.716 31.823 -0.066 0.000 1.119 905 V HN 0.955 nan 8.190 nan 0.000 0.452 906 S N 0.419 116.095 115.700 -0.040 0.000 5.444 906 S HA 0.456 4.926 4.470 0.001 0.000 0.141 906 S C 1.429 176.010 174.600 -0.031 0.000 1.258 906 S CA 0.286 58.468 58.200 -0.030 0.000 1.126 906 S CB -0.204 62.981 63.200 -0.025 0.000 2.053 906 S HN 1.531 nan 8.310 nan 0.000 0.692 907 G N 1.571 110.352 108.800 -0.031 0.000 2.470 907 G HA2 0.017 3.978 3.960 0.001 0.000 0.173 907 G HA3 0.017 3.978 3.960 0.001 0.000 0.173 907 G C 0.128 175.006 174.900 -0.036 0.000 1.515 907 G CA 0.873 45.955 45.100 -0.029 0.000 0.889 907 G HN 0.684 nan 8.290 nan 0.000 0.467 908 E N 1.066 121.244 120.200 -0.037 0.000 2.651 908 E HA 0.194 4.545 4.350 0.001 0.000 0.213 908 E C -0.806 175.742 176.600 -0.086 0.000 1.028 908 E CA -0.315 56.056 56.400 -0.048 0.000 1.183 908 E CB 0.256 29.949 29.700 -0.011 0.000 1.188 908 E HN 0.464 nan 8.360 nan 0.000 0.444 909 D N 0.315 120.653 120.400 -0.103 0.000 2.364 909 D HA -0.002 4.639 4.640 0.001 0.000 0.236 909 D C -0.065 176.095 176.300 -0.234 0.000 1.221 909 D CA 0.011 53.924 54.000 -0.146 0.000 0.891 909 D CB 0.828 41.555 40.800 -0.121 0.000 1.190 909 D HN -0.155 nan 8.370 nan 0.000 0.449 910 V N 1.423 121.135 119.914 -0.336 0.000 2.407 910 V HA 0.162 4.282 4.120 0.001 0.000 0.278 910 V C 0.978 176.877 176.094 -0.326 0.000 1.037 910 V CA -0.308 61.733 62.300 -0.431 0.000 0.900 910 V CB 1.255 32.590 31.823 -0.814 0.000 0.983 910 V HN 0.516 nan 8.190 nan 0.000 0.459 911 I N 4.564 124.946 120.570 -0.313 0.000 3.854 911 I HA 0.308 4.479 4.170 0.001 0.000 0.312 911 I C 0.161 176.129 176.117 -0.248 0.000 1.273 911 I CA 0.838 61.969 61.300 -0.281 0.000 1.298 911 I CB 0.439 38.216 38.000 -0.372 0.000 1.071 911 I HN 0.407 nan 8.210 nan 0.000 0.428 912 I N 0.705 121.129 120.570 -0.243 0.000 2.586 912 I HA 0.312 4.483 4.170 0.001 0.000 0.288 912 I C -0.189 175.845 176.117 -0.138 0.000 1.147 912 I CA -0.524 60.638 61.300 -0.231 0.000 1.047 912 I CB 2.008 39.854 38.000 -0.257 0.000 1.244 912 I HN -0.103 nan 8.210 nan 0.000 0.429 913 G N 5.297 114.047 108.800 -0.084 0.000 2.319 913 G HA2 0.563 4.523 3.960 0.001 0.000 0.308 913 G HA3 0.563 4.523 3.960 0.001 0.000 0.308 913 G C -0.899 174.118 174.900 0.195 0.000 1.117 913 G CA -0.287 44.867 45.100 0.089 0.000 0.903 913 G HN 0.597 nan 8.290 nan 0.000 0.436 914 K N 0.841 121.389 120.400 0.248 0.000 2.508 914 K HA 0.718 5.038 4.320 0.001 0.000 0.260 914 K C -0.747 175.966 176.600 0.188 0.000 0.949 914 K CA -0.671 55.819 56.287 0.339 0.000 0.834 914 K CB 2.216 34.950 32.500 0.390 0.000 1.365 914 K HN 0.618 nan 8.250 nan 0.000 0.437 915 T N -1.112 113.521 114.554 0.132 0.000 2.896 915 T HA 0.561 4.911 4.350 0.001 0.000 0.297 915 T C -0.850 173.885 174.700 0.057 0.000 1.108 915 T CA -0.643 61.505 62.100 0.080 0.000 1.004 915 T CB 1.838 70.742 68.868 0.060 0.000 1.159 915 T HN 0.377 nan 8.240 nan 0.000 0.499 916 T N 3.490 118.073 114.554 0.049 0.000 2.916 916 T HA 0.676 5.027 4.350 0.001 0.000 0.298 916 T C -2.922 171.787 174.700 0.015 0.000 1.031 916 T CA -1.119 61.008 62.100 0.045 0.000 0.993 916 T CB 2.079 70.983 68.868 0.061 0.000 1.045 916 T HN 0.648 nan 8.240 nan 0.000 0.454 917 P HA 0.594 nan 4.420 nan 0.000 0.296 917 P C -1.315 175.954 177.300 -0.051 0.000 1.306 917 P CA -0.632 62.455 63.100 -0.021 0.000 0.818 917 P CB 1.073 32.763 31.700 -0.017 0.000 0.969 918 I N 2.402 122.945 120.570 -0.044 0.000 2.548 918 I HA 0.217 4.388 4.170 0.001 0.000 0.287 918 I C 0.504 176.595 176.117 -0.043 0.000 1.103 918 I CA -0.349 60.917 61.300 -0.057 0.000 1.049 918 I CB 1.986 39.957 38.000 -0.048 0.000 1.232 918 I HN 0.448 nan 8.210 nan 0.000 0.429 934 K N 3.139 123.530 120.400 -0.016 0.000 2.222 934 K HA 0.315 4.636 4.320 0.001 0.000 0.243 934 K C -0.518 176.074 176.600 -0.013 0.000 1.160 934 K CA -0.077 56.200 56.287 -0.017 0.000 1.090 934 K CB 0.325 32.807 32.500 -0.031 0.000 1.694 934 K HN 0.372 nan 8.250 nan 0.000 0.361 935 R N 1.729 122.228 120.500 -0.001 0.000 2.229 935 R HA 0.163 4.504 4.340 0.001 0.000 0.328 935 R C 0.027 176.342 176.300 0.024 0.000 1.009 935 R CA -0.584 55.520 56.100 0.007 0.000 0.864 935 R CB 1.159 31.464 30.300 0.009 0.000 1.085 935 R HN 0.415 nan 8.270 nan 0.000 0.453 936 D N 1.650 122.068 120.400 0.029 0.000 2.329 936 D HA 0.294 4.935 4.640 0.001 0.000 0.246 936 D C -0.200 176.143 176.300 0.071 0.000 1.111 936 D CA -0.126 53.910 54.000 0.060 0.000 0.941 936 D CB 1.560 42.404 40.800 0.074 0.000 1.169 936 D HN 0.599 nan 8.370 nan 0.000 0.441 937 A N 1.592 124.470 122.820 0.097 0.000 2.502 937 A HA 0.202 4.522 4.320 0.001 0.000 0.253 937 A C 0.246 177.891 177.584 0.101 0.000 0.938 937 A CA -0.358 51.735 52.037 0.094 0.000 1.086 937 A CB -0.142 18.920 19.000 0.103 0.000 1.176 937 A HN 0.345 nan 8.150 nan 0.000 0.499 938 S N 0.852 116.612 115.700 0.101 0.000 2.587 938 S HA 0.434 4.905 4.470 0.001 0.000 0.260 938 S C 0.307 174.900 174.600 -0.011 0.000 1.353 938 S CA 0.381 58.612 58.200 0.052 0.000 0.995 938 S CB 0.559 63.795 63.200 0.060 0.000 0.912 938 S HN 0.473 nan 8.310 nan 0.000 0.568 939 T N 3.719 118.225 114.554 -0.080 0.000 2.786 939 T HA 0.530 4.881 4.350 0.001 0.000 0.283 939 T C -2.677 171.896 174.700 -0.211 0.000 0.992 939 T CA -1.206 60.830 62.100 -0.107 0.000 0.954 939 T CB 1.564 70.378 68.868 -0.091 0.000 0.934 939 T HN 0.392 nan 8.240 nan 0.000 0.440 940 P HA 0.437 nan 4.420 nan 0.000 0.290 940 P C -0.685 176.463 177.300 -0.253 0.000 1.283 940 P CA -0.972 61.996 63.100 -0.221 0.000 0.869 940 P CB 1.367 32.984 31.700 -0.138 0.000 1.100 941 L N 3.267 124.325 121.223 -0.276 0.000 2.477 941 L HA 0.130 4.471 4.340 0.001 0.000 0.272 941 L C 0.946 177.793 176.870 -0.039 0.000 1.157 941 L CA 0.128 54.828 54.840 -0.235 0.000 0.889 941 L CB -0.453 41.506 42.059 -0.167 0.000 1.158 941 L HN 0.315 nan 8.230 nan 0.000 0.473 942 R N 3.950 124.512 120.500 0.104 0.000 2.955 942 R HA -0.161 4.179 4.340 0.001 0.000 0.334 942 R C 1.636 177.958 176.300 0.038 0.000 0.778 942 R CA 0.706 56.865 56.100 0.100 0.000 1.110 942 R CB -0.058 30.332 30.300 0.149 0.000 0.889 942 R HN 1.095 nan 8.270 nan 0.000 0.396 943 S N 1.775 117.482 115.700 0.012 0.000 2.615 943 S HA -0.389 4.081 4.470 0.001 0.000 0.330 943 S C 1.938 176.531 174.600 -0.012 0.000 1.300 943 S CA 2.551 60.748 58.200 -0.006 0.000 1.166 943 S CB -1.088 62.105 63.200 -0.011 0.000 1.246 943 S HN 0.815 nan 8.310 nan 0.000 0.442 944 T N -0.304 114.241 114.554 -0.016 0.000 2.812 944 T HA 0.132 4.482 4.350 0.001 0.000 0.264 944 T C 0.989 175.675 174.700 -0.023 0.000 1.042 944 T CA 0.902 62.986 62.100 -0.027 0.000 1.140 944 T CB -0.584 68.258 68.868 -0.045 0.000 0.870 944 T HN 0.675 nan 8.240 nan 0.000 0.445 945 E N 2.315 122.513 120.200 -0.002 0.000 2.718 945 E HA 0.354 4.705 4.350 0.001 0.000 0.263 945 E C 0.098 176.703 176.600 0.008 0.000 1.434 945 E CA 0.082 56.487 56.400 0.009 0.000 1.106 945 E CB 0.180 29.923 29.700 0.072 0.000 1.029 945 E HN 0.724 nan 8.360 nan 0.000 0.631 946 N N -1.503 117.209 118.700 0.020 0.000 4.409 946 N HA 0.324 5.065 4.740 0.001 0.000 0.208 946 N C -0.705 174.812 175.510 0.011 0.000 1.233 946 N CA 0.025 53.078 53.050 0.005 0.000 0.881 946 N CB 0.576 39.054 38.487 -0.014 0.000 1.507 946 N HN 0.657 nan 8.380 nan 0.000 0.511 947 G N -0.299 108.500 108.800 -0.001 0.000 2.368 947 G HA2 0.372 4.332 3.960 0.001 0.000 0.269 947 G HA3 0.372 4.332 3.960 0.001 0.000 0.269 947 G C -2.053 172.836 174.900 -0.018 0.000 1.291 947 G CA -0.402 44.693 45.100 -0.007 0.000 0.903 947 G HN 0.588 nan 8.290 nan 0.000 0.483 948 I N 0.701 121.253 120.570 -0.029 0.000 2.441 948 I HA 0.540 4.711 4.170 0.001 0.000 0.295 948 I C 0.932 177.028 176.117 -0.034 0.000 0.994 948 I CA -0.758 60.523 61.300 -0.031 0.000 1.144 948 I CB 1.771 39.753 38.000 -0.029 0.000 1.314 948 I HN 0.414 nan 8.210 nan 0.000 0.445 949 V N 4.104 124.003 119.914 -0.025 0.000 3.432 949 V HA 0.023 4.143 4.120 0.001 0.000 0.304 949 V C 0.452 176.542 176.094 -0.007 0.000 1.107 949 V CA 0.637 62.928 62.300 -0.016 0.000 1.153 949 V CB 0.955 32.765 31.823 -0.021 0.000 1.072 949 V HN 1.007 nan 8.190 nan 0.000 0.485 950 D N -1.049 119.362 120.400 0.019 0.000 2.971 950 D HA 0.152 4.793 4.640 0.001 0.000 0.221 950 D C 0.197 176.539 176.300 0.070 0.000 1.406 950 D CA 0.035 54.065 54.000 0.051 0.000 1.328 950 D CB 0.670 41.521 40.800 0.085 0.000 1.369 950 D HN 0.557 nan 8.370 nan 0.000 0.364 951 Q N 0.801 120.647 119.800 0.078 0.000 2.315 951 Q HA 0.593 4.933 4.340 0.001 0.000 0.273 951 Q C -1.757 174.264 176.000 0.035 0.000 1.053 951 Q CA -0.728 55.111 55.803 0.060 0.000 0.817 951 Q CB 2.585 31.372 28.738 0.081 0.000 1.326 951 Q HN 0.090 nan 8.270 nan 0.000 0.423 952 V N 3.365 123.286 119.914 0.011 0.000 3.164 952 V HA 0.725 4.846 4.120 0.001 0.000 0.313 952 V C -0.767 175.319 176.094 -0.013 0.000 1.188 952 V CA -0.823 61.468 62.300 -0.014 0.000 1.058 952 V CB 2.356 34.158 31.823 -0.035 0.000 1.110 952 V HN 0.816 nan 8.190 nan 0.000 0.453 953 L N -0.583 120.622 121.223 -0.031 0.000 2.830 953 L HA 0.699 5.040 4.340 0.001 0.000 0.259 953 L C -1.950 174.909 176.870 -0.018 0.000 0.926 953 L CA -0.653 54.180 54.840 -0.011 0.000 0.993 953 L CB 1.550 43.614 42.059 0.008 0.000 1.589 953 L HN 0.333 nan 8.230 nan 0.000 0.460 954 V N 2.012 121.935 119.914 0.015 0.000 2.417 954 V HA 0.827 4.948 4.120 0.001 0.000 0.291 954 V C 0.230 176.379 176.094 0.091 0.000 1.024 954 V CA 0.062 62.391 62.300 0.049 0.000 0.861 954 V CB 1.526 33.382 31.823 0.056 0.000 0.985 954 V HN 0.977 nan 8.190 nan 0.000 0.436 955 T N 2.283 116.929 114.554 0.152 0.000 2.812 955 T HA 0.499 4.849 4.350 0.001 0.000 0.294 955 T C -0.285 174.540 174.700 0.209 0.000 1.159 955 T CA -0.532 61.675 62.100 0.178 0.000 1.008 955 T CB 2.157 71.161 68.868 0.227 0.000 1.289 955 T HN 0.614 nan 8.240 nan 0.000 0.514 956 T N 2.318 116.953 114.554 0.134 0.000 2.943 956 T HA 0.616 4.967 4.350 0.001 0.000 0.284 956 T C -0.427 174.296 174.700 0.039 0.000 1.015 956 T CA -0.720 61.434 62.100 0.089 0.000 1.042 956 T CB 0.811 69.700 68.868 0.035 0.000 1.055 956 T HN 0.564 nan 8.240 nan 0.000 0.500 957 N N 0.854 119.547 118.700 -0.011 0.000 2.504 957 N HA 0.209 4.949 4.740 0.001 0.000 0.280 957 N C 0.899 176.363 175.510 -0.077 0.000 1.052 957 N CA -0.405 52.573 53.050 -0.119 0.000 0.887 957 N CB 0.843 39.178 38.487 -0.254 0.000 1.323 957 N HN 0.693 nan 8.380 nan 0.000 0.509 958 Q N 1.151 120.912 119.800 -0.065 0.000 2.726 958 Q HA -0.392 3.948 4.340 0.001 0.000 0.255 958 Q C 0.139 176.123 176.000 -0.028 0.000 1.486 958 Q CA 2.733 58.513 55.803 -0.038 0.000 1.024 958 Q CB -0.836 27.880 28.738 -0.037 0.000 0.876 958 Q HN 0.739 nan 8.270 nan 0.000 0.624 959 D N -0.545 119.835 120.400 -0.034 0.000 2.357 959 D HA -0.071 4.570 4.640 0.001 0.000 0.216 959 D C 1.171 177.458 176.300 -0.021 0.000 0.973 959 D CA 1.562 55.546 54.000 -0.027 0.000 0.912 959 D CB -0.239 40.539 40.800 -0.036 0.000 0.900 959 D HN 0.682 nan 8.370 nan 0.000 0.501 960 G N 0.099 108.888 108.800 -0.018 0.000 2.130 960 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 960 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 960 G C 0.187 175.086 174.900 -0.002 0.000 0.999 960 G CA -0.003 45.092 45.100 -0.007 0.000 0.686 960 G HN 0.294 nan 8.290 nan 0.000 0.515 961 L N -0.064 121.159 121.223 -0.001 0.000 2.375 961 L HA 0.483 4.823 4.340 0.001 0.000 0.271 961 L C 0.948 177.857 176.870 0.064 0.000 1.107 961 L CA -0.819 54.024 54.840 0.006 0.000 0.806 961 L CB 0.746 42.804 42.059 -0.002 0.000 1.146 961 L HN -0.025 nan 8.230 nan 0.000 0.447 962 K N 2.082 122.511 120.400 0.048 0.000 2.383 962 K HA 0.228 4.548 4.320 0.001 0.000 0.286 962 K C -0.965 175.808 176.600 0.287 0.000 1.051 962 K CA 0.025 56.396 56.287 0.141 0.000 0.974 962 K CB 0.470 33.026 32.500 0.093 0.000 0.968 962 K HN 0.259 nan 8.250 nan 0.000 0.475 963 F N 3.817 123.847 119.950 0.135 0.000 2.482 963 F HA 0.427 4.955 4.527 0.001 0.000 0.331 963 F C -0.868 175.024 175.800 0.153 0.000 1.115 963 F CA -0.903 57.181 58.000 0.140 0.000 0.955 963 F CB 1.151 40.199 39.000 0.080 0.000 1.136 963 F HN 0.144 nan 8.300 nan 0.000 0.452 964 V N 6.008 125.682 119.914 -0.401 0.000 2.925 964 V HA 0.515 4.635 4.120 0.001 0.000 0.311 964 V C -1.156 174.642 176.094 -0.493 0.000 1.104 964 V CA -0.904 61.180 62.300 -0.360 0.000 0.954 964 V CB 2.600 34.294 31.823 -0.215 0.000 1.022 964 V HN 0.713 nan 8.190 nan 0.000 0.427 965 K N 3.093 123.300 120.400 -0.323 0.000 2.443 965 K HA 0.765 5.086 4.320 0.001 0.000 0.252 965 K C -1.733 174.811 176.600 -0.094 0.000 0.933 965 K CA -0.631 55.530 56.287 -0.209 0.000 0.792 965 K CB 2.589 34.988 32.500 -0.169 0.000 1.185 965 K HN 0.390 nan 8.250 nan 0.000 0.425 966 V N 2.848 122.748 119.914 -0.023 0.000 2.540 966 V HA 0.468 4.588 4.120 0.001 0.000 0.302 966 V C -0.442 175.717 176.094 0.108 0.000 1.035 966 V CA -0.869 61.443 62.300 0.020 0.000 0.873 966 V CB 1.799 33.617 31.823 -0.007 0.000 0.992 966 V HN 0.673 nan 8.190 nan 0.000 0.428 967 R N 3.180 123.733 120.500 0.088 0.000 2.562 967 R HA 0.810 5.150 4.340 0.001 0.000 0.298 967 R C -1.792 174.569 176.300 0.102 0.000 0.961 967 R CA -0.393 55.775 56.100 0.113 0.000 0.881 967 R CB 2.032 32.409 30.300 0.130 0.000 1.159 967 R HN 0.535 nan 8.270 nan 0.000 0.450 968 V N 4.565 124.533 119.914 0.091 0.000 2.555 968 V HA 0.551 4.671 4.120 0.001 0.000 0.302 968 V C -0.196 175.811 176.094 -0.145 0.000 1.038 968 V CA -0.863 61.449 62.300 0.021 0.000 0.887 968 V CB 1.600 33.486 31.823 0.104 0.000 0.991 968 V HN 0.711 nan 8.190 nan 0.000 0.434 969 R N 2.357 122.708 120.500 -0.249 0.000 2.711 969 R HA 0.789 5.130 4.340 0.001 0.000 0.284 969 R C -1.301 174.848 176.300 -0.252 0.000 0.968 969 R CA -0.172 55.605 56.100 -0.537 0.000 0.924 969 R CB 2.243 32.063 30.300 -0.799 0.000 1.162 969 R HN 0.817 nan 8.270 nan 0.000 0.465 970 T N 1.450 115.889 114.554 -0.192 0.000 2.916 970 T HA 0.295 4.645 4.350 0.001 0.000 0.305 970 T C -1.011 173.657 174.700 -0.053 0.000 1.119 970 T CA -0.494 61.578 62.100 -0.046 0.000 1.008 970 T CB 1.922 70.829 68.868 0.065 0.000 1.129 970 T HN 0.466 nan 8.240 nan 0.000 0.480 971 T N 3.049 117.571 114.554 -0.054 0.000 2.767 971 T HA 0.454 4.804 4.350 0.001 0.000 0.284 971 T C -0.321 174.315 174.700 -0.107 0.000 0.973 971 T CA -0.608 61.434 62.100 -0.098 0.000 0.996 971 T CB 0.565 69.417 68.868 -0.027 0.000 0.927 971 T HN 0.325 nan 8.240 nan 0.000 0.456 972 K N 3.419 123.728 120.400 -0.152 0.000 2.274 972 K HA 0.557 4.877 4.320 0.001 0.000 0.262 972 K C -0.484 176.040 176.600 -0.127 0.000 0.961 972 K CA -0.537 55.669 56.287 -0.136 0.000 0.833 972 K CB 1.650 34.053 32.500 -0.162 0.000 1.102 972 K HN 0.505 nan 8.250 nan 0.000 0.436 973 I N 4.555 125.078 120.570 -0.078 0.000 2.498 973 I HA 0.302 4.473 4.170 0.001 0.000 0.301 973 I C -1.857 174.258 176.117 -0.005 0.000 0.984 973 I CA -2.557 58.723 61.300 -0.034 0.000 1.204 973 I CB 1.450 39.445 38.000 -0.008 0.000 1.362 973 I HN 0.398 nan 8.210 nan 0.000 0.471 974 P HA 0.025 nan 4.420 nan 0.000 0.266 974 P C -1.190 176.146 177.300 0.059 0.000 1.195 974 P CA 0.054 63.221 63.100 0.113 0.000 0.768 974 P CB 1.154 32.992 31.700 0.229 0.000 0.838 975 Q N 1.568 121.386 119.800 0.030 0.000 2.544 975 Q HA 0.269 4.609 4.340 0.001 0.000 0.291 975 Q C 1.192 177.191 176.000 -0.002 0.000 1.068 975 Q CA -0.874 54.929 55.803 0.000 0.000 0.785 975 Q CB 1.784 30.502 28.738 -0.034 0.000 1.481 975 Q HN 0.127 nan 8.270 nan 0.000 0.430 976 I N 0.792 121.355 120.570 -0.012 0.000 2.479 976 I HA -0.211 3.959 4.170 0.001 0.000 0.258 976 I C 1.424 177.528 176.117 -0.022 0.000 1.165 976 I CA 2.200 63.494 61.300 -0.011 0.000 1.422 976 I CB -0.963 37.025 38.000 -0.019 0.000 1.087 976 I HN 0.808 nan 8.210 nan 0.000 0.441 977 G N -0.700 108.069 108.800 -0.051 0.000 2.939 977 G HA2 0.008 3.969 3.960 0.001 0.000 0.216 977 G HA3 0.008 3.969 3.960 0.001 0.000 0.216 977 G C 0.238 175.060 174.900 -0.129 0.000 1.125 977 G CA -0.212 44.843 45.100 -0.075 0.000 0.766 977 G HN 0.262 nan 8.290 nan 0.000 0.541 978 D N 0.576 120.872 120.400 -0.173 0.000 2.364 978 D HA 0.278 4.918 4.640 0.001 0.000 0.236 978 D C 0.371 176.357 176.300 -0.524 0.000 1.221 978 D CA 0.464 54.264 54.000 -0.333 0.000 0.891 978 D CB 0.956 41.538 40.800 -0.364 0.000 1.190 978 D HN 0.025 nan 8.370 nan 0.000 0.449 979 K N 0.136 120.122 120.400 -0.690 0.000 2.110 979 K HA 0.583 4.904 4.320 0.001 0.000 0.263 979 K C -1.198 174.722 176.600 -1.133 0.000 0.975 979 K CA -0.498 55.399 56.287 -0.650 0.000 0.895 979 K CB 0.681 32.978 32.500 -0.339 0.000 1.060 979 K HN 0.315 nan 8.250 nan 0.000 0.448 980 F N 0.916 120.782 119.950 -0.139 0.000 2.628 980 F HA 0.545 5.073 4.527 0.001 0.000 0.309 980 F C -0.710 175.093 175.800 0.005 0.000 1.108 980 F CA -0.906 56.995 58.000 -0.165 0.000 0.971 980 F CB 2.418 41.217 39.000 -0.336 0.000 1.279 980 F HN 0.537 nan 8.300 nan 0.000 0.441 981 A N 1.508 124.532 122.820 0.341 0.000 2.520 981 A HA 0.711 5.032 4.320 0.001 0.000 0.298 981 A C -0.377 177.406 177.584 0.331 0.000 1.051 981 A CA -0.306 51.944 52.037 0.354 0.000 0.690 981 A CB 1.573 20.675 19.000 0.169 0.000 1.281 981 A HN 0.868 nan 8.150 nan 0.000 0.402 982 S N 1.578 117.366 115.700 0.146 0.000 2.484 982 S HA 0.357 4.828 4.470 0.001 0.000 0.256 982 S C 0.480 175.024 174.600 -0.094 0.000 1.223 982 S CA -0.054 57.943 58.200 -0.340 0.000 1.002 982 S CB 0.179 63.147 63.200 -0.386 0.000 1.043 982 S HN 0.640 nan 8.310 nan 0.000 0.517 983 R N 0.197 120.592 120.500 -0.174 0.000 2.694 983 R HA 0.345 4.686 4.340 0.001 0.000 0.334 983 R C -0.259 175.684 176.300 -0.595 0.000 1.143 983 R CA -0.149 55.753 56.100 -0.330 0.000 1.073 983 R CB -0.055 30.028 30.300 -0.362 0.000 1.366 983 R HN 0.604 nan 8.270 nan 0.000 0.577 984 H N -0.836 118.281 119.070 0.079 0.000 3.038 984 H HA 0.169 4.725 4.556 0.001 0.000 0.238 984 H C 0.559 175.926 175.328 0.065 0.000 1.246 984 H CA 0.085 56.179 56.048 0.077 0.000 0.966 984 H CB 1.377 31.207 29.762 0.113 0.000 2.394 984 H HN 0.428 nan 8.280 nan 0.000 0.633 985 G N 2.162 111.059 108.800 0.162 0.000 2.272 985 G HA2 -0.303 3.657 3.960 0.001 0.000 0.280 985 G HA3 -0.303 3.657 3.960 0.001 0.000 0.280 985 G C 0.322 175.329 174.900 0.178 0.000 1.067 985 G CA 0.174 45.387 45.100 0.188 0.000 0.902 985 G HN 0.333 nan 8.290 nan 0.000 0.500 986 Q N 0.156 120.065 119.800 0.182 0.000 2.341 986 Q HA 0.243 4.583 4.340 0.001 0.000 0.325 986 Q C 1.138 177.255 176.000 0.194 0.000 0.920 986 Q CA -0.213 55.697 55.803 0.178 0.000 1.065 986 Q CB 0.125 28.988 28.738 0.208 0.000 1.218 986 Q HN 0.777 nan 8.270 nan 0.000 0.434 987 K N -1.019 119.473 120.400 0.154 0.000 2.489 987 K HA 0.423 4.744 4.320 0.001 0.000 0.278 987 K C 0.151 176.810 176.600 0.099 0.000 1.000 987 K CA 0.378 56.737 56.287 0.120 0.000 1.012 987 K CB 0.597 33.137 32.500 0.067 0.000 0.903 987 K HN 0.189 nan 8.250 nan 0.000 0.485 988 G N 1.088 109.940 108.800 0.087 0.000 2.682 988 G HA2 0.526 4.486 3.960 0.001 0.000 0.290 988 G HA3 0.526 4.486 3.960 0.001 0.000 0.290 988 G C -1.287 173.626 174.900 0.020 0.000 1.425 988 G CA -0.725 44.411 45.100 0.059 0.000 0.807 988 G HN 0.769 nan 8.290 nan 0.000 0.482 989 T N -1.568 112.990 114.554 0.007 0.000 2.916 989 T HA 0.686 5.036 4.350 0.001 0.000 0.292 989 T C 0.286 175.004 174.700 0.029 0.000 1.055 989 T CA -0.815 61.270 62.100 -0.026 0.000 1.009 989 T CB 1.422 70.254 68.868 -0.060 0.000 1.118 989 T HN 0.490 nan 8.240 nan 0.000 0.497 990 I N 1.275 121.868 120.570 0.038 0.000 2.993 990 I HA 0.323 4.493 4.170 0.001 0.000 0.286 990 I C 1.488 177.637 176.117 0.054 0.000 1.215 990 I CA 0.373 61.718 61.300 0.074 0.000 1.393 990 I CB 0.428 38.475 38.000 0.079 0.000 1.371 990 I HN 1.110 nan 8.210 nan 0.000 0.602 991 G N 3.975 112.825 108.800 0.082 0.000 3.102 991 G HA2 0.399 4.360 3.960 0.001 0.000 0.204 991 G HA3 0.399 4.360 3.960 0.001 0.000 0.204 991 G C -0.199 174.788 174.900 0.145 0.000 1.155 991 G CA 0.273 45.443 45.100 0.116 0.000 0.931 991 G HN 0.489 nan 8.290 nan 0.000 0.691 992 I N 0.755 121.359 120.570 0.056 0.000 2.614 992 I HA 0.429 4.600 4.170 0.001 0.000 0.300 992 I C -1.640 174.402 176.117 -0.125 0.000 1.825 992 I CA -0.210 61.023 61.300 -0.112 0.000 0.951 992 I CB 1.787 39.604 38.000 -0.304 0.000 1.487 992 I HN 0.108 nan 8.210 nan 0.000 0.581 993 T N 2.415 116.832 114.554 -0.228 0.000 2.879 993 T HA 0.755 5.106 4.350 0.001 0.000 0.290 993 T C -1.048 173.539 174.700 -0.189 0.000 0.993 993 T CA -0.525 61.513 62.100 -0.104 0.000 0.975 993 T CB 0.964 69.810 68.868 -0.036 0.000 0.981 993 T HN 0.435 nan 8.240 nan 0.000 0.439 994 Y N 0.672 120.982 120.300 0.017 0.000 2.631 994 Y HA 0.744 5.294 4.550 0.001 0.000 0.328 994 Y C 1.021 176.946 175.900 0.042 0.000 1.118 994 Y CA -1.446 56.675 58.100 0.035 0.000 1.206 994 Y CB 1.626 40.133 38.460 0.079 0.000 1.337 994 Y HN 0.535 nan 8.280 nan 0.000 0.515 995 R N -0.346 120.299 120.500 0.242 0.000 2.700 995 R HA 0.431 4.771 4.340 0.001 0.000 0.253 995 R C 1.120 177.501 176.300 0.136 0.000 1.091 995 R CA -0.794 55.392 56.100 0.143 0.000 1.104 995 R CB 0.856 31.215 30.300 0.099 0.000 1.202 995 R HN 0.653 nan 8.270 nan 0.000 0.532 996 R N 0.978 121.532 120.500 0.089 0.000 2.113 996 R HA -0.246 4.095 4.340 0.001 0.000 0.244 996 R C 1.661 178.004 176.300 0.072 0.000 1.142 996 R CA 2.192 58.335 56.100 0.072 0.000 0.953 996 R CB -0.247 30.076 30.300 0.037 0.000 0.860 996 R HN 0.567 nan 8.270 nan 0.000 0.438 997 E N 0.547 120.784 120.200 0.062 0.000 2.097 997 E HA -0.206 4.144 4.350 0.001 0.000 0.196 997 E C 1.501 178.184 176.600 0.137 0.000 1.000 997 E CA 1.650 58.087 56.400 0.062 0.000 0.804 997 E CB -0.239 29.497 29.700 0.061 0.000 0.740 997 E HN 0.368 nan 8.360 nan 0.000 0.454 998 D N -0.366 120.140 120.400 0.177 0.000 2.194 998 D HA 0.003 4.644 4.640 0.001 0.000 0.204 998 D C 0.669 177.048 176.300 0.132 0.000 0.964 998 D CA 0.250 54.376 54.000 0.210 0.000 0.846 998 D CB -0.099 40.870 40.800 0.282 0.000 0.962 998 D HN 0.151 nan 8.370 nan 0.000 0.490 999 M N 2.027 121.698 119.600 0.117 0.000 2.250 999 M HA 0.102 4.583 4.480 0.001 0.000 0.325 999 M C -2.302 174.051 176.300 0.088 0.000 1.084 999 M CA -1.296 54.036 55.300 0.053 0.000 1.161 999 M CB 0.611 33.250 32.600 0.065 0.000 1.481 999 M HN -0.205 nan 8.290 nan 0.000 0.449 1000 P HA 0.275 nan 4.420 nan 0.000 0.277 1000 P C -1.525 175.863 177.300 0.146 0.000 1.240 1000 P CA -0.138 62.902 63.100 -0.101 0.000 0.798 1000 P CB 0.309 31.677 31.700 -0.552 0.000 0.979 1001 F N -1.777 118.201 119.950 0.048 0.000 2.613 1001 F HA 0.670 5.197 4.527 0.001 0.000 0.314 1001 F C -0.487 175.383 175.800 0.117 0.000 1.075 1001 F CA -1.176 56.866 58.000 0.069 0.000 0.945 1001 F CB 1.426 40.463 39.000 0.062 0.000 1.310 1001 F HN 0.270 nan 8.300 nan 0.000 0.467 1002 T N 0.901 115.514 114.554 0.098 0.000 2.829 1002 T HA 0.540 4.890 4.350 0.001 0.000 0.282 1002 T C 1.128 175.963 174.700 0.225 0.000 0.990 1002 T CA -0.063 62.054 62.100 0.029 0.000 1.028 1002 T CB 1.400 70.151 68.868 -0.195 0.000 0.951 1002 T HN 1.200 nan 8.240 nan 0.000 0.460 1003 A N 3.449 126.444 122.820 0.292 0.000 2.023 1003 A HA -0.166 4.155 4.320 0.001 0.000 0.223 1003 A C 2.165 179.837 177.584 0.147 0.000 1.180 1003 A CA 2.067 54.251 52.037 0.245 0.000 0.659 1003 A CB -0.872 18.263 19.000 0.225 0.000 0.817 1003 A HN 0.963 nan 8.150 nan 0.000 0.466 1004 E N -2.071 118.197 120.200 0.114 0.000 2.171 1004 E HA -0.113 4.237 4.350 0.001 0.000 0.197 1004 E C 1.651 178.291 176.600 0.066 0.000 0.997 1004 E CA 1.307 57.756 56.400 0.083 0.000 0.810 1004 E CB -0.268 29.487 29.700 0.091 0.000 0.738 1004 E HN 0.899 nan 8.360 nan 0.000 0.467 1005 G N 0.584 109.437 108.800 0.088 0.000 2.316 1005 G HA2 -0.235 3.726 3.960 0.001 0.000 0.203 1005 G HA3 -0.235 3.726 3.960 0.001 0.000 0.203 1005 G C 0.575 175.511 174.900 0.060 0.000 0.999 1005 G CA 0.097 45.237 45.100 0.066 0.000 0.649 1005 G HN 0.248 nan 8.290 nan 0.000 0.489 1006 I N 0.414 120.998 120.570 0.022 0.000 3.045 1006 I HA 0.559 4.729 4.170 0.001 0.000 0.288 1006 I C 0.842 177.001 176.117 0.070 0.000 1.238 1006 I CA -0.482 60.822 61.300 0.005 0.000 1.396 1006 I CB 0.707 38.637 38.000 -0.117 0.000 1.355 1006 I HN 0.174 nan 8.210 nan 0.000 0.601 1007 V N 3.892 123.912 119.914 0.178 0.000 3.202 1007 V HA 0.665 4.786 4.120 0.001 0.000 0.306 1007 V C -2.547 173.770 176.094 0.371 0.000 1.283 1007 V CA -1.449 61.017 62.300 0.277 0.000 1.065 1007 V CB 2.817 34.741 31.823 0.168 0.000 1.079 1007 V HN 0.877 nan 8.190 nan 0.000 0.448 1008 P HA 0.539 nan 4.420 nan 0.000 0.287 1008 P C -0.950 176.332 177.300 -0.031 0.000 1.292 1008 P CA -0.283 62.807 63.100 -0.016 0.000 0.879 1008 P CB 2.090 33.594 31.700 -0.327 0.000 1.214 1009 D N -0.486 119.871 120.400 -0.072 0.000 2.324 1009 D HA 0.152 4.792 4.640 0.001 0.000 0.212 1009 D C 0.343 176.596 176.300 -0.078 0.000 0.984 1009 D CA 0.982 54.953 54.000 -0.047 0.000 0.885 1009 D CB 0.297 41.072 40.800 -0.043 0.000 0.996 1009 D HN 0.121 nan 8.370 nan 0.000 0.505 1010 L N 0.629 121.775 121.223 -0.129 0.000 2.354 1010 L HA 0.394 4.734 4.340 0.001 0.000 0.264 1010 L C -0.765 176.023 176.870 -0.136 0.000 1.008 1010 L CA -0.542 54.208 54.840 -0.150 0.000 0.819 1010 L CB 2.616 44.541 42.059 -0.223 0.000 1.339 1010 L HN -0.144 nan 8.230 nan 0.000 0.420 1011 I N 4.995 125.518 120.570 -0.079 0.000 2.926 1011 I HA 0.192 4.362 4.170 0.001 0.000 0.295 1011 I C -0.167 175.952 176.117 0.002 0.000 1.463 1011 I CA -0.450 60.817 61.300 -0.055 0.000 0.892 1011 I CB 0.638 38.633 38.000 -0.008 0.000 1.874 1011 I HN 0.390 nan 8.210 nan 0.000 0.620 1012 I N 0.222 120.798 120.570 0.010 0.000 2.836 1012 I HA 0.260 4.431 4.170 0.001 0.000 0.285 1012 I C 0.233 176.382 176.117 0.053 0.000 1.174 1012 I CA 0.367 61.700 61.300 0.054 0.000 1.405 1012 I CB 0.647 38.713 38.000 0.109 0.000 1.385 1012 I HN 0.336 nan 8.210 nan 0.000 0.594 1013 N N 6.777 125.517 118.700 0.067 0.000 2.529 1013 N HA 0.217 4.957 4.740 0.001 0.000 0.278 1013 N C -1.794 173.732 175.510 0.027 0.000 1.146 1013 N CA -1.477 51.615 53.050 0.069 0.000 0.980 1013 N CB 1.574 40.134 38.487 0.121 0.000 1.124 1013 N HN 0.448 nan 8.380 nan 0.000 0.458 1014 P HA -0.191 nan 4.420 nan 0.000 0.216 1014 P C 0.942 178.158 177.300 -0.140 0.000 1.153 1014 P CA 1.542 64.563 63.100 -0.131 0.000 0.858 1014 P CB -0.007 31.557 31.700 -0.227 0.000 0.789 1015 H N 0.602 119.666 119.070 -0.010 0.000 2.390 1015 H HA -0.035 4.522 4.556 0.001 0.000 0.298 1015 H C 1.791 177.104 175.328 -0.025 0.000 1.106 1015 H CA 1.525 57.564 56.048 -0.015 0.000 1.297 1015 H CB -0.831 28.927 29.762 -0.005 0.000 1.375 1015 H HN 0.161 nan 8.280 nan 0.000 0.509 1016 A N 0.951 123.823 122.820 0.086 0.000 2.253 1016 A HA -0.020 4.301 4.320 0.001 0.000 0.203 1016 A C 1.776 179.339 177.584 -0.034 0.000 1.272 1016 A CA 0.514 52.569 52.037 0.029 0.000 0.847 1016 A CB -0.588 18.428 19.000 0.027 0.000 0.772 1016 A HN 0.185 nan 8.150 nan 0.000 0.494 1017 I N -1.123 119.420 120.570 -0.046 0.000 3.744 1017 I HA 0.089 4.260 4.170 0.001 0.000 0.240 1017 I C -0.608 175.472 176.117 -0.062 0.000 1.096 1017 I CA -0.208 61.038 61.300 -0.090 0.000 1.558 1017 I CB -1.979 35.945 38.000 -0.126 0.000 1.531 1017 I HN 0.004 nan 8.210 nan 0.000 0.459 1018 P HA -0.265 nan 4.420 nan 0.000 0.221 1018 P C 1.831 179.118 177.300 -0.022 0.000 1.107 1018 P CA 3.174 66.257 63.100 -0.029 0.000 0.986 1018 P CB -0.134 31.564 31.700 -0.004 0.000 0.774 1019 S N -2.244 113.451 115.700 -0.009 0.000 2.489 1019 S HA -0.026 4.444 4.470 0.001 0.000 0.228 1019 S C 1.786 176.373 174.600 -0.023 0.000 0.995 1019 S CA 0.415 58.608 58.200 -0.011 0.000 0.934 1019 S CB -0.591 62.609 63.200 -0.000 0.000 0.771 1019 S HN 0.000 nan 8.310 nan 0.000 0.522 1020 R N 0.833 121.314 120.500 -0.031 0.000 2.153 1020 R HA 0.253 4.593 4.340 0.001 0.000 0.218 1020 R C 0.986 177.254 176.300 -0.053 0.000 1.072 1020 R CA 0.574 56.647 56.100 -0.045 0.000 0.990 1020 R CB -0.943 29.328 30.300 -0.048 0.000 0.889 1020 R HN 0.511 nan 8.270 nan 0.000 0.452 1021 M N 0.986 120.555 119.600 -0.050 0.000 2.333 1021 M HA -0.182 4.299 4.480 0.001 0.000 0.199 1021 M C -0.068 176.205 176.300 -0.045 0.000 0.376 1021 M CA 1.057 56.330 55.300 -0.046 0.000 0.440 1021 M CB -1.691 30.890 32.600 -0.031 0.000 1.506 1021 M HN 0.047 nan 8.290 nan 0.000 0.889 1022 T N -0.455 114.059 114.554 -0.067 0.000 2.811 1022 T HA 0.489 4.839 4.350 0.001 0.000 0.309 1022 T C 0.820 175.452 174.700 -0.112 0.000 1.005 1022 T CA -0.570 61.489 62.100 -0.069 0.000 0.955 1022 T CB 0.655 69.482 68.868 -0.069 0.000 0.970 1022 T HN 0.190 nan 8.240 nan 0.000 0.496 1023 V N 5.138 125.010 119.914 -0.070 0.000 2.685 1023 V HA 0.123 4.244 4.120 0.001 0.000 0.244 1023 V C 2.912 178.940 176.094 -0.110 0.000 1.054 1023 V CA 1.281 63.527 62.300 -0.090 0.000 1.076 1023 V CB -1.093 30.694 31.823 -0.059 0.000 0.725 1023 V HN 0.931 nan 8.190 nan 0.000 0.467 1024 A N 0.527 123.312 122.820 -0.059 0.000 1.929 1024 A HA -0.404 3.916 4.320 0.001 0.000 0.221 1024 A C 2.213 179.752 177.584 -0.075 0.000 1.211 1024 A CA 2.673 54.716 52.037 0.009 0.000 0.657 1024 A CB -1.161 18.001 19.000 0.270 0.000 0.827 1024 A HN 0.727 nan 8.150 nan 0.000 0.462 1025 H N 0.120 118.764 119.070 -0.709 0.000 2.321 1025 H HA -0.166 4.391 4.556 0.001 0.000 0.295 1025 H C 1.925 177.193 175.328 -0.099 0.000 1.102 1025 H CA 2.254 57.925 56.048 -0.629 0.000 1.266 1025 H CB -0.501 28.874 29.762 -0.644 0.000 1.363 1025 H HN 0.456 nan 8.280 nan 0.000 0.492 1026 L N 0.157 121.474 121.223 0.156 0.000 2.083 1026 L HA -0.200 4.140 4.340 0.001 0.000 0.209 1026 L C 2.802 179.745 176.870 0.122 0.000 1.083 1026 L CA 0.695 55.626 54.840 0.151 0.000 0.752 1026 L CB -0.273 41.718 42.059 -0.113 0.000 0.899 1026 L HN 0.262 nan 8.230 nan 0.000 0.433 1027 I N -0.124 120.436 120.570 -0.016 0.000 2.202 1027 I HA -0.285 3.886 4.170 0.001 0.000 0.242 1027 I C 2.513 178.712 176.117 0.138 0.000 1.091 1027 I CA 1.441 62.682 61.300 -0.098 0.000 1.368 1027 I CB -1.232 36.427 38.000 -0.570 0.000 1.058 1027 I HN 0.432 nan 8.210 nan 0.000 0.410 1028 E N 0.409 120.766 120.200 0.261 0.000 2.118 1028 E HA -0.289 4.061 4.350 0.001 0.000 0.195 1028 E C 2.495 179.163 176.600 0.114 0.000 0.992 1028 E CA 1.869 58.418 56.400 0.249 0.000 0.804 1028 E CB -0.084 29.726 29.700 0.183 0.000 0.741 1028 E HN 0.515 nan 8.360 nan 0.000 0.458 1029 C N 0.097 119.447 119.300 0.084 0.000 2.413 1029 C HA -0.155 4.305 4.460 0.001 0.000 0.278 1029 C C 2.615 177.626 174.990 0.036 0.000 1.224 1029 C CA 1.014 60.045 59.018 0.022 0.000 1.732 1029 C CB -1.220 26.558 27.740 0.063 0.000 2.050 1029 C HN 0.603 nan 8.230 nan 0.000 0.463 1030 L N 0.723 122.038 121.223 0.153 0.000 1.971 1030 L HA -0.091 4.250 4.340 0.001 0.000 0.215 1030 L C 2.379 179.301 176.870 0.086 0.000 1.072 1030 L CA 2.274 57.192 54.840 0.130 0.000 0.758 1030 L CB -1.311 40.855 42.059 0.179 0.000 0.889 1030 L HN 0.492 nan 8.230 nan 0.000 0.433 1031 L N -1.057 120.235 121.223 0.115 0.000 1.978 1031 L HA -0.285 4.055 4.340 0.001 0.000 0.218 1031 L C 2.535 179.448 176.870 0.071 0.000 1.075 1031 L CA 2.404 57.320 54.840 0.127 0.000 0.767 1031 L CB -1.146 41.060 42.059 0.245 0.000 0.890 1031 L HN 0.323 nan 8.230 nan 0.000 0.434 1032 S N -0.581 115.149 115.700 0.050 0.000 2.359 1032 S HA -0.282 4.188 4.470 0.001 0.000 0.224 1032 S C 1.952 176.538 174.600 -0.023 0.000 1.035 1032 S CA 1.689 59.891 58.200 0.004 0.000 1.018 1032 S CB -0.464 62.732 63.200 -0.007 0.000 0.876 1032 S HN 0.494 nan 8.310 nan 0.000 0.448 1033 K N 0.742 121.120 120.400 -0.037 0.000 2.228 1033 K HA -0.148 4.173 4.320 0.001 0.000 0.205 1033 K C 1.748 178.298 176.600 -0.083 0.000 1.045 1033 K CA 1.201 57.440 56.287 -0.080 0.000 0.931 1033 K CB -0.160 32.281 32.500 -0.098 0.000 0.727 1033 K HN 0.177 nan 8.250 nan 0.000 0.458 1034 V N 0.451 120.343 119.914 -0.036 0.000 2.278 1034 V HA -0.119 4.002 4.120 0.001 0.000 0.238 1034 V C 2.146 178.205 176.094 -0.059 0.000 1.039 1034 V CA 1.703 63.979 62.300 -0.039 0.000 1.017 1034 V CB -0.520 31.326 31.823 0.039 0.000 0.657 1034 V HN 0.489 nan 8.190 nan 0.000 0.462 1035 A N -0.111 122.700 122.820 -0.015 0.000 2.159 1035 A HA -0.227 4.093 4.320 0.001 0.000 0.222 1035 A C 2.211 179.773 177.584 -0.038 0.000 1.163 1035 A CA 2.246 54.274 52.037 -0.015 0.000 0.664 1035 A CB -0.684 18.311 19.000 -0.008 0.000 0.803 1035 A HN 0.664 nan 8.150 nan 0.000 0.470 1036 A N -0.718 122.067 122.820 -0.059 0.000 1.930 1036 A HA 0.184 4.504 4.320 0.001 0.000 0.215 1036 A C 1.975 179.515 177.584 -0.072 0.000 1.176 1036 A CA 1.276 53.276 52.037 -0.062 0.000 0.632 1036 A CB -0.338 18.620 19.000 -0.069 0.000 0.819 1036 A HN 0.487 nan 8.150 nan 0.000 0.445 1037 L N 0.004 121.150 121.223 -0.128 0.000 2.307 1037 L HA 0.010 4.351 4.340 0.001 0.000 0.211 1037 L C 2.350 179.166 176.870 -0.090 0.000 1.099 1037 L CA 1.280 56.019 54.840 -0.167 0.000 0.816 1037 L CB -0.061 41.736 42.059 -0.436 0.000 0.952 1037 L HN 0.435 nan 8.230 nan 0.000 0.455 1038 S N -1.211 114.457 115.700 -0.052 0.000 2.540 1038 S HA 0.294 4.765 4.470 0.001 0.000 0.218 1038 S C 1.733 176.354 174.600 0.034 0.000 0.977 1038 S CA 0.294 58.527 58.200 0.056 0.000 0.918 1038 S CB 0.514 63.783 63.200 0.114 0.000 0.806 1038 S HN 0.450 nan 8.310 nan 0.000 0.496 1039 G N 2.386 111.189 108.800 0.005 0.000 2.353 1039 G HA2 -0.326 3.635 3.960 0.001 0.000 0.258 1039 G HA3 -0.326 3.635 3.960 0.001 0.000 0.258 1039 G C 0.092 174.991 174.900 -0.002 0.000 1.013 1039 G CA 0.332 45.432 45.100 -0.000 0.000 0.622 1039 G HN 0.571 nan 8.290 nan 0.000 0.535 1040 N N 2.007 120.714 118.700 0.011 0.000 2.423 1040 N HA 0.154 4.894 4.740 0.001 0.000 0.275 1040 N C 0.396 175.903 175.510 -0.005 0.000 1.283 1040 N CA 0.355 53.411 53.050 0.009 0.000 0.932 1040 N CB 0.531 39.034 38.487 0.028 0.000 1.185 1040 N HN 0.673 nan 8.380 nan 0.000 0.483 1041 E N 1.501 121.689 120.200 -0.021 0.000 2.562 1041 E HA -0.026 4.324 4.350 0.001 0.000 0.241 1041 E C 0.448 177.028 176.600 -0.034 0.000 1.136 1041 E CA -0.342 56.035 56.400 -0.039 0.000 0.952 1041 E CB 0.113 29.780 29.700 -0.055 0.000 0.975 1041 E HN 0.492 nan 8.360 nan 0.000 0.494 1042 G N 4.362 113.147 108.800 -0.025 0.000 2.305 1042 G HA2 -0.083 3.877 3.960 0.001 0.000 0.243 1042 G HA3 -0.083 3.877 3.960 0.001 0.000 0.243 1042 G C -0.389 174.489 174.900 -0.035 0.000 1.288 1042 G CA -0.378 44.719 45.100 -0.005 0.000 0.901 1042 G HN 0.614 nan 8.290 nan 0.000 0.516 1043 D N 1.008 121.401 120.400 -0.011 0.000 2.359 1043 D HA 0.497 5.138 4.640 0.001 0.000 0.230 1043 D C 0.528 176.785 176.300 -0.072 0.000 1.118 1043 D CA -0.254 53.715 54.000 -0.052 0.000 0.844 1043 D CB 1.008 41.798 40.800 -0.017 0.000 1.059 1043 D HN 0.378 nan 8.370 nan 0.000 0.493 1044 A N 3.039 125.673 122.820 -0.309 0.000 2.793 1044 A HA 0.328 4.648 4.320 0.001 0.000 0.301 1044 A C 0.504 177.648 177.584 -0.733 0.000 1.172 1044 A CA -0.515 50.972 52.037 -0.918 0.000 0.973 1044 A CB 0.047 18.177 19.000 -1.449 0.000 1.164 1044 A HN 0.440 nan 8.150 nan 0.000 0.542 1045 S N 1.530 117.082 115.700 -0.246 0.000 2.589 1045 S HA 0.294 4.764 4.470 0.001 0.000 0.265 1045 S C -1.504 173.103 174.600 0.011 0.000 1.342 1045 S CA -0.708 57.437 58.200 -0.092 0.000 1.005 1045 S CB 0.408 63.632 63.200 0.040 0.000 0.909 1045 S HN 0.373 nan 8.310 nan 0.000 0.555 1046 P HA -0.132 nan 4.420 nan 0.000 0.222 1046 P C -0.356 176.903 177.300 -0.069 0.000 1.242 1046 P CA 0.847 63.821 63.100 -0.210 0.000 0.833 1046 P CB -0.037 31.489 31.700 -0.292 0.000 0.639 1047 F N -0.820 119.229 119.950 0.165 0.000 2.494 1047 F HA 0.353 4.881 4.527 0.001 0.000 0.351 1047 F C 1.176 177.089 175.800 0.188 0.000 1.205 1047 F CA -0.367 57.717 58.000 0.140 0.000 1.125 1047 F CB -1.617 37.420 39.000 0.062 0.000 1.268 1047 F HN 0.038 nan 8.300 nan 0.000 0.593 1048 T N -2.459 112.322 114.554 0.377 0.000 2.676 1048 T HA 0.359 4.710 4.350 0.001 0.000 0.269 1048 T C 0.039 174.898 174.700 0.264 0.000 0.952 1048 T CA -0.907 61.394 62.100 0.336 0.000 1.040 1048 T CB 1.591 70.660 68.868 0.335 0.000 1.352 1048 T HN 0.340 nan 8.240 nan 0.000 0.554 1049 D N 0.844 121.379 120.400 0.225 0.000 2.706 1049 D HA 0.268 4.908 4.640 0.001 0.000 0.236 1049 D C -0.056 176.343 176.300 0.164 0.000 1.231 1049 D CA -0.076 54.030 54.000 0.176 0.000 0.828 1049 D CB 0.100 40.987 40.800 0.146 0.000 1.015 1049 D HN 0.337 nan 8.370 nan 0.000 0.484 1050 I N 0.708 121.395 120.570 0.196 0.000 2.577 1050 I HA 0.271 4.442 4.170 0.001 0.000 0.300 1050 I C 0.934 177.124 176.117 0.121 0.000 0.990 1050 I CA -0.035 61.368 61.300 0.172 0.000 1.283 1050 I CB 1.679 39.826 38.000 0.245 0.000 1.411 1050 I HN -0.203 nan 8.210 nan 0.000 0.515 1051 T N 2.971 117.565 114.554 0.067 0.000 2.841 1051 T HA 0.350 4.700 4.350 0.001 0.000 0.296 1051 T C 1.080 175.759 174.700 -0.035 0.000 1.166 1051 T CA -0.482 61.629 62.100 0.017 0.000 1.007 1051 T CB 2.251 71.143 68.868 0.040 0.000 1.253 1051 T HN 0.220 nan 8.240 nan 0.000 0.511 1052 V N 1.083 120.958 119.914 -0.065 0.000 2.427 1052 V HA -0.092 4.028 4.120 0.001 0.000 0.248 1052 V C 2.518 178.606 176.094 -0.010 0.000 1.051 1052 V CA 1.612 63.869 62.300 -0.072 0.000 1.048 1052 V CB -0.426 31.351 31.823 -0.077 0.000 0.666 1052 V HN 0.761 nan 8.190 nan 0.000 0.456 1053 E N 0.627 120.831 120.200 0.006 0.000 2.077 1053 E HA -0.145 4.206 4.350 0.001 0.000 0.193 1053 E C 2.355 178.976 176.600 0.036 0.000 0.989 1053 E CA 1.391 57.806 56.400 0.024 0.000 0.800 1053 E CB -0.770 28.945 29.700 0.025 0.000 0.746 1053 E HN 0.587 nan 8.360 nan 0.000 0.452 1054 G N 1.453 110.276 108.800 0.039 0.000 2.529 1054 G HA2 -0.285 3.675 3.960 0.001 0.000 0.219 1054 G HA3 -0.285 3.675 3.960 0.001 0.000 0.219 1054 G C 1.674 176.610 174.900 0.061 0.000 1.177 1054 G CA 1.148 46.280 45.100 0.053 0.000 0.773 1054 G HN 0.180 nan 8.290 nan 0.000 0.573 1055 I N 1.175 121.778 120.570 0.056 0.000 2.113 1055 I HA -0.148 4.022 4.170 0.001 0.000 0.238 1055 I C 3.095 179.262 176.117 0.082 0.000 1.070 1055 I CA 1.602 62.945 61.300 0.071 0.000 1.332 1055 I CB -0.710 37.325 38.000 0.058 0.000 1.044 1055 I HN 0.116 nan 8.210 nan 0.000 0.402 1056 S N 0.318 116.061 115.700 0.072 0.000 2.378 1056 S HA -0.332 4.139 4.470 0.001 0.000 0.229 1056 S C 1.986 176.635 174.600 0.082 0.000 1.052 1056 S CA 1.884 60.133 58.200 0.082 0.000 1.084 1056 S CB -0.443 62.795 63.200 0.063 0.000 0.950 1056 S HN 0.383 nan 8.310 nan 0.000 0.440 1057 K N 0.707 121.146 120.400 0.066 0.000 2.044 1057 K HA -0.079 4.242 4.320 0.001 0.000 0.210 1057 K C 2.107 178.752 176.600 0.074 0.000 1.049 1057 K CA 1.324 57.646 56.287 0.059 0.000 0.927 1057 K CB -0.448 32.080 32.500 0.047 0.000 0.713 1057 K HN 0.298 nan 8.250 nan 0.000 0.443 1058 L N 0.549 121.827 121.223 0.092 0.000 2.083 1058 L HA -0.195 4.146 4.340 0.001 0.000 0.209 1058 L C 2.414 179.403 176.870 0.198 0.000 1.083 1058 L CA 0.602 55.517 54.840 0.126 0.000 0.752 1058 L CB -0.304 41.835 42.059 0.133 0.000 0.899 1058 L HN 0.188 nan 8.230 nan 0.000 0.433 1059 L N -0.217 121.113 121.223 0.178 0.000 2.217 1059 L HA -0.140 4.200 4.340 0.001 0.000 0.211 1059 L C 2.608 179.605 176.870 0.212 0.000 1.107 1059 L CA 1.322 56.293 54.840 0.219 0.000 0.783 1059 L CB -0.376 41.788 42.059 0.174 0.000 0.919 1059 L HN 0.067 nan 8.230 nan 0.000 0.442 1060 R N 0.255 120.836 120.500 0.135 0.000 2.115 1060 R HA -0.075 4.265 4.340 0.001 0.000 0.226 1060 R C 1.944 178.277 176.300 0.056 0.000 1.100 1060 R CA 1.311 57.465 56.100 0.090 0.000 0.980 1060 R CB -0.429 29.905 30.300 0.056 0.000 0.875 1060 R HN 0.445 nan 8.270 nan 0.000 0.445 1061 E N -0.844 119.379 120.200 0.038 0.000 2.463 1061 E HA -0.166 4.185 4.350 0.001 0.000 0.201 1061 E C 0.738 177.244 176.600 -0.156 0.000 1.045 1061 E CA 0.575 56.940 56.400 -0.059 0.000 0.872 1061 E CB -0.001 29.649 29.700 -0.084 0.000 0.797 1061 E HN 0.493 nan 8.360 nan 0.000 0.538 1062 H N -2.042 117.044 119.070 0.028 0.000 2.874 1062 H HA 0.147 4.703 4.556 0.001 0.000 0.264 1062 H C 1.455 176.719 175.328 -0.106 0.000 1.007 1062 H CA 0.937 56.994 56.048 0.015 0.000 1.207 1062 H CB 1.666 31.497 29.762 0.116 0.000 1.487 1062 H HN 0.335 nan 8.280 nan 0.000 0.505 1063 G N 0.391 109.183 108.800 -0.013 0.000 2.376 1063 G HA2 -0.241 3.720 3.960 0.001 0.000 0.208 1063 G HA3 -0.241 3.720 3.960 0.001 0.000 0.208 1063 G C -0.195 174.594 174.900 -0.186 0.000 1.032 1063 G CA -0.248 44.751 45.100 -0.169 0.000 0.641 1063 G HN 0.299 nan 8.290 nan 0.000 0.503 1064 Y N 2.097 122.438 120.300 0.067 0.000 2.336 1064 Y HA 0.489 5.040 4.550 0.001 0.000 0.331 1064 Y C 1.073 177.010 175.900 0.062 0.000 1.211 1064 Y CA 0.045 58.174 58.100 0.048 0.000 1.346 1064 Y CB 0.546 39.027 38.460 0.036 0.000 1.271 1064 Y HN 0.471 nan 8.280 nan 0.000 0.538 1065 Q N 1.474 121.403 119.800 0.215 0.000 2.375 1065 Q HA -0.137 4.204 4.340 0.001 0.000 0.344 1065 Q C 0.884 176.987 176.000 0.171 0.000 1.169 1065 Q CA 0.828 56.723 55.803 0.154 0.000 1.035 1065 Q CB 0.575 29.413 28.738 0.167 0.000 1.222 1065 Q HN 0.740 nan 8.270 nan 0.000 0.412 1066 S N 2.751 118.522 115.700 0.117 0.000 2.660 1066 S HA 0.096 4.567 4.470 0.001 0.000 0.223 1066 S C 0.439 175.128 174.600 0.149 0.000 0.963 1066 S CA 0.085 58.356 58.200 0.119 0.000 0.932 1066 S CB 0.133 63.375 63.200 0.070 0.000 0.775 1066 S HN 0.645 nan 8.310 nan 0.000 0.531 1067 R N -0.360 120.274 120.500 0.222 0.000 2.549 1067 R HA 0.386 4.726 4.340 0.001 0.000 0.344 1067 R C 1.500 178.131 176.300 0.551 0.000 0.979 1067 R CA 0.474 56.775 56.100 0.335 0.000 1.140 1067 R CB 0.052 30.526 30.300 0.291 0.000 1.377 1067 R HN 0.507 nan 8.270 nan 0.000 0.541 1068 G N 0.899 109.963 108.800 0.441 0.000 2.475 1068 G HA2 -0.288 3.672 3.960 0.001 0.000 0.209 1068 G HA3 -0.288 3.672 3.960 0.001 0.000 0.209 1068 G C 0.251 175.341 174.900 0.315 0.000 1.127 1068 G CA -0.277 45.026 45.100 0.339 0.000 0.681 1068 G HN 0.107 nan 8.290 nan 0.000 0.517 1069 F N 2.158 122.248 119.950 0.233 0.000 2.689 1069 F HA 0.435 4.963 4.527 0.001 0.000 0.312 1069 F C 1.314 177.163 175.800 0.082 0.000 1.119 1069 F CA 1.211 59.307 58.000 0.160 0.000 1.329 1069 F CB 0.115 39.190 39.000 0.126 0.000 1.024 1069 F HN 0.485 nan 8.300 nan 0.000 0.643 1070 E N -1.484 118.864 120.200 0.247 0.000 2.432 1070 E HA 0.495 4.846 4.350 0.001 0.000 0.279 1070 E C -1.833 174.796 176.600 0.049 0.000 1.099 1070 E CA -0.873 55.589 56.400 0.104 0.000 0.859 1070 E CB 2.081 31.770 29.700 -0.018 0.000 1.402 1070 E HN 0.191 nan 8.360 nan 0.000 0.451 1071 V N 1.138 121.030 119.914 -0.037 0.000 2.667 1071 V HA 0.597 4.718 4.120 0.001 0.000 0.308 1071 V C -0.178 175.765 176.094 -0.252 0.000 1.048 1071 V CA -0.490 61.726 62.300 -0.140 0.000 0.928 1071 V CB 1.534 33.239 31.823 -0.196 0.000 1.004 1071 V HN 0.572 nan 8.190 nan 0.000 0.444 1072 M N 2.304 121.686 119.600 -0.363 0.000 2.658 1072 M HA 0.623 5.103 4.480 0.001 0.000 0.295 1072 M C -1.830 174.042 176.300 -0.715 0.000 1.248 1072 M CA -0.560 54.476 55.300 -0.440 0.000 0.843 1072 M CB 2.873 35.332 32.600 -0.236 0.000 1.749 1072 M HN 0.563 nan 8.290 nan 0.000 0.464 1073 Y N -0.101 119.773 120.300 -0.710 0.000 2.468 1073 Y HA 0.352 4.902 4.550 0.001 0.000 0.342 1073 Y C 0.163 175.820 175.900 -0.405 0.000 1.021 1073 Y CA -1.140 56.573 58.100 -0.646 0.000 1.079 1073 Y CB 0.962 38.832 38.460 -0.984 0.000 1.226 1073 Y HN 0.518 nan 8.280 nan 0.000 0.460 1074 N N 1.491 120.222 118.700 0.052 0.000 2.416 1074 N HA -0.018 4.723 4.740 0.001 0.000 0.265 1074 N C 1.136 176.808 175.510 0.271 0.000 1.195 1074 N CA 0.665 53.808 53.050 0.156 0.000 0.943 1074 N CB 1.346 39.901 38.487 0.114 0.000 1.115 1074 N HN 1.049 nan 8.380 nan 0.000 0.481 1075 G N 3.328 112.322 108.800 0.324 0.000 2.562 1075 G HA2 -0.295 3.665 3.960 0.001 0.000 0.223 1075 G HA3 -0.295 3.665 3.960 0.001 0.000 0.223 1075 G C 1.078 176.158 174.900 0.301 0.000 1.102 1075 G CA 0.990 46.300 45.100 0.350 0.000 0.742 1075 G HN 0.711 nan 8.290 nan 0.000 0.587 1076 H N 0.342 119.511 119.070 0.165 0.000 2.317 1076 H HA -0.001 4.556 4.556 0.001 0.000 0.304 1076 H C 2.973 178.361 175.328 0.101 0.000 1.067 1076 H CA 1.922 58.027 56.048 0.094 0.000 1.352 1076 H CB -0.814 28.972 29.762 0.040 0.000 1.398 1076 H HN 0.488 nan 8.280 nan 0.000 0.510 1077 T N -3.578 111.125 114.554 0.248 0.000 2.983 1077 T HA 0.293 4.643 4.350 0.001 0.000 0.250 1077 T C 1.833 176.647 174.700 0.190 0.000 1.037 1077 T CA 0.937 63.143 62.100 0.177 0.000 1.142 1077 T CB 0.013 68.967 68.868 0.142 0.000 0.876 1077 T HN 0.514 nan 8.240 nan 0.000 0.455 1078 G N 1.440 110.393 108.800 0.254 0.000 2.184 1078 G HA2 -0.206 3.755 3.960 0.001 0.000 0.206 1078 G HA3 -0.206 3.755 3.960 0.001 0.000 0.206 1078 G C 0.024 175.104 174.900 0.300 0.000 0.995 1078 G CA 0.081 45.380 45.100 0.331 0.000 0.651 1078 G HN 0.812 nan 8.290 nan 0.000 0.511 1079 K N 1.317 121.849 120.400 0.220 0.000 2.319 1079 K HA 0.440 4.760 4.320 0.001 0.000 0.265 1079 K C 0.895 177.603 176.600 0.181 0.000 1.000 1079 K CA -0.226 56.174 56.287 0.189 0.000 0.943 1079 K CB 0.331 32.900 32.500 0.114 0.000 0.950 1079 K HN 0.248 nan 8.250 nan 0.000 0.485 1080 K N 1.945 122.411 120.400 0.111 0.000 2.187 1080 K HA 0.148 4.469 4.320 0.001 0.000 0.247 1080 K C -0.320 176.203 176.600 -0.128 0.000 1.019 1080 K CA -0.239 55.945 56.287 -0.172 0.000 0.893 1080 K CB 0.371 32.742 32.500 -0.216 0.000 1.025 1080 K HN 0.421 nan 8.250 nan 0.000 0.500 1081 L N 2.648 123.746 121.223 -0.208 0.000 2.272 1081 L HA 0.147 4.487 4.340 0.001 0.000 0.289 1081 L C 1.224 178.044 176.870 -0.083 0.000 1.032 1081 L CA -0.563 54.214 54.840 -0.105 0.000 0.810 1081 L CB 1.287 43.283 42.059 -0.105 0.000 1.205 1081 L HN 0.715 nan 8.230 nan 0.000 0.422 1082 M N 3.328 122.905 119.600 -0.038 0.000 2.116 1082 M HA -0.168 4.312 4.480 0.001 0.000 0.255 1082 M C 0.762 177.050 176.300 -0.021 0.000 1.075 1082 M CA 1.749 57.034 55.300 -0.025 0.000 1.087 1082 M CB -0.125 32.473 32.600 -0.005 0.000 1.340 1082 M HN 0.665 nan 8.290 nan 0.000 0.402 1083 A N -1.057 121.758 122.820 -0.008 0.000 2.288 1083 A HA 0.679 5.000 4.320 0.001 0.000 0.328 1083 A C -0.589 177.008 177.584 0.023 0.000 1.123 1083 A CA -0.803 51.245 52.037 0.018 0.000 0.861 1083 A CB 0.722 19.745 19.000 0.038 0.000 1.272 1083 A HN 0.396 nan 8.150 nan 0.000 0.490 1084 Q N -0.661 119.194 119.800 0.091 0.000 2.241 1084 Q HA 0.705 5.045 4.340 0.001 0.000 0.262 1084 Q C -1.278 174.810 176.000 0.147 0.000 1.014 1084 Q CA -0.240 55.641 55.803 0.130 0.000 0.885 1084 Q CB 1.470 30.345 28.738 0.229 0.000 1.311 1084 Q HN 0.556 nan 8.270 nan 0.000 0.461 1085 I N 0.690 121.318 120.570 0.098 0.000 2.493 1085 I HA 0.266 4.436 4.170 0.001 0.000 0.298 1085 I C -0.584 175.525 176.117 -0.013 0.000 0.998 1085 I CA -0.622 60.698 61.300 0.033 0.000 1.137 1085 I CB 0.963 38.987 38.000 0.040 0.000 1.310 1085 I HN 0.531 nan 8.210 nan 0.000 0.445 1086 F N 6.461 126.219 119.950 -0.321 0.000 2.659 1086 F HA 0.381 4.909 4.527 0.001 0.000 0.360 1086 F C -0.005 175.719 175.800 -0.127 0.000 1.218 1086 F CA -0.695 57.059 58.000 -0.409 0.000 1.317 1086 F CB -0.565 38.102 39.000 -0.554 0.000 1.697 1086 F HN 0.226 nan 8.300 nan 0.000 0.637 1087 F N 2.265 121.958 119.950 -0.430 0.000 2.527 1087 F HA 0.481 5.008 4.527 0.001 0.000 0.316 1087 F C 0.961 176.417 175.800 -0.574 0.000 1.258 1087 F CA 1.151 58.909 58.000 -0.405 0.000 1.314 1087 F CB 0.545 39.396 39.000 -0.248 0.000 1.200 1087 F HN 0.539 nan 8.300 nan 0.000 0.577 1088 G N 2.610 111.332 108.800 -0.129 0.000 2.957 1088 G HA2 0.044 4.005 3.960 0.001 0.000 0.636 1088 G HA3 0.044 4.005 3.960 0.001 0.000 0.636 1088 G C -3.138 171.645 174.900 -0.194 0.000 1.401 1088 G CA -1.133 43.859 45.100 -0.180 0.000 0.941 1088 G HN 0.495 nan 8.290 nan 0.000 0.610 1089 P HA 0.305 nan 4.420 nan 0.000 0.267 1089 P C -0.058 177.215 177.300 -0.046 0.000 1.195 1089 P CA 0.673 63.742 63.100 -0.052 0.000 0.773 1089 P CB 0.762 32.446 31.700 -0.027 0.000 0.837 1090 T N 0.846 115.408 114.554 0.012 0.000 2.942 1090 T HA 0.165 4.516 4.350 0.001 0.000 0.327 1090 T C -1.182 173.579 174.700 0.102 0.000 1.360 1090 T CA -0.331 61.765 62.100 -0.008 0.000 1.055 1090 T CB 0.534 69.321 68.868 -0.135 0.000 1.261 1090 T HN 0.222 nan 8.240 nan 0.000 0.485 1091 Y N 2.070 122.311 120.300 -0.097 0.000 2.442 1091 Y HA 0.485 5.036 4.550 0.001 0.000 0.330 1091 Y C -0.948 174.893 175.900 -0.099 0.000 1.129 1091 Y CA -0.630 57.450 58.100 -0.032 0.000 1.365 1091 Y CB 0.252 38.698 38.460 -0.024 0.000 1.233 1091 Y HN 0.616 nan 8.280 nan 0.000 0.529 1092 Y N 3.875 124.100 120.300 -0.126 0.000 2.386 1092 Y HA 0.324 4.875 4.550 0.001 0.000 0.334 1092 Y C -0.533 175.328 175.900 -0.065 0.000 1.002 1092 Y CA -0.984 57.105 58.100 -0.018 0.000 1.068 1092 Y CB 1.628 40.170 38.460 0.136 0.000 1.203 1092 Y HN 0.468 nan 8.280 nan 0.000 0.443 1093 Q N 3.568 123.445 119.800 0.128 0.000 2.257 1093 Q HA 0.382 4.722 4.340 0.001 0.000 0.255 1093 Q C -0.567 175.525 176.000 0.153 0.000 0.920 1093 Q CA -0.891 54.963 55.803 0.085 0.000 0.927 1093 Q CB 1.905 30.665 28.738 0.037 0.000 1.229 1093 Q HN 0.475 nan 8.270 nan 0.000 0.433 1094 R N 3.360 123.947 120.500 0.144 0.000 2.196 1094 R HA 0.274 4.614 4.340 0.001 0.000 0.340 1094 R C -1.257 175.034 176.300 -0.015 0.000 1.043 1094 R CA -0.483 55.692 56.100 0.125 0.000 0.883 1094 R CB 0.154 30.561 30.300 0.179 0.000 1.078 1094 R HN 0.412 nan 8.270 nan 0.000 0.462 1095 L N 3.677 124.822 121.223 -0.130 0.000 2.379 1095 L HA 0.532 4.873 4.340 0.001 0.000 0.269 1095 L C 0.545 177.272 176.870 -0.239 0.000 1.084 1095 L CA -0.823 53.915 54.840 -0.169 0.000 0.802 1095 L CB 0.633 42.593 42.059 -0.166 0.000 1.175 1095 L HN 0.595 nan 8.230 nan 0.000 0.448 1096 R N -0.088 120.248 120.500 -0.274 0.000 2.707 1096 R HA 0.464 4.804 4.340 0.001 0.000 0.270 1096 R C -0.877 175.242 176.300 -0.300 0.000 1.083 1096 R CA -0.481 55.449 56.100 -0.283 0.000 1.182 1096 R CB 0.198 30.320 30.300 -0.296 0.000 1.084 1096 R HN 0.706 nan 8.270 nan 0.000 0.528 1097 H N -0.492 118.457 119.070 -0.202 0.000 3.753 1097 H HA -0.038 4.519 4.556 0.001 0.000 0.366 1097 H C -1.307 173.890 175.328 -0.218 0.000 1.388 1097 H CA -0.228 55.703 56.048 -0.195 0.000 1.577 1097 H CB -1.486 28.165 29.762 -0.185 0.000 1.384 1097 H HN 0.666 nan 8.280 nan 0.000 0.485 1098 M N 0.179 119.714 119.600 -0.109 0.000 2.409 1098 M HA 0.344 4.825 4.480 0.001 0.000 0.329 1098 M C 1.817 178.031 176.300 -0.142 0.000 1.180 1098 M CA -0.577 54.626 55.300 -0.163 0.000 1.053 1098 M CB 1.370 33.855 32.600 -0.190 0.000 1.586 1098 M HN 0.101 nan 8.290 nan 0.000 0.461 1099 V N 1.037 120.868 119.914 -0.138 0.000 2.215 1099 V HA -0.314 3.806 4.120 0.001 0.000 0.249 1099 V C 1.184 177.216 176.094 -0.103 0.000 1.054 1099 V CA 2.229 64.461 62.300 -0.112 0.000 1.012 1099 V CB -0.399 31.366 31.823 -0.097 0.000 0.639 1099 V HN 0.894 nan 8.190 nan 0.000 0.448 1100 D N -0.066 120.272 120.400 -0.103 0.000 2.436 1100 D HA -0.121 4.520 4.640 0.001 0.000 0.233 1100 D C 1.087 177.322 176.300 -0.110 0.000 1.028 1100 D CA 0.847 54.789 54.000 -0.096 0.000 0.988 1100 D CB -0.275 40.466 40.800 -0.098 0.000 0.864 1100 D HN 0.525 nan 8.370 nan 0.000 0.520 1101 D N -1.335 118.994 120.400 -0.120 0.000 2.469 1101 D HA 0.119 4.760 4.640 0.001 0.000 0.215 1101 D C 1.329 177.567 176.300 -0.103 0.000 1.154 1101 D CA 0.034 53.959 54.000 -0.125 0.000 0.832 1101 D CB 0.730 41.437 40.800 -0.155 0.000 1.008 1101 D HN 0.177 nan 8.370 nan 0.000 0.506 1102 K N -0.298 120.049 120.400 -0.087 0.000 2.493 1102 K HA 0.144 4.464 4.320 0.001 0.000 0.201 1102 K C 0.355 176.946 176.600 -0.016 0.000 1.355 1102 K CA -0.455 55.791 56.287 -0.069 0.000 0.953 1102 K CB 1.301 33.743 32.500 -0.096 0.000 1.316 1102 K HN -0.136 nan 8.250 nan 0.000 0.522 1103 I N 2.987 123.544 120.570 -0.022 0.000 3.075 1103 I HA -0.188 3.983 4.170 0.001 0.000 0.320 1103 I C -0.111 176.058 176.117 0.086 0.000 1.211 1103 I CA 1.285 62.588 61.300 0.006 0.000 1.463 1103 I CB -0.487 37.504 38.000 -0.016 0.000 1.308 1103 I HN 0.255 nan 8.210 nan 0.000 0.553 1104 H N 4.660 123.700 119.070 -0.050 0.000 3.153 1104 H HA 0.737 5.294 4.556 0.001 0.000 0.323 1104 H C -1.703 173.605 175.328 -0.033 0.000 1.096 1104 H CA -0.579 55.444 56.048 -0.042 0.000 1.385 1104 H CB 0.822 30.557 29.762 -0.045 0.000 2.027 1104 H HN 0.735 nan 8.280 nan 0.000 0.499 1105 A N 4.742 127.458 122.820 -0.174 0.000 2.574 1105 A HA 0.764 5.085 4.320 0.001 0.000 0.297 1105 A C -1.303 176.205 177.584 -0.127 0.000 1.062 1105 A CA -0.644 51.227 52.037 -0.277 0.000 0.686 1105 A CB 1.782 20.711 19.000 -0.118 0.000 1.285 1105 A HN 0.876 nan 8.150 nan 0.000 0.403 1106 R N 1.001 121.420 120.500 -0.136 0.000 2.673 1106 R HA 0.756 5.097 4.340 0.001 0.000 0.281 1106 R C -1.259 175.025 176.300 -0.027 0.000 0.991 1106 R CA -0.046 56.039 56.100 -0.025 0.000 0.896 1106 R CB 2.018 32.337 30.300 0.031 0.000 1.201 1106 R HN 1.427 nan 8.270 nan 0.000 0.457 1107 A N 5.257 128.071 122.820 -0.010 0.000 3.030 1107 A HA 0.403 4.724 4.320 0.001 0.000 0.335 1107 A C -0.644 176.936 177.584 -0.006 0.000 1.089 1107 A CA -0.454 51.577 52.037 -0.010 0.000 0.807 1107 A CB 0.263 19.256 19.000 -0.011 0.000 1.099 1107 A HN 1.010 nan 8.150 nan 0.000 0.474 1108 R N 0.061 120.558 120.500 -0.005 0.000 1.070 1108 R HA 0.049 4.389 4.340 0.001 0.000 0.423 1108 R C -0.189 176.109 176.300 -0.004 0.000 1.363 1108 R CA 1.161 57.257 56.100 -0.007 0.000 1.323 1108 R CB -1.104 29.190 30.300 -0.010 0.000 3.683 1108 R HN 2.194 nan 8.270 nan 0.000 0.499 1109 G N 2.513 111.309 108.800 -0.007 0.000 2.348 1109 G HA2 0.458 4.419 3.960 0.001 0.000 0.296 1109 G HA3 0.458 4.419 3.960 0.001 0.000 0.296 1109 G C -2.923 171.970 174.900 -0.012 0.000 1.258 1109 G CA -0.426 44.671 45.100 -0.006 0.000 0.868 1109 G HN 0.640 nan 8.290 nan 0.000 0.488 1110 P HA 0.075 nan 4.420 nan 0.000 0.261 1110 P C -0.566 176.718 177.300 -0.026 0.000 1.158 1110 P CA 0.666 63.757 63.100 -0.015 0.000 0.758 1110 P CB 0.305 32.001 31.700 -0.007 0.000 0.763 1111 M N 1.686 121.261 119.600 -0.042 0.000 2.578 1111 M HA 0.320 4.800 4.480 0.001 0.000 0.321 1111 M C 0.650 176.909 176.300 -0.070 0.000 1.182 1111 M CA -1.051 54.210 55.300 -0.064 0.000 0.965 1111 M CB 1.439 33.982 32.600 -0.094 0.000 1.694 1111 M HN 0.400 nan 8.290 nan 0.000 0.461 1112 Q N 0.193 119.946 119.800 -0.078 0.000 2.524 1112 Q HA 0.164 4.504 4.340 0.001 0.000 0.246 1112 Q C 0.646 176.586 176.000 -0.100 0.000 1.063 1112 Q CA -0.053 55.706 55.803 -0.073 0.000 0.945 1112 Q CB 1.058 29.755 28.738 -0.069 0.000 1.292 1112 Q HN 0.562 nan 8.270 nan 0.000 0.518 1113 V N 2.008 121.875 119.914 -0.080 0.000 2.374 1113 V HA -0.137 3.983 4.120 0.001 0.000 0.241 1113 V C 1.673 177.703 176.094 -0.106 0.000 1.034 1113 V CA 1.170 63.418 62.300 -0.087 0.000 1.037 1113 V CB -0.598 31.196 31.823 -0.049 0.000 0.682 1113 V HN 0.759 nan 8.190 nan 0.000 0.463 1114 L N -0.013 121.170 121.223 -0.066 0.000 2.093 1114 L HA -0.076 4.265 4.340 0.001 0.000 0.208 1114 L C 2.219 179.061 176.870 -0.046 0.000 1.085 1114 L CA 2.375 57.195 54.840 -0.033 0.000 0.755 1114 L CB -0.704 41.353 42.059 -0.004 0.000 0.904 1114 L HN 0.322 nan 8.230 nan 0.000 0.435 1115 T N -1.168 113.332 114.554 -0.089 0.000 3.010 1115 T HA 0.089 4.439 4.350 0.001 0.000 0.252 1115 T C 0.790 175.333 174.700 -0.263 0.000 1.047 1115 T CA 0.452 62.496 62.100 -0.093 0.000 1.140 1115 T CB 0.080 68.915 68.868 -0.055 0.000 0.885 1115 T HN 0.332 nan 8.240 nan 0.000 0.464 1116 R N 0.458 120.770 120.500 -0.313 0.000 3.908 1116 R HA -0.117 4.223 4.340 0.001 0.000 0.381 1116 R C -0.209 175.958 176.300 -0.221 0.000 1.135 1116 R CA 0.418 56.285 56.100 -0.387 0.000 0.990 1116 R CB -1.799 28.022 30.300 -0.799 0.000 1.557 1116 R HN 0.493 nan 8.270 nan 0.000 0.535 1117 Q N 0.177 119.895 119.800 -0.137 0.000 2.180 1117 Q HA 0.417 4.758 4.340 0.001 0.000 0.241 1117 Q C -2.311 173.651 176.000 -0.063 0.000 0.970 1117 Q CA -2.050 53.705 55.803 -0.079 0.000 0.919 1117 Q CB 1.022 29.730 28.738 -0.049 0.000 1.222 1117 Q HN -0.127 nan 8.270 nan 0.000 0.482 1118 P HA -0.075 nan 4.420 nan 0.000 0.270 1118 P C -0.899 176.390 177.300 -0.019 0.000 1.227 1118 P CA -0.099 62.987 63.100 -0.024 0.000 0.788 1118 P CB 0.370 32.067 31.700 -0.005 0.000 0.926 1119 V N -1.717 118.190 119.914 -0.011 0.000 3.036 1119 V HA 0.403 4.523 4.120 0.001 0.000 0.308 1119 V C 0.228 176.322 176.094 0.001 0.000 1.070 1119 V CA -0.563 61.730 62.300 -0.011 0.000 1.056 1119 V CB 0.740 32.555 31.823 -0.013 0.000 1.084 1119 V HN 0.543 nan 8.190 nan 0.000 0.471 1120 E N 0.919 121.116 120.200 -0.006 0.000 2.250 1120 E HA 0.584 4.934 4.350 0.001 0.000 0.265 1120 E C 0.079 176.667 176.600 -0.021 0.000 1.033 1120 E CA -0.016 56.381 56.400 -0.005 0.000 0.888 1120 E CB 1.503 31.198 29.700 -0.009 0.000 1.151 1120 E HN 1.861 nan 8.360 nan 0.000 0.412 1121 G N 2.028 110.809 108.800 -0.032 0.000 2.999 1121 G HA2 -0.244 3.716 3.960 0.001 0.000 0.686 1121 G HA3 -0.244 3.716 3.960 0.001 0.000 0.686 1121 G C 0.266 175.071 174.900 -0.158 0.000 1.057 1121 G CA 0.181 45.236 45.100 -0.075 0.000 0.784 1121 G HN 0.788 nan 8.290 nan 0.000 0.575 1122 R N 0.925 121.258 120.500 -0.278 0.000 2.148 1122 R HA -0.002 4.339 4.340 0.001 0.000 0.223 1122 R C 2.673 178.777 176.300 -0.327 0.000 1.088 1122 R CA 2.278 58.024 56.100 -0.591 0.000 0.985 1122 R CB -0.381 29.519 30.300 -0.667 0.000 0.880 1122 R HN 1.056 nan 8.270 nan 0.000 0.451 1123 S N 0.809 116.399 115.700 -0.184 0.000 2.382 1123 S HA -0.108 4.362 4.470 0.001 0.000 0.228 1123 S C 1.867 176.421 174.600 -0.077 0.000 1.027 1123 S CA 0.932 59.069 58.200 -0.104 0.000 0.991 1123 S CB -0.229 62.933 63.200 -0.064 0.000 0.823 1123 S HN 0.454 nan 8.310 nan 0.000 0.469 1124 R N 0.618 121.072 120.500 -0.076 0.000 2.334 1124 R HA 0.165 4.505 4.340 0.001 0.000 0.220 1124 R C -0.171 176.106 176.300 -0.040 0.000 0.917 1124 R CA 0.492 56.566 56.100 -0.044 0.000 1.073 1124 R CB 0.008 30.289 30.300 -0.031 0.000 1.056 1124 R HN 0.302 nan 8.270 nan 0.000 0.506 1125 D N -0.754 119.606 120.400 -0.067 0.000 3.051 1125 D HA -0.104 4.537 4.640 0.001 0.000 0.218 1125 D C 0.352 176.672 176.300 0.034 0.000 1.129 1125 D CA 1.001 54.989 54.000 -0.021 0.000 0.868 1125 D CB -1.042 39.758 40.800 -0.001 0.000 1.100 1125 D HN 0.416 nan 8.370 nan 0.000 0.429 1126 G N -0.656 108.153 108.800 0.015 0.000 2.527 1126 G HA2 0.530 4.491 3.960 0.001 0.000 0.279 1126 G HA3 0.530 4.491 3.960 0.001 0.000 0.279 1126 G C 0.646 175.649 174.900 0.171 0.000 1.374 1126 G CA 0.301 45.443 45.100 0.068 0.000 1.053 1126 G HN 0.421 nan 8.290 nan 0.000 0.539 1127 G N -2.214 106.659 108.800 0.123 0.000 2.818 1127 G HA2 0.569 4.529 3.960 0.001 0.000 0.286 1127 G HA3 0.569 4.529 3.960 0.001 0.000 0.286 1127 G C -0.796 174.151 174.900 0.080 0.000 1.364 1127 G CA -0.954 44.198 45.100 0.086 0.000 0.938 1127 G HN 0.552 nan 8.290 nan 0.000 0.490 1128 L N -0.564 120.674 121.223 0.026 0.000 2.448 1128 L HA 0.617 4.957 4.340 0.001 0.000 0.258 1128 L C 0.744 177.638 176.870 0.040 0.000 1.104 1128 L CA -0.861 53.993 54.840 0.024 0.000 0.800 1128 L CB 1.165 43.215 42.059 -0.015 0.000 1.241 1128 L HN 0.532 nan 8.230 nan 0.000 0.472 1129 R N 0.223 120.739 120.500 0.028 0.000 2.393 1129 R HA 0.315 4.656 4.340 0.001 0.000 0.310 1129 R C -1.416 174.909 176.300 0.042 0.000 0.968 1129 R CA -0.362 55.762 56.100 0.041 0.000 0.867 1129 R CB 0.783 31.090 30.300 0.012 0.000 1.124 1129 R HN 0.412 nan 8.270 nan 0.000 0.450 1130 F N 4.510 124.439 119.950 -0.035 0.000 2.329 1130 F HA 0.431 4.959 4.527 0.001 0.000 0.362 1130 F C 0.504 176.281 175.800 -0.038 0.000 1.113 1130 F CA -0.178 57.797 58.000 -0.042 0.000 1.212 1130 F CB 0.821 39.780 39.000 -0.068 0.000 1.509 1130 F HN 0.745 nan 8.300 nan 0.000 0.546 1131 G N 3.223 111.994 108.800 -0.049 0.000 2.616 1131 G HA2 0.080 4.041 3.960 0.001 0.000 0.268 1131 G HA3 0.080 4.041 3.960 0.001 0.000 0.268 1131 G C 0.710 175.619 174.900 0.015 0.000 1.213 1131 G CA -0.349 44.746 45.100 -0.009 0.000 0.926 1131 G HN 0.677 nan 8.290 nan 0.000 0.523 1132 E N -0.162 120.050 120.200 0.019 0.000 2.048 1132 E HA -0.268 4.083 4.350 0.001 0.000 0.202 1132 E C 2.635 179.239 176.600 0.008 0.000 1.021 1132 E CA 1.781 58.196 56.400 0.026 0.000 0.825 1132 E CB -0.232 29.473 29.700 0.009 0.000 0.756 1132 E HN 0.552 nan 8.360 nan 0.000 0.454 1133 M N 0.503 120.087 119.600 -0.026 0.000 2.108 1133 M HA -0.258 4.223 4.480 0.001 0.000 0.257 1133 M C 2.137 178.400 176.300 -0.061 0.000 1.071 1133 M CA 1.646 56.921 55.300 -0.041 0.000 1.093 1133 M CB -0.475 32.092 32.600 -0.055 0.000 1.345 1133 M HN 0.008 nan 8.290 nan 0.000 0.403 1134 E N -0.088 120.028 120.200 -0.139 0.000 2.072 1134 E HA -0.127 4.223 4.350 0.001 0.000 0.191 1134 E C 2.015 178.597 176.600 -0.031 0.000 0.985 1134 E CA 0.965 57.197 56.400 -0.280 0.000 0.801 1134 E CB -0.272 28.928 29.700 -0.834 0.000 0.750 1134 E HN 0.337 nan 8.360 nan 0.000 0.452 1135 R N 0.937 121.524 120.500 0.145 0.000 2.082 1135 R HA -0.200 4.140 4.340 0.001 0.000 0.234 1135 R C 1.281 177.662 176.300 0.135 0.000 1.136 1135 R CA 2.035 58.294 56.100 0.265 0.000 0.935 1135 R CB -0.393 30.010 30.300 0.172 0.000 0.842 1135 R HN 0.113 nan 8.270 nan 0.000 0.430 1136 D N 0.240 120.680 120.400 0.067 0.000 2.200 1136 D HA -0.237 4.404 4.640 0.001 0.000 0.192 1136 D C 1.961 178.286 176.300 0.042 0.000 1.008 1136 D CA 1.664 55.686 54.000 0.036 0.000 0.872 1136 D CB -0.618 40.187 40.800 0.009 0.000 0.923 1136 D HN 0.311 nan 8.370 nan 0.000 0.447 1137 C N 0.019 119.350 119.300 0.052 0.000 2.462 1137 C HA -0.096 4.364 4.460 0.001 0.000 0.278 1137 C C 2.630 177.714 174.990 0.157 0.000 1.253 1137 C CA 0.473 59.534 59.018 0.071 0.000 1.713 1137 C CB -0.658 27.126 27.740 0.073 0.000 2.049 1137 C HN 0.367 nan 8.230 nan 0.000 0.477 1138 M N 0.584 120.322 119.600 0.231 0.000 2.279 1138 M HA -0.055 4.425 4.480 0.001 0.000 0.264 1138 M C 1.816 178.229 176.300 0.188 0.000 1.062 1138 M CA 1.411 56.881 55.300 0.284 0.000 1.099 1138 M CB -1.335 31.444 32.600 0.298 0.000 1.394 1138 M HN 0.401 nan 8.290 nan 0.000 0.426 1139 I N -0.184 120.457 120.570 0.118 0.000 2.394 1139 I HA -0.230 3.941 4.170 0.001 0.000 0.251 1139 I C 2.528 178.678 176.117 0.054 0.000 1.136 1139 I CA 0.961 62.304 61.300 0.072 0.000 1.425 1139 I CB -0.652 37.374 38.000 0.044 0.000 1.079 1139 I HN 0.207 nan 8.210 nan 0.000 0.425 1140 A N 0.383 123.219 122.820 0.027 0.000 1.858 1140 A HA -0.237 4.084 4.320 0.001 0.000 0.216 1140 A C 2.225 179.772 177.584 -0.062 0.000 1.190 1140 A CA 1.516 53.524 52.037 -0.048 0.000 0.617 1140 A CB -0.934 17.992 19.000 -0.123 0.000 0.827 1140 A HN 0.391 nan 8.150 nan 0.000 0.443 1141 H N -0.906 118.193 119.070 0.048 0.000 2.456 1141 H HA 0.010 4.566 4.556 0.001 0.000 0.296 1141 H C 1.705 177.060 175.328 0.046 0.000 1.079 1141 H CA 1.159 57.235 56.048 0.048 0.000 1.322 1141 H CB -0.295 29.508 29.762 0.068 0.000 1.388 1141 H HN 0.694 nan 8.280 nan 0.000 0.538 1142 G N -0.006 108.887 108.800 0.154 0.000 2.182 1142 G HA2 -0.231 3.729 3.960 0.001 0.000 0.248 1142 G HA3 -0.231 3.729 3.960 0.001 0.000 0.248 1142 G C 0.623 175.594 174.900 0.118 0.000 1.042 1142 G CA 0.387 45.550 45.100 0.104 0.000 0.775 1142 G HN 0.654 nan 8.290 nan 0.000 0.501 1143 A N -0.216 122.701 122.820 0.162 0.000 3.117 1143 A HA 0.804 5.124 4.320 0.001 0.000 0.255 1143 A C 2.044 179.712 177.584 0.139 0.000 1.583 1143 A CA 1.081 53.218 52.037 0.167 0.000 1.234 1143 A CB -0.634 18.515 19.000 0.248 0.000 1.076 1143 A HN 2.024 nan 8.150 nan 0.000 0.653 1144 A N 0.770 123.643 122.820 0.089 0.000 1.883 1144 A HA -0.282 4.039 4.320 0.001 0.000 0.226 1144 A C 2.525 180.136 177.584 0.045 0.000 1.512 1144 A CA 2.738 54.807 52.037 0.055 0.000 0.738 1144 A CB -1.298 17.727 19.000 0.042 0.000 0.848 1144 A HN 0.629 nan 8.150 nan 0.000 0.477 1145 S N -1.341 114.395 115.700 0.059 0.000 2.359 1145 S HA -0.165 4.305 4.470 0.001 0.000 0.224 1145 S C 1.663 176.310 174.600 0.077 0.000 1.035 1145 S CA 1.629 59.862 58.200 0.054 0.000 1.018 1145 S CB -0.560 62.674 63.200 0.057 0.000 0.876 1145 S HN 0.645 nan 8.310 nan 0.000 0.448 1146 F N 2.043 121.973 119.950 -0.034 0.000 2.216 1146 F HA 0.008 4.535 4.527 0.001 0.000 0.300 1146 F C 1.785 177.530 175.800 -0.093 0.000 1.085 1146 F CA 0.680 58.650 58.000 -0.050 0.000 1.326 1146 F CB -0.454 38.530 39.000 -0.027 0.000 1.027 1146 F HN 0.145 nan 8.300 nan 0.000 0.497 1147 L N 0.378 121.449 121.223 -0.253 0.000 2.056 1147 L HA -0.181 4.159 4.340 0.001 0.000 0.207 1147 L C 2.681 179.339 176.870 -0.354 0.000 1.078 1147 L CA 1.465 56.057 54.840 -0.413 0.000 0.749 1147 L CB -0.634 41.322 42.059 -0.172 0.000 0.901 1147 L HN 0.046 nan 8.230 nan 0.000 0.433 1148 K N 0.113 120.400 120.400 -0.189 0.000 2.147 1148 K HA -0.249 4.071 4.320 0.001 0.000 0.205 1148 K C 1.857 178.354 176.600 -0.171 0.000 1.049 1148 K CA 1.489 57.689 56.287 -0.145 0.000 0.936 1148 K CB -0.014 32.444 32.500 -0.071 0.000 0.722 1148 K HN 0.466 nan 8.250 nan 0.000 0.446 1149 E N 0.135 120.225 120.200 -0.183 0.000 2.047 1149 E HA -0.156 4.194 4.350 0.001 0.000 0.191 1149 E C 2.036 178.486 176.600 -0.250 0.000 0.987 1149 E CA 0.603 56.914 56.400 -0.148 0.000 0.799 1149 E CB 0.189 29.879 29.700 -0.015 0.000 0.752 1149 E HN 0.146 nan 8.360 nan 0.000 0.449 1150 R N 0.452 120.654 120.500 -0.497 0.000 2.088 1150 R HA -0.151 4.190 4.340 0.001 0.000 0.232 1150 R C 2.499 178.559 176.300 -0.400 0.000 1.136 1150 R CA 0.828 56.580 56.100 -0.579 0.000 0.926 1150 R CB -1.214 28.375 30.300 -1.186 0.000 0.837 1150 R HN 0.202 nan 8.270 nan 0.000 0.429 1151 L N 0.228 121.203 121.223 -0.413 0.000 2.081 1151 L HA -0.192 4.148 4.340 0.001 0.000 0.212 1151 L C 2.254 179.034 176.870 -0.150 0.000 1.080 1151 L CA 1.749 56.438 54.840 -0.251 0.000 0.754 1151 L CB -0.323 41.605 42.059 -0.218 0.000 0.893 1151 L HN 0.192 nan 8.230 nan 0.000 0.433 1152 M N -2.019 117.497 119.600 -0.139 0.000 2.808 1152 M HA 0.047 4.527 4.480 0.001 0.000 0.184 1152 M C 2.023 178.276 176.300 -0.077 0.000 1.446 1152 M CA 0.535 55.784 55.300 -0.085 0.000 1.397 1152 M CB -1.009 31.545 32.600 -0.076 0.000 0.918 1152 M HN -0.139 nan 8.290 nan 0.000 0.515 1153 E N 1.252 121.402 120.200 -0.083 0.000 2.352 1153 E HA -0.120 4.231 4.350 0.001 0.000 0.203 1153 E C 0.927 177.495 176.600 -0.054 0.000 1.024 1153 E CA 1.380 57.740 56.400 -0.067 0.000 0.842 1153 E CB -0.300 29.364 29.700 -0.059 0.000 0.753 1153 E HN 0.496 nan 8.360 nan 0.000 0.508 1154 A N -1.193 121.585 122.820 -0.070 0.000 2.637 1154 A HA 0.514 4.834 4.320 0.001 0.000 0.293 1154 A C 0.930 178.480 177.584 -0.057 0.000 1.216 1154 A CA 0.375 52.378 52.037 -0.058 0.000 0.956 1154 A CB 0.432 19.394 19.000 -0.063 0.000 1.174 1154 A HN 0.095 nan 8.150 nan 0.000 0.525 1155 S N -1.450 114.219 115.700 -0.053 0.000 5.515 1155 S HA 0.063 4.534 4.470 0.001 0.000 0.145 1155 S C 0.136 174.717 174.600 -0.032 0.000 1.350 1155 S CA 0.622 58.794 58.200 -0.046 0.000 1.034 1155 S CB -0.450 62.716 63.200 -0.056 0.000 2.011 1155 S HN 0.219 nan 8.310 nan 0.000 0.655 1156 D N 1.788 122.180 120.400 -0.014 0.000 2.087 1156 D HA 0.244 4.884 4.640 0.001 0.000 0.203 1156 D C 0.923 177.272 176.300 0.082 0.000 0.976 1156 D CA 1.620 55.640 54.000 0.034 0.000 0.865 1156 D CB -0.937 39.908 40.800 0.075 0.000 1.005 1156 D HN 1.051 nan 8.370 nan 0.000 0.449 1157 A N 0.570 123.445 122.820 0.093 0.000 1.417 1157 A HA -0.122 4.198 4.320 0.001 0.000 0.175 1157 A C -0.385 177.361 177.584 0.270 0.000 1.209 1157 A CA 0.639 52.741 52.037 0.107 0.000 0.621 1157 A CB -1.530 17.482 19.000 0.019 0.000 1.088 1157 A HN 0.337 nan 8.150 nan 0.000 0.157 1158 F N 2.567 122.578 119.950 0.102 0.000 2.713 1158 F HA 0.783 5.310 4.527 0.001 0.000 0.311 1158 F C -0.569 175.346 175.800 0.191 0.000 1.141 1158 F CA -0.810 57.284 58.000 0.156 0.000 0.939 1158 F CB 1.247 40.380 39.000 0.222 0.000 1.325 1158 F HN 0.843 nan 8.300 nan 0.000 0.453 1159 R N 3.698 123.853 120.500 -0.575 0.000 2.561 1159 R HA 0.755 5.096 4.340 0.001 0.000 0.297 1159 R C -2.107 173.666 176.300 -0.879 0.000 0.969 1159 R CA -0.392 55.387 56.100 -0.534 0.000 0.879 1159 R CB 1.640 31.777 30.300 -0.271 0.000 1.178 1159 R HN 0.573 nan 8.270 nan 0.000 0.445 1160 V N 2.610 122.175 119.914 -0.580 0.000 3.177 1160 V HA 0.531 4.651 4.120 0.001 0.000 0.319 1160 V C -0.199 175.668 176.094 -0.379 0.000 1.125 1160 V CA -0.943 61.117 62.300 -0.400 0.000 1.029 1160 V CB 2.050 33.753 31.823 -0.201 0.000 1.119 1160 V HN 0.694 nan 8.190 nan 0.000 0.452 1161 H N 1.286 120.293 119.070 -0.106 0.000 2.505 1161 H HA 0.643 5.199 4.556 0.001 0.000 0.338 1161 H C -0.737 174.556 175.328 -0.058 0.000 1.057 1161 H CA -0.154 55.843 56.048 -0.084 0.000 1.202 1161 H CB 1.885 31.628 29.762 -0.032 0.000 1.466 1161 H HN 0.474 nan 8.280 nan 0.000 0.499 1162 I N 1.098 121.697 120.570 0.049 0.000 3.217 1162 I HA 0.312 4.482 4.170 0.001 0.000 0.308 1162 I C 0.399 176.538 176.117 0.038 0.000 1.091 1162 I CA -1.000 60.321 61.300 0.036 0.000 1.013 1162 I CB 1.863 39.873 38.000 0.017 0.000 1.250 1162 I HN 0.425 nan 8.210 nan 0.000 0.496 1163 C N 0.493 119.810 119.300 0.028 0.000 2.493 1163 C HA 0.675 5.136 4.460 0.001 0.000 0.326 1163 C C 1.407 176.398 174.990 0.001 0.000 1.200 1163 C CA -0.214 58.812 59.018 0.013 0.000 1.739 1163 C CB 0.679 28.421 27.740 0.002 0.000 2.300 1163 C HN 0.993 nan 8.230 nan 0.000 0.500 1164 G N 3.346 112.157 108.800 0.018 0.000 2.920 1164 G HA2 0.147 4.108 3.960 0.001 0.000 0.208 1164 G HA3 0.147 4.108 3.960 0.001 0.000 0.208 1164 G C 0.773 175.528 174.900 -0.243 0.000 1.159 1164 G CA 0.628 45.702 45.100 -0.043 0.000 0.784 1164 G HN 0.678 nan 8.290 nan 0.000 0.535 1165 I N 0.523 121.004 120.570 -0.150 0.000 5.420 1165 I HA 0.146 4.316 4.170 0.001 0.000 0.236 1165 I C 1.358 177.476 176.117 0.002 0.000 0.905 1165 I CA -0.511 60.728 61.300 -0.102 0.000 2.003 1165 I CB -1.194 36.786 38.000 -0.032 0.000 1.473 1165 I HN 0.108 nan 8.210 nan 0.000 0.475 1166 c N 3.325 121.949 118.600 0.040 0.000 2.727 1166 c HA 0.451 5.021 4.570 0.001 0.000 0.384 1166 c C 1.431 175.582 174.090 0.101 0.000 1.256 1166 c CA -1.105 55.272 56.329 0.080 0.000 1.410 1166 c CB -1.803 40.732 42.510 0.042 0.000 2.120 1166 c HN 0.652 nan 8.230 nan 0.000 0.590 1167 G N 4.172 113.123 108.800 0.251 0.000 2.899 1167 G HA2 0.302 4.263 3.960 0.001 0.000 0.258 1167 G HA3 0.302 4.263 3.960 0.001 0.000 0.258 1167 G C 0.069 175.003 174.900 0.057 0.000 0.765 1167 G CA -0.002 45.247 45.100 0.248 0.000 2.018 1167 G HN 0.857 nan 8.290 nan 0.000 0.587 1168 L N -0.899 120.340 121.223 0.027 0.000 2.235 1168 L HA 0.495 4.836 4.340 0.001 0.000 0.260 1168 L C 1.130 178.006 176.870 0.010 0.000 1.025 1168 L CA -1.173 53.664 54.840 -0.004 0.000 0.836 1168 L CB 1.522 43.585 42.059 0.007 0.000 1.395 1168 L HN 0.051 nan 8.230 nan 0.000 0.443 1169 M N 0.306 119.919 119.600 0.021 0.000 3.029 1169 M HA 0.101 4.581 4.480 0.001 0.000 0.267 1169 M C 0.585 176.918 176.300 0.055 0.000 1.270 1169 M CA -0.017 55.310 55.300 0.045 0.000 1.101 1169 M CB -0.406 32.233 32.600 0.064 0.000 1.266 1169 M HN 0.718 nan 8.290 nan 0.000 0.503 1170 T N -1.526 113.056 114.554 0.047 0.000 2.937 1170 T HA 0.035 4.385 4.350 0.001 0.000 0.260 1170 T C 1.019 175.754 174.700 0.058 0.000 1.051 1170 T CA 0.007 62.136 62.100 0.048 0.000 1.141 1170 T CB -0.323 68.568 68.868 0.037 0.000 0.879 1170 T HN 0.269 nan 8.240 nan 0.000 0.459 1171 V N 2.723 122.676 119.914 0.064 0.000 2.839 1171 V HA -0.098 4.022 4.120 0.001 0.000 0.296 1171 V C 0.447 176.593 176.094 0.087 0.000 1.239 1171 V CA 0.270 62.618 62.300 0.080 0.000 1.349 1171 V CB -0.620 31.258 31.823 0.091 0.000 0.852 1171 V HN 0.366 nan 8.190 nan 0.000 0.504 1172 I N 4.575 125.193 120.570 0.079 0.000 2.373 1172 I HA 0.337 4.507 4.170 0.001 0.000 0.287 1172 I C 0.976 177.107 176.117 0.024 0.000 1.124 1172 I CA -0.038 61.291 61.300 0.049 0.000 1.273 1172 I CB 0.310 38.328 38.000 0.031 0.000 1.578 1172 I HN 0.672 nan 8.210 nan 0.000 0.572 1173 A N 3.960 126.797 122.820 0.029 0.000 2.489 1173 A HA 0.130 4.450 4.320 0.001 0.000 0.289 1173 A C 1.351 178.830 177.584 -0.175 0.000 1.216 1173 A CA -0.011 51.974 52.037 -0.086 0.000 0.883 1173 A CB -0.229 18.627 19.000 -0.240 0.000 1.110 1173 A HN 0.572 nan 8.150 nan 0.000 0.523 1174 K N 2.367 122.591 120.400 -0.293 0.000 2.525 1174 K HA 0.109 4.430 4.320 0.001 0.000 0.192 1174 K C 0.155 176.585 176.600 -0.283 0.000 1.029 1174 K CA -0.037 56.105 56.287 -0.241 0.000 1.029 1174 K CB -0.302 32.067 32.500 -0.219 0.000 0.814 1174 K HN 0.801 nan 8.250 nan 0.000 0.503 1175 L N 2.171 123.199 121.223 -0.325 0.000 4.328 1175 L HA -0.338 4.002 4.340 0.001 0.000 0.496 1175 L C 0.865 177.606 176.870 -0.216 0.000 1.047 1175 L CA 0.270 54.980 54.840 -0.217 0.000 0.733 1175 L CB -1.259 40.767 42.059 -0.055 0.000 1.714 1175 L HN 0.446 nan 8.230 nan 0.000 0.812 1176 N N -1.505 117.001 118.700 -0.323 0.000 2.500 1176 N HA 0.016 4.757 4.740 0.001 0.000 0.292 1176 N C 1.097 176.424 175.510 -0.305 0.000 0.775 1176 N CA 0.267 53.090 53.050 -0.378 0.000 1.052 1176 N CB 0.357 38.436 38.487 -0.681 0.000 1.737 1176 N HN 0.395 nan 8.380 nan 0.000 1.182 1177 H N 1.362 120.352 119.070 -0.134 0.000 2.549 1177 H HA 0.426 4.983 4.556 0.001 0.000 0.279 1177 H C 0.299 175.514 175.328 -0.189 0.000 1.018 1177 H CA -0.059 55.913 56.048 -0.127 0.000 1.175 1177 H CB 0.357 30.056 29.762 -0.106 0.000 1.485 1177 H HN 0.313 nan 8.280 nan 0.000 0.543 1178 N N 0.437 118.991 118.700 -0.245 0.000 2.649 1178 N HA -0.230 4.511 4.740 0.001 0.000 0.214 1178 N C 0.207 175.228 175.510 -0.814 0.000 1.042 1178 N CA 1.219 53.991 53.050 -0.463 0.000 1.906 1178 N CB -0.913 37.452 38.487 -0.203 0.000 0.898 1178 N HN 0.456 nan 8.380 nan 0.000 0.532 1179 Q N 0.005 119.554 119.800 -0.419 0.000 2.943 1179 Q HA -0.097 4.244 4.340 0.001 0.000 0.398 1179 Q C 0.480 176.155 176.000 -0.541 0.000 1.173 1179 Q CA 1.301 56.907 55.803 -0.328 0.000 1.154 1179 Q CB 0.051 28.694 28.738 -0.158 0.000 1.158 1179 Q HN 0.464 nan 8.270 nan 0.000 0.479 1180 F N -0.025 119.883 119.950 -0.071 0.000 2.083 1180 F HA 0.188 4.716 4.527 0.001 0.000 0.225 1180 F C 0.030 175.790 175.800 -0.066 0.000 1.146 1180 F CA -0.469 57.474 58.000 -0.096 0.000 1.267 1180 F CB 0.483 39.415 39.000 -0.113 0.000 1.684 1180 F HN 0.535 nan 8.300 nan 0.000 0.436 1181 E N -0.221 120.078 120.200 0.166 0.000 7.825 1181 E HA -0.268 4.083 4.350 0.001 0.000 0.465 1181 E C -1.222 175.414 176.600 0.060 0.000 0.585 1181 E CA 0.552 56.998 56.400 0.077 0.000 1.026 1181 E CB -0.534 29.195 29.700 0.049 0.000 0.978 1181 E HN 0.496 nan 8.360 nan 0.000 0.265 1182 C N 4.284 123.606 119.300 0.036 0.000 3.498 1182 C HA 0.367 4.827 4.460 0.001 0.000 0.218 1182 C C -0.406 174.598 174.990 0.023 0.000 1.284 1182 C CA -0.790 58.246 59.018 0.030 0.000 1.343 1182 C CB -0.828 26.925 27.740 0.023 0.000 1.825 1182 C HN 0.537 nan 8.230 nan 0.000 0.518 1183 K N 1.784 122.198 120.400 0.022 0.000 2.469 1183 K HA 0.521 4.842 4.320 0.001 0.000 0.274 1183 K C 1.345 177.955 176.600 0.017 0.000 0.983 1183 K CA 1.091 57.389 56.287 0.017 0.000 0.974 1183 K CB 0.180 32.689 32.500 0.015 0.000 0.913 1183 K HN 1.169 nan 8.250 nan 0.000 0.493 1184 G N 0.204 109.012 108.800 0.014 0.000 2.376 1184 G HA2 -0.277 3.683 3.960 0.001 0.000 0.208 1184 G HA3 -0.277 3.683 3.960 0.001 0.000 0.208 1184 G C 0.888 175.797 174.900 0.014 0.000 1.032 1184 G CA -0.029 45.080 45.100 0.014 0.000 0.641 1184 G HN 0.646 nan 8.290 nan 0.000 0.503 1185 c N 1.045 119.653 118.600 0.014 0.000 3.403 1185 c HA 0.533 5.104 4.570 0.001 0.000 0.317 1185 c C 0.616 174.710 174.090 0.007 0.000 1.346 1185 c CA -0.419 55.917 56.329 0.011 0.000 1.743 1185 c CB 0.112 42.628 42.510 0.011 0.000 2.308 1185 c HN 0.752 nan 8.230 nan 0.000 0.675 1186 D N 2.602 123.008 120.400 0.010 0.000 3.665 1186 D HA -0.180 4.460 4.640 0.001 0.000 0.206 1186 D C -0.110 176.193 176.300 0.005 0.000 1.080 1186 D CA 0.923 54.929 54.000 0.009 0.000 1.080 1186 D CB -0.178 40.626 40.800 0.007 0.000 0.781 1186 D HN 0.570 nan 8.370 nan 0.000 0.401 1187 N N 2.438 121.143 118.700 0.008 0.000 3.195 1187 N HA 0.430 5.170 4.740 0.001 0.000 0.306 1187 N C 0.631 176.148 175.510 0.011 0.000 1.454 1187 N CA 0.221 53.271 53.050 0.000 0.000 0.752 1187 N CB 0.732 39.212 38.487 -0.011 0.000 1.997 1187 N HN 0.521 nan 8.380 nan 0.000 0.478 1188 K N -1.413 118.997 120.400 0.017 0.000 3.471 1188 K HA 0.034 4.355 4.320 0.001 0.000 0.226 1188 K C 0.808 177.426 176.600 0.030 0.000 0.953 1188 K CA 0.356 56.675 56.287 0.054 0.000 1.010 1188 K CB -0.924 31.600 32.500 0.040 0.000 1.484 1188 K HN 0.328 nan 8.250 nan 0.000 0.685 1189 I N 0.075 120.627 120.570 -0.029 0.000 3.393 1189 I HA 0.047 4.217 4.170 0.001 0.000 0.250 1189 I C 0.383 176.407 176.117 -0.155 0.000 1.122 1189 I CA -0.067 61.193 61.300 -0.067 0.000 1.484 1189 I CB 0.301 38.270 38.000 -0.052 0.000 1.468 1189 I HN -0.013 nan 8.210 nan 0.000 0.461 1190 D N 2.020 122.330 120.400 -0.150 0.000 2.545 1190 D HA 0.306 4.946 4.640 0.001 0.000 0.227 1190 D C -0.869 175.270 176.300 -0.268 0.000 1.150 1190 D CA 0.272 54.138 54.000 -0.224 0.000 1.046 1190 D CB -0.058 40.680 40.800 -0.104 0.000 1.098 1190 D HN -0.066 nan 8.370 nan 0.000 0.502 1191 I N 2.813 123.113 120.570 -0.450 0.000 2.509 1191 I HA 0.367 4.537 4.170 0.001 0.000 0.293 1191 I C -0.671 175.090 176.117 -0.592 0.000 1.020 1191 I CA -0.706 60.339 61.300 -0.424 0.000 1.088 1191 I CB 1.253 38.913 38.000 -0.567 0.000 1.267 1191 I HN 0.162 nan 8.210 nan 0.000 0.430 1192 Y N 2.582 122.758 120.300 -0.207 0.000 2.833 1192 Y HA 0.731 5.281 4.550 0.001 0.000 0.319 1192 Y C -0.256 175.543 175.900 -0.168 0.000 1.254 1192 Y CA -0.746 57.248 58.100 -0.177 0.000 1.138 1192 Y CB 1.018 39.391 38.460 -0.146 0.000 1.352 1192 Y HN 0.445 nan 8.280 nan 0.000 0.546 1193 Q N 1.641 121.436 119.800 -0.010 0.000 2.313 1193 Q HA 0.507 4.847 4.340 0.001 0.000 0.260 1193 Q C -2.164 173.686 176.000 -0.249 0.000 0.972 1193 Q CA -0.674 54.980 55.803 -0.250 0.000 0.886 1193 Q CB 2.044 30.519 28.738 -0.438 0.000 1.373 1193 Q HN 0.709 nan 8.270 nan 0.000 0.416 1194 I N -0.609 119.801 120.570 -0.267 0.000 3.237 1194 I HA 0.611 4.782 4.170 0.001 0.000 0.308 1194 I C -0.688 175.260 176.117 -0.283 0.000 1.093 1194 I CA -0.830 60.341 61.300 -0.214 0.000 1.001 1194 I CB 1.419 39.365 38.000 -0.091 0.000 1.245 1194 I HN 0.534 nan 8.210 nan 0.000 0.485 1195 H N 2.106 121.131 119.070 -0.074 0.000 2.646 1195 H HA 0.753 5.310 4.556 0.001 0.000 0.328 1195 H C -0.941 174.376 175.328 -0.019 0.000 0.998 1195 H CA -0.467 55.543 56.048 -0.062 0.000 1.225 1195 H CB 1.592 31.331 29.762 -0.037 0.000 1.457 1195 H HN 0.736 nan 8.280 nan 0.000 0.505 1196 I N 0.706 121.356 120.570 0.133 0.000 3.095 1196 I HA 0.543 4.714 4.170 0.001 0.000 0.310 1196 I C -2.837 173.359 176.117 0.132 0.000 1.196 1196 I CA -2.738 58.628 61.300 0.110 0.000 0.985 1196 I CB 2.976 41.041 38.000 0.108 0.000 1.250 1196 I HN 0.157 nan 8.210 nan 0.000 0.446 1197 P HA -0.019 nan 4.420 nan 0.000 0.270 1197 P C 0.251 177.628 177.300 0.128 0.000 1.242 1197 P CA 0.325 63.479 63.100 0.090 0.000 0.768 1197 P CB 0.372 32.081 31.700 0.016 0.000 0.820 1198 Y N 5.068 125.424 120.300 0.092 0.000 2.172 1198 Y HA -0.393 4.158 4.550 0.001 0.000 0.280 1198 Y C 2.367 178.250 175.900 -0.028 0.000 1.209 1198 Y CA 2.516 60.655 58.100 0.065 0.000 1.171 1198 Y CB -0.613 37.791 38.460 -0.093 0.000 0.965 1198 Y HN 0.492 nan 8.280 nan 0.000 0.520 1199 A N 0.324 123.256 122.820 0.186 0.000 1.859 1199 A HA -0.291 4.030 4.320 0.001 0.000 0.217 1199 A C 2.456 179.977 177.584 -0.105 0.000 1.198 1199 A CA 2.588 54.662 52.037 0.062 0.000 0.629 1199 A CB -1.733 17.271 19.000 0.007 0.000 0.830 1199 A HN 0.666 nan 8.150 nan 0.000 0.446 1200 A N -0.200 122.499 122.820 -0.201 0.000 1.892 1200 A HA -0.253 4.067 4.320 0.001 0.000 0.218 1200 A C 2.165 179.323 177.584 -0.710 0.000 1.188 1200 A CA 2.390 54.112 52.037 -0.524 0.000 0.631 1200 A CB -0.614 18.098 19.000 -0.481 0.000 0.822 1200 A HN 0.621 nan 8.150 nan 0.000 0.447 1201 K N -0.340 119.855 120.400 -0.342 0.000 2.059 1201 K HA -0.199 4.122 4.320 0.001 0.000 0.212 1201 K C 1.998 178.493 176.600 -0.174 0.000 1.050 1201 K CA 1.920 58.101 56.287 -0.177 0.000 0.927 1201 K CB -0.404 31.965 32.500 -0.218 0.000 0.714 1201 K HN 0.500 nan 8.250 nan 0.000 0.447 1202 L N 0.873 121.965 121.223 -0.218 0.000 2.017 1202 L HA -0.204 4.136 4.340 0.001 0.000 0.208 1202 L C 2.681 179.506 176.870 -0.075 0.000 1.073 1202 L CA 0.896 55.678 54.840 -0.097 0.000 0.745 1202 L CB -0.363 41.690 42.059 -0.010 0.000 0.894 1202 L HN 0.292 nan 8.230 nan 0.000 0.432 1203 L N -0.412 120.707 121.223 -0.174 0.000 2.021 1203 L HA -0.304 4.036 4.340 0.001 0.000 0.215 1203 L C 2.169 179.051 176.870 0.021 0.000 1.074 1203 L CA 2.021 56.780 54.840 -0.136 0.000 0.760 1203 L CB -0.645 41.248 42.059 -0.277 0.000 0.889 1203 L HN 0.116 nan 8.230 nan 0.000 0.433 1204 F N -0.718 119.228 119.950 -0.007 0.000 2.031 1204 F HA -0.281 4.246 4.527 0.001 0.000 0.295 1204 F C 2.686 178.484 175.800 -0.005 0.000 1.133 1204 F CA 1.236 59.232 58.000 -0.008 0.000 1.188 1204 F CB -0.625 38.368 39.000 -0.012 0.000 0.974 1204 F HN 0.091 nan 8.300 nan 0.000 0.473 1205 Q N 0.327 120.246 119.800 0.199 0.000 2.173 1205 Q HA -0.259 4.082 4.340 0.001 0.000 0.208 1205 Q C 1.927 177.974 176.000 0.079 0.000 0.989 1205 Q CA 2.043 57.910 55.803 0.107 0.000 0.872 1205 Q CB -0.234 28.543 28.738 0.066 0.000 0.909 1205 Q HN 0.541 nan 8.270 nan 0.000 0.420 1206 E N 0.186 120.428 120.200 0.069 0.000 2.072 1206 E HA -0.139 4.212 4.350 0.001 0.000 0.190 1206 E C 1.963 178.599 176.600 0.058 0.000 0.982 1206 E CA 0.683 57.114 56.400 0.052 0.000 0.803 1206 E CB -0.079 29.643 29.700 0.037 0.000 0.755 1206 E HN 0.338 nan 8.360 nan 0.000 0.453 1207 L N 0.412 121.684 121.223 0.082 0.000 2.265 1207 L HA -0.172 4.168 4.340 0.001 0.000 0.215 1207 L C 2.359 179.263 176.870 0.057 0.000 1.117 1207 L CA 0.789 55.674 54.840 0.076 0.000 0.782 1207 L CB -0.198 41.928 42.059 0.112 0.000 0.914 1207 L HN 0.250 nan 8.230 nan 0.000 0.441 1208 M N -1.127 118.510 119.600 0.061 0.000 2.191 1208 M HA -0.054 4.426 4.480 0.001 0.000 0.262 1208 M C 2.373 178.693 176.300 0.035 0.000 1.083 1208 M CA 1.485 56.810 55.300 0.042 0.000 1.154 1208 M CB -0.384 32.244 32.600 0.046 0.000 1.344 1208 M HN 0.204 nan 8.290 nan 0.000 0.431 1209 A N -0.093 122.750 122.820 0.038 0.000 2.234 1209 A HA -0.088 4.232 4.320 0.001 0.000 0.216 1209 A C 1.833 179.433 177.584 0.026 0.000 1.167 1209 A CA 1.207 53.263 52.037 0.031 0.000 0.698 1209 A CB -0.708 18.311 19.000 0.032 0.000 0.779 1209 A HN 0.519 nan 8.150 nan 0.000 0.475 1210 M N -1.637 117.980 119.600 0.027 0.000 2.404 1210 M HA 0.165 4.646 4.480 0.001 0.000 0.271 1210 M C 0.461 176.772 176.300 0.019 0.000 1.128 1210 M CA -0.005 55.308 55.300 0.022 0.000 0.982 1210 M CB -0.133 32.481 32.600 0.024 0.000 1.445 1210 M HN 0.621 nan 8.290 nan 0.000 0.495 1211 N N 1.273 119.985 118.700 0.019 0.000 2.829 1211 N HA -0.142 4.598 4.740 0.001 0.000 0.250 1211 N C -0.755 174.761 175.510 0.010 0.000 1.090 1211 N CA 0.086 53.145 53.050 0.014 0.000 0.781 1211 N CB -0.322 38.172 38.487 0.011 0.000 1.124 1211 N HN 0.340 nan 8.380 nan 0.000 0.559 1212 I N 1.476 122.054 120.570 0.013 0.000 2.412 1212 I HA 0.182 4.352 4.170 0.001 0.000 0.296 1212 I C 0.652 176.767 176.117 -0.003 0.000 0.987 1212 I CA -0.410 60.893 61.300 0.005 0.000 1.180 1212 I CB 1.755 39.762 38.000 0.012 0.000 1.340 1212 I HN 0.048 nan 8.210 nan 0.000 0.455 1213 T N 3.595 118.135 114.554 -0.023 0.000 2.781 1213 T HA 0.461 4.811 4.350 0.001 0.000 0.305 1213 T C -2.230 172.416 174.700 -0.089 0.000 1.001 1213 T CA -1.629 60.444 62.100 -0.046 0.000 0.950 1213 T CB 0.827 69.670 68.868 -0.041 0.000 0.955 1213 T HN 0.365 nan 8.240 nan 0.000 0.471 1214 P HA 0.336 nan 4.420 nan 0.000 0.253 1214 P C -0.383 176.732 177.300 -0.308 0.000 1.667 1214 P CA -0.701 62.251 63.100 -0.246 0.000 1.118 1214 P CB 0.559 32.056 31.700 -0.339 0.000 1.595 1215 R N 3.048 123.399 120.500 -0.248 0.000 2.389 1215 R HA 0.342 4.682 4.340 0.001 0.000 0.295 1215 R C 0.033 176.198 176.300 -0.225 0.000 1.075 1215 R CA -0.569 55.401 56.100 -0.217 0.000 1.005 1215 R CB 0.668 30.768 30.300 -0.333 0.000 0.987 1215 R HN 0.473 nan 8.270 nan 0.000 0.452 1216 L N 5.152 126.338 121.223 -0.062 0.000 2.295 1216 L HA 0.352 4.693 4.340 0.001 0.000 0.281 1216 L C -0.721 176.302 176.870 0.254 0.000 1.018 1216 L CA -0.575 54.254 54.840 -0.019 0.000 0.841 1216 L CB 0.246 42.248 42.059 -0.095 0.000 1.218 1216 L HN 0.425 nan 8.230 nan 0.000 0.424 1217 Y N 0.920 121.130 120.300 -0.149 0.000 2.429 1217 Y HA 0.296 4.846 4.550 0.001 0.000 0.342 1217 Y C 1.452 177.232 175.900 -0.200 0.000 1.004 1217 Y CA -1.282 56.718 58.100 -0.166 0.000 1.075 1217 Y CB 2.080 40.467 38.460 -0.123 0.000 1.214 1217 Y HN 0.566 nan 8.280 nan 0.000 0.455 1218 T N -2.705 111.725 114.554 -0.207 0.000 3.086 1218 T HA 0.190 4.540 4.350 0.001 0.000 0.250 1218 T C -0.582 174.014 174.700 -0.174 0.000 1.074 1218 T CA -0.038 61.904 62.100 -0.263 0.000 0.988 1218 T CB -0.517 68.021 68.868 -0.551 0.000 0.988 1218 T HN 0.525 nan 8.240 nan 0.000 0.530 1219 D N 0.513 120.853 120.400 -0.101 0.000 2.934 1219 D HA 0.347 4.988 4.640 0.001 0.000 0.230 1219 D C -0.336 175.971 176.300 0.012 0.000 1.204 1219 D CA -0.975 52.995 54.000 -0.049 0.000 0.873 1219 D CB 1.205 41.968 40.800 -0.061 0.000 1.645 1219 D HN 0.395 nan 8.370 nan 0.000 0.502 1220 R N 0.430 120.937 120.500 0.013 0.000 2.500 1220 R HA 0.639 4.980 4.340 0.001 0.000 0.275 1220 R C -0.102 176.218 176.300 0.034 0.000 1.051 1220 R CA -0.663 55.455 56.100 0.029 0.000 1.088 1220 R CB 0.889 31.204 30.300 0.025 0.000 1.063 1220 R HN 0.560 nan 8.270 nan 0.000 0.511 1221 S N 0.806 116.532 115.700 0.043 0.000 2.818 1221 S HA 0.018 4.488 4.470 0.001 0.000 0.251 1221 S C 1.719 176.343 174.600 0.041 0.000 1.083 1221 S CA -0.519 57.705 58.200 0.040 0.000 0.871 1221 S CB -0.101 63.130 63.200 0.052 0.000 0.831 1221 S HN 0.703 nan 8.310 nan 0.000 0.470 1222 R N 1.655 122.187 120.500 0.053 0.000 2.285 1222 R HA -0.043 4.297 4.340 0.001 0.000 0.213 1222 R C -0.137 176.235 176.300 0.120 0.000 1.068 1222 R CA 1.039 57.190 56.100 0.085 0.000 1.004 1222 R CB -0.507 29.847 30.300 0.090 0.000 0.873 1222 R HN 0.379 nan 8.270 nan 0.000 0.467 1223 D N -1.191 119.259 120.400 0.083 0.000 3.452 1223 D HA -0.323 4.317 4.640 0.001 0.000 0.164 1223 D C 0.362 176.776 176.300 0.190 0.000 1.074 1223 D CA 1.953 55.998 54.000 0.074 0.000 1.069 1223 D CB -0.726 40.068 40.800 -0.010 0.000 0.527 1223 D HN 0.177 nan 8.370 nan 0.000 0.558 1224 F N 0.000 119.947 119.950 -0.005 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.997 58.000 -0.005 0.000 1.383 1224 F CB 0.000 38.996 39.000 -0.007 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574