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 2uv8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKPEVEQELA HILLTELLAY QFASPVRWIE TQDVFLKDFN TERVVEIGPS DATA SEQUENCE PTLAGMAQRT LKNKYESYDA ALSLHREILC YSKDAKEIYY TPDPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXI ADEPVKASLL DATA SEQUENCE LHVLVAHKLK KSLDSIPMSK TIKDLVGGKX TVQNEILGDL GKEFGTTPEK DATA SEQUENCE PEETPLEELA ETFQDTFSGA LGKQSSSLLS RLISSKMPGG FTITVARKYL DATA SEQUENCE QTRWGLPSGR QDGVLLVALS NEPAARLGSE ADAKAFLDSM AQKYASIVGV DATA SEQUENCE DLXXXXXXXX XXXXXXXXXX XXXXXXXLEE ITKDHKVLAR QQLQVLARYL DATA SEQUENCE KMDLDNGERK FLKEKDTVAE LQAQLDYLNA ELGEFFVNGV ATSFSRKKAR DATA SEQUENCE TFDSSWNWAK QSLLSLYFEI IHGVLKNVDR EVVSEAINIM NRSNDALIKF DATA SEQUENCE MEYHISNTDE TKGENYQLVK TLGEQLIENC KQVLDVDPVY KDVAKPTGPK DATA SEQUENCE TAIDKNGNIT YSEEPREKVR KLSQYVQEMA LGGPITKESQ XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXMD DATA SEQUENCE VEDALDKDST KEVASLPNKS TISKTVSSTI PRETIPFLHL RKKTPAGDWK DATA SEQUENCE YDRQLSSLFL DGLEKAAFNG VTFKDKYVLI TGAGKGSIGA EVLQGLLQGG DATA SEQUENCE AKVVVTTSRF SKQVTDYYQS IYAKYGAKGS TLIVVPFNQG SKQDVEALIE DATA SEQUENCE FIYDTEKNGG LGWDLDAIIP FAAIPEQGIE LEHIDSKSEF AHRIMLTNIL DATA SEQUENCE RMMGCVKKQK SARGIETRPA QVILPMSPNH GTFGGDGMYS ESKLSLETLF DATA SEQUENCE NRWHSESWAN QLTVCGAIIG WTRGTXXXXX NNIIAEGIEK MGVRTFSQKE DATA SEQUENCE MAFNLLGLLT PEVVELCQKS PVMADLNGGL QFVPELKEFT AKLRKELVET DATA SEQUENCE SEVRKAVSIE TALEHKVVNG NSADAAYAQV EIQPRANIQL DFPELKPYKQ DATA SEQUENCE VKQIAPAELE GLLDLERVIV VTGFAEVGPW GSARTRWEME AFGEFSLEGC DATA SEQUENCE VEMAWIMGFI SYHNGNLKGR PYTGWVDSKT KEPVDDKDVK AKYETSILEH DATA SEQUENCE SGIRLIEPEL FNGYNPEKKE MIQEVIVEED LEPFEASKET AEQFKHQHGD DATA SEQUENCE KVDIFEIPET GEYSVKLLKG ATLYIPKALR FDRLVAGQIP TGWNAKTYGI DATA SEQUENCE SDDIISQVDP ITLFVLVSVV EAFIASGITD PYEMYKYVHV SEVGNCSGSG DATA SEQUENCE MGGVSALRGM FKDRFKDEPV QNDILQESFI NTMSAWVNML LISSSGPIKT DATA SEQUENCE PVGACATSVE SVDIGVETIL SGKARICIVG GYDDFQEEGS FEFGNMKATS DATA SEQUENCE NTLEEFEHGR TPAEMSRPAT TTRNGFMEAQ GAGIQIIMQA DLALKMGVPI DATA SEQUENCE YGIVAMAATA TDKIGRSVPA PGKGILTTAR EHHSSVKYAS PNLNMKYRKR DATA SEQUENCE QLVTREAQIK DWVENELEAL KLEAEEIPSE DQNEFLLERT REIHNEAESQ DATA SEQUENCE LRAAQQQWGN DFYKRDPRIA PLRGALATYG LTIDDLGVAS FHGTSTKAND DATA SEQUENCE KNESATINEM MKHLGRSEGN PVIGVFQKFL TGHPKGAAGA WMMNGALQIL DATA SEQUENCE NSGIIPGNRN ADNVDKILEQ FEYVLYPSKT LKTDGVRAVS ITSFGFGQKG DATA SEQUENCE GQAIVVHPDY LYGAITEDRY NEYVAKVSAR EKSAYKFFHN GMIYNKLFVS DATA SEQUENCE KEHAPYTDEL EEDVYLDPLA RVSKDKKSGS LTFNSKNIQS KDSYINA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 K N 4.368 124.774 120.400 0.010 0.000 2.379 2 K HA 0.267 4.585 4.320 -0.003 0.000 0.284 2 K C -2.138 174.468 176.600 0.010 0.000 1.044 2 K CA -1.104 55.188 56.287 0.009 0.000 0.974 2 K CB 1.044 33.548 32.500 0.007 0.000 0.962 2 K HN 0.231 nan 8.250 nan 0.000 0.474 3 P HA -0.228 nan 4.420 nan 0.000 0.217 3 P C 0.185 177.492 177.300 0.011 0.000 1.162 3 P CA 1.633 64.740 63.100 0.011 0.000 0.901 3 P CB 0.225 31.930 31.700 0.009 0.000 0.793 4 E N -0.954 119.250 120.200 0.008 0.000 2.077 4 E HA -0.119 4.229 4.350 -0.003 0.000 0.193 4 E C 2.060 178.663 176.600 0.005 0.000 0.989 4 E CA 0.846 57.249 56.400 0.005 0.000 0.800 4 E CB -1.261 28.439 29.700 0.000 0.000 0.746 4 E HN 0.014 nan 8.360 nan 0.000 0.452 5 V N 1.005 120.924 119.914 0.007 0.000 2.295 5 V HA -0.293 3.825 4.120 -0.003 0.000 0.246 5 V C 2.353 178.457 176.094 0.017 0.000 1.049 5 V CA 2.092 64.397 62.300 0.009 0.000 1.024 5 V CB -0.361 31.467 31.823 0.009 0.000 0.648 5 V HN 0.312 nan 8.190 nan 0.000 0.447 6 E N -0.599 119.612 120.200 0.019 0.000 2.038 6 E HA -0.290 4.058 4.350 -0.003 0.000 0.195 6 E C 2.301 178.922 176.600 0.036 0.000 1.000 6 E CA 1.779 58.195 56.400 0.026 0.000 0.803 6 E CB -0.125 29.589 29.700 0.023 0.000 0.750 6 E HN 0.628 nan 8.360 nan 0.000 0.448 7 Q N 0.328 120.148 119.800 0.034 0.000 1.978 7 Q HA -0.302 4.036 4.340 -0.003 0.000 0.211 7 Q C 2.243 178.283 176.000 0.066 0.000 1.013 7 Q CA 2.205 58.037 55.803 0.048 0.000 0.869 7 Q CB -0.339 28.419 28.738 0.033 0.000 0.953 7 Q HN 0.363 nan 8.270 nan 0.000 0.415 8 E N 0.093 120.309 120.200 0.028 0.000 2.136 8 E HA -0.261 4.087 4.350 -0.003 0.000 0.208 8 E C 2.057 178.689 176.600 0.055 0.000 1.035 8 E CA 1.556 57.957 56.400 0.002 0.000 0.838 8 E CB -0.161 29.527 29.700 -0.020 0.000 0.748 8 E HN 0.288 nan 8.360 nan 0.000 0.459 9 L N -0.069 121.188 121.223 0.056 0.000 1.988 9 L HA -0.139 4.199 4.340 -0.003 0.000 0.207 9 L C 2.692 179.614 176.870 0.088 0.000 1.071 9 L CA 1.138 56.017 54.840 0.065 0.000 0.744 9 L CB -0.514 41.572 42.059 0.045 0.000 0.893 9 L HN 0.214 nan 8.230 nan 0.000 0.433 10 A N -0.710 122.157 122.820 0.078 0.000 1.986 10 A HA -0.325 3.993 4.320 -0.003 0.000 0.220 10 A C 2.058 179.692 177.584 0.084 0.000 1.171 10 A CA 2.158 54.236 52.037 0.068 0.000 0.640 10 A CB -1.031 18.001 19.000 0.054 0.000 0.811 10 A HN 0.644 nan 8.150 nan 0.000 0.451 11 H N 0.525 119.602 119.070 0.012 0.000 2.256 11 H HA -0.133 4.421 4.556 -0.003 0.000 0.299 11 H C 1.941 177.275 175.328 0.010 0.000 1.071 11 H CA 2.340 58.393 56.048 0.008 0.000 1.280 11 H CB -0.339 29.426 29.762 0.005 0.000 1.370 11 H HN 0.519 nan 8.280 nan 0.000 0.490 12 I N -0.639 120.128 120.570 0.328 0.000 2.361 12 I HA -0.146 4.022 4.170 -0.003 0.000 0.251 12 I C 2.221 178.382 176.117 0.073 0.000 1.133 12 I CA 1.375 62.811 61.300 0.227 0.000 1.413 12 I CB -0.354 37.765 38.000 0.199 0.000 1.073 12 I HN 0.337 nan 8.210 nan 0.000 0.424 13 L N 1.179 122.441 121.223 0.063 0.000 2.042 13 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 13 L C 2.287 179.165 176.870 0.013 0.000 1.076 13 L CA 1.866 56.734 54.840 0.045 0.000 0.749 13 L CB -0.981 41.106 42.059 0.047 0.000 0.893 13 L HN 0.451 nan 8.230 nan 0.000 0.432 14 L N -0.828 120.376 121.223 -0.031 0.000 2.017 14 L HA -0.208 4.130 4.340 -0.003 0.000 0.208 14 L C 2.468 179.283 176.870 -0.092 0.000 1.073 14 L CA 2.543 57.344 54.840 -0.066 0.000 0.745 14 L CB -1.037 40.958 42.059 -0.107 0.000 0.894 14 L HN 0.612 nan 8.230 nan 0.000 0.432 15 T N -1.367 113.096 114.554 -0.151 0.000 2.867 15 T HA -0.148 4.200 4.350 -0.003 0.000 0.268 15 T C 1.717 176.375 174.700 -0.070 0.000 1.057 15 T CA 1.038 63.056 62.100 -0.135 0.000 1.136 15 T CB -0.071 68.695 68.868 -0.169 0.000 0.874 15 T HN 0.363 nan 8.240 nan 0.000 0.466 16 E N 1.201 121.390 120.200 -0.019 0.000 2.017 16 E HA -0.063 4.285 4.350 -0.003 0.000 0.193 16 E C 2.349 179.000 176.600 0.085 0.000 0.997 16 E CA 1.185 57.605 56.400 0.034 0.000 0.804 16 E CB -0.661 29.111 29.700 0.120 0.000 0.757 16 E HN 0.529 nan 8.360 nan 0.000 0.448 17 L N 0.576 121.847 121.223 0.080 0.000 2.081 17 L HA -0.231 4.107 4.340 -0.003 0.000 0.212 17 L C 2.609 179.515 176.870 0.061 0.000 1.080 17 L CA 1.022 55.916 54.840 0.089 0.000 0.754 17 L CB -0.456 41.636 42.059 0.055 0.000 0.893 17 L HN 0.098 nan 8.230 nan 0.000 0.433 18 L N -1.230 119.993 121.223 -0.000 0.000 2.131 18 L HA -0.076 4.262 4.340 -0.003 0.000 0.206 18 L C 2.830 179.665 176.870 -0.060 0.000 1.087 18 L CA 0.825 55.639 54.840 -0.043 0.000 0.767 18 L CB -0.643 41.369 42.059 -0.079 0.000 0.917 18 L HN 0.200 nan 8.230 nan 0.000 0.441 19 A N -0.276 122.500 122.820 -0.073 0.000 1.845 19 A HA -0.241 4.077 4.320 -0.003 0.000 0.215 19 A C 2.042 179.627 177.584 0.002 0.000 1.195 19 A CA 1.548 53.521 52.037 -0.107 0.000 0.616 19 A CB -1.065 17.780 19.000 -0.260 0.000 0.832 19 A HN 0.406 nan 8.150 nan 0.000 0.443 20 Y N -0.334 120.018 120.300 0.087 0.000 2.509 20 Y HA -0.138 4.410 4.550 -0.003 0.000 0.293 20 Y C 2.615 178.584 175.900 0.115 0.000 1.133 20 Y CA 0.817 58.980 58.100 0.104 0.000 1.283 20 Y CB 0.046 38.546 38.460 0.066 0.000 1.001 20 Y HN 0.454 nan 8.280 nan 0.000 0.555 21 Q N 0.103 120.034 119.800 0.219 0.000 2.248 21 Q HA -0.240 4.098 4.340 -0.003 0.000 0.208 21 Q C 1.821 177.939 176.000 0.198 0.000 0.984 21 Q CA 1.312 57.205 55.803 0.149 0.000 0.875 21 Q CB -0.340 28.432 28.738 0.057 0.000 0.910 21 Q HN 0.479 nan 8.270 nan 0.000 0.433 22 F N 0.283 120.272 119.950 0.066 0.000 2.154 22 F HA -0.219 4.306 4.527 -0.003 0.000 0.301 22 F C 2.126 177.958 175.800 0.054 0.000 1.087 22 F CA 1.393 59.420 58.000 0.045 0.000 1.274 22 F CB -0.656 38.365 39.000 0.035 0.000 1.009 22 F HN 0.198 nan 8.300 nan 0.000 0.485 23 A N -1.388 121.605 122.820 0.288 0.000 1.963 23 A HA 0.107 4.425 4.320 -0.003 0.000 0.211 23 A C 1.390 179.042 177.584 0.114 0.000 1.380 23 A CA 0.590 52.714 52.037 0.145 0.000 0.690 23 A CB -1.181 17.894 19.000 0.125 0.000 1.060 23 A HN 0.181 nan 8.150 nan 0.000 0.498 24 S N 0.993 116.761 115.700 0.114 0.000 2.550 24 S HA 0.248 4.716 4.470 -0.003 0.000 0.285 24 S C -2.275 172.375 174.600 0.084 0.000 1.326 24 S CA -0.752 57.495 58.200 0.078 0.000 1.037 24 S CB 0.051 63.293 63.200 0.070 0.000 0.838 24 S HN 0.255 nan 8.310 nan 0.000 0.519 25 P HA 0.277 nan 4.420 nan 0.000 0.276 25 P C -1.243 176.107 177.300 0.084 0.000 1.261 25 P CA -0.693 62.448 63.100 0.069 0.000 0.800 25 P CB 0.347 32.080 31.700 0.056 0.000 1.066 26 V N 2.087 122.055 119.914 0.089 0.000 2.353 26 V HA 0.206 4.324 4.120 -0.003 0.000 0.264 26 V C 0.997 177.192 176.094 0.168 0.000 1.049 26 V CA -0.317 62.057 62.300 0.122 0.000 0.896 26 V CB -0.350 31.525 31.823 0.087 0.000 1.025 26 V HN 0.389 nan 8.190 nan 0.000 0.475 27 R N 4.527 125.132 120.500 0.175 0.000 4.164 27 R HA 0.050 4.388 4.340 -0.003 0.000 0.195 27 R C 0.915 177.351 176.300 0.228 0.000 1.712 27 R CA -0.209 55.986 56.100 0.158 0.000 1.457 27 R CB 0.128 30.487 30.300 0.099 0.000 1.387 27 R HN 0.877 nan 8.270 nan 0.000 0.785 28 W N 1.801 123.124 121.300 0.039 0.000 2.518 28 W HA -0.057 4.601 4.660 -0.003 0.000 0.273 28 W C 1.131 177.672 176.519 0.036 0.000 1.247 28 W CA 0.630 58.007 57.345 0.052 0.000 1.288 28 W CB 0.205 29.697 29.460 0.054 0.000 1.107 28 W HN 0.327 nan 8.180 nan 0.000 0.586 29 I N 0.876 121.494 120.570 0.081 0.000 2.252 29 I HA -0.316 3.852 4.170 -0.003 0.000 0.245 29 I C 2.110 178.160 176.117 -0.112 0.000 1.102 29 I CA 1.539 62.821 61.300 -0.031 0.000 1.385 29 I CB -0.636 37.377 38.000 0.021 0.000 1.064 29 I HN -0.049 nan 8.210 nan 0.000 0.414 30 E N 0.484 120.644 120.200 -0.067 0.000 2.106 30 E HA -0.154 4.194 4.350 -0.003 0.000 0.192 30 E C 2.112 178.625 176.600 -0.146 0.000 0.984 30 E CA 1.674 58.024 56.400 -0.083 0.000 0.806 30 E CB -0.331 29.351 29.700 -0.031 0.000 0.750 30 E HN 0.455 nan 8.360 nan 0.000 0.458 31 T N 1.652 116.097 114.554 -0.182 0.000 2.674 31 T HA -0.189 4.159 4.350 -0.003 0.000 0.265 31 T C 1.938 176.365 174.700 -0.455 0.000 1.039 31 T CA 1.305 63.256 62.100 -0.248 0.000 1.150 31 T CB -0.245 68.429 68.868 -0.323 0.000 0.864 31 T HN 0.188 nan 8.240 nan 0.000 0.427 32 Q N 0.610 119.963 119.800 -0.746 0.000 2.112 32 Q HA -0.180 4.158 4.340 -0.003 0.000 0.206 32 Q C 2.057 177.444 176.000 -1.022 0.000 0.987 32 Q CA 1.537 56.658 55.803 -1.137 0.000 0.858 32 Q CB -0.255 28.035 28.738 -0.746 0.000 0.905 32 Q HN 0.484 nan 8.270 nan 0.000 0.420 33 D N -0.244 119.856 120.400 -0.500 0.000 2.219 33 D HA -0.094 4.544 4.640 -0.003 0.000 0.205 33 D C 1.924 178.061 176.300 -0.272 0.000 0.970 33 D CA 0.604 54.437 54.000 -0.278 0.000 0.851 33 D CB -0.074 40.650 40.800 -0.126 0.000 0.943 33 D HN 0.047 nan 8.370 nan 0.000 0.488 34 V N 1.182 120.947 119.914 -0.248 0.000 2.261 34 V HA -0.235 3.883 4.120 -0.003 0.000 0.246 34 V C 2.217 178.329 176.094 0.031 0.000 1.047 34 V CA 1.845 64.079 62.300 -0.110 0.000 1.015 34 V CB -0.646 31.189 31.823 0.020 0.000 0.642 34 V HN 0.238 nan 8.190 nan 0.000 0.446 35 F N -1.178 118.829 119.950 0.094 0.000 2.416 35 F HA 0.170 4.695 4.527 -0.003 0.000 0.296 35 F C 1.886 177.711 175.800 0.043 0.000 1.099 35 F CA 0.920 59.055 58.000 0.224 0.000 1.427 35 F CB -0.858 38.178 39.000 0.060 0.000 1.079 35 F HN 0.005 nan 8.300 nan 0.000 0.536 36 L N 0.225 121.132 121.223 -0.526 0.000 2.109 36 L HA -0.034 4.304 4.340 -0.003 0.000 0.207 36 L C 2.591 179.283 176.870 -0.296 0.000 1.086 36 L CA 1.663 56.203 54.840 -0.500 0.000 0.760 36 L CB -0.334 41.128 42.059 -0.995 0.000 0.910 36 L HN 0.247 nan 8.230 nan 0.000 0.437 37 K N -0.996 119.284 120.400 -0.201 0.000 2.325 37 K HA -0.022 4.296 4.320 -0.003 0.000 0.203 37 K C 1.524 178.092 176.600 -0.053 0.000 1.128 37 K CA 0.302 56.523 56.287 -0.109 0.000 0.931 37 K CB 0.373 32.808 32.500 -0.108 0.000 1.125 37 K HN -0.004 nan 8.250 nan 0.000 0.487 38 D N 0.171 120.491 120.400 -0.133 0.000 2.144 38 D HA -0.096 4.542 4.640 -0.003 0.000 0.200 38 D C 1.305 177.448 176.300 -0.260 0.000 0.978 38 D CA 1.174 55.027 54.000 -0.246 0.000 0.833 38 D CB 0.042 40.581 40.800 -0.434 0.000 0.961 38 D HN 0.183 nan 8.370 nan 0.000 0.470 39 F N 0.227 120.197 119.950 0.033 0.000 2.656 39 F HA 0.173 4.698 4.527 -0.003 0.000 0.291 39 F C 0.563 176.399 175.800 0.061 0.000 1.122 39 F CA -0.070 57.962 58.000 0.053 0.000 1.427 39 F CB -0.127 38.917 39.000 0.074 0.000 1.125 39 F HN -0.214 nan 8.300 nan 0.000 0.583 40 N N 1.378 120.211 118.700 0.223 0.000 2.696 40 N HA -0.159 4.579 4.740 -0.003 0.000 0.256 40 N C -0.376 175.223 175.510 0.149 0.000 1.031 40 N CA 0.891 54.047 53.050 0.176 0.000 0.730 40 N CB -1.623 36.973 38.487 0.182 0.000 0.894 40 N HN 0.097 nan 8.380 nan 0.000 0.544 41 T N 0.483 115.133 114.554 0.159 0.000 2.928 41 T HA 0.062 4.410 4.350 -0.003 0.000 0.305 41 T C 1.622 176.351 174.700 0.048 0.000 1.035 41 T CA 0.165 62.331 62.100 0.110 0.000 1.145 41 T CB 1.165 70.127 68.868 0.157 0.000 0.963 41 T HN 0.228 nan 8.240 nan 0.000 0.545 42 E N 1.543 121.748 120.200 0.008 0.000 2.340 42 E HA 0.115 4.463 4.350 -0.003 0.000 0.198 42 E C 0.681 177.231 176.600 -0.084 0.000 0.961 42 E CA 0.206 56.578 56.400 -0.048 0.000 0.905 42 E CB 0.548 30.223 29.700 -0.041 0.000 0.884 42 E HN 0.319 nan 8.360 nan 0.000 0.491 43 R N 1.437 121.905 120.500 -0.053 0.000 2.352 43 R HA 0.278 4.616 4.340 -0.003 0.000 0.304 43 R C -1.425 174.834 176.300 -0.069 0.000 1.104 43 R CA -0.272 55.790 56.100 -0.064 0.000 0.991 43 R CB 1.968 32.236 30.300 -0.053 0.000 1.140 43 R HN -0.087 nan 8.270 nan 0.000 0.540 44 V N 5.354 125.235 119.914 -0.056 0.000 2.364 44 V HA 0.369 4.487 4.120 -0.003 0.000 0.272 44 V C -0.574 175.475 176.094 -0.075 0.000 1.036 44 V CA -0.347 61.901 62.300 -0.087 0.000 0.880 44 V CB 1.448 33.264 31.823 -0.012 0.000 0.991 44 V HN 0.353 nan 8.190 nan 0.000 0.460 45 V N 6.919 126.772 119.914 -0.102 0.000 2.398 45 V HA 0.437 4.555 4.120 -0.003 0.000 0.286 45 V C 0.079 176.146 176.094 -0.045 0.000 1.026 45 V CA -0.550 61.708 62.300 -0.069 0.000 0.868 45 V CB 1.738 33.510 31.823 -0.085 0.000 0.982 45 V HN 0.986 nan 8.190 nan 0.000 0.443 46 E N 5.538 125.738 120.200 -0.001 0.000 2.174 46 E HA 0.433 4.781 4.350 -0.003 0.000 0.282 46 E C -0.952 175.672 176.600 0.040 0.000 0.992 46 E CA -0.567 55.845 56.400 0.021 0.000 0.803 46 E CB 1.084 30.810 29.700 0.043 0.000 1.090 46 E HN 0.649 nan 8.360 nan 0.000 0.396 47 I N 5.210 125.785 120.570 0.008 0.000 2.361 47 I HA 0.472 4.640 4.170 -0.003 0.000 0.282 47 I C 0.310 176.398 176.117 -0.049 0.000 1.075 47 I CA -0.380 60.911 61.300 -0.015 0.000 1.205 47 I CB 0.722 38.681 38.000 -0.069 0.000 1.406 47 I HN 0.621 nan 8.210 nan 0.000 0.481 48 G N 5.833 114.621 108.800 -0.020 0.000 2.608 48 G HA2 0.437 4.395 3.960 -0.003 0.000 0.291 48 G HA3 0.437 4.395 3.960 -0.003 0.000 0.291 48 G C -2.668 172.230 174.900 -0.003 0.000 1.425 48 G CA -0.529 44.550 45.100 -0.035 0.000 0.787 48 G HN 0.182 nan 8.290 nan 0.000 0.484 49 P HA 0.014 nan 4.420 nan 0.000 0.215 49 P C 1.045 178.361 177.300 0.026 0.000 1.157 49 P CA 1.764 64.868 63.100 0.005 0.000 0.868 49 P CB 0.149 31.842 31.700 -0.011 0.000 0.788 50 S N -3.378 112.332 115.700 0.017 0.000 2.704 50 S HA 0.583 5.051 4.470 -0.003 0.000 0.296 50 S C -2.787 171.827 174.600 0.024 0.000 1.138 50 S CA -1.583 56.631 58.200 0.022 0.000 0.875 50 S CB 1.366 64.574 63.200 0.012 0.000 1.151 50 S HN -0.212 nan 8.310 nan 0.000 0.500 51 P HA 0.224 nan 4.420 nan 0.000 0.236 51 P C 1.079 178.399 177.300 0.035 0.000 1.709 51 P CA -0.124 62.997 63.100 0.034 0.000 0.942 51 P CB -0.385 31.336 31.700 0.035 0.000 1.615 52 T N -2.882 111.685 114.554 0.021 0.000 2.770 52 T HA -0.088 4.260 4.350 -0.003 0.000 0.263 52 T C 1.694 176.418 174.700 0.040 0.000 1.039 52 T CA 0.879 62.989 62.100 0.017 0.000 1.142 52 T CB -1.116 67.745 68.868 -0.012 0.000 0.868 52 T HN 0.070 nan 8.240 nan 0.000 0.435 53 L N 0.784 122.032 121.223 0.041 0.000 2.362 53 L HA 0.160 4.498 4.340 -0.003 0.000 0.219 53 L C 3.084 180.070 176.870 0.193 0.000 1.134 53 L CA 0.639 55.552 54.840 0.121 0.000 0.807 53 L CB -0.579 41.542 42.059 0.103 0.000 0.927 53 L HN 0.451 nan 8.230 nan 0.000 0.447 54 A N 0.154 123.047 122.820 0.121 0.000 1.843 54 A HA -0.012 4.306 4.320 -0.003 0.000 0.213 54 A C 2.356 180.003 177.584 0.105 0.000 1.202 54 A CA 1.209 53.312 52.037 0.111 0.000 0.607 54 A CB -1.223 17.820 19.000 0.072 0.000 0.847 54 A HN 0.360 nan 8.150 nan 0.000 0.445 55 G N -0.695 108.155 108.800 0.083 0.000 2.479 55 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.220 55 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.220 55 G C 1.531 176.486 174.900 0.092 0.000 1.115 55 G CA 1.322 46.467 45.100 0.074 0.000 0.757 55 G HN 0.465 nan 8.290 nan 0.000 0.560 56 M N 0.745 120.421 119.600 0.126 0.000 2.064 56 M HA 0.135 4.613 4.480 -0.003 0.000 0.260 56 M C 2.824 179.221 176.300 0.161 0.000 1.073 56 M CA 1.797 57.197 55.300 0.167 0.000 1.124 56 M CB -0.089 32.663 32.600 0.255 0.000 1.326 56 M HN 0.219 nan 8.290 nan 0.000 0.410 57 A N -0.468 122.464 122.820 0.187 0.000 2.125 57 A HA -0.192 4.126 4.320 -0.003 0.000 0.219 57 A C 1.906 179.529 177.584 0.066 0.000 1.156 57 A CA 1.525 53.636 52.037 0.123 0.000 0.671 57 A CB -0.687 18.431 19.000 0.197 0.000 0.794 57 A HN 0.722 nan 8.150 nan 0.000 0.459 58 Q N -0.818 119.028 119.800 0.078 0.000 2.033 58 Q HA -0.098 4.240 4.340 -0.003 0.000 0.196 58 Q C 2.350 178.386 176.000 0.061 0.000 0.970 58 Q CA 1.208 57.048 55.803 0.061 0.000 0.828 58 Q CB -0.138 28.637 28.738 0.061 0.000 0.895 58 Q HN 0.637 nan 8.270 nan 0.000 0.440 59 R N 0.104 120.644 120.500 0.066 0.000 2.096 59 R HA -0.125 4.213 4.340 -0.003 0.000 0.240 59 R C 2.412 178.754 176.300 0.070 0.000 1.139 59 R CA 1.975 58.113 56.100 0.064 0.000 0.952 59 R CB -0.570 29.768 30.300 0.064 0.000 0.854 59 R HN 0.228 nan 8.270 nan 0.000 0.436 60 T N 1.444 116.041 114.554 0.071 0.000 2.737 60 T HA -0.168 4.180 4.350 -0.003 0.000 0.269 60 T C 1.794 176.583 174.700 0.149 0.000 1.040 60 T CA 1.236 63.385 62.100 0.082 0.000 1.142 60 T CB -0.184 68.703 68.868 0.030 0.000 0.861 60 T HN 0.144 nan 8.240 nan 0.000 0.456 61 L N 0.280 121.563 121.223 0.100 0.000 2.027 61 L HA -0.048 4.290 4.340 -0.003 0.000 0.206 61 L C 2.761 179.731 176.870 0.167 0.000 1.074 61 L CA 1.344 56.272 54.840 0.147 0.000 0.745 61 L CB -0.421 41.664 42.059 0.043 0.000 0.898 61 L HN 0.193 nan 8.230 nan 0.000 0.433 62 K N 0.091 120.554 120.400 0.104 0.000 2.097 62 K HA -0.146 4.172 4.320 -0.003 0.000 0.205 62 K C 1.777 178.417 176.600 0.068 0.000 1.050 62 K CA 1.271 57.606 56.287 0.081 0.000 0.938 62 K CB 0.103 32.640 32.500 0.061 0.000 0.718 62 K HN 0.273 nan 8.250 nan 0.000 0.442 63 N N 0.540 119.279 118.700 0.066 0.000 2.396 63 N HA -0.080 4.658 4.740 -0.003 0.000 0.180 63 N C 0.778 176.288 175.510 0.001 0.000 1.028 63 N CA 1.080 54.151 53.050 0.034 0.000 0.893 63 N CB 0.278 38.785 38.487 0.033 0.000 0.967 63 N HN 0.263 nan 8.380 nan 0.000 0.440 64 K N -1.749 118.655 120.400 0.006 0.000 2.658 64 K HA 0.179 4.497 4.320 -0.003 0.000 0.202 64 K C 0.239 176.647 176.600 -0.321 0.000 1.563 64 K CA 0.007 56.187 56.287 -0.179 0.000 1.129 64 K CB 0.532 32.862 32.500 -0.283 0.000 1.507 64 K HN 0.005 nan 8.250 nan 0.000 0.581 65 Y N 1.368 121.654 120.300 -0.023 0.000 2.485 65 Y HA 0.126 4.674 4.550 -0.003 0.000 0.260 65 Y C 1.730 177.673 175.900 0.073 0.000 1.173 65 Y CA -0.152 57.958 58.100 0.017 0.000 1.252 65 Y CB 0.481 38.937 38.460 -0.006 0.000 1.123 65 Y HN 0.025 nan 8.280 nan 0.000 0.524 66 E N 0.636 120.913 120.200 0.129 0.000 2.086 66 E HA -0.268 4.080 4.350 -0.003 0.000 0.205 66 E C 2.389 179.049 176.600 0.100 0.000 1.027 66 E CA 2.240 58.699 56.400 0.098 0.000 0.830 66 E CB -0.235 29.496 29.700 0.053 0.000 0.751 66 E HN 0.225 nan 8.360 nan 0.000 0.456 67 S N -2.013 113.740 115.700 0.087 0.000 2.387 67 S HA -0.065 4.403 4.470 -0.003 0.000 0.221 67 S C 1.833 176.504 174.600 0.118 0.000 1.041 67 S CA 0.651 58.898 58.200 0.078 0.000 0.959 67 S CB -0.668 62.560 63.200 0.047 0.000 0.843 67 S HN 0.473 nan 8.310 nan 0.000 0.488 68 Y N 2.636 122.946 120.300 0.018 0.000 2.069 68 Y HA -0.262 4.286 4.550 -0.003 0.000 0.278 68 Y C 1.937 177.882 175.900 0.075 0.000 1.175 68 Y CA 2.529 60.656 58.100 0.045 0.000 1.134 68 Y CB -0.688 37.819 38.460 0.078 0.000 0.965 68 Y HN 0.304 nan 8.280 nan 0.000 0.498 69 D N -0.196 120.376 120.400 0.286 0.000 2.092 69 D HA -0.231 4.407 4.640 -0.003 0.000 0.193 69 D C 2.317 178.654 176.300 0.063 0.000 0.994 69 D CA 1.680 55.783 54.000 0.172 0.000 0.828 69 D CB -0.865 40.052 40.800 0.195 0.000 0.963 69 D HN 0.481 nan 8.370 nan 0.000 0.450 70 A N 1.079 123.937 122.820 0.064 0.000 1.849 70 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 70 A C 2.333 179.915 177.584 -0.003 0.000 1.202 70 A CA 3.065 55.121 52.037 0.033 0.000 0.629 70 A CB -1.217 17.804 19.000 0.034 0.000 0.834 70 A HN 0.258 nan 8.150 nan 0.000 0.447 71 A N -0.575 122.229 122.820 -0.026 0.000 1.865 71 A HA -0.070 4.248 4.320 -0.003 0.000 0.217 71 A C 2.040 179.574 177.584 -0.083 0.000 1.191 71 A CA 1.636 53.641 52.037 -0.054 0.000 0.623 71 A CB -0.755 18.206 19.000 -0.066 0.000 0.826 71 A HN 0.502 nan 8.150 nan 0.000 0.444 72 L N 1.101 122.234 121.223 -0.150 0.000 2.622 72 L HA -0.052 4.286 4.340 -0.003 0.000 0.233 72 L C 1.255 178.080 176.870 -0.075 0.000 1.156 72 L CA 0.616 55.358 54.840 -0.163 0.000 0.866 72 L CB -0.588 41.273 42.059 -0.329 0.000 0.980 72 L HN 0.726 nan 8.230 nan 0.000 0.448 73 S N 0.052 115.731 115.700 -0.036 0.000 3.559 73 S HA -0.186 4.282 4.470 -0.003 0.000 0.369 73 S C -0.114 174.503 174.600 0.029 0.000 0.987 73 S CA 0.616 58.818 58.200 0.003 0.000 1.187 73 S CB -2.654 60.546 63.200 -0.001 0.000 0.914 73 S HN 0.372 nan 8.310 nan 0.000 0.480 74 L N -0.408 120.840 121.223 0.041 0.000 2.280 74 L HA 0.625 4.963 4.340 -0.003 0.000 0.287 74 L C 0.248 177.190 176.870 0.120 0.000 1.023 74 L CA -0.877 54.006 54.840 0.071 0.000 0.819 74 L CB 0.807 42.901 42.059 0.059 0.000 1.212 74 L HN 0.437 nan 8.230 nan 0.000 0.420 75 H N 4.407 123.497 119.070 0.034 0.000 2.800 75 H HA 0.404 4.958 4.556 -0.003 0.000 0.291 75 H C -0.766 174.586 175.328 0.041 0.000 1.076 75 H CA -0.516 55.553 56.048 0.036 0.000 1.452 75 H CB 0.760 30.540 29.762 0.030 0.000 1.461 75 H HN 0.712 nan 8.280 nan 0.000 0.488 76 R N 4.036 124.422 120.500 -0.190 0.000 2.540 76 R HA 0.240 4.578 4.340 -0.003 0.000 0.287 76 R C -0.499 175.589 176.300 -0.353 0.000 0.980 76 R CA -0.702 55.259 56.100 -0.232 0.000 0.966 76 R CB 1.679 31.940 30.300 -0.065 0.000 1.106 76 R HN 0.689 nan 8.270 nan 0.000 0.480 77 E N 2.842 122.880 120.200 -0.270 0.000 2.241 77 E HA 0.296 4.643 4.350 -0.003 0.000 0.263 77 E C -1.169 175.390 176.600 -0.067 0.000 0.882 77 E CA -0.489 55.810 56.400 -0.168 0.000 0.769 77 E CB 1.453 31.044 29.700 -0.180 0.000 1.185 77 E HN 0.430 nan 8.360 nan 0.000 0.415 78 I N 5.945 126.503 120.570 -0.020 0.000 2.355 78 I HA 0.322 4.490 4.170 -0.003 0.000 0.288 78 I C -0.724 175.395 176.117 0.002 0.000 0.999 78 I CA -0.441 60.860 61.300 0.001 0.000 1.163 78 I CB 0.823 38.839 38.000 0.028 0.000 1.316 78 I HN 0.326 nan 8.210 nan 0.000 0.454 79 L N 6.277 127.493 121.223 -0.011 0.000 2.362 79 L HA 0.516 4.854 4.340 -0.003 0.000 0.275 79 L C -0.763 176.104 176.870 -0.005 0.000 0.998 79 L CA -0.620 54.208 54.840 -0.020 0.000 0.820 79 L CB 2.263 44.288 42.059 -0.058 0.000 1.270 79 L HN 0.569 nan 8.230 nan 0.000 0.415 80 C N 1.791 121.096 119.300 0.008 0.000 2.303 80 C HA 0.253 4.711 4.460 -0.003 0.000 0.326 80 C C 1.485 176.509 174.990 0.056 0.000 1.285 80 C CA -0.509 58.534 59.018 0.041 0.000 1.675 80 C CB 0.321 28.089 27.740 0.045 0.000 2.289 80 C HN 0.906 nan 8.230 nan 0.000 0.512 81 Y N 3.775 124.061 120.300 -0.023 0.000 2.193 81 Y HA -0.182 4.366 4.550 -0.003 0.000 0.285 81 Y C 2.517 178.428 175.900 0.018 0.000 1.166 81 Y CA 2.464 60.559 58.100 -0.007 0.000 1.181 81 Y CB 0.091 38.543 38.460 -0.013 0.000 0.976 81 Y HN 0.829 nan 8.280 nan 0.000 0.520 82 S N -0.042 115.805 115.700 0.244 0.000 2.359 82 S HA -0.271 4.197 4.470 -0.003 0.000 0.222 82 S C 1.819 176.459 174.600 0.067 0.000 1.038 82 S CA 2.223 60.519 58.200 0.160 0.000 1.051 82 S CB -0.267 62.992 63.200 0.097 0.000 0.944 82 S HN 0.615 nan 8.310 nan 0.000 0.433 83 K N -0.481 119.937 120.400 0.030 0.000 2.391 83 K HA 0.197 4.515 4.320 -0.003 0.000 0.197 83 K C -0.442 176.147 176.600 -0.018 0.000 1.087 83 K CA 0.229 56.520 56.287 0.007 0.000 1.012 83 K CB 0.512 33.021 32.500 0.015 0.000 0.925 83 K HN 0.295 nan 8.250 nan 0.000 0.547 84 D N 1.060 121.437 120.400 -0.039 0.000 3.088 84 D HA 0.176 4.814 4.640 -0.003 0.000 0.310 84 D C 0.608 176.849 176.300 -0.098 0.000 1.351 84 D CA -0.035 53.933 54.000 -0.053 0.000 0.921 84 D CB 1.115 41.889 40.800 -0.043 0.000 1.045 84 D HN 0.055 nan 8.370 nan 0.000 0.504 85 A N 1.141 123.902 122.820 -0.098 0.000 1.855 85 A HA -0.197 4.121 4.320 -0.003 0.000 0.215 85 A C 2.143 179.730 177.584 0.004 0.000 1.191 85 A CA 1.018 53.006 52.037 -0.082 0.000 0.613 85 A CB -0.020 18.917 19.000 -0.105 0.000 0.829 85 A HN 0.075 nan 8.150 nan 0.000 0.442 86 K N -0.091 120.299 120.400 -0.017 0.000 2.089 86 K HA -0.224 4.094 4.320 -0.003 0.000 0.210 86 K C 1.704 178.300 176.600 -0.007 0.000 1.048 86 K CA 2.060 58.349 56.287 0.004 0.000 0.926 86 K CB -0.390 32.112 32.500 0.002 0.000 0.714 86 K HN 0.588 nan 8.250 nan 0.000 0.448 87 E N 0.103 120.272 120.200 -0.051 0.000 2.299 87 E HA 0.060 4.408 4.350 -0.003 0.000 0.193 87 E C 1.978 178.409 176.600 -0.281 0.000 0.998 87 E CA 0.366 56.713 56.400 -0.089 0.000 0.851 87 E CB 0.048 29.718 29.700 -0.049 0.000 0.795 87 E HN 0.283 nan 8.360 nan 0.000 0.492 88 I N -0.815 119.574 120.570 -0.301 0.000 2.494 88 I HA -0.139 4.029 4.170 -0.003 0.000 0.250 88 I C 1.088 176.814 176.117 -0.651 0.000 1.112 88 I CA 0.795 61.802 61.300 -0.488 0.000 1.438 88 I CB 0.065 37.798 38.000 -0.445 0.000 1.111 88 I HN 0.106 nan 8.210 nan 0.000 0.431 89 Y N -0.462 119.637 120.300 -0.335 0.000 2.490 89 Y HA 0.028 4.576 4.550 -0.003 0.000 0.281 89 Y C -0.206 175.650 175.900 -0.074 0.000 1.174 89 Y CA -0.380 57.602 58.100 -0.197 0.000 1.295 89 Y CB -0.255 38.132 38.460 -0.122 0.000 1.062 89 Y HN 0.048 nan 8.280 nan 0.000 0.522 90 Y N 0.126 120.475 120.300 0.082 0.000 3.125 90 Y HA -0.237 4.310 4.550 -0.003 0.000 0.200 90 Y C 0.156 176.088 175.900 0.053 0.000 1.373 90 Y CA 0.360 58.490 58.100 0.049 0.000 1.180 90 Y CB -2.497 35.982 38.460 0.032 0.000 1.381 90 Y HN 0.179 nan 8.280 nan 0.000 0.501 91 T N -0.839 113.812 114.554 0.162 0.000 3.038 91 T HA 0.696 5.044 4.350 -0.003 0.000 0.344 91 T C -2.551 172.186 174.700 0.060 0.000 1.054 91 T CA -1.536 60.622 62.100 0.097 0.000 1.092 91 T CB 3.144 72.049 68.868 0.062 0.000 1.031 91 T HN -0.025 nan 8.240 nan 0.000 0.482 92 P HA 0.706 nan 4.420 nan 0.000 0.314 92 P C -0.951 176.364 177.300 0.025 0.000 1.306 92 P CA -0.590 62.535 63.100 0.042 0.000 0.782 92 P CB 0.906 32.637 31.700 0.051 0.000 1.337 93 D N -0.876 119.535 120.400 0.019 0.000 2.277 93 D HA 0.422 5.060 4.640 -0.003 0.000 0.250 93 D C -1.572 174.735 176.300 0.012 0.000 1.032 93 D CA -0.640 53.367 54.000 0.012 0.000 0.947 93 D CB -1.443 39.361 40.800 0.008 0.000 1.159 93 D HN 0.268 nan 8.370 nan 0.000 0.460 141 A N 2.149 124.984 122.820 0.025 0.000 2.473 141 A HA 0.300 4.618 4.320 -0.003 0.000 0.282 141 A C -0.173 177.434 177.584 0.037 0.000 1.163 141 A CA 0.202 52.254 52.037 0.024 0.000 0.827 141 A CB -0.555 18.457 19.000 0.019 0.000 1.098 141 A HN 0.589 nan 8.150 nan 0.000 0.515 142 D N 2.690 123.109 120.400 0.033 0.000 2.363 142 D HA 0.136 4.774 4.640 -0.003 0.000 0.263 142 D C -0.097 176.229 176.300 0.043 0.000 1.258 142 D CA 0.527 54.550 54.000 0.039 0.000 0.907 142 D CB 0.450 41.266 40.800 0.027 0.000 1.107 142 D HN 0.447 nan 8.370 nan 0.000 0.495 143 E N 4.226 124.466 120.200 0.066 0.000 2.204 143 E HA 0.407 4.755 4.350 -0.003 0.000 0.276 143 E C -2.101 174.541 176.600 0.069 0.000 0.974 143 E CA -2.237 54.203 56.400 0.067 0.000 0.815 143 E CB 0.985 30.740 29.700 0.092 0.000 1.119 143 E HN 0.330 nan 8.360 nan 0.000 0.393 144 P HA 0.026 nan 4.420 nan 0.000 0.274 144 P C -0.397 176.959 177.300 0.092 0.000 1.260 144 P CA -0.458 62.667 63.100 0.041 0.000 0.793 144 P CB 0.382 32.067 31.700 -0.026 0.000 1.048 145 V N -2.150 117.848 119.914 0.140 0.000 2.583 145 V HA 0.345 4.463 4.120 -0.003 0.000 0.287 145 V C 0.243 176.514 176.094 0.295 0.000 1.051 145 V CA -0.508 61.932 62.300 0.234 0.000 1.010 145 V CB 0.085 32.076 31.823 0.279 0.000 0.988 145 V HN 0.280 nan 8.190 nan 0.000 0.478 146 K N 2.766 123.333 120.400 0.278 0.000 2.118 146 K HA 0.604 4.922 4.320 -0.003 0.000 0.264 146 K C 1.244 178.124 176.600 0.468 0.000 1.000 146 K CA -0.026 56.432 56.287 0.286 0.000 0.929 146 K CB 1.747 34.350 32.500 0.172 0.000 1.021 146 K HN 0.849 nan 8.250 nan 0.000 0.463 147 A N 1.386 124.552 122.820 0.577 0.000 2.067 147 A HA -0.144 4.174 4.320 -0.003 0.000 0.219 147 A C 2.188 179.960 177.584 0.313 0.000 1.158 147 A CA 1.877 54.258 52.037 0.574 0.000 0.661 147 A CB -0.349 18.976 19.000 0.542 0.000 0.801 147 A HN 0.752 nan 8.150 nan 0.000 0.452 148 S N -0.559 115.290 115.700 0.248 0.000 2.345 148 S HA -0.092 4.375 4.470 -0.003 0.000 0.220 148 S C 1.917 176.653 174.600 0.227 0.000 1.031 148 S CA 1.308 59.632 58.200 0.206 0.000 0.996 148 S CB -0.351 62.940 63.200 0.153 0.000 0.882 148 S HN 0.462 nan 8.310 nan 0.000 0.445 149 L N 0.775 122.118 121.223 0.201 0.000 2.201 149 L HA 0.044 4.382 4.340 -0.003 0.000 0.212 149 L C 2.209 179.192 176.870 0.189 0.000 1.105 149 L CA 1.319 56.264 54.840 0.175 0.000 0.775 149 L CB -0.708 41.449 42.059 0.164 0.000 0.913 149 L HN 0.441 nan 8.230 nan 0.000 0.440 150 L N -0.699 120.647 121.223 0.206 0.000 2.162 150 L HA -0.087 4.251 4.340 -0.003 0.000 0.205 150 L C 2.135 179.121 176.870 0.193 0.000 1.086 150 L CA 1.198 56.127 54.840 0.147 0.000 0.778 150 L CB -0.456 41.644 42.059 0.067 0.000 0.928 150 L HN 0.189 nan 8.230 nan 0.000 0.446 151 L N -1.294 120.095 121.223 0.278 0.000 2.217 151 L HA -0.124 4.214 4.340 -0.003 0.000 0.211 151 L C 2.304 179.275 176.870 0.169 0.000 1.107 151 L CA 1.669 56.654 54.840 0.242 0.000 0.783 151 L CB -0.598 41.575 42.059 0.189 0.000 0.919 151 L HN 0.433 nan 8.230 nan 0.000 0.442 152 H N -2.005 117.134 119.070 0.114 0.000 2.317 152 H HA -0.052 4.502 4.556 -0.003 0.000 0.304 152 H C 2.155 177.531 175.328 0.080 0.000 1.067 152 H CA 1.822 57.924 56.048 0.089 0.000 1.352 152 H CB 0.135 29.945 29.762 0.080 0.000 1.398 152 H HN 0.119 nan 8.280 nan 0.000 0.510 153 V N 0.757 120.816 119.914 0.242 0.000 2.392 153 V HA -0.267 3.851 4.120 -0.003 0.000 0.249 153 V C 2.375 178.542 176.094 0.122 0.000 1.059 153 V CA 1.730 64.116 62.300 0.144 0.000 1.051 153 V CB -0.501 31.369 31.823 0.079 0.000 0.658 153 V HN 0.405 nan 8.190 nan 0.000 0.455 154 L N -0.932 120.361 121.223 0.116 0.000 2.131 154 L HA -0.067 4.271 4.340 -0.003 0.000 0.206 154 L C 2.316 179.252 176.870 0.110 0.000 1.087 154 L CA 0.859 55.767 54.840 0.114 0.000 0.767 154 L CB -0.349 41.753 42.059 0.073 0.000 0.917 154 L HN 0.180 nan 8.230 nan 0.000 0.441 155 V N -0.382 119.578 119.914 0.076 0.000 2.788 155 V HA -0.057 4.061 4.120 -0.003 0.000 0.251 155 V C 2.483 178.600 176.094 0.037 0.000 1.068 155 V CA 1.321 63.642 62.300 0.034 0.000 1.090 155 V CB -0.140 31.673 31.823 -0.016 0.000 0.710 155 V HN 0.406 nan 8.190 nan 0.000 0.467 156 A N -1.509 121.353 122.820 0.070 0.000 2.067 156 A HA -0.166 4.152 4.320 -0.003 0.000 0.217 156 A C 2.103 179.780 177.584 0.155 0.000 1.156 156 A CA 1.353 53.452 52.037 0.103 0.000 0.683 156 A CB -0.687 18.409 19.000 0.159 0.000 0.808 156 A HN 0.697 nan 8.150 nan 0.000 0.455 157 H N -0.882 118.211 119.070 0.038 0.000 2.355 157 H HA 0.020 4.574 4.556 -0.003 0.000 0.303 157 H C 1.969 177.307 175.328 0.017 0.000 1.061 157 H CA 1.335 57.400 56.048 0.029 0.000 1.368 157 H CB 0.180 29.958 29.762 0.026 0.000 1.412 157 H HN 0.388 nan 8.280 nan 0.000 0.523 158 K N 0.613 121.019 120.400 0.010 0.000 2.442 158 K HA -0.018 4.300 4.320 -0.003 0.000 0.198 158 K C 1.631 178.213 176.600 -0.030 0.000 1.042 158 K CA 0.561 56.810 56.287 -0.064 0.000 0.958 158 K CB 0.109 32.591 32.500 -0.030 0.000 0.766 158 K HN 0.321 nan 8.250 nan 0.000 0.474 159 L N -0.624 120.604 121.223 0.009 0.000 2.609 159 L HA 0.185 4.523 4.340 -0.003 0.000 0.230 159 L C 0.186 177.070 176.870 0.024 0.000 1.087 159 L CA -0.090 54.757 54.840 0.013 0.000 0.874 159 L CB 0.103 42.173 42.059 0.018 0.000 1.114 159 L HN 0.046 nan 8.230 nan 0.000 0.488 160 K N 0.668 121.095 120.400 0.046 0.000 3.192 160 K HA -0.142 4.176 4.320 -0.003 0.000 0.278 160 K C -0.519 176.119 176.600 0.063 0.000 1.164 160 K CA 0.764 57.089 56.287 0.062 0.000 0.816 160 K CB -1.179 31.339 32.500 0.030 0.000 1.256 160 K HN 0.272 nan 8.250 nan 0.000 0.497 161 K N 0.782 121.224 120.400 0.069 0.000 2.427 161 K HA 0.243 4.561 4.320 -0.003 0.000 0.252 161 K C 0.198 176.847 176.600 0.082 0.000 0.931 161 K CA -0.493 55.832 56.287 0.064 0.000 0.793 161 K CB 1.969 34.499 32.500 0.050 0.000 1.211 161 K HN 0.191 nan 8.250 nan 0.000 0.426 162 S N 1.296 117.042 115.700 0.076 0.000 2.549 162 S HA -0.083 4.385 4.470 -0.003 0.000 0.278 162 S C 1.196 175.866 174.600 0.116 0.000 1.344 162 S CA -0.223 58.027 58.200 0.084 0.000 1.025 162 S CB 0.089 63.328 63.200 0.064 0.000 0.851 162 S HN 0.589 nan 8.310 nan 0.000 0.530 163 L N -1.261 120.044 121.223 0.136 0.000 2.675 163 L HA 0.320 4.658 4.340 -0.003 0.000 0.238 163 L C 0.926 177.906 176.870 0.183 0.000 1.155 163 L CA 0.937 55.919 54.840 0.238 0.000 0.881 163 L CB -0.743 41.447 42.059 0.219 0.000 1.008 163 L HN 0.472 nan 8.230 nan 0.000 0.443 164 D N -0.459 120.003 120.400 0.104 0.000 2.216 164 D HA -0.026 4.612 4.640 -0.003 0.000 0.208 164 D C 2.187 178.542 176.300 0.091 0.000 0.960 164 D CA 1.021 55.068 54.000 0.078 0.000 0.861 164 D CB 0.143 40.969 40.800 0.045 0.000 0.985 164 D HN 0.353 nan 8.370 nan 0.000 0.493 165 S N 0.006 115.758 115.700 0.087 0.000 2.442 165 S HA -0.003 4.465 4.470 -0.003 0.000 0.236 165 S C 0.993 175.638 174.600 0.075 0.000 1.007 165 S CA 0.448 58.690 58.200 0.070 0.000 0.965 165 S CB 0.036 63.271 63.200 0.058 0.000 0.773 165 S HN 0.206 nan 8.310 nan 0.000 0.504 166 I N 2.799 123.440 120.570 0.118 0.000 2.328 166 I HA 0.289 4.457 4.170 -0.003 0.000 0.287 166 I C -2.733 173.466 176.117 0.137 0.000 1.012 166 I CA -2.461 58.889 61.300 0.082 0.000 1.195 166 I CB 1.574 39.568 38.000 -0.009 0.000 1.350 166 I HN -0.114 nan 8.210 nan 0.000 0.464 167 P HA 0.299 nan 4.420 nan 0.000 0.287 167 P C 0.414 177.750 177.300 0.060 0.000 1.281 167 P CA -0.511 62.646 63.100 0.095 0.000 0.781 167 P CB 0.940 32.673 31.700 0.056 0.000 0.903 168 M N 0.791 120.461 119.600 0.116 0.000 2.700 168 M HA -0.094 4.384 4.480 -0.003 0.000 0.249 168 M C 1.249 177.570 176.300 0.035 0.000 1.082 168 M CA 1.051 56.385 55.300 0.056 0.000 1.077 168 M CB -0.569 32.110 32.600 0.132 0.000 1.477 168 M HN 0.325 nan 8.290 nan 0.000 0.529 169 S N 0.389 116.112 115.700 0.039 0.000 2.355 169 S HA -0.056 4.412 4.470 -0.003 0.000 0.222 169 S C 1.114 175.721 174.600 0.011 0.000 1.031 169 S CA 0.976 59.191 58.200 0.024 0.000 0.993 169 S CB -0.066 63.150 63.200 0.027 0.000 0.859 169 S HN 0.441 nan 8.310 nan 0.000 0.453 170 K N 0.665 121.070 120.400 0.008 0.000 2.181 170 K HA 0.197 4.515 4.320 -0.003 0.000 0.239 170 K C 0.509 177.104 176.600 -0.008 0.000 1.073 170 K CA 0.273 56.560 56.287 -0.000 0.000 0.839 170 K CB 0.145 32.644 32.500 -0.001 0.000 1.116 170 K HN 0.211 nan 8.250 nan 0.000 0.518 171 T N -1.250 113.299 114.554 -0.008 0.000 2.930 171 T HA 0.320 4.668 4.350 -0.003 0.000 0.290 171 T C 1.259 175.954 174.700 -0.009 0.000 1.052 171 T CA -0.773 61.321 62.100 -0.010 0.000 1.017 171 T CB 0.678 69.541 68.868 -0.009 0.000 1.137 171 T HN 0.457 nan 8.240 nan 0.000 0.511 172 I N 1.455 122.021 120.570 -0.007 0.000 2.493 172 I HA -0.047 4.120 4.170 -0.003 0.000 0.254 172 I C 2.580 178.697 176.117 -0.001 0.000 1.160 172 I CA 1.035 62.334 61.300 -0.002 0.000 1.445 172 I CB -0.134 37.871 38.000 0.007 0.000 1.086 172 I HN 0.694 nan 8.210 nan 0.000 0.433 173 K N 0.605 121.005 120.400 -0.001 0.000 2.103 173 K HA -0.175 4.143 4.320 -0.003 0.000 0.204 173 K C 1.501 178.101 176.600 -0.001 0.000 1.052 173 K CA 1.434 57.721 56.287 -0.001 0.000 0.945 173 K CB 0.084 32.583 32.500 -0.001 0.000 0.722 173 K HN 0.167 nan 8.250 nan 0.000 0.443 174 D N 0.420 120.819 120.400 -0.001 0.000 2.194 174 D HA -0.048 4.590 4.640 -0.003 0.000 0.204 174 D C 1.648 177.948 176.300 -0.000 0.000 0.964 174 D CA 0.698 54.698 54.000 -0.000 0.000 0.846 174 D CB 0.138 40.938 40.800 -0.000 0.000 0.962 174 D HN 0.119 nan 8.370 nan 0.000 0.490 175 L N -0.196 121.025 121.223 -0.003 0.000 2.291 175 L HA -0.052 4.286 4.340 -0.003 0.000 0.214 175 L C 2.127 178.997 176.870 -0.000 0.000 1.120 175 L CA 0.310 55.148 54.840 -0.003 0.000 0.799 175 L CB 0.025 42.077 42.059 -0.011 0.000 0.925 175 L HN -0.029 nan 8.230 nan 0.000 0.446 176 V N -0.685 119.229 119.914 -0.000 0.000 2.426 176 V HA 0.090 4.208 4.120 -0.003 0.000 0.242 176 V C 1.895 177.989 176.094 0.001 0.000 1.036 176 V CA 1.637 63.937 62.300 0.000 0.000 1.044 176 V CB 0.136 31.959 31.823 0.000 0.000 0.688 176 V HN 0.652 nan 8.190 nan 0.000 0.462 177 G N -1.036 107.765 108.800 0.001 0.000 2.490 177 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.214 177 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.214 177 G C 0.947 175.848 174.900 0.001 0.000 1.151 177 G CA 0.385 45.486 45.100 0.002 0.000 0.684 177 G HN 1.328 nan 8.290 nan 0.000 0.518 178 G N -0.049 108.751 108.800 0.001 0.000 4.242 178 G HA2 0.242 4.200 3.960 -0.003 0.000 0.159 178 G HA3 0.242 4.200 3.960 -0.003 0.000 0.159 178 G C 0.477 175.377 174.900 -0.000 0.000 0.921 178 G CA 0.818 45.918 45.100 0.000 0.000 0.910 178 G HN 0.692 nan 8.290 nan 0.000 0.419 182 V N 2.494 122.405 119.914 -0.006 0.000 3.041 182 V HA 0.024 4.142 4.120 -0.003 0.000 0.260 182 V C 2.374 178.467 176.094 -0.001 0.000 1.105 182 V CA 1.766 64.061 62.300 -0.007 0.000 1.125 182 V CB -0.402 31.416 31.823 -0.008 0.000 0.730 182 V HN 0.446 nan 8.190 nan 0.000 0.479 183 Q N 0.557 120.358 119.800 0.002 0.000 2.137 183 Q HA -0.152 4.186 4.340 -0.003 0.000 0.198 183 Q C 1.994 178.000 176.000 0.010 0.000 0.960 183 Q CA 1.177 56.984 55.803 0.006 0.000 0.847 183 Q CB -0.003 28.739 28.738 0.006 0.000 0.915 183 Q HN 0.569 nan 8.270 nan 0.000 0.448 184 N N 0.863 119.567 118.700 0.006 0.000 2.309 184 N HA -0.126 4.612 4.740 -0.003 0.000 0.182 184 N C 1.231 176.745 175.510 0.007 0.000 1.018 184 N CA 1.117 54.172 53.050 0.008 0.000 0.876 184 N CB 0.081 38.571 38.487 0.004 0.000 0.972 184 N HN 0.398 nan 8.380 nan 0.000 0.434 185 E N 0.266 120.468 120.200 0.002 0.000 2.060 185 E HA 0.052 4.400 4.350 -0.003 0.000 0.189 185 E C 1.954 178.557 176.600 0.005 0.000 0.974 185 E CA 0.462 56.861 56.400 -0.002 0.000 0.808 185 E CB 0.023 29.715 29.700 -0.014 0.000 0.768 185 E HN 0.289 nan 8.360 nan 0.000 0.453 186 I N 1.397 121.973 120.570 0.011 0.000 2.361 186 I HA -0.270 3.898 4.170 -0.003 0.000 0.251 186 I C 2.310 178.453 176.117 0.043 0.000 1.133 186 I CA 0.913 62.228 61.300 0.025 0.000 1.413 186 I CB -0.240 37.776 38.000 0.026 0.000 1.073 186 I HN 0.125 nan 8.210 nan 0.000 0.424 187 L N 0.381 121.628 121.223 0.040 0.000 2.027 187 L HA -0.099 4.239 4.340 -0.003 0.000 0.206 187 L C 2.656 179.559 176.870 0.054 0.000 1.074 187 L CA 1.797 56.670 54.840 0.055 0.000 0.745 187 L CB -1.165 40.920 42.059 0.042 0.000 0.898 187 L HN 0.326 nan 8.230 nan 0.000 0.433 188 G N -0.991 107.828 108.800 0.032 0.000 2.448 188 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.218 188 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.218 188 G C 1.074 175.982 174.900 0.013 0.000 1.135 188 G CA 0.397 45.510 45.100 0.023 0.000 0.784 188 G HN 0.269 nan 8.290 nan 0.000 0.543 189 D N 0.566 120.972 120.400 0.010 0.000 2.123 189 D HA -0.016 4.622 4.640 -0.003 0.000 0.200 189 D C 2.582 178.871 176.300 -0.017 0.000 0.976 189 D CA 0.383 54.379 54.000 -0.008 0.000 0.831 189 D CB -0.144 40.654 40.800 -0.004 0.000 0.974 189 D HN 0.273 nan 8.370 nan 0.000 0.469 190 L N -0.024 121.218 121.223 0.032 0.000 2.275 190 L HA 0.032 4.370 4.340 -0.003 0.000 0.215 190 L C 2.366 179.262 176.870 0.044 0.000 1.119 190 L CA 0.867 55.745 54.840 0.064 0.000 0.790 190 L CB -0.456 41.703 42.059 0.166 0.000 0.919 190 L HN 0.066 nan 8.230 nan 0.000 0.443 191 G N -0.066 108.761 108.800 0.045 0.000 2.394 191 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.214 191 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.214 191 G C 1.658 176.551 174.900 -0.012 0.000 1.176 191 G CA 0.171 45.298 45.100 0.045 0.000 0.786 191 G HN 0.211 nan 8.290 nan 0.000 0.533 192 K N -0.061 120.314 120.400 -0.043 0.000 2.360 192 K HA -0.049 4.269 4.320 -0.003 0.000 0.201 192 K C 2.232 178.742 176.600 -0.150 0.000 1.046 192 K CA 1.115 57.358 56.287 -0.073 0.000 0.945 192 K CB 0.122 32.583 32.500 -0.065 0.000 0.750 192 K HN 0.320 nan 8.250 nan 0.000 0.464 193 E N -0.389 119.669 120.200 -0.236 0.000 2.065 193 E HA -0.006 4.342 4.350 -0.003 0.000 0.191 193 E C 1.111 177.299 176.600 -0.685 0.000 0.960 193 E CA 1.113 57.204 56.400 -0.515 0.000 0.824 193 E CB 0.065 29.351 29.700 -0.690 0.000 0.793 193 E HN 0.140 nan 8.360 nan 0.000 0.459 194 F N -1.268 118.459 119.950 -0.371 0.000 2.622 194 F HA 0.389 4.914 4.527 -0.003 0.000 0.288 194 F C 1.827 177.559 175.800 -0.113 0.000 1.120 194 F CA 0.554 58.328 58.000 -0.375 0.000 1.423 194 F CB 0.733 39.192 39.000 -0.901 0.000 1.127 194 F HN 0.296 nan 8.300 nan 0.000 0.588 195 G N -0.238 108.613 108.800 0.086 0.000 2.454 195 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.225 195 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.225 195 G C 0.552 175.549 174.900 0.162 0.000 1.138 195 G CA 0.298 45.459 45.100 0.102 0.000 0.667 195 G HN 0.211 nan 8.290 nan 0.000 0.512 196 T N 3.131 117.840 114.554 0.259 0.000 2.747 196 T HA 0.524 4.872 4.350 -0.003 0.000 0.301 196 T C 0.147 175.042 174.700 0.325 0.000 0.952 196 T CA 0.483 62.737 62.100 0.257 0.000 0.983 196 T CB 1.184 70.202 68.868 0.250 0.000 0.930 196 T HN 0.307 nan 8.240 nan 0.000 0.494 197 T N 7.488 122.161 114.554 0.198 0.000 2.727 197 T HA 0.259 4.607 4.350 -0.003 0.000 0.295 197 T C -1.450 173.283 174.700 0.055 0.000 0.915 197 T CA -1.073 61.123 62.100 0.161 0.000 1.066 197 T CB 0.296 69.232 68.868 0.113 0.000 0.891 197 T HN 0.438 nan 8.240 nan 0.000 0.516 198 P HA 0.152 nan 4.420 nan 0.000 0.272 198 P C 0.616 177.889 177.300 -0.045 0.000 1.248 198 P CA -0.258 62.782 63.100 -0.099 0.000 0.799 198 P CB 1.168 32.730 31.700 -0.230 0.000 0.997 199 E N -0.328 119.844 120.200 -0.046 0.000 2.299 199 E HA -0.040 4.308 4.350 -0.003 0.000 0.193 199 E C 0.116 176.703 176.600 -0.021 0.000 0.998 199 E CA 0.806 57.192 56.400 -0.024 0.000 0.851 199 E CB 0.090 29.777 29.700 -0.022 0.000 0.795 199 E HN 0.437 nan 8.360 nan 0.000 0.492 200 K N 0.656 121.036 120.400 -0.034 0.000 2.679 200 K HA 0.186 4.504 4.320 -0.003 0.000 0.188 200 K C -2.380 174.202 176.600 -0.030 0.000 1.055 200 K CA -1.367 54.904 56.287 -0.026 0.000 1.006 200 K CB 1.693 34.177 32.500 -0.027 0.000 1.317 200 K HN -0.134 nan 8.250 nan 0.000 0.584 201 P HA -0.180 nan 4.420 nan 0.000 0.217 201 P C 0.324 177.624 177.300 0.001 0.000 1.150 201 P CA 1.219 64.317 63.100 -0.003 0.000 0.832 201 P CB 0.306 32.029 31.700 0.038 0.000 0.787 202 E N -0.531 119.671 120.200 0.003 0.000 2.418 202 E HA -0.092 4.256 4.350 -0.003 0.000 0.197 202 E C 1.460 178.058 176.600 -0.005 0.000 1.026 202 E CA 0.865 57.267 56.400 0.003 0.000 0.862 202 E CB -0.357 29.346 29.700 0.005 0.000 0.799 202 E HN 0.441 nan 8.360 nan 0.000 0.518 203 E N -0.064 120.129 120.200 -0.012 0.000 2.444 203 E HA 0.093 4.441 4.350 -0.003 0.000 0.203 203 E C 0.013 176.599 176.600 -0.023 0.000 0.847 203 E CA 0.128 56.519 56.400 -0.015 0.000 1.142 203 E CB 0.431 30.122 29.700 -0.014 0.000 1.125 203 E HN -0.059 nan 8.360 nan 0.000 0.521 204 T N 5.113 119.646 114.554 -0.034 0.000 2.778 204 T HA 0.039 4.387 4.350 -0.003 0.000 0.282 204 T C -2.410 172.264 174.700 -0.044 0.000 0.983 204 T CA -0.695 61.376 62.100 -0.049 0.000 1.193 204 T CB 0.198 69.018 68.868 -0.079 0.000 0.938 204 T HN -0.064 nan 8.240 nan 0.000 0.523 205 P HA 0.151 nan 4.420 nan 0.000 0.271 205 P C 1.017 178.301 177.300 -0.026 0.000 1.233 205 P CA -0.405 62.681 63.100 -0.024 0.000 0.789 205 P CB 0.576 32.267 31.700 -0.016 0.000 0.951 206 L N 0.652 121.866 121.223 -0.015 0.000 2.093 206 L HA -0.172 4.166 4.340 -0.003 0.000 0.208 206 L C 2.064 178.940 176.870 0.011 0.000 1.085 206 L CA 1.751 56.587 54.840 -0.006 0.000 0.755 206 L CB -0.644 41.402 42.059 -0.022 0.000 0.904 206 L HN 0.461 nan 8.230 nan 0.000 0.435 207 E N 0.008 120.219 120.200 0.018 0.000 2.150 207 E HA -0.199 4.149 4.350 -0.003 0.000 0.193 207 E C 1.861 178.459 176.600 -0.003 0.000 0.985 207 E CA 0.962 57.378 56.400 0.027 0.000 0.814 207 E CB 0.040 29.758 29.700 0.029 0.000 0.752 207 E HN 0.528 nan 8.360 nan 0.000 0.466 208 E N 0.193 120.377 120.200 -0.026 0.000 2.371 208 E HA -0.024 4.324 4.350 -0.003 0.000 0.194 208 E C 1.875 178.409 176.600 -0.111 0.000 1.012 208 E CA 0.211 56.578 56.400 -0.055 0.000 0.860 208 E CB 0.237 29.907 29.700 -0.050 0.000 0.811 208 E HN 0.245 nan 8.360 nan 0.000 0.502 209 L N 0.283 121.432 121.223 -0.123 0.000 2.202 209 L HA 0.064 4.402 4.340 -0.003 0.000 0.205 209 L C 2.388 179.112 176.870 -0.244 0.000 1.083 209 L CA 0.451 55.139 54.840 -0.254 0.000 0.790 209 L CB -0.068 41.882 42.059 -0.182 0.000 0.942 209 L HN 0.098 nan 8.230 nan 0.000 0.452 210 A N -0.436 122.352 122.820 -0.054 0.000 2.019 210 A HA -0.213 4.105 4.320 -0.003 0.000 0.219 210 A C 2.061 179.660 177.584 0.025 0.000 1.164 210 A CA 1.389 53.447 52.037 0.035 0.000 0.644 210 A CB -0.321 18.732 19.000 0.088 0.000 0.805 210 A HN 0.423 nan 8.150 nan 0.000 0.449 211 E N -0.703 119.480 120.200 -0.027 0.000 2.031 211 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 211 E C 2.081 178.651 176.600 -0.050 0.000 0.994 211 E CA 1.774 58.160 56.400 -0.024 0.000 0.800 211 E CB -0.250 29.426 29.700 -0.039 0.000 0.752 211 E HN 0.621 nan 8.360 nan 0.000 0.447 212 T N 0.492 114.952 114.554 -0.157 0.000 2.788 212 T HA -0.132 4.216 4.350 -0.003 0.000 0.268 212 T C 1.550 176.163 174.700 -0.146 0.000 1.044 212 T CA 1.049 63.023 62.100 -0.210 0.000 1.139 212 T CB -0.325 68.316 68.868 -0.379 0.000 0.867 212 T HN 0.158 nan 8.240 nan 0.000 0.454 213 F N 0.821 120.704 119.950 -0.112 0.000 2.367 213 F HA 0.009 4.534 4.527 -0.003 0.000 0.298 213 F C 2.745 178.624 175.800 0.132 0.000 1.094 213 F CA 0.149 58.060 58.000 -0.148 0.000 1.409 213 F CB -0.048 38.523 39.000 -0.716 0.000 1.064 213 F HN 0.081 nan 8.300 nan 0.000 0.528 214 Q N 1.082 121.061 119.800 0.299 0.000 2.167 214 Q HA -0.170 4.168 4.340 -0.003 0.000 0.202 214 Q C 1.333 177.426 176.000 0.155 0.000 0.970 214 Q CA 1.827 57.795 55.803 0.275 0.000 0.855 214 Q CB -0.379 28.453 28.738 0.156 0.000 0.911 214 Q HN 0.229 nan 8.270 nan 0.000 0.438 215 D N -0.512 119.962 120.400 0.123 0.000 2.133 215 D HA -0.148 4.490 4.640 -0.003 0.000 0.195 215 D C 1.553 177.916 176.300 0.104 0.000 0.997 215 D CA 2.223 56.271 54.000 0.081 0.000 0.840 215 D CB -0.435 40.400 40.800 0.057 0.000 0.947 215 D HN 0.573 nan 8.370 nan 0.000 0.452 216 T N -2.524 112.140 114.554 0.183 0.000 3.040 216 T HA 0.135 4.483 4.350 -0.003 0.000 0.250 216 T C 0.472 175.330 174.700 0.264 0.000 1.058 216 T CA -0.526 61.692 62.100 0.196 0.000 0.988 216 T CB -0.239 68.754 68.868 0.208 0.000 0.993 216 T HN 0.120 nan 8.240 nan 0.000 0.519 217 F N 2.594 122.639 119.950 0.159 0.000 2.492 217 F HA 0.722 5.247 4.527 -0.003 0.000 0.327 217 F C -0.871 174.999 175.800 0.116 0.000 1.079 217 F CA -1.258 56.837 58.000 0.159 0.000 0.967 217 F CB 2.070 41.231 39.000 0.268 0.000 1.169 217 F HN 0.053 nan 8.300 nan 0.000 0.472 218 S N 2.654 118.181 115.700 -0.289 0.000 2.706 218 S HA 0.510 4.978 4.470 -0.003 0.000 0.270 218 S C 0.119 174.636 174.600 -0.137 0.000 1.163 218 S CA -0.353 57.602 58.200 -0.410 0.000 1.042 218 S CB 0.603 63.699 63.200 -0.175 0.000 1.079 218 S HN 2.224 nan 8.310 nan 0.000 0.474 219 G N 1.796 110.513 108.800 -0.139 0.000 2.186 219 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.266 219 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.266 219 G C 0.522 175.538 174.900 0.195 0.000 0.982 219 G CA 0.203 45.351 45.100 0.080 0.000 0.670 219 G HN 1.923 nan 8.290 nan 0.000 0.533 220 A N -0.125 122.901 122.820 0.343 0.000 2.396 220 A HA 0.695 5.013 4.320 -0.003 0.000 0.279 220 A C 1.347 179.008 177.584 0.128 0.000 1.165 220 A CA 0.065 52.236 52.037 0.222 0.000 0.824 220 A CB 0.341 19.472 19.000 0.219 0.000 1.100 220 A HN 0.633 nan 8.150 nan 0.000 0.516 221 L N 2.735 123.979 121.223 0.035 0.000 2.465 221 L HA 0.113 4.451 4.340 -0.003 0.000 0.224 221 L C 1.439 178.222 176.870 -0.146 0.000 1.145 221 L CA 1.060 55.877 54.840 -0.038 0.000 0.834 221 L CB -0.646 41.401 42.059 -0.020 0.000 0.944 221 L HN 1.154 nan 8.230 nan 0.000 0.451 222 G N -0.111 108.592 108.800 -0.162 0.000 2.755 222 G HA2 -0.287 3.670 3.960 -0.003 0.000 0.686 222 G HA3 -0.287 3.670 3.960 -0.003 0.000 0.686 222 G C 0.201 174.999 174.900 -0.169 0.000 1.427 222 G CA 0.063 45.015 45.100 -0.247 0.000 0.873 222 G HN 0.147 nan 8.290 nan 0.000 0.580 223 K N -0.196 120.107 120.400 -0.163 0.000 2.031 223 K HA -0.080 4.238 4.320 -0.003 0.000 0.205 223 K C 2.584 179.124 176.600 -0.100 0.000 1.049 223 K CA 1.859 58.083 56.287 -0.106 0.000 0.939 223 K CB -0.108 32.339 32.500 -0.089 0.000 0.717 223 K HN 0.454 nan 8.250 nan 0.000 0.438 224 Q N 0.180 119.903 119.800 -0.129 0.000 2.230 224 Q HA -0.044 4.294 4.340 -0.003 0.000 0.202 224 Q C 1.839 177.789 176.000 -0.082 0.000 0.963 224 Q CA 1.547 57.292 55.803 -0.098 0.000 0.866 224 Q CB -0.088 28.585 28.738 -0.108 0.000 0.931 224 Q HN 0.162 nan 8.270 nan 0.000 0.452 225 S N -1.419 114.208 115.700 -0.123 0.000 2.425 225 S HA 0.030 4.498 4.470 -0.003 0.000 0.225 225 S C 1.821 176.385 174.600 -0.061 0.000 1.024 225 S CA 0.929 59.073 58.200 -0.093 0.000 0.951 225 S CB -0.213 62.901 63.200 -0.143 0.000 0.796 225 S HN 0.451 nan 8.310 nan 0.000 0.498 226 S N 0.606 116.266 115.700 -0.067 0.000 2.423 226 S HA -0.009 4.459 4.470 -0.003 0.000 0.231 226 S C 1.974 176.558 174.600 -0.025 0.000 1.014 226 S CA 1.050 59.224 58.200 -0.042 0.000 0.965 226 S CB -0.335 62.839 63.200 -0.044 0.000 0.785 226 S HN 0.574 nan 8.310 nan 0.000 0.495 227 S N 0.856 116.540 115.700 -0.026 0.000 2.395 227 S HA 0.178 4.646 4.470 -0.003 0.000 0.225 227 S C 1.660 176.264 174.600 0.007 0.000 1.027 227 S CA 0.433 58.626 58.200 -0.011 0.000 0.965 227 S CB -0.204 62.987 63.200 -0.015 0.000 0.812 227 S HN 0.423 nan 8.310 nan 0.000 0.482 228 L N 0.901 122.132 121.223 0.014 0.000 2.217 228 L HA 0.072 4.410 4.340 -0.003 0.000 0.211 228 L C 2.017 178.902 176.870 0.024 0.000 1.107 228 L CA 0.715 55.584 54.840 0.049 0.000 0.783 228 L CB -0.240 41.867 42.059 0.080 0.000 0.919 228 L HN 0.342 nan 8.230 nan 0.000 0.442 229 L N -1.886 119.339 121.223 0.003 0.000 2.209 229 L HA -0.036 4.302 4.340 -0.003 0.000 0.207 229 L C 2.397 179.275 176.870 0.014 0.000 1.094 229 L CA 0.518 55.359 54.840 0.002 0.000 0.790 229 L CB -0.184 41.870 42.059 -0.007 0.000 0.932 229 L HN 0.089 nan 8.230 nan 0.000 0.447 230 S N -0.596 115.111 115.700 0.011 0.000 2.496 230 S HA -0.043 4.425 4.470 -0.003 0.000 0.224 230 S C 1.977 176.586 174.600 0.016 0.000 0.996 230 S CA 0.499 58.707 58.200 0.014 0.000 0.927 230 S CB 0.013 63.217 63.200 0.007 0.000 0.774 230 S HN 0.308 nan 8.310 nan 0.000 0.524 231 R N 0.838 121.349 120.500 0.018 0.000 2.093 231 R HA 0.061 4.399 4.340 -0.003 0.000 0.224 231 R C 2.214 178.526 176.300 0.021 0.000 1.101 231 R CA 0.832 56.945 56.100 0.021 0.000 0.979 231 R CB -0.261 30.058 30.300 0.031 0.000 0.877 231 R HN 0.367 nan 8.270 nan 0.000 0.441 232 L N 0.623 121.859 121.223 0.023 0.000 2.156 232 L HA -0.036 4.301 4.340 -0.003 0.000 0.208 232 L C 1.811 178.685 176.870 0.008 0.000 1.095 232 L CA 1.464 56.312 54.840 0.013 0.000 0.770 232 L CB -0.190 41.877 42.059 0.013 0.000 0.914 232 L HN 0.168 nan 8.230 nan 0.000 0.439 233 I N -0.801 119.786 120.570 0.028 0.000 2.439 233 I HA -0.154 4.014 4.170 -0.003 0.000 0.251 233 I C 2.530 178.667 176.117 0.034 0.000 1.139 233 I CA 1.465 62.793 61.300 0.047 0.000 1.438 233 I CB -0.870 37.169 38.000 0.065 0.000 1.085 233 I HN 0.451 nan 8.210 nan 0.000 0.427 234 S N 0.549 116.260 115.700 0.019 0.000 2.377 234 S HA -0.083 4.385 4.470 -0.003 0.000 0.223 234 S C 2.092 176.691 174.600 -0.002 0.000 1.030 234 S CA 1.628 59.835 58.200 0.012 0.000 0.970 234 S CB 0.011 63.217 63.200 0.010 0.000 0.830 234 S HN 0.550 nan 8.310 nan 0.000 0.473 235 S N -0.638 115.054 115.700 -0.013 0.000 2.503 235 S HA 0.348 4.816 4.470 -0.003 0.000 0.215 235 S C 1.433 176.001 174.600 -0.053 0.000 1.003 235 S CA -0.132 58.053 58.200 -0.026 0.000 0.910 235 S CB -0.043 63.145 63.200 -0.020 0.000 0.790 235 S HN 0.301 nan 8.310 nan 0.000 0.514 236 K N -0.288 120.069 120.400 -0.072 0.000 2.391 236 K HA 0.489 4.807 4.320 -0.003 0.000 0.197 236 K C -0.102 176.393 176.600 -0.175 0.000 1.087 236 K CA 0.059 56.264 56.287 -0.137 0.000 1.012 236 K CB 0.264 32.657 32.500 -0.178 0.000 0.925 236 K HN 0.247 nan 8.250 nan 0.000 0.547 237 M N 1.332 120.868 119.600 -0.107 0.000 2.318 237 M HA 0.297 4.775 4.480 -0.003 0.000 0.347 237 M C -2.447 173.814 176.300 -0.065 0.000 1.175 237 M CA -2.816 52.417 55.300 -0.112 0.000 1.075 237 M CB 0.967 33.584 32.600 0.029 0.000 1.614 237 M HN -0.202 nan 8.290 nan 0.000 0.456 238 P HA 0.153 nan 4.420 nan 0.000 0.270 238 P C -0.340 176.983 177.300 0.038 0.000 1.227 238 P CA -0.265 62.806 63.100 -0.049 0.000 0.788 238 P CB 0.219 31.869 31.700 -0.083 0.000 0.926 239 G N 0.437 109.252 108.800 0.025 0.000 2.150 239 G HA2 0.253 4.211 3.960 -0.003 0.000 0.250 239 G HA3 0.253 4.211 3.960 -0.003 0.000 0.250 239 G C 1.124 176.065 174.900 0.069 0.000 1.179 239 G CA 0.433 45.555 45.100 0.038 0.000 0.934 239 G HN 0.888 nan 8.290 nan 0.000 0.453 240 G N 2.142 110.981 108.800 0.065 0.000 2.268 240 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.240 240 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.240 240 G C 0.488 175.426 174.900 0.064 0.000 1.010 240 G CA 0.260 45.392 45.100 0.053 0.000 0.618 240 G HN 0.925 nan 8.290 nan 0.000 0.516 241 F N 4.350 124.286 119.950 -0.024 0.000 2.512 241 F HA 0.459 4.984 4.527 -0.004 0.000 0.350 241 F C 1.323 177.112 175.800 -0.018 0.000 1.212 241 F CA 0.784 58.769 58.000 -0.026 0.000 1.099 241 F CB 0.201 39.175 39.000 -0.043 0.000 1.238 241 F HN 0.121 nan 8.300 nan 0.000 0.600 242 T N 5.278 119.788 114.554 -0.072 0.000 2.788 242 T HA 0.125 4.473 4.350 -0.003 0.000 0.280 242 T C 1.727 176.428 174.700 0.002 0.000 0.984 242 T CA -0.627 61.461 62.100 -0.021 0.000 0.972 242 T CB 1.244 70.078 68.868 -0.057 0.000 1.039 242 T HN 0.617 nan 8.240 nan 0.000 0.530 243 I N 0.014 120.596 120.570 0.019 0.000 2.830 243 I HA -0.143 4.025 4.170 -0.003 0.000 0.263 243 I C 2.164 178.273 176.117 -0.012 0.000 1.230 243 I CA 1.061 62.376 61.300 0.025 0.000 1.480 243 I CB -0.084 37.929 38.000 0.022 0.000 1.095 243 I HN 0.662 nan 8.210 nan 0.000 0.455 244 T N 0.053 114.582 114.554 -0.042 0.000 2.698 244 T HA -0.131 4.217 4.350 -0.003 0.000 0.260 244 T C 1.865 176.503 174.700 -0.103 0.000 1.044 244 T CA 1.567 63.633 62.100 -0.058 0.000 1.149 244 T CB -0.137 68.697 68.868 -0.056 0.000 0.864 244 T HN 0.135 nan 8.240 nan 0.000 0.419 245 V N 1.629 121.422 119.914 -0.201 0.000 2.490 245 V HA -0.133 3.985 4.120 -0.003 0.000 0.250 245 V C 2.718 178.596 176.094 -0.361 0.000 1.061 245 V CA 1.662 63.751 62.300 -0.351 0.000 1.064 245 V CB -0.938 30.519 31.823 -0.611 0.000 0.670 245 V HN 0.527 nan 8.190 nan 0.000 0.461 246 A N -0.544 122.123 122.820 -0.255 0.000 2.066 246 A HA -0.132 4.186 4.320 -0.003 0.000 0.218 246 A C 2.335 179.985 177.584 0.110 0.000 1.157 246 A CA 1.186 53.271 52.037 0.079 0.000 0.670 246 A CB -0.324 18.859 19.000 0.305 0.000 0.804 246 A HN 0.537 nan 8.150 nan 0.000 0.453 247 R N -0.688 119.831 120.500 0.032 0.000 2.112 247 R HA 0.076 4.414 4.340 -0.003 0.000 0.216 247 R C 1.797 178.116 176.300 0.032 0.000 1.080 247 R CA 0.976 57.093 56.100 0.029 0.000 0.996 247 R CB -0.174 30.128 30.300 0.003 0.000 0.902 247 R HN 0.362 nan 8.270 nan 0.000 0.449 248 K N -0.112 120.297 120.400 0.014 0.000 2.362 248 K HA -0.148 4.170 4.320 -0.003 0.000 0.200 248 K C 1.537 178.174 176.600 0.061 0.000 1.046 248 K CA 0.968 57.265 56.287 0.017 0.000 0.952 248 K CB 0.048 32.542 32.500 -0.011 0.000 0.753 248 K HN 0.161 nan 8.250 nan 0.000 0.466 249 Y N 0.561 120.849 120.300 -0.019 0.000 2.262 249 Y HA -0.003 4.545 4.550 -0.004 0.000 0.295 249 Y C 1.560 177.492 175.900 0.053 0.000 1.121 249 Y CA 0.868 58.987 58.100 0.032 0.000 1.144 249 Y CB 0.047 38.552 38.460 0.075 0.000 1.043 249 Y HN -0.121 nan 8.280 nan 0.000 0.528 250 L N 0.439 121.723 121.223 0.101 0.000 2.261 250 L HA -0.239 4.099 4.340 -0.003 0.000 0.216 250 L C 2.363 179.240 176.870 0.013 0.000 1.114 250 L CA 1.802 56.651 54.840 0.016 0.000 0.777 250 L CB -0.325 41.752 42.059 0.029 0.000 0.910 250 L HN 0.420 nan 8.230 nan 0.000 0.440 251 Q N -1.299 118.500 119.800 -0.002 0.000 2.304 251 Q HA -0.085 4.253 4.340 -0.003 0.000 0.204 251 Q C 2.055 178.047 176.000 -0.013 0.000 0.936 251 Q CA 0.990 56.796 55.803 0.005 0.000 0.878 251 Q CB 0.385 29.126 28.738 0.004 0.000 0.983 251 Q HN 0.277 nan 8.270 nan 0.000 0.516 252 T N 0.631 115.159 114.554 -0.043 0.000 2.643 252 T HA -0.167 4.181 4.350 -0.003 0.000 0.264 252 T C 1.702 176.359 174.700 -0.071 0.000 1.045 252 T CA 1.838 63.908 62.100 -0.051 0.000 1.155 252 T CB -0.127 68.716 68.868 -0.043 0.000 0.863 252 T HN 0.204 nan 8.240 nan 0.000 0.420 253 R N -1.092 119.309 120.500 -0.164 0.000 2.280 253 R HA 0.083 4.421 4.340 -0.003 0.000 0.195 253 R C 0.613 177.015 176.300 0.170 0.000 0.935 253 R CA 0.685 56.734 56.100 -0.086 0.000 1.033 253 R CB -0.096 30.010 30.300 -0.324 0.000 0.964 253 R HN 0.382 nan 8.270 nan 0.000 0.489 254 W N -0.207 120.955 121.300 -0.230 0.000 2.284 254 W HA 0.488 5.146 4.660 -0.004 0.000 0.334 254 W C 0.221 176.698 176.519 -0.071 0.000 0.917 254 W CA -0.394 56.878 57.345 -0.122 0.000 1.621 254 W CB 0.499 29.900 29.460 -0.098 0.000 1.129 254 W HN 0.210 nan 8.180 nan 0.000 0.528 255 G N 2.397 111.243 108.800 0.076 0.000 2.372 255 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.290 255 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.290 255 G C -0.579 174.357 174.900 0.059 0.000 0.965 255 G CA 0.108 45.230 45.100 0.037 0.000 1.263 255 G HN 0.215 nan 8.290 nan 0.000 0.498 256 L N 1.529 122.786 121.223 0.058 0.000 2.356 256 L HA 0.473 4.811 4.340 -0.003 0.000 0.277 256 L C -1.916 174.967 176.870 0.022 0.000 0.996 256 L CA -2.403 52.466 54.840 0.048 0.000 0.822 256 L CB 2.502 44.582 42.059 0.035 0.000 1.256 256 L HN 0.069 nan 8.230 nan 0.000 0.413 257 P HA 0.159 nan 4.420 nan 0.000 0.297 257 P C 0.663 177.967 177.300 0.008 0.000 1.303 257 P CA -0.512 62.598 63.100 0.016 0.000 0.753 257 P CB 0.715 32.430 31.700 0.024 0.000 1.281 258 S N -0.280 115.425 115.700 0.009 0.000 2.377 258 S HA -0.173 4.295 4.470 -0.003 0.000 0.224 258 S C 2.049 176.652 174.600 0.005 0.000 1.042 258 S CA 2.290 60.494 58.200 0.006 0.000 1.086 258 S CB -1.602 61.604 63.200 0.010 0.000 0.995 258 S HN 0.626 nan 8.310 nan 0.000 0.428 259 G N 0.403 109.214 108.800 0.019 0.000 2.712 259 G HA2 0.033 3.991 3.960 -0.003 0.000 0.212 259 G HA3 0.033 3.991 3.960 -0.003 0.000 0.212 259 G C 1.566 176.483 174.900 0.028 0.000 1.142 259 G CA -0.139 44.980 45.100 0.031 0.000 0.789 259 G HN 0.379 nan 8.290 nan 0.000 0.535 260 R N 0.502 121.010 120.500 0.014 0.000 2.127 260 R HA -0.009 4.329 4.340 -0.003 0.000 0.217 260 R C 2.578 178.723 176.300 -0.258 0.000 1.074 260 R CA 1.098 57.188 56.100 -0.018 0.000 0.991 260 R CB -0.345 30.004 30.300 0.081 0.000 0.895 260 R HN 0.697 nan 8.270 nan 0.000 0.450 261 Q N 0.179 119.890 119.800 -0.150 0.000 2.435 261 Q HA -0.046 4.292 4.340 -0.003 0.000 0.207 261 Q C 0.311 176.215 176.000 -0.160 0.000 0.956 261 Q CA 0.973 56.675 55.803 -0.168 0.000 0.917 261 Q CB 0.104 28.798 28.738 -0.073 0.000 0.997 261 Q HN 0.029 nan 8.270 nan 0.000 0.497 262 D N 1.406 121.737 120.400 -0.115 0.000 2.224 262 D HA -0.040 4.598 4.640 -0.003 0.000 0.205 262 D C 1.897 178.143 176.300 -0.090 0.000 0.965 262 D CA 1.377 55.337 54.000 -0.066 0.000 0.852 262 D CB -0.212 40.586 40.800 -0.003 0.000 0.947 262 D HN 0.490 nan 8.370 nan 0.000 0.494 263 G N 0.163 108.847 108.800 -0.194 0.000 2.408 263 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.215 263 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.215 263 G C 1.737 176.449 174.900 -0.313 0.000 1.156 263 G CA 0.276 45.270 45.100 -0.177 0.000 0.793 263 G HN 0.217 nan 8.290 nan 0.000 0.535 264 V N 1.020 120.593 119.914 -0.568 0.000 2.667 264 V HA -0.014 4.104 4.120 -0.003 0.000 0.252 264 V C 2.763 178.747 176.094 -0.183 0.000 1.065 264 V CA 0.932 63.017 62.300 -0.358 0.000 1.083 264 V CB -0.219 31.391 31.823 -0.355 0.000 0.692 264 V HN 0.311 nan 8.190 nan 0.000 0.468 265 L N -1.003 120.137 121.223 -0.138 0.000 2.179 265 L HA -0.064 4.274 4.340 -0.003 0.000 0.208 265 L C 2.294 179.136 176.870 -0.046 0.000 1.096 265 L CA 1.282 56.082 54.840 -0.067 0.000 0.779 265 L CB -0.367 41.667 42.059 -0.042 0.000 0.922 265 L HN 0.318 nan 8.230 nan 0.000 0.443 266 L N -0.847 120.351 121.223 -0.042 0.000 2.156 266 L HA -0.123 4.215 4.340 -0.003 0.000 0.208 266 L C 2.357 179.223 176.870 -0.007 0.000 1.095 266 L CA 0.479 55.309 54.840 -0.016 0.000 0.770 266 L CB -0.115 41.954 42.059 0.017 0.000 0.914 266 L HN 0.057 nan 8.230 nan 0.000 0.439 267 V N -0.448 119.465 119.914 -0.002 0.000 2.591 267 V HA -0.124 3.994 4.120 -0.003 0.000 0.249 267 V C 2.534 178.611 176.094 -0.029 0.000 1.053 267 V CA 1.434 63.737 62.300 0.005 0.000 1.068 267 V CB -0.561 31.286 31.823 0.040 0.000 0.689 267 V HN 0.434 nan 8.190 nan 0.000 0.462 268 A N -0.092 122.694 122.820 -0.056 0.000 2.067 268 A HA -0.045 4.273 4.320 -0.003 0.000 0.217 268 A C 2.044 179.673 177.584 0.076 0.000 1.156 268 A CA 1.210 53.243 52.037 -0.005 0.000 0.683 268 A CB -0.321 18.654 19.000 -0.042 0.000 0.808 268 A HN 0.454 nan 8.150 nan 0.000 0.455 269 L N 0.449 121.659 121.223 -0.021 0.000 2.240 269 L HA -0.019 4.319 4.340 -0.003 0.000 0.211 269 L C 2.408 179.142 176.870 -0.226 0.000 1.106 269 L CA 2.417 57.180 54.840 -0.127 0.000 0.793 269 L CB -0.440 41.521 42.059 -0.164 0.000 0.927 269 L HN 0.402 nan 8.230 nan 0.000 0.446 270 S N -1.852 113.786 115.700 -0.103 0.000 2.470 270 S HA 0.044 4.512 4.470 -0.003 0.000 0.225 270 S C 1.304 175.913 174.600 0.015 0.000 1.006 270 S CA 0.341 58.511 58.200 -0.051 0.000 0.934 270 S CB -0.441 62.771 63.200 0.019 0.000 0.778 270 S HN 0.509 nan 8.310 nan 0.000 0.517 271 N N 2.654 121.381 118.700 0.045 0.000 2.321 271 N HA 0.139 4.877 4.740 -0.003 0.000 0.242 271 N C -0.536 175.067 175.510 0.155 0.000 1.141 271 N CA -0.018 53.094 53.050 0.102 0.000 0.864 271 N CB 0.444 38.999 38.487 0.113 0.000 1.100 271 N HN 0.813 nan 8.380 nan 0.000 0.510 272 E N 1.055 121.304 120.200 0.081 0.000 2.415 272 E HA 0.155 4.503 4.350 -0.003 0.000 0.263 272 E C -2.299 174.277 176.600 -0.040 0.000 0.995 272 E CA -1.331 55.088 56.400 0.032 0.000 0.915 272 E CB 0.169 29.869 29.700 0.000 0.000 0.951 272 E HN -0.040 nan 8.360 nan 0.000 0.449 273 P HA -0.006 nan 4.420 nan 0.000 0.266 273 P C -0.299 176.932 177.300 -0.116 0.000 1.195 273 P CA 0.022 62.999 63.100 -0.204 0.000 0.768 273 P CB 1.033 32.499 31.700 -0.390 0.000 0.838 274 A N 1.758 124.533 122.820 -0.076 0.000 2.259 274 A HA 0.493 4.811 4.320 -0.003 0.000 0.208 274 A C 0.750 178.299 177.584 -0.059 0.000 1.201 274 A CA 0.789 52.798 52.037 -0.048 0.000 0.824 274 A CB -0.559 18.425 19.000 -0.026 0.000 0.838 274 A HN 0.640 nan 8.150 nan 0.000 0.485 275 A N -0.578 122.188 122.820 -0.089 0.000 2.606 275 A HA 0.649 4.967 4.320 -0.003 0.000 0.293 275 A C -0.226 177.283 177.584 -0.125 0.000 1.082 275 A CA -0.776 51.208 52.037 -0.088 0.000 0.685 275 A CB 0.606 19.562 19.000 -0.075 0.000 1.284 275 A HN 0.370 nan 8.150 nan 0.000 0.408 276 R N 1.403 121.838 120.500 -0.108 0.000 2.442 276 R HA 0.417 4.755 4.340 -0.003 0.000 0.291 276 R C -0.723 175.488 176.300 -0.147 0.000 1.069 276 R CA -0.325 55.697 56.100 -0.129 0.000 1.022 276 R CB -0.010 30.235 30.300 -0.091 0.000 0.976 276 R HN 0.640 nan 8.270 nan 0.000 0.443 277 L N 4.192 125.293 121.223 -0.204 0.000 2.485 277 L HA 0.080 4.418 4.340 -0.003 0.000 0.275 277 L C 1.594 178.375 176.870 -0.148 0.000 1.207 277 L CA 0.179 54.897 54.840 -0.204 0.000 0.855 277 L CB 0.689 42.574 42.059 -0.290 0.000 1.114 277 L HN 0.968 nan 8.230 nan 0.000 0.485 278 G N 1.625 110.355 108.800 -0.117 0.000 2.557 278 G HA2 -0.038 3.920 3.960 -0.003 0.000 0.213 278 G HA3 -0.038 3.920 3.960 -0.003 0.000 0.213 278 G C 0.557 175.411 174.900 -0.077 0.000 1.221 278 G CA -0.092 44.959 45.100 -0.082 0.000 0.832 278 G HN 0.561 nan 8.290 nan 0.000 0.556 279 S N 0.456 116.109 115.700 -0.078 0.000 2.585 279 S HA 0.129 4.597 4.470 -0.003 0.000 0.273 279 S C 1.227 175.766 174.600 -0.101 0.000 1.339 279 S CA -0.298 57.862 58.200 -0.066 0.000 1.028 279 S CB 1.846 65.014 63.200 -0.053 0.000 0.906 279 S HN 0.516 nan 8.310 nan 0.000 0.528 280 E N 1.445 121.610 120.200 -0.058 0.000 2.274 280 E HA -0.121 4.227 4.350 -0.003 0.000 0.194 280 E C 1.683 178.219 176.600 -0.106 0.000 0.996 280 E CA 0.843 57.209 56.400 -0.057 0.000 0.840 280 E CB -0.080 29.668 29.700 0.080 0.000 0.772 280 E HN 0.720 nan 8.360 nan 0.000 0.491 281 A N 0.876 123.653 122.820 -0.071 0.000 2.021 281 A HA -0.087 4.231 4.320 -0.003 0.000 0.216 281 A C 1.678 179.206 177.584 -0.094 0.000 1.163 281 A CA 1.049 53.048 52.037 -0.063 0.000 0.676 281 A CB -0.060 18.931 19.000 -0.016 0.000 0.818 281 A HN 0.156 nan 8.150 nan 0.000 0.453 282 D N 0.186 120.520 120.400 -0.110 0.000 2.183 282 D HA 0.025 4.663 4.640 -0.003 0.000 0.203 282 D C 2.135 178.337 176.300 -0.162 0.000 0.969 282 D CA 1.343 55.277 54.000 -0.111 0.000 0.842 282 D CB -0.172 40.563 40.800 -0.109 0.000 0.957 282 D HN 0.396 nan 8.370 nan 0.000 0.484 283 A N 0.595 123.235 122.820 -0.300 0.000 1.970 283 A HA -0.107 4.211 4.320 -0.003 0.000 0.216 283 A C 2.025 179.321 177.584 -0.480 0.000 1.170 283 A CA 0.924 52.667 52.037 -0.489 0.000 0.645 283 A CB -0.133 18.285 19.000 -0.969 0.000 0.816 283 A HN 0.076 nan 8.150 nan 0.000 0.447 284 K N -0.241 119.893 120.400 -0.443 0.000 2.062 284 K HA 0.006 4.324 4.320 -0.003 0.000 0.205 284 K C 2.253 178.699 176.600 -0.257 0.000 1.051 284 K CA 1.028 56.999 56.287 -0.526 0.000 0.941 284 K CB -0.254 31.961 32.500 -0.474 0.000 0.719 284 K HN 0.408 nan 8.250 nan 0.000 0.440 285 A N 0.911 123.660 122.820 -0.119 0.000 2.015 285 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 285 A C 1.910 179.472 177.584 -0.038 0.000 1.163 285 A CA 0.959 52.974 52.037 -0.036 0.000 0.646 285 A CB -0.549 18.451 19.000 -0.001 0.000 0.806 285 A HN 0.368 nan 8.150 nan 0.000 0.448 286 F N 0.414 120.253 119.950 -0.185 0.000 2.146 286 F HA -0.044 4.481 4.527 -0.003 0.000 0.298 286 F C 1.735 177.425 175.800 -0.184 0.000 1.096 286 F CA 1.470 59.367 58.000 -0.171 0.000 1.275 286 F CB -0.286 38.599 39.000 -0.191 0.000 1.008 286 F HN 0.118 nan 8.300 nan 0.000 0.480 287 L N 0.085 121.097 121.223 -0.351 0.000 2.201 287 L HA -0.186 4.152 4.340 -0.003 0.000 0.212 287 L C 2.004 178.562 176.870 -0.521 0.000 1.105 287 L CA 1.014 55.606 54.840 -0.414 0.000 0.775 287 L CB -0.762 41.212 42.059 -0.142 0.000 0.913 287 L HN 0.107 nan 8.230 nan 0.000 0.440 288 D N -0.276 119.831 120.400 -0.489 0.000 2.077 288 D HA -0.161 4.477 4.640 -0.003 0.000 0.193 288 D C 2.366 178.295 176.300 -0.617 0.000 0.989 288 D CA 1.911 55.446 54.000 -0.774 0.000 0.831 288 D CB -0.286 40.363 40.800 -0.252 0.000 0.979 288 D HN 0.277 nan 8.370 nan 0.000 0.449 289 S N -0.147 115.375 115.700 -0.296 0.000 2.442 289 S HA -0.100 4.368 4.470 -0.003 0.000 0.236 289 S C 1.842 176.318 174.600 -0.206 0.000 1.007 289 S CA 0.700 58.807 58.200 -0.156 0.000 0.965 289 S CB -0.162 62.990 63.200 -0.079 0.000 0.773 289 S HN 0.090 nan 8.310 nan 0.000 0.504 290 M N 1.526 120.896 119.600 -0.383 0.000 2.349 290 M HA 0.283 4.761 4.480 -0.003 0.000 0.266 290 M C 2.356 178.544 176.300 -0.187 0.000 1.076 290 M CA 1.035 56.127 55.300 -0.348 0.000 1.126 290 M CB -1.607 30.632 32.600 -0.602 0.000 1.392 290 M HN 0.526 nan 8.290 nan 0.000 0.440 291 A N -0.910 121.764 122.820 -0.243 0.000 2.169 291 A HA -0.019 4.299 4.320 -0.003 0.000 0.212 291 A C 2.034 179.777 177.584 0.266 0.000 1.153 291 A CA 0.644 52.661 52.037 -0.034 0.000 0.756 291 A CB -0.261 18.626 19.000 -0.187 0.000 0.813 291 A HN 0.528 nan 8.150 nan 0.000 0.471 292 Q N -0.805 119.117 119.800 0.205 0.000 2.396 292 Q HA 0.087 4.425 4.340 -0.003 0.000 0.209 292 Q C 1.433 177.516 176.000 0.137 0.000 0.906 292 Q CA 0.364 56.332 55.803 0.275 0.000 0.927 292 Q CB 0.195 29.128 28.738 0.325 0.000 1.069 292 Q HN 0.588 nan 8.270 nan 0.000 0.523 293 K N -0.364 120.087 120.400 0.085 0.000 2.243 293 K HA -0.107 4.211 4.320 -0.003 0.000 0.201 293 K C 1.628 178.275 176.600 0.078 0.000 1.051 293 K CA 0.644 56.962 56.287 0.053 0.000 0.970 293 K CB 0.109 32.619 32.500 0.016 0.000 0.755 293 K HN 0.172 nan 8.250 nan 0.000 0.465 294 Y N 1.095 121.394 120.300 -0.002 0.000 2.337 294 Y HA -0.054 4.494 4.550 -0.003 0.000 0.293 294 Y C 2.042 177.962 175.900 0.034 0.000 1.123 294 Y CA 0.938 59.044 58.100 0.010 0.000 1.201 294 Y CB -0.124 38.341 38.460 0.008 0.000 1.011 294 Y HN -0.019 nan 8.280 nan 0.000 0.545 295 A N -0.068 122.788 122.820 0.060 0.000 1.902 295 A HA -0.175 4.143 4.320 -0.003 0.000 0.217 295 A C 2.188 179.715 177.584 -0.095 0.000 1.181 295 A CA 2.013 54.040 52.037 -0.016 0.000 0.623 295 A CB -1.118 17.961 19.000 0.132 0.000 0.818 295 A HN 0.545 nan 8.150 nan 0.000 0.443 296 S N -1.447 114.221 115.700 -0.054 0.000 2.577 296 S HA 0.359 4.826 4.470 -0.003 0.000 0.219 296 S C 1.124 175.675 174.600 -0.081 0.000 0.962 296 S CA 0.127 58.293 58.200 -0.057 0.000 0.921 296 S CB -0.167 63.022 63.200 -0.019 0.000 0.789 296 S HN 0.465 nan 8.310 nan 0.000 0.497 297 I N 0.254 120.747 120.570 -0.129 0.000 4.035 297 I HA 0.149 4.317 4.170 -0.003 0.000 0.321 297 I C 1.225 177.233 176.117 -0.183 0.000 1.289 297 I CA 0.317 61.540 61.300 -0.128 0.000 1.236 297 I CB 0.658 38.602 38.000 -0.093 0.000 1.076 297 I HN 0.189 nan 8.210 nan 0.000 0.418 298 V N 0.050 119.778 119.914 -0.310 0.000 3.379 298 V HA 0.326 4.444 4.120 -0.003 0.000 0.249 298 V C 1.434 177.413 176.094 -0.191 0.000 1.184 298 V CA 0.909 63.024 62.300 -0.309 0.000 1.106 298 V CB 0.352 31.812 31.823 -0.604 0.000 0.826 298 V HN 0.557 nan 8.190 nan 0.000 0.465 299 G N 1.080 109.778 108.800 -0.171 0.000 2.130 299 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.216 299 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.216 299 G C -0.050 174.804 174.900 -0.077 0.000 0.999 299 G CA 0.017 45.058 45.100 -0.098 0.000 0.686 299 G HN 0.525 nan 8.290 nan 0.000 0.515 300 V N -0.499 119.361 119.914 -0.090 0.000 2.581 300 V HA 0.798 4.916 4.120 -0.003 0.000 0.303 300 V C -0.031 176.051 176.094 -0.020 0.000 1.041 300 V CA -1.128 61.146 62.300 -0.043 0.000 0.907 300 V CB 2.038 33.849 31.823 -0.021 0.000 0.994 300 V HN 0.201 nan 8.190 nan 0.000 0.442 301 D N 1.511 121.899 120.400 -0.021 0.000 2.392 301 D HA 0.760 5.398 4.640 -0.003 0.000 0.246 301 D C -0.619 175.644 176.300 -0.061 0.000 1.013 301 D CA -0.300 53.680 54.000 -0.033 0.000 0.993 301 D CB 2.015 42.791 40.800 -0.040 0.000 1.219 301 D HN 0.435 nan 8.370 nan 0.000 0.538 329 E N 1.155 121.363 120.200 0.013 0.000 2.285 329 E HA -0.114 4.234 4.350 -0.003 0.000 0.194 329 E C 1.493 178.102 176.600 0.014 0.000 0.997 329 E CA 0.925 57.332 56.400 0.011 0.000 0.845 329 E CB 0.228 29.932 29.700 0.007 0.000 0.782 329 E HN 0.526 nan 8.360 nan 0.000 0.491 330 E N 1.504 121.715 120.200 0.017 0.000 2.274 330 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 330 E C 1.971 178.587 176.600 0.026 0.000 0.996 330 E CA 0.325 56.737 56.400 0.020 0.000 0.840 330 E CB 0.103 29.816 29.700 0.021 0.000 0.772 330 E HN 0.327 nan 8.360 nan 0.000 0.491 331 I N 1.217 121.804 120.570 0.028 0.000 2.202 331 I HA -0.239 3.929 4.170 -0.003 0.000 0.242 331 I C 2.644 178.795 176.117 0.056 0.000 1.091 331 I CA 1.903 63.225 61.300 0.037 0.000 1.368 331 I CB -0.516 37.504 38.000 0.033 0.000 1.058 331 I HN 0.196 nan 8.210 nan 0.000 0.410 332 T N -0.803 113.779 114.554 0.048 0.000 2.788 332 T HA -0.235 4.113 4.350 -0.003 0.000 0.268 332 T C 1.860 176.586 174.700 0.044 0.000 1.044 332 T CA 1.542 63.671 62.100 0.049 0.000 1.139 332 T CB -0.416 68.460 68.868 0.013 0.000 0.867 332 T HN 0.387 nan 8.240 nan 0.000 0.454 333 K N 0.638 121.057 120.400 0.031 0.000 2.103 333 K HA -0.121 4.197 4.320 -0.003 0.000 0.207 333 K C 2.236 178.861 176.600 0.042 0.000 1.048 333 K CA 1.651 57.953 56.287 0.024 0.000 0.930 333 K CB -0.264 32.246 32.500 0.017 0.000 0.716 333 K HN 0.339 nan 8.250 nan 0.000 0.444 334 D N -0.147 120.287 120.400 0.056 0.000 2.149 334 D HA -0.133 4.505 4.640 -0.003 0.000 0.201 334 D C 1.732 178.096 176.300 0.107 0.000 0.972 334 D CA 1.003 55.039 54.000 0.060 0.000 0.835 334 D CB 0.068 40.894 40.800 0.043 0.000 0.966 334 D HN 0.351 nan 8.370 nan 0.000 0.476 335 H N -0.064 119.006 119.070 -0.000 0.000 2.333 335 H HA 0.024 4.578 4.556 -0.003 0.000 0.302 335 H C 1.913 177.240 175.328 -0.001 0.000 1.075 335 H CA 0.913 56.961 56.048 -0.001 0.000 1.348 335 H CB 0.347 30.108 29.762 -0.001 0.000 1.393 335 H HN -0.065 nan 8.280 nan 0.000 0.509 336 K N 0.147 120.579 120.400 0.053 0.000 2.103 336 K HA -0.128 4.190 4.320 -0.003 0.000 0.207 336 K C 2.151 178.766 176.600 0.025 0.000 1.048 336 K CA 1.327 57.590 56.287 -0.039 0.000 0.930 336 K CB 0.055 32.523 32.500 -0.055 0.000 0.716 336 K HN 0.139 nan 8.250 nan 0.000 0.444 337 V N 1.738 121.681 119.914 0.049 0.000 2.282 337 V HA -0.284 3.834 4.120 -0.003 0.000 0.249 337 V C 2.190 178.317 176.094 0.054 0.000 1.057 337 V CA 1.803 64.127 62.300 0.041 0.000 1.032 337 V CB -0.616 31.229 31.823 0.037 0.000 0.645 337 V HN 0.318 nan 8.190 nan 0.000 0.447 338 L N 1.440 122.718 121.223 0.093 0.000 1.990 338 L HA -0.163 4.175 4.340 -0.003 0.000 0.213 338 L C 2.447 179.371 176.870 0.090 0.000 1.072 338 L CA 2.674 57.571 54.840 0.093 0.000 0.755 338 L CB -1.237 40.893 42.059 0.118 0.000 0.889 338 L HN 0.201 nan 8.230 nan 0.000 0.432 339 A N -0.475 122.416 122.820 0.117 0.000 1.908 339 A HA -0.260 4.058 4.320 -0.003 0.000 0.218 339 A C 2.437 180.040 177.584 0.031 0.000 1.181 339 A CA 1.882 53.957 52.037 0.064 0.000 0.627 339 A CB -0.712 18.296 19.000 0.014 0.000 0.818 339 A HN 0.516 nan 8.150 nan 0.000 0.445 340 R N -0.006 120.508 120.500 0.022 0.000 2.105 340 R HA -0.127 4.211 4.340 -0.003 0.000 0.239 340 R C 2.143 178.453 176.300 0.018 0.000 1.135 340 R CA 2.152 58.260 56.100 0.013 0.000 0.967 340 R CB -0.744 29.561 30.300 0.008 0.000 0.861 340 R HN 0.716 nan 8.270 nan 0.000 0.442 341 Q N -0.535 119.280 119.800 0.024 0.000 2.083 341 Q HA -0.091 4.247 4.340 -0.003 0.000 0.198 341 Q C 2.081 178.095 176.000 0.022 0.000 0.969 341 Q CA 1.448 57.264 55.803 0.022 0.000 0.838 341 Q CB 0.039 28.790 28.738 0.021 0.000 0.900 341 Q HN 0.474 nan 8.270 nan 0.000 0.436 342 Q N 0.339 120.155 119.800 0.026 0.000 2.181 342 Q HA -0.186 4.152 4.340 -0.003 0.000 0.205 342 Q C 2.123 178.138 176.000 0.025 0.000 0.980 342 Q CA 0.937 56.754 55.803 0.024 0.000 0.862 342 Q CB -0.158 28.598 28.738 0.029 0.000 0.905 342 Q HN 0.429 nan 8.270 nan 0.000 0.429 343 L N 0.519 121.756 121.223 0.024 0.000 1.973 343 L HA -0.235 4.103 4.340 -0.003 0.000 0.208 343 L C 2.586 179.473 176.870 0.028 0.000 1.073 343 L CA 1.257 56.111 54.840 0.023 0.000 0.746 343 L CB -0.231 41.838 42.059 0.016 0.000 0.891 343 L HN 0.239 nan 8.230 nan 0.000 0.433 344 Q N -0.655 119.159 119.800 0.024 0.000 2.062 344 Q HA -0.282 4.056 4.340 -0.003 0.000 0.209 344 Q C 2.216 178.238 176.000 0.036 0.000 0.996 344 Q CA 2.234 58.053 55.803 0.026 0.000 0.859 344 Q CB -1.012 27.738 28.738 0.020 0.000 0.920 344 Q HN 0.532 nan 8.270 nan 0.000 0.415 345 V N 0.578 120.513 119.914 0.035 0.000 2.490 345 V HA -0.212 3.906 4.120 -0.003 0.000 0.250 345 V C 2.240 178.377 176.094 0.073 0.000 1.061 345 V CA 1.260 63.586 62.300 0.044 0.000 1.064 345 V CB -0.376 31.463 31.823 0.027 0.000 0.670 345 V HN 0.295 nan 8.190 nan 0.000 0.461 346 L N -0.059 121.205 121.223 0.068 0.000 2.027 346 L HA -0.071 4.267 4.340 -0.003 0.000 0.206 346 L C 2.811 179.756 176.870 0.126 0.000 1.074 346 L CA 1.744 56.648 54.840 0.106 0.000 0.745 346 L CB -0.754 41.348 42.059 0.072 0.000 0.898 346 L HN 0.442 nan 8.230 nan 0.000 0.433 347 A N -0.091 122.773 122.820 0.073 0.000 1.917 347 A HA -0.303 4.015 4.320 -0.003 0.000 0.219 347 A C 2.348 179.962 177.584 0.049 0.000 1.182 347 A CA 2.087 54.154 52.037 0.049 0.000 0.633 347 A CB -0.676 18.342 19.000 0.030 0.000 0.819 347 A HN 0.403 nan 8.150 nan 0.000 0.448 348 R N -1.882 118.656 120.500 0.064 0.000 2.094 348 R HA -0.242 4.096 4.340 -0.003 0.000 0.239 348 R C 2.125 178.476 176.300 0.084 0.000 1.137 348 R CA 2.249 58.387 56.100 0.063 0.000 0.943 348 R CB -0.657 29.684 30.300 0.067 0.000 0.850 348 R HN 0.597 nan 8.270 nan 0.000 0.433 349 Y N 1.180 121.481 120.300 0.002 0.000 2.151 349 Y HA -0.189 4.359 4.550 -0.002 0.000 0.284 349 Y C 1.754 177.655 175.900 0.002 0.000 1.166 349 Y CA 1.714 59.815 58.100 0.002 0.000 1.163 349 Y CB -0.280 38.182 38.460 0.002 0.000 0.974 349 Y HN 0.109 nan 8.280 nan 0.000 0.511 350 L N 0.277 121.430 121.223 -0.116 0.000 2.465 350 L HA -0.107 4.231 4.340 -0.003 0.000 0.224 350 L C 0.993 177.777 176.870 -0.143 0.000 1.145 350 L CA 1.052 55.779 54.840 -0.188 0.000 0.834 350 L CB -0.432 41.600 42.059 -0.044 0.000 0.944 350 L HN 0.162 nan 8.230 nan 0.000 0.451 351 K N 0.619 120.963 120.400 -0.093 0.000 3.069 351 K HA -0.200 4.118 4.320 -0.003 0.000 0.267 351 K C -0.095 176.480 176.600 -0.041 0.000 1.082 351 K CA 0.720 56.970 56.287 -0.062 0.000 0.782 351 K CB -1.530 30.919 32.500 -0.083 0.000 1.230 351 K HN 0.433 nan 8.250 nan 0.000 0.488 352 M N -0.871 118.713 119.600 -0.027 0.000 2.205 352 M HA 0.359 4.837 4.480 -0.003 0.000 0.344 352 M C -0.416 175.881 176.300 -0.005 0.000 1.085 352 M CA -0.769 54.521 55.300 -0.016 0.000 1.001 352 M CB 1.669 34.260 32.600 -0.015 0.000 1.626 352 M HN -0.104 nan 8.290 nan 0.000 0.442 353 D N 4.085 124.483 120.400 -0.003 0.000 2.374 353 D HA 0.227 4.865 4.640 -0.003 0.000 0.240 353 D C 0.646 176.948 176.300 0.004 0.000 1.229 353 D CA -0.150 53.851 54.000 0.002 0.000 0.895 353 D CB 0.645 41.447 40.800 0.003 0.000 1.046 353 D HN 0.820 nan 8.370 nan 0.000 0.498 354 L N 2.249 123.475 121.223 0.005 0.000 2.376 354 L HA -0.038 4.300 4.340 -0.003 0.000 0.219 354 L C 0.925 177.799 176.870 0.006 0.000 1.133 354 L CA 0.668 55.510 54.840 0.004 0.000 0.816 354 L CB 0.014 42.075 42.059 0.005 0.000 0.933 354 L HN 0.293 nan 8.230 nan 0.000 0.449 355 D N -1.085 119.321 120.400 0.010 0.000 2.349 355 D HA -0.055 4.583 4.640 -0.003 0.000 0.214 355 D C 1.741 178.055 176.300 0.023 0.000 1.063 355 D CA 0.173 54.182 54.000 0.015 0.000 0.847 355 D CB 0.011 40.821 40.800 0.017 0.000 0.933 355 D HN 0.228 nan 8.370 nan 0.000 0.513 356 N N 0.758 119.470 118.700 0.020 0.000 2.223 356 N HA -0.141 4.597 4.740 -0.003 0.000 0.185 356 N C 1.859 177.392 175.510 0.038 0.000 1.016 356 N CA 1.174 54.240 53.050 0.025 0.000 0.863 356 N CB 0.181 38.679 38.487 0.017 0.000 0.983 356 N HN 0.125 nan 8.380 nan 0.000 0.429 357 G N 1.477 110.296 108.800 0.032 0.000 2.545 357 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.217 357 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.217 357 G C 1.386 176.339 174.900 0.088 0.000 1.218 357 G CA 0.544 45.669 45.100 0.041 0.000 0.787 357 G HN 0.342 nan 8.290 nan 0.000 0.571 358 E N 0.353 120.599 120.200 0.076 0.000 2.160 358 E HA -0.103 4.245 4.350 -0.003 0.000 0.195 358 E C 2.679 179.387 176.600 0.180 0.000 0.991 358 E CA 0.544 57.032 56.400 0.148 0.000 0.810 358 E CB -0.139 29.615 29.700 0.090 0.000 0.742 358 E HN 0.397 nan 8.360 nan 0.000 0.466 359 R N 0.793 121.354 120.500 0.102 0.000 2.096 359 R HA -0.148 4.190 4.340 -0.003 0.000 0.229 359 R C 2.470 178.812 176.300 0.071 0.000 1.134 359 R CA 1.819 57.961 56.100 0.070 0.000 0.917 359 R CB -0.214 30.111 30.300 0.042 0.000 0.832 359 R HN 0.019 nan 8.270 nan 0.000 0.430 360 K N -0.186 120.258 120.400 0.074 0.000 2.089 360 K HA -0.241 4.077 4.320 -0.003 0.000 0.210 360 K C 1.948 178.598 176.600 0.084 0.000 1.048 360 K CA 1.971 58.297 56.287 0.064 0.000 0.926 360 K CB -0.416 32.124 32.500 0.067 0.000 0.714 360 K HN 0.138 nan 8.250 nan 0.000 0.448 361 F N 1.646 121.596 119.950 -0.001 0.000 2.095 361 F HA -0.171 4.354 4.527 -0.003 0.000 0.298 361 F C 1.688 177.488 175.800 -0.000 0.000 1.104 361 F CA 1.404 59.404 58.000 -0.000 0.000 1.232 361 F CB -0.307 38.693 39.000 -0.000 0.000 0.987 361 F HN -0.099 nan 8.300 nan 0.000 0.475 362 L N 0.332 121.433 121.223 -0.204 0.000 2.131 362 L HA -0.214 4.124 4.340 -0.003 0.000 0.210 362 L C 2.601 179.325 176.870 -0.244 0.000 1.092 362 L CA 1.660 56.315 54.840 -0.309 0.000 0.759 362 L CB -0.753 41.276 42.059 -0.050 0.000 0.903 362 L HN 0.223 nan 8.230 nan 0.000 0.435 363 K N -0.043 120.271 120.400 -0.144 0.000 2.062 363 K HA -0.152 4.166 4.320 -0.003 0.000 0.205 363 K C 1.973 178.498 176.600 -0.125 0.000 1.051 363 K CA 0.949 57.174 56.287 -0.103 0.000 0.941 363 K CB 0.217 32.687 32.500 -0.050 0.000 0.719 363 K HN 0.166 nan 8.250 nan 0.000 0.440 364 E N 1.061 121.173 120.200 -0.148 0.000 2.072 364 E HA -0.184 4.164 4.350 -0.003 0.000 0.191 364 E C 1.809 178.298 176.600 -0.184 0.000 0.985 364 E CA 0.922 57.245 56.400 -0.129 0.000 0.801 364 E CB -0.090 29.560 29.700 -0.084 0.000 0.750 364 E HN 0.295 nan 8.360 nan 0.000 0.452 365 K N 0.707 120.900 120.400 -0.345 0.000 2.152 365 K HA -0.186 4.132 4.320 -0.003 0.000 0.206 365 K C 1.413 177.900 176.600 -0.189 0.000 1.048 365 K CA 1.458 57.541 56.287 -0.339 0.000 0.933 365 K CB 0.121 32.271 32.500 -0.582 0.000 0.721 365 K HN -0.038 nan 8.250 nan 0.000 0.447 366 D N -0.290 120.011 120.400 -0.164 0.000 2.077 366 D HA -0.128 4.510 4.640 -0.003 0.000 0.196 366 D C 1.862 178.118 176.300 -0.074 0.000 0.986 366 D CA 2.086 56.025 54.000 -0.101 0.000 0.829 366 D CB -0.644 40.104 40.800 -0.086 0.000 0.983 366 D HN 0.382 nan 8.370 nan 0.000 0.453 367 T N -1.212 113.300 114.554 -0.069 0.000 2.996 367 T HA -0.104 4.244 4.350 -0.003 0.000 0.271 367 T C 1.983 176.659 174.700 -0.041 0.000 1.126 367 T CA 0.804 62.875 62.100 -0.048 0.000 1.103 367 T CB -0.468 68.375 68.868 -0.041 0.000 0.870 367 T HN -0.067 nan 8.240 nan 0.000 0.528 368 V N 1.439 121.322 119.914 -0.052 0.000 2.331 368 V HA 0.148 4.266 4.120 -0.003 0.000 0.242 368 V C 3.157 179.235 176.094 -0.027 0.000 1.034 368 V CA 1.330 63.607 62.300 -0.038 0.000 1.027 368 V CB -1.163 30.633 31.823 -0.045 0.000 0.667 368 V HN 0.639 nan 8.190 nan 0.000 0.457 369 A N -0.610 122.190 122.820 -0.034 0.000 2.070 369 A HA -0.250 4.068 4.320 -0.003 0.000 0.220 369 A C 2.158 179.731 177.584 -0.017 0.000 1.159 369 A CA 1.962 53.986 52.037 -0.023 0.000 0.656 369 A CB -0.419 18.565 19.000 -0.028 0.000 0.800 369 A HN 0.659 nan 8.150 nan 0.000 0.453 370 E N -0.029 120.157 120.200 -0.023 0.000 2.015 370 E HA -0.126 4.222 4.350 -0.003 0.000 0.191 370 E C 1.932 178.526 176.600 -0.010 0.000 0.991 370 E CA 1.052 57.440 56.400 -0.020 0.000 0.802 370 E CB -0.188 29.496 29.700 -0.025 0.000 0.759 370 E HN 0.596 nan 8.360 nan 0.000 0.447 371 L N 0.539 121.757 121.223 -0.008 0.000 2.005 371 L HA -0.198 4.140 4.340 -0.003 0.000 0.207 371 L C 2.850 179.726 176.870 0.010 0.000 1.072 371 L CA 1.361 56.201 54.840 0.001 0.000 0.744 371 L CB -0.730 41.329 42.059 -0.001 0.000 0.895 371 L HN 0.273 nan 8.230 nan 0.000 0.433 372 Q N 0.540 120.344 119.800 0.006 0.000 2.217 372 Q HA -0.237 4.101 4.340 -0.003 0.000 0.209 372 Q C 2.053 178.067 176.000 0.023 0.000 0.988 372 Q CA 2.249 58.059 55.803 0.013 0.000 0.878 372 Q CB -0.279 28.463 28.738 0.006 0.000 0.909 372 Q HN 0.462 nan 8.270 nan 0.000 0.424 373 A N 0.082 122.913 122.820 0.019 0.000 1.858 373 A HA -0.268 4.050 4.320 -0.003 0.000 0.216 373 A C 2.021 179.639 177.584 0.057 0.000 1.190 373 A CA 1.768 53.822 52.037 0.029 0.000 0.617 373 A CB -0.695 18.309 19.000 0.007 0.000 0.827 373 A HN 0.617 nan 8.150 nan 0.000 0.443 374 Q N -0.896 118.932 119.800 0.046 0.000 2.084 374 Q HA -0.152 4.186 4.340 -0.003 0.000 0.202 374 Q C 2.096 178.163 176.000 0.112 0.000 0.978 374 Q CA 1.420 57.269 55.803 0.077 0.000 0.844 374 Q CB -0.394 28.370 28.738 0.045 0.000 0.898 374 Q HN 0.543 nan 8.270 nan 0.000 0.426 375 L N 1.332 122.597 121.223 0.070 0.000 2.012 375 L HA -0.228 4.110 4.340 -0.003 0.000 0.210 375 L C 1.676 178.585 176.870 0.064 0.000 1.073 375 L CA 1.790 56.666 54.840 0.059 0.000 0.748 375 L CB -0.336 41.745 42.059 0.036 0.000 0.891 375 L HN 0.131 nan 8.230 nan 0.000 0.431 376 D N -1.722 118.719 120.400 0.068 0.000 2.133 376 D HA -0.284 4.354 4.640 -0.003 0.000 0.195 376 D C 1.934 178.287 176.300 0.089 0.000 0.997 376 D CA 1.603 55.643 54.000 0.066 0.000 0.840 376 D CB -0.260 40.578 40.800 0.065 0.000 0.947 376 D HN 0.446 nan 8.370 nan 0.000 0.452 377 Y N 0.637 120.938 120.300 0.002 0.000 2.163 377 Y HA -0.134 4.414 4.550 -0.003 0.000 0.288 377 Y C 2.085 177.985 175.900 0.000 0.000 1.136 377 Y CA 0.883 58.983 58.100 -0.000 0.000 1.147 377 Y CB -0.408 38.050 38.460 -0.002 0.000 0.987 377 Y HN -0.112 nan 8.280 nan 0.000 0.509 378 L N 0.904 122.144 121.223 0.028 0.000 2.127 378 L HA -0.247 4.091 4.340 -0.003 0.000 0.211 378 L C 1.807 178.616 176.870 -0.102 0.000 1.089 378 L CA 1.893 56.699 54.840 -0.057 0.000 0.757 378 L CB -1.183 40.904 42.059 0.046 0.000 0.899 378 L HN 0.296 nan 8.230 nan 0.000 0.434 379 N N -1.228 117.439 118.700 -0.055 0.000 2.171 379 N HA -0.099 4.639 4.740 -0.003 0.000 0.184 379 N C 1.879 177.335 175.510 -0.089 0.000 1.021 379 N CA 1.126 54.151 53.050 -0.041 0.000 0.854 379 N CB -0.211 38.272 38.487 -0.007 0.000 0.994 379 N HN 0.387 nan 8.380 nan 0.000 0.426 380 A N 1.079 123.817 122.820 -0.137 0.000 1.917 380 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 380 A C 1.991 179.434 177.584 -0.235 0.000 1.182 380 A CA 1.465 53.400 52.037 -0.170 0.000 0.633 380 A CB -0.329 18.560 19.000 -0.185 0.000 0.819 380 A HN 0.199 nan 8.150 nan 0.000 0.448 381 E N -0.582 119.398 120.200 -0.366 0.000 2.086 381 E HA 0.024 4.372 4.350 -0.003 0.000 0.190 381 E C 2.014 178.474 176.600 -0.233 0.000 0.975 381 E CA 0.805 57.007 56.400 -0.330 0.000 0.813 381 E CB -0.165 29.277 29.700 -0.430 0.000 0.768 381 E HN 0.670 nan 8.360 nan 0.000 0.457 382 L N -0.664 120.438 121.223 -0.202 0.000 2.408 382 L HA 0.199 4.537 4.340 -0.003 0.000 0.215 382 L C 1.019 177.854 176.870 -0.059 0.000 1.081 382 L CA 0.425 55.132 54.840 -0.223 0.000 0.840 382 L CB 0.079 42.029 42.059 -0.181 0.000 1.002 382 L HN 0.116 nan 8.230 nan 0.000 0.468 383 G N 0.213 109.003 108.800 -0.016 0.000 2.699 383 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.686 383 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.686 383 G C 0.164 175.117 174.900 0.088 0.000 1.301 383 G CA -0.231 44.893 45.100 0.040 0.000 0.816 383 G HN 0.132 nan 8.290 nan 0.000 0.595 384 E N -0.395 119.851 120.200 0.077 0.000 2.012 384 E HA -0.141 4.207 4.350 -0.003 0.000 0.197 384 E C 2.269 178.930 176.600 0.102 0.000 1.007 384 E CA 1.655 58.100 56.400 0.075 0.000 0.816 384 E CB -0.120 29.620 29.700 0.067 0.000 0.762 384 E HN 0.471 nan 8.360 nan 0.000 0.451 385 F N 0.502 120.415 119.950 -0.062 0.000 2.115 385 F HA -0.267 4.258 4.527 -0.003 0.000 0.300 385 F C 2.135 177.749 175.800 -0.309 0.000 1.092 385 F CA 1.530 59.436 58.000 -0.157 0.000 1.245 385 F CB -0.549 38.398 39.000 -0.088 0.000 0.995 385 F HN 0.038 nan 8.300 nan 0.000 0.481 386 F N -0.559 119.295 119.950 -0.160 0.000 2.128 386 F HA -0.140 4.385 4.527 -0.003 0.000 0.295 386 F C 2.180 177.839 175.800 -0.236 0.000 1.100 386 F CA 1.511 59.375 58.000 -0.228 0.000 1.260 386 F CB -0.554 38.467 39.000 0.036 0.000 1.009 386 F HN -0.240 nan 8.300 nan 0.000 0.476 387 V N 0.831 120.821 119.914 0.127 0.000 2.295 387 V HA -0.303 3.815 4.120 -0.003 0.000 0.246 387 V C 2.096 178.117 176.094 -0.122 0.000 1.049 387 V CA 2.111 64.443 62.300 0.053 0.000 1.024 387 V CB -0.800 31.067 31.823 0.074 0.000 0.648 387 V HN 0.359 nan 8.190 nan 0.000 0.447 388 N N 1.008 119.602 118.700 -0.175 0.000 2.135 388 N HA -0.078 4.660 4.740 -0.003 0.000 0.186 388 N C 1.883 177.164 175.510 -0.382 0.000 1.027 388 N CA 1.603 54.520 53.050 -0.222 0.000 0.849 388 N CB -0.719 37.666 38.487 -0.169 0.000 1.002 388 N HN 0.498 nan 8.380 nan 0.000 0.425 389 G N -0.119 108.262 108.800 -0.698 0.000 2.625 389 G HA2 -0.085 3.873 3.960 -0.003 0.000 0.214 389 G HA3 -0.085 3.873 3.960 -0.003 0.000 0.214 389 G C 1.192 175.704 174.900 -0.646 0.000 1.132 389 G CA 0.164 44.670 45.100 -0.990 0.000 0.782 389 G HN 0.238 nan 8.290 nan 0.000 0.538 390 V N 0.473 120.104 119.914 -0.472 0.000 3.542 390 V HA 0.573 4.691 4.120 -0.003 0.000 0.296 390 V C 1.571 177.566 176.094 -0.164 0.000 1.364 390 V CA 0.256 62.415 62.300 -0.236 0.000 1.118 390 V CB -0.397 31.214 31.823 -0.354 0.000 0.972 390 V HN 0.451 nan 8.190 nan 0.000 0.430 391 A N 0.011 122.729 122.820 -0.170 0.000 2.386 391 A HA 0.434 4.752 4.320 -0.003 0.000 0.246 391 A C 0.616 178.134 177.584 -0.110 0.000 1.089 391 A CA 0.453 52.417 52.037 -0.121 0.000 0.790 391 A CB 0.163 19.093 19.000 -0.117 0.000 1.042 391 A HN 0.307 nan 8.150 nan 0.000 0.497 392 T N -0.445 114.058 114.554 -0.086 0.000 2.904 392 T HA 0.393 4.741 4.350 -0.003 0.000 0.290 392 T C 1.142 175.796 174.700 -0.075 0.000 1.018 392 T CA 0.538 62.594 62.100 -0.074 0.000 1.075 392 T CB 0.969 69.809 68.868 -0.046 0.000 0.986 392 T HN 0.743 nan 8.240 nan 0.000 0.523 393 S N 2.189 117.853 115.700 -0.059 0.000 2.882 393 S HA 0.266 4.733 4.470 -0.003 0.000 0.258 393 S C 0.000 174.577 174.600 -0.039 0.000 1.081 393 S CA -0.565 57.600 58.200 -0.057 0.000 0.886 393 S CB -0.036 63.131 63.200 -0.055 0.000 0.855 393 S HN 0.632 nan 8.310 nan 0.000 0.467 394 F N 4.153 124.039 119.950 -0.107 0.000 2.456 394 F HA 0.580 5.104 4.527 -0.003 0.000 0.358 394 F C 0.019 175.722 175.800 -0.161 0.000 1.095 394 F CA 0.019 57.956 58.000 -0.104 0.000 1.216 394 F CB 0.995 40.010 39.000 0.024 0.000 1.125 394 F HN 0.158 nan 8.300 nan 0.000 0.549 395 S N 5.590 120.673 115.700 -1.028 0.000 2.546 395 S HA 0.483 4.951 4.470 -0.003 0.000 0.274 395 S C 0.400 174.183 174.600 -1.360 0.000 1.121 395 S CA -1.049 56.592 58.200 -0.931 0.000 0.887 395 S CB 2.119 65.004 63.200 -0.526 0.000 1.094 395 S HN 0.817 nan 8.310 nan 0.000 0.474 396 R N 1.063 120.979 120.500 -0.972 0.000 2.115 396 R HA 0.043 4.381 4.340 -0.003 0.000 0.230 396 R C 1.579 177.505 176.300 -0.622 0.000 1.111 396 R CA 1.182 56.755 56.100 -0.878 0.000 0.976 396 R CB -0.249 29.829 30.300 -0.369 0.000 0.870 396 R HN 0.632 nan 8.270 nan 0.000 0.445 397 K N 0.681 120.778 120.400 -0.505 0.000 2.442 397 K HA -0.080 4.238 4.320 -0.003 0.000 0.198 397 K C 1.259 177.634 176.600 -0.375 0.000 1.042 397 K CA 0.856 56.870 56.287 -0.455 0.000 0.958 397 K CB 0.145 32.273 32.500 -0.620 0.000 0.766 397 K HN 0.131 nan 8.250 nan 0.000 0.474 398 K N 0.448 120.568 120.400 -0.465 0.000 2.417 398 K HA 0.136 4.454 4.320 -0.003 0.000 0.196 398 K C 0.152 176.561 176.600 -0.317 0.000 1.023 398 K CA -0.311 55.725 56.287 -0.420 0.000 1.122 398 K CB 0.757 32.829 32.500 -0.714 0.000 0.850 398 K HN 0.018 nan 8.250 nan 0.000 0.521 399 A N 1.472 124.112 122.820 -0.299 0.000 2.388 399 A HA 0.381 4.699 4.320 -0.003 0.000 0.257 399 A C -0.328 177.239 177.584 -0.029 0.000 1.095 399 A CA -0.200 51.744 52.037 -0.156 0.000 0.791 399 A CB 0.373 19.240 19.000 -0.222 0.000 1.029 399 A HN 0.087 nan 8.150 nan 0.000 0.489 400 R N 0.854 121.356 120.500 0.004 0.000 2.439 400 R HA 0.547 4.885 4.340 -0.003 0.000 0.310 400 R C -0.201 175.904 176.300 -0.325 0.000 0.955 400 R CA -0.097 55.908 56.100 -0.158 0.000 0.853 400 R CB 1.595 31.821 30.300 -0.123 0.000 1.171 400 R HN 0.844 nan 8.270 nan 0.000 0.449 401 T N 0.357 114.671 114.554 -0.400 0.000 2.823 401 T HA 0.658 5.006 4.350 -0.003 0.000 0.279 401 T C -0.609 173.750 174.700 -0.569 0.000 0.998 401 T CA -0.531 61.364 62.100 -0.341 0.000 0.994 401 T CB 0.489 69.274 68.868 -0.138 0.000 0.960 401 T HN 0.249 nan 8.240 nan 0.000 0.448 402 F N 2.739 122.570 119.950 -0.198 0.000 2.426 402 F HA 0.471 4.996 4.527 -0.003 0.000 0.348 402 F C 0.812 176.287 175.800 -0.542 0.000 1.124 402 F CA -0.890 56.864 58.000 -0.411 0.000 1.008 402 F CB 1.827 40.405 39.000 -0.703 0.000 1.139 402 F HN 0.610 nan 8.300 nan 0.000 0.452 403 D N 0.234 120.602 120.400 -0.054 0.000 2.766 403 D HA -0.028 4.610 4.640 -0.003 0.000 0.284 403 D C 1.151 177.612 176.300 0.268 0.000 1.050 403 D CA 0.748 54.816 54.000 0.113 0.000 0.945 403 D CB 0.240 41.111 40.800 0.119 0.000 1.272 403 D HN 0.346 nan 8.370 nan 0.000 0.482 404 S N 1.102 116.860 115.700 0.096 0.000 3.864 404 S HA 0.061 4.529 4.470 -0.003 0.000 0.202 404 S C 1.419 175.627 174.600 -0.654 0.000 1.402 404 S CA 0.086 57.939 58.200 -0.578 0.000 1.072 404 S CB -0.406 62.097 63.200 -1.163 0.000 1.383 404 S HN 0.113 nan 8.310 nan 0.000 0.458 405 S N 2.009 117.691 115.700 -0.029 0.000 2.400 405 S HA -0.169 4.299 4.470 -0.003 0.000 0.232 405 S C 1.823 176.337 174.600 -0.142 0.000 1.025 405 S CA 0.606 58.791 58.200 -0.023 0.000 0.993 405 S CB -1.056 62.181 63.200 0.061 0.000 0.808 405 S HN 0.970 nan 8.310 nan 0.000 0.478 406 W N 2.401 123.654 121.300 -0.078 0.000 2.341 406 W HA -0.101 4.557 4.660 -0.003 0.000 0.283 406 W C 1.777 178.184 176.519 -0.188 0.000 1.215 406 W CA 1.053 58.330 57.345 -0.114 0.000 1.211 406 W CB -1.025 28.375 29.460 -0.100 0.000 1.131 406 W HN 0.475 nan 8.180 nan 0.000 0.552 407 N N 0.074 118.304 118.700 -0.784 0.000 2.439 407 N HA -0.072 4.666 4.740 -0.003 0.000 0.176 407 N C 1.584 176.784 175.510 -0.517 0.000 1.029 407 N CA 0.571 53.134 53.050 -0.812 0.000 0.886 407 N CB -0.778 36.706 38.487 -1.671 0.000 1.057 407 N HN 0.193 nan 8.380 nan 0.000 0.437 408 W N 1.613 122.729 121.300 -0.307 0.000 2.465 408 W HA 0.091 4.749 4.660 -0.003 0.000 0.268 408 W C 2.452 178.859 176.519 -0.186 0.000 1.242 408 W CA 0.316 57.529 57.345 -0.221 0.000 1.248 408 W CB 0.042 29.370 29.460 -0.221 0.000 1.118 408 W HN 0.133 nan 8.180 nan 0.000 0.587 409 A N 1.254 124.072 122.820 -0.003 0.000 1.873 409 A HA -0.183 4.135 4.320 -0.003 0.000 0.215 409 A C 1.888 179.421 177.584 -0.086 0.000 1.186 409 A CA 1.581 53.600 52.037 -0.029 0.000 0.616 409 A CB -0.604 18.383 19.000 -0.022 0.000 0.823 409 A HN 0.251 nan 8.150 nan 0.000 0.442 410 K N -0.554 119.703 120.400 -0.237 0.000 2.063 410 K HA -0.225 4.092 4.320 -0.003 0.000 0.208 410 K C 2.392 178.848 176.600 -0.240 0.000 1.048 410 K CA 1.695 57.637 56.287 -0.575 0.000 0.928 410 K CB -0.176 31.723 32.500 -1.002 0.000 0.713 410 K HN 0.696 nan 8.250 nan 0.000 0.442 411 Q N 0.578 120.329 119.800 -0.081 0.000 2.046 411 Q HA -0.146 4.192 4.340 -0.003 0.000 0.200 411 Q C 2.205 178.248 176.000 0.071 0.000 0.975 411 Q CA 1.553 57.391 55.803 0.058 0.000 0.836 411 Q CB -0.025 28.808 28.738 0.157 0.000 0.896 411 Q HN 0.139 nan 8.270 nan 0.000 0.428 412 S N 0.410 116.136 115.700 0.043 0.000 2.374 412 S HA -0.181 4.287 4.470 -0.003 0.000 0.227 412 S C 1.802 176.429 174.600 0.045 0.000 1.037 412 S CA 1.481 59.690 58.200 0.015 0.000 1.024 412 S CB -0.293 62.895 63.200 -0.020 0.000 0.861 412 S HN 0.493 nan 8.310 nan 0.000 0.456 413 L N 0.440 121.708 121.223 0.074 0.000 2.095 413 L HA 0.203 4.541 4.340 -0.003 0.000 0.204 413 L C 1.846 178.791 176.870 0.124 0.000 1.080 413 L CA 1.037 55.945 54.840 0.113 0.000 0.759 413 L CB -0.226 41.933 42.059 0.166 0.000 0.914 413 L HN 0.288 nan 8.230 nan 0.000 0.439 414 L N -1.092 120.225 121.223 0.158 0.000 2.633 414 L HA -0.025 4.313 4.340 -0.003 0.000 0.235 414 L C 1.882 178.865 176.870 0.189 0.000 1.163 414 L CA 1.056 55.935 54.840 0.066 0.000 0.859 414 L CB -0.243 41.924 42.059 0.179 0.000 0.973 414 L HN 0.309 nan 8.230 nan 0.000 0.451 415 S N -1.947 113.860 115.700 0.179 0.000 2.691 415 S HA 0.135 4.603 4.470 -0.003 0.000 0.241 415 S C 1.603 176.297 174.600 0.157 0.000 1.077 415 S CA -0.070 58.253 58.200 0.205 0.000 0.900 415 S CB -0.114 63.161 63.200 0.125 0.000 0.805 415 S HN 0.413 nan 8.310 nan 0.000 0.529 416 L N 0.838 122.121 121.223 0.099 0.000 2.129 416 L HA -0.164 4.174 4.340 -0.003 0.000 0.212 416 L C 2.123 179.021 176.870 0.047 0.000 1.087 416 L CA 1.979 56.855 54.840 0.060 0.000 0.757 416 L CB -0.380 41.707 42.059 0.046 0.000 0.896 416 L HN 0.546 nan 8.230 nan 0.000 0.434 417 Y N -0.286 119.949 120.300 -0.108 0.000 2.153 417 Y HA -0.244 4.304 4.550 -0.003 0.000 0.289 417 Y C 2.085 177.791 175.900 -0.323 0.000 1.127 417 Y CA 1.724 59.671 58.100 -0.255 0.000 1.131 417 Y CB -0.507 37.720 38.460 -0.388 0.000 0.995 417 Y HN 0.072 nan 8.280 nan 0.000 0.505 418 F N 0.705 120.747 119.950 0.154 0.000 2.365 418 F HA -0.047 4.478 4.527 -0.003 0.000 0.300 418 F C 2.362 178.081 175.800 -0.134 0.000 1.090 418 F CA 1.469 59.434 58.000 -0.059 0.000 1.408 418 F CB -0.444 38.598 39.000 0.069 0.000 1.060 418 F HN 0.173 nan 8.300 nan 0.000 0.534 419 E N 0.226 120.494 120.200 0.113 0.000 2.112 419 E HA -0.085 4.263 4.350 -0.003 0.000 0.190 419 E C 2.301 178.903 176.600 0.004 0.000 0.979 419 E CA 0.605 57.066 56.400 0.101 0.000 0.814 419 E CB -0.032 29.721 29.700 0.089 0.000 0.762 419 E HN 0.346 nan 8.360 nan 0.000 0.460 420 I N 0.710 121.222 120.570 -0.097 0.000 2.286 420 I HA -0.234 3.934 4.170 -0.003 0.000 0.245 420 I C 2.214 178.190 176.117 -0.235 0.000 1.104 420 I CA 0.775 61.983 61.300 -0.153 0.000 1.397 420 I CB -0.119 37.761 38.000 -0.201 0.000 1.072 420 I HN 0.176 nan 8.210 nan 0.000 0.417 421 I N 0.302 120.632 120.570 -0.399 0.000 2.208 421 I HA -0.340 3.828 4.170 -0.003 0.000 0.245 421 I C 2.035 177.969 176.117 -0.305 0.000 1.097 421 I CA 1.795 62.754 61.300 -0.567 0.000 1.363 421 I CB -0.510 37.022 38.000 -0.781 0.000 1.051 421 I HN 0.313 nan 8.210 nan 0.000 0.413 422 H N 0.101 119.124 119.070 -0.078 0.000 2.547 422 H HA 0.105 4.659 4.556 -0.003 0.000 0.266 422 H C 1.444 176.761 175.328 -0.019 0.000 0.988 422 H CA 0.300 56.342 56.048 -0.010 0.000 1.147 422 H CB 0.114 29.903 29.762 0.045 0.000 1.365 422 H HN 0.486 nan 8.280 nan 0.000 0.589 423 G N 0.769 109.599 108.800 0.050 0.000 2.221 423 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.265 423 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.265 423 G C 0.963 175.885 174.900 0.036 0.000 1.041 423 G CA 0.577 45.691 45.100 0.022 0.000 0.807 423 G HN 0.326 nan 8.290 nan 0.000 0.502 424 V N -0.336 119.610 119.914 0.054 0.000 2.346 424 V HA 0.120 4.238 4.120 -0.003 0.000 0.244 424 V C 1.745 177.852 176.094 0.020 0.000 1.037 424 V CA 1.746 64.071 62.300 0.042 0.000 1.029 424 V CB -0.215 31.644 31.823 0.060 0.000 0.663 424 V HN 0.437 nan 8.190 nan 0.000 0.454 425 L N 1.218 122.449 121.223 0.012 0.000 2.264 425 L HA 0.386 4.724 4.340 -0.003 0.000 0.289 425 L C -0.124 176.736 176.870 -0.017 0.000 1.044 425 L CA -0.077 54.761 54.840 -0.003 0.000 0.807 425 L CB 0.818 42.872 42.059 -0.008 0.000 1.192 425 L HN 0.125 nan 8.230 nan 0.000 0.425 426 K N 1.407 121.799 120.400 -0.014 0.000 2.168 426 K HA 0.203 4.521 4.320 -0.003 0.000 0.239 426 K C 0.670 177.258 176.600 -0.020 0.000 0.999 426 K CA -0.723 55.553 56.287 -0.018 0.000 0.900 426 K CB 0.981 33.474 32.500 -0.010 0.000 1.111 426 K HN 0.428 nan 8.250 nan 0.000 0.452 427 N N 1.123 119.811 118.700 -0.021 0.000 2.551 427 N HA -0.067 4.671 4.740 -0.003 0.000 0.199 427 N C 0.121 175.624 175.510 -0.013 0.000 1.277 427 N CA 0.271 53.309 53.050 -0.019 0.000 0.870 427 N CB 0.229 38.703 38.487 -0.021 0.000 1.028 427 N HN 0.291 nan 8.380 nan 0.000 0.452 428 V N -1.320 118.588 119.914 -0.011 0.000 3.151 428 V HA 0.087 4.205 4.120 -0.003 0.000 0.241 428 V C 0.278 176.367 176.094 -0.007 0.000 1.173 428 V CA -0.088 62.207 62.300 -0.008 0.000 1.154 428 V CB -0.148 31.671 31.823 -0.007 0.000 0.898 428 V HN 0.106 nan 8.190 nan 0.000 0.473 429 D N 1.651 122.047 120.400 -0.007 0.000 2.525 429 D HA 0.042 4.680 4.640 -0.003 0.000 0.235 429 D C 1.127 177.424 176.300 -0.005 0.000 1.137 429 D CA 0.333 54.329 54.000 -0.005 0.000 0.868 429 D CB 0.809 41.607 40.800 -0.004 0.000 1.180 429 D HN 0.192 nan 8.370 nan 0.000 0.465 430 R N 1.611 122.109 120.500 -0.004 0.000 2.189 430 R HA -0.088 4.250 4.340 -0.003 0.000 0.218 430 R C 1.539 177.839 176.300 0.000 0.000 1.074 430 R CA 0.347 56.444 56.100 -0.004 0.000 0.991 430 R CB 0.200 30.496 30.300 -0.006 0.000 0.883 430 R HN 0.453 nan 8.270 nan 0.000 0.457 431 E N 0.692 120.893 120.200 0.002 0.000 2.085 431 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 431 E C 1.985 178.585 176.600 -0.000 0.000 0.994 431 E CA 1.293 57.694 56.400 0.003 0.000 0.801 431 E CB -0.260 29.442 29.700 0.002 0.000 0.743 431 E HN 0.165 nan 8.360 nan 0.000 0.453 432 V N 0.273 120.185 119.914 -0.003 0.000 2.490 432 V HA -0.200 3.918 4.120 -0.003 0.000 0.250 432 V C 2.191 178.285 176.094 -0.000 0.000 1.061 432 V CA 1.669 63.967 62.300 -0.004 0.000 1.064 432 V CB -0.196 31.621 31.823 -0.011 0.000 0.670 432 V HN 0.064 nan 8.190 nan 0.000 0.461 433 V N 0.644 120.559 119.914 0.001 0.000 2.323 433 V HA -0.160 3.957 4.120 -0.003 0.000 0.244 433 V C 2.754 178.854 176.094 0.009 0.000 1.041 433 V CA 2.176 64.478 62.300 0.003 0.000 1.025 433 V CB -0.908 30.916 31.823 0.001 0.000 0.656 433 V HN 0.638 nan 8.190 nan 0.000 0.451 434 S N 0.024 115.731 115.700 0.013 0.000 2.359 434 S HA -0.276 4.192 4.470 -0.003 0.000 0.223 434 S C 2.025 176.637 174.600 0.020 0.000 1.039 434 S CA 1.865 60.082 58.200 0.029 0.000 1.042 434 S CB -0.372 62.853 63.200 0.042 0.000 0.915 434 S HN 0.551 nan 8.310 nan 0.000 0.439 435 E N 1.255 121.455 120.200 0.000 0.000 2.208 435 E HA 0.118 4.466 4.350 -0.003 0.000 0.193 435 E C 2.050 178.649 176.600 -0.002 0.000 0.988 435 E CA 0.856 57.246 56.400 -0.018 0.000 0.828 435 E CB -0.530 29.157 29.700 -0.022 0.000 0.763 435 E HN 0.436 nan 8.360 nan 0.000 0.478 436 A N 0.666 123.490 122.820 0.007 0.000 1.877 436 A HA -0.182 4.136 4.320 -0.003 0.000 0.216 436 A C 2.262 179.856 177.584 0.017 0.000 1.186 436 A CA 1.507 53.552 52.037 0.014 0.000 0.620 436 A CB -0.744 18.264 19.000 0.013 0.000 0.822 436 A HN 0.302 nan 8.150 nan 0.000 0.443 437 I N -0.245 120.336 120.570 0.020 0.000 2.264 437 I HA -0.309 3.859 4.170 -0.003 0.000 0.248 437 I C 2.100 178.237 176.117 0.034 0.000 1.111 437 I CA 1.861 63.178 61.300 0.028 0.000 1.382 437 I CB -0.602 37.419 38.000 0.035 0.000 1.060 437 I HN 0.444 nan 8.210 nan 0.000 0.418 438 N N 0.526 119.240 118.700 0.023 0.000 2.376 438 N HA 0.027 4.765 4.740 -0.003 0.000 0.177 438 N C 1.899 177.407 175.510 -0.003 0.000 1.024 438 N CA 0.575 53.630 53.050 0.007 0.000 0.893 438 N CB 0.187 38.642 38.487 -0.053 0.000 0.980 438 N HN 0.271 nan 8.380 nan 0.000 0.439 439 I N 0.749 121.321 120.570 0.004 0.000 2.233 439 I HA -0.199 3.969 4.170 -0.003 0.000 0.243 439 I C 1.984 178.117 176.117 0.026 0.000 1.093 439 I CA 0.967 62.277 61.300 0.017 0.000 1.380 439 I CB -0.214 37.804 38.000 0.029 0.000 1.067 439 I HN 0.180 nan 8.210 nan 0.000 0.413 440 M N 0.305 119.921 119.600 0.027 0.000 2.202 440 M HA -0.191 4.287 4.480 -0.003 0.000 0.262 440 M C 1.468 177.784 176.300 0.028 0.000 1.063 440 M CA 1.453 56.770 55.300 0.028 0.000 1.097 440 M CB -0.813 31.802 32.600 0.025 0.000 1.382 440 M HN 0.230 nan 8.290 nan 0.000 0.413 441 N N 1.012 119.729 118.700 0.028 0.000 2.609 441 N HA -0.041 4.697 4.740 -0.003 0.000 0.190 441 N C 0.309 175.837 175.510 0.030 0.000 1.157 441 N CA 0.766 53.834 53.050 0.031 0.000 0.918 441 N CB 0.063 38.574 38.487 0.040 0.000 0.978 441 N HN 0.419 nan 8.380 nan 0.000 0.448 442 R N -0.706 119.811 120.500 0.029 0.000 2.661 442 R HA 0.223 4.561 4.340 -0.003 0.000 0.429 442 R C -0.465 175.860 176.300 0.042 0.000 1.044 442 R CA -0.198 55.923 56.100 0.035 0.000 1.065 442 R CB 0.566 30.881 30.300 0.024 0.000 1.377 442 R HN -0.128 nan 8.270 nan 0.000 0.600 443 S N 1.923 117.646 115.700 0.039 0.000 2.515 443 S HA 0.113 4.581 4.470 -0.003 0.000 0.285 443 S C 0.103 174.727 174.600 0.041 0.000 1.265 443 S CA 0.193 58.418 58.200 0.041 0.000 1.079 443 S CB 0.081 63.302 63.200 0.035 0.000 0.877 443 S HN 0.242 nan 8.310 nan 0.000 0.493 444 N N 2.330 121.057 118.700 0.045 0.000 2.432 444 N HA 0.257 4.995 4.740 -0.003 0.000 0.292 444 N C 0.101 175.631 175.510 0.033 0.000 1.193 444 N CA -0.728 52.344 53.050 0.037 0.000 0.878 444 N CB 1.111 39.622 38.487 0.040 0.000 1.252 444 N HN 0.378 nan 8.380 nan 0.000 0.520 445 D N 0.377 120.789 120.400 0.020 0.000 2.309 445 D HA -0.026 4.612 4.640 -0.003 0.000 0.212 445 D C 1.312 177.628 176.300 0.026 0.000 0.968 445 D CA 0.880 54.891 54.000 0.019 0.000 0.882 445 D CB 0.208 41.011 40.800 0.005 0.000 0.918 445 D HN 0.578 nan 8.370 nan 0.000 0.503 446 A N -0.028 122.808 122.820 0.025 0.000 1.956 446 A HA 0.093 4.411 4.320 -0.003 0.000 0.212 446 A C 1.919 179.549 177.584 0.077 0.000 1.188 446 A CA 0.065 52.121 52.037 0.031 0.000 0.675 446 A CB -0.421 18.579 19.000 0.002 0.000 0.845 446 A HN 0.224 nan 8.150 nan 0.000 0.455 447 L N -0.017 121.250 121.223 0.074 0.000 2.201 447 L HA -0.105 4.233 4.340 -0.003 0.000 0.212 447 L C 2.158 179.129 176.870 0.169 0.000 1.105 447 L CA 1.280 56.184 54.840 0.106 0.000 0.775 447 L CB -0.310 41.791 42.059 0.071 0.000 0.913 447 L HN 0.422 nan 8.230 nan 0.000 0.440 448 I N -0.162 120.478 120.570 0.117 0.000 2.193 448 I HA -0.314 3.854 4.170 -0.003 0.000 0.240 448 I C 2.321 178.512 176.117 0.124 0.000 1.084 448 I CA 1.135 62.499 61.300 0.107 0.000 1.365 448 I CB -0.241 37.799 38.000 0.067 0.000 1.064 448 I HN 0.145 nan 8.210 nan 0.000 0.410 449 K N 0.205 120.673 120.400 0.112 0.000 2.281 449 K HA -0.218 4.099 4.320 -0.003 0.000 0.203 449 K C 1.901 178.604 176.600 0.172 0.000 1.046 449 K CA 1.431 57.783 56.287 0.108 0.000 0.938 449 K CB -0.202 32.336 32.500 0.064 0.000 0.737 449 K HN 0.164 nan 8.250 nan 0.000 0.458 450 F N 1.021 121.011 119.950 0.067 0.000 2.074 450 F HA -0.126 4.399 4.527 -0.003 0.000 0.293 450 F C 1.941 177.856 175.800 0.192 0.000 1.116 450 F CA 1.487 59.563 58.000 0.127 0.000 1.212 450 F CB -0.116 38.936 39.000 0.087 0.000 0.998 450 F HN -0.115 nan 8.300 nan 0.000 0.471 451 M N -0.134 119.587 119.600 0.202 0.000 2.159 451 M HA -0.198 4.280 4.480 -0.003 0.000 0.263 451 M C 2.057 178.381 176.300 0.040 0.000 1.063 451 M CA 1.762 57.108 55.300 0.077 0.000 1.110 451 M CB -0.717 31.956 32.600 0.120 0.000 1.374 451 M HN 0.199 nan 8.290 nan 0.000 0.411 452 E N -0.129 120.110 120.200 0.065 0.000 2.038 452 E HA -0.247 4.101 4.350 -0.003 0.000 0.195 452 E C 1.895 178.494 176.600 -0.001 0.000 1.000 452 E CA 1.724 58.145 56.400 0.035 0.000 0.803 452 E CB -0.267 29.462 29.700 0.049 0.000 0.750 452 E HN 0.527 nan 8.360 nan 0.000 0.448 453 Y N 0.854 121.085 120.300 -0.114 0.000 2.114 453 Y HA -0.275 4.273 4.550 -0.003 0.000 0.284 453 Y C 2.327 178.061 175.900 -0.275 0.000 1.143 453 Y CA 1.926 59.901 58.100 -0.208 0.000 1.135 453 Y CB -0.152 38.129 38.460 -0.300 0.000 0.980 453 Y HN 0.150 nan 8.280 nan 0.000 0.499 454 H N -0.789 118.189 119.070 -0.153 0.000 2.428 454 H HA -0.108 4.446 4.556 -0.003 0.000 0.296 454 H C 2.172 177.373 175.328 -0.212 0.000 1.062 454 H CA 1.594 57.460 56.048 -0.304 0.000 1.350 454 H CB 0.218 29.608 29.762 -0.621 0.000 1.403 454 H HN 0.346 nan 8.280 nan 0.000 0.533 455 I N 0.735 121.296 120.570 -0.015 0.000 2.277 455 I HA -0.176 3.992 4.170 -0.003 0.000 0.243 455 I C 2.634 178.740 176.117 -0.019 0.000 1.094 455 I CA 1.059 62.389 61.300 0.050 0.000 1.393 455 I CB -1.157 36.873 38.000 0.050 0.000 1.078 455 I HN 0.170 nan 8.210 nan 0.000 0.417 456 S N 0.159 115.806 115.700 -0.088 0.000 2.507 456 S HA -0.089 4.379 4.470 -0.003 0.000 0.235 456 S C 1.399 175.901 174.600 -0.164 0.000 0.988 456 S CA 0.844 58.979 58.200 -0.109 0.000 0.944 456 S CB -0.574 62.557 63.200 -0.115 0.000 0.762 456 S HN 0.458 nan 8.310 nan 0.000 0.526 457 N N 1.978 120.529 118.700 -0.248 0.000 2.235 457 N HA 0.069 4.807 4.740 -0.003 0.000 0.209 457 N C -0.206 175.248 175.510 -0.093 0.000 1.122 457 N CA 0.422 53.309 53.050 -0.272 0.000 0.845 457 N CB 0.726 38.853 38.487 -0.600 0.000 1.004 457 N HN 0.665 nan 8.380 nan 0.000 0.499 458 T N -1.618 112.935 114.554 -0.001 0.000 2.845 458 T HA 0.151 4.499 4.350 -0.003 0.000 0.288 458 T C -0.179 174.547 174.700 0.043 0.000 0.980 458 T CA -0.688 61.471 62.100 0.098 0.000 1.071 458 T CB 2.028 70.999 68.868 0.172 0.000 0.941 458 T HN -0.175 nan 8.240 nan 0.000 0.487 459 D N 2.417 122.827 120.400 0.016 0.000 2.435 459 D HA 0.153 4.791 4.640 -0.003 0.000 0.230 459 D C 1.150 177.427 176.300 -0.038 0.000 1.215 459 D CA -0.481 53.489 54.000 -0.051 0.000 0.947 459 D CB 0.511 41.239 40.800 -0.121 0.000 1.048 459 D HN 0.719 nan 8.370 nan 0.000 0.512 460 E N 0.813 121.018 120.200 0.008 0.000 2.169 460 E HA -0.259 4.089 4.350 -0.003 0.000 0.202 460 E C 1.672 178.275 176.600 0.005 0.000 1.016 460 E CA 1.488 57.906 56.400 0.030 0.000 0.817 460 E CB -0.178 29.529 29.700 0.012 0.000 0.736 460 E HN 0.336 nan 8.360 nan 0.000 0.462 461 T N 0.375 114.907 114.554 -0.037 0.000 2.699 461 T HA -0.196 4.152 4.350 -0.003 0.000 0.268 461 T C 1.535 176.186 174.700 -0.082 0.000 1.036 461 T CA 1.462 63.532 62.100 -0.051 0.000 1.147 461 T CB -0.151 68.682 68.868 -0.058 0.000 0.862 461 T HN 0.134 nan 8.240 nan 0.000 0.446 462 K N 0.038 120.325 120.400 -0.187 0.000 2.228 462 K HA 0.004 4.322 4.320 -0.003 0.000 0.205 462 K C 1.063 177.568 176.600 -0.158 0.000 1.045 462 K CA 0.921 57.013 56.287 -0.325 0.000 0.931 462 K CB -0.077 31.898 32.500 -0.875 0.000 0.727 462 K HN 0.483 nan 8.250 nan 0.000 0.458 463 G N -0.792 108.018 108.800 0.016 0.000 2.328 463 G HA2 -0.015 3.943 3.960 -0.003 0.000 0.295 463 G HA3 -0.015 3.943 3.960 -0.003 0.000 0.295 463 G C -0.474 174.517 174.900 0.152 0.000 1.413 463 G CA -0.656 44.527 45.100 0.138 0.000 0.817 463 G HN -0.029 nan 8.290 nan 0.000 0.546 464 E N -0.648 119.612 120.200 0.100 0.000 2.106 464 E HA -0.128 4.220 4.350 -0.003 0.000 0.192 464 E C 2.044 178.668 176.600 0.041 0.000 0.984 464 E CA 1.255 57.689 56.400 0.056 0.000 0.806 464 E CB 0.039 29.759 29.700 0.033 0.000 0.750 464 E HN 0.380 nan 8.360 nan 0.000 0.458 465 N N -0.307 118.416 118.700 0.037 0.000 2.223 465 N HA -0.147 4.591 4.740 -0.003 0.000 0.185 465 N C 1.243 176.650 175.510 -0.171 0.000 1.016 465 N CA 0.938 53.939 53.050 -0.082 0.000 0.863 465 N CB -0.267 38.139 38.487 -0.136 0.000 0.983 465 N HN 0.277 nan 8.380 nan 0.000 0.429 466 Y N 0.508 120.758 120.300 -0.083 0.000 2.314 466 Y HA -0.089 4.459 4.550 -0.003 0.000 0.293 466 Y C 2.521 178.364 175.900 -0.095 0.000 1.129 466 Y CA 0.893 58.928 58.100 -0.108 0.000 1.201 466 Y CB -0.208 38.208 38.460 -0.073 0.000 0.999 466 Y HN 0.055 nan 8.280 nan 0.000 0.541 467 Q N 0.372 120.214 119.800 0.071 0.000 2.050 467 Q HA -0.186 4.152 4.340 -0.003 0.000 0.202 467 Q C 2.151 178.138 176.000 -0.022 0.000 0.980 467 Q CA 1.534 57.350 55.803 0.022 0.000 0.840 467 Q CB -0.625 28.124 28.738 0.018 0.000 0.898 467 Q HN 0.441 nan 8.270 nan 0.000 0.424 468 L N -0.455 120.739 121.223 -0.048 0.000 1.990 468 L HA -0.171 4.167 4.340 -0.003 0.000 0.213 468 L C 2.137 178.947 176.870 -0.101 0.000 1.072 468 L CA 1.873 56.671 54.840 -0.070 0.000 0.755 468 L CB -0.948 41.063 42.059 -0.080 0.000 0.889 468 L HN 0.226 nan 8.230 nan 0.000 0.432 469 V N -0.306 119.501 119.914 -0.179 0.000 2.287 469 V HA -0.351 3.767 4.120 -0.003 0.000 0.248 469 V C 2.604 178.628 176.094 -0.116 0.000 1.053 469 V CA 2.308 64.464 62.300 -0.239 0.000 1.027 469 V CB -1.037 30.468 31.823 -0.530 0.000 0.646 469 V HN 0.532 nan 8.190 nan 0.000 0.447 470 K N 0.187 120.544 120.400 -0.072 0.000 2.026 470 K HA -0.175 4.143 4.320 -0.003 0.000 0.208 470 K C 2.220 178.816 176.600 -0.008 0.000 1.048 470 K CA 2.054 58.334 56.287 -0.011 0.000 0.929 470 K CB -0.392 32.112 32.500 0.008 0.000 0.713 470 K HN 0.585 nan 8.250 nan 0.000 0.439 471 T N 2.006 116.549 114.554 -0.017 0.000 2.643 471 T HA -0.176 4.172 4.350 -0.003 0.000 0.264 471 T C 1.708 176.402 174.700 -0.009 0.000 1.045 471 T CA 1.351 63.444 62.100 -0.011 0.000 1.155 471 T CB -0.464 68.396 68.868 -0.013 0.000 0.863 471 T HN 0.194 nan 8.240 nan 0.000 0.420 472 L N 1.918 123.130 121.223 -0.019 0.000 1.997 472 L HA -0.085 4.253 4.340 -0.003 0.000 0.216 472 L C 2.556 179.428 176.870 0.003 0.000 1.074 472 L CA 2.430 57.263 54.840 -0.013 0.000 0.763 472 L CB -1.356 40.686 42.059 -0.027 0.000 0.890 472 L HN 0.327 nan 8.230 nan 0.000 0.434 473 G N -1.203 107.603 108.800 0.009 0.000 2.491 473 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.218 473 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.218 473 G C 1.426 176.345 174.900 0.032 0.000 1.180 473 G CA 0.988 46.111 45.100 0.038 0.000 0.774 473 G HN 0.603 nan 8.290 nan 0.000 0.562 474 E N -0.315 119.897 120.200 0.020 0.000 2.110 474 E HA -0.175 4.173 4.350 -0.003 0.000 0.193 474 E C 2.496 179.105 176.600 0.015 0.000 0.988 474 E CA 1.171 57.581 56.400 0.015 0.000 0.804 474 E CB -0.113 29.591 29.700 0.008 0.000 0.745 474 E HN 0.439 nan 8.360 nan 0.000 0.458 475 Q N 0.979 120.787 119.800 0.012 0.000 2.050 475 Q HA -0.173 4.165 4.340 -0.003 0.000 0.202 475 Q C 2.043 178.053 176.000 0.017 0.000 0.980 475 Q CA 1.142 56.952 55.803 0.011 0.000 0.840 475 Q CB -0.338 28.404 28.738 0.007 0.000 0.898 475 Q HN 0.212 nan 8.270 nan 0.000 0.424 476 L N 0.103 121.339 121.223 0.022 0.000 2.042 476 L HA -0.106 4.232 4.340 -0.003 0.000 0.210 476 L C 2.127 179.018 176.870 0.035 0.000 1.076 476 L CA 1.654 56.511 54.840 0.029 0.000 0.749 476 L CB -0.714 41.367 42.059 0.037 0.000 0.893 476 L HN 0.393 nan 8.230 nan 0.000 0.432 477 I N -0.906 119.686 120.570 0.037 0.000 2.208 477 I HA -0.289 3.879 4.170 -0.003 0.000 0.245 477 I C 2.446 178.582 176.117 0.031 0.000 1.097 477 I CA 1.289 62.613 61.300 0.040 0.000 1.363 477 I CB -0.388 37.634 38.000 0.037 0.000 1.051 477 I HN 0.305 nan 8.210 nan 0.000 0.413 478 E N 1.838 122.052 120.200 0.023 0.000 2.038 478 E HA -0.224 4.124 4.350 -0.003 0.000 0.195 478 E C 1.860 178.472 176.600 0.019 0.000 1.000 478 E CA 1.782 58.193 56.400 0.018 0.000 0.803 478 E CB -0.226 29.482 29.700 0.013 0.000 0.750 478 E HN 0.355 nan 8.360 nan 0.000 0.448 479 N N -0.262 118.450 118.700 0.019 0.000 2.104 479 N HA -0.161 4.577 4.740 -0.003 0.000 0.190 479 N C 1.964 177.487 175.510 0.022 0.000 1.024 479 N CA 1.504 54.565 53.050 0.019 0.000 0.853 479 N CB -0.946 37.552 38.487 0.019 0.000 1.008 479 N HN 0.270 nan 8.380 nan 0.000 0.424 480 C N 1.061 120.378 119.300 0.028 0.000 2.435 480 C HA 0.010 4.468 4.460 -0.003 0.000 0.279 480 C C 2.433 177.440 174.990 0.029 0.000 1.321 480 C CA 0.193 59.231 59.018 0.032 0.000 1.752 480 C CB -0.661 27.105 27.740 0.044 0.000 1.959 480 C HN 0.472 nan 8.230 nan 0.000 0.500 481 K N 0.429 120.845 120.400 0.027 0.000 2.097 481 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 481 K C 2.184 178.795 176.600 0.018 0.000 1.049 481 K CA 1.388 57.688 56.287 0.022 0.000 0.933 481 K CB -0.157 32.355 32.500 0.020 0.000 0.717 481 K HN 0.656 nan 8.250 nan 0.000 0.442 482 Q N 0.065 119.874 119.800 0.016 0.000 2.096 482 Q HA -0.060 4.278 4.340 -0.003 0.000 0.197 482 Q C 1.923 177.930 176.000 0.013 0.000 0.964 482 Q CA 1.085 56.895 55.803 0.012 0.000 0.838 482 Q CB 0.097 28.841 28.738 0.010 0.000 0.906 482 Q HN 0.083 nan 8.270 nan 0.000 0.444 483 V N 1.352 121.276 119.914 0.015 0.000 3.380 483 V HA -0.033 4.084 4.120 -0.003 0.000 0.268 483 V C 1.203 177.307 176.094 0.017 0.000 1.168 483 V CA 0.349 62.658 62.300 0.015 0.000 1.156 483 V CB -0.596 31.238 31.823 0.018 0.000 0.785 483 V HN 0.302 nan 8.190 nan 0.000 0.487 484 L N 1.355 122.589 121.223 0.018 0.000 2.485 484 L HA 0.072 4.410 4.340 -0.003 0.000 0.275 484 L C 0.747 177.626 176.870 0.014 0.000 1.207 484 L CA 0.446 55.297 54.840 0.019 0.000 0.855 484 L CB 0.164 42.234 42.059 0.019 0.000 1.114 484 L HN 0.419 nan 8.230 nan 0.000 0.485 485 D N 1.863 122.271 120.400 0.014 0.000 2.945 485 D HA -0.156 4.482 4.640 -0.003 0.000 0.225 485 D C -0.816 175.489 176.300 0.009 0.000 1.158 485 D CA 0.543 54.550 54.000 0.011 0.000 0.805 485 D CB -1.211 39.594 40.800 0.009 0.000 1.098 485 D HN 0.152 nan 8.370 nan 0.000 0.426 486 V N 0.468 120.388 119.914 0.010 0.000 2.760 486 V HA 0.205 4.323 4.120 -0.003 0.000 0.309 486 V C -0.022 176.076 176.094 0.006 0.000 1.077 486 V CA -1.017 61.288 62.300 0.007 0.000 0.910 486 V CB 2.479 34.306 31.823 0.007 0.000 1.008 486 V HN -0.123 nan 8.190 nan 0.000 0.424 487 D N 5.103 125.503 120.400 0.000 0.000 2.472 487 D HA 0.188 4.826 4.640 -0.003 0.000 0.237 487 D C -2.287 174.010 176.300 -0.005 0.000 1.141 487 D CA -0.458 53.539 54.000 -0.005 0.000 0.875 487 D CB 0.893 41.683 40.800 -0.017 0.000 1.192 487 D HN 0.290 nan 8.370 nan 0.000 0.450 488 P HA 0.208 nan 4.420 nan 0.000 0.274 488 P C -0.665 176.633 177.300 -0.003 0.000 1.231 488 P CA -0.498 62.610 63.100 0.013 0.000 0.790 488 P CB 0.929 32.648 31.700 0.031 0.000 0.951 489 V N 2.663 122.584 119.914 0.012 0.000 2.925 489 V HA 0.369 4.487 4.120 -0.003 0.000 0.311 489 V C -1.560 174.574 176.094 0.067 0.000 1.104 489 V CA -0.945 61.350 62.300 -0.008 0.000 0.954 489 V CB 1.890 33.697 31.823 -0.028 0.000 1.022 489 V HN 0.442 nan 8.190 nan 0.000 0.427 490 Y N 6.067 126.326 120.300 -0.068 0.000 2.452 490 Y HA 0.607 5.155 4.550 -0.003 0.000 0.348 490 Y C -0.178 175.748 175.900 0.043 0.000 0.985 490 Y CA -0.324 57.790 58.100 0.024 0.000 1.214 490 Y CB 0.456 38.973 38.460 0.095 0.000 1.136 490 Y HN 0.592 nan 8.280 nan 0.000 0.523 491 K N 5.743 125.967 120.400 -0.293 0.000 2.613 491 K HA 0.205 4.523 4.320 -0.003 0.000 0.248 491 K C -1.901 174.548 176.600 -0.252 0.000 0.959 491 K CA -0.646 55.428 56.287 -0.354 0.000 0.855 491 K CB 0.857 33.270 32.500 -0.145 0.000 1.143 491 K HN 0.744 nan 8.250 nan 0.000 0.437 492 D N 3.143 123.343 120.400 -0.333 0.000 2.249 492 D HA 0.157 4.795 4.640 -0.003 0.000 0.246 492 D C 0.063 176.275 176.300 -0.147 0.000 1.114 492 D CA -0.244 53.668 54.000 -0.147 0.000 0.854 492 D CB 1.733 42.482 40.800 -0.085 0.000 1.132 492 D HN 0.210 nan 8.370 nan 0.000 0.461 493 V N 3.021 122.888 119.914 -0.078 0.000 3.556 493 V HA 0.333 4.451 4.120 -0.003 0.000 0.287 493 V C 0.841 176.900 176.094 -0.057 0.000 1.422 493 V CA 0.361 62.619 62.300 -0.070 0.000 1.038 493 V CB -0.182 31.620 31.823 -0.035 0.000 0.850 493 V HN 0.773 nan 8.190 nan 0.000 0.437 494 A N 0.892 123.684 122.820 -0.045 0.000 2.586 494 A HA 0.029 4.347 4.320 -0.003 0.000 0.231 494 A C 0.480 178.031 177.584 -0.054 0.000 1.055 494 A CA 0.524 52.541 52.037 -0.034 0.000 0.756 494 A CB -0.108 18.881 19.000 -0.020 0.000 0.988 494 A HN 0.401 nan 8.150 nan 0.000 0.509 495 K N 2.247 122.625 120.400 -0.037 0.000 2.349 495 K HA 0.274 4.592 4.320 -0.003 0.000 0.288 495 K C -2.445 174.127 176.600 -0.046 0.000 1.058 495 K CA -1.405 54.858 56.287 -0.040 0.000 0.953 495 K CB 0.212 32.696 32.500 -0.026 0.000 0.997 495 K HN 0.402 nan 8.250 nan 0.000 0.477 496 P HA -0.000 nan 4.420 nan 0.000 0.268 496 P C -0.821 176.460 177.300 -0.032 0.000 1.204 496 P CA -0.141 62.924 63.100 -0.059 0.000 0.768 496 P CB 1.020 32.686 31.700 -0.056 0.000 0.842 497 T N -0.132 114.408 114.554 -0.023 0.000 2.907 497 T HA 0.845 5.193 4.350 -0.003 0.000 0.290 497 T C -0.137 174.558 174.700 -0.007 0.000 1.066 497 T CA -0.818 61.272 62.100 -0.017 0.000 1.012 497 T CB 2.007 70.867 68.868 -0.014 0.000 1.184 497 T HN 0.382 nan 8.240 nan 0.000 0.522 498 G N 0.277 109.064 108.800 -0.021 0.000 2.733 498 G HA2 0.753 4.711 3.960 -0.003 0.000 0.288 498 G HA3 0.753 4.711 3.960 -0.003 0.000 0.288 498 G C -3.351 171.532 174.900 -0.029 0.000 1.373 498 G CA -1.831 43.258 45.100 -0.019 0.000 0.895 498 G HN 0.696 nan 8.290 nan 0.000 0.479 499 P HA 0.437 nan 4.420 nan 0.000 0.290 499 P C -1.113 176.147 177.300 -0.067 0.000 1.276 499 P CA -0.514 62.617 63.100 0.051 0.000 0.808 499 P CB 1.615 33.441 31.700 0.210 0.000 0.966 500 K N 1.488 121.725 120.400 -0.272 0.000 2.613 500 K HA 0.487 4.805 4.320 -0.003 0.000 0.248 500 K C -1.156 175.364 176.600 -0.134 0.000 0.959 500 K CA -0.267 55.915 56.287 -0.174 0.000 0.855 500 K CB 0.945 33.339 32.500 -0.177 0.000 1.143 500 K HN 0.297 nan 8.250 nan 0.000 0.437 501 T N 1.841 116.422 114.554 0.045 0.000 2.859 501 T HA 0.768 5.116 4.350 -0.003 0.000 0.281 501 T C -1.128 173.596 174.700 0.039 0.000 1.005 501 T CA -0.679 61.487 62.100 0.110 0.000 1.025 501 T CB 1.613 70.573 68.868 0.152 0.000 0.977 501 T HN 0.608 nan 8.240 nan 0.000 0.458 502 A N 3.021 125.862 122.820 0.036 0.000 2.459 502 A HA 0.733 5.051 4.320 -0.003 0.000 0.296 502 A C -0.811 176.786 177.584 0.021 0.000 1.039 502 A CA -0.784 51.263 52.037 0.016 0.000 0.698 502 A CB 0.859 19.858 19.000 -0.001 0.000 1.261 502 A HN 0.842 nan 8.150 nan 0.000 0.405 503 I N 2.244 122.823 120.570 0.015 0.000 2.321 503 I HA 0.205 4.373 4.170 -0.003 0.000 0.291 503 I C 0.310 176.431 176.117 0.006 0.000 0.998 503 I CA -0.726 60.581 61.300 0.012 0.000 1.227 503 I CB 1.087 39.093 38.000 0.010 0.000 1.368 503 I HN 0.663 nan 8.210 nan 0.000 0.466 504 D N 4.769 125.172 120.400 0.006 0.000 2.303 504 D HA -0.161 4.477 4.640 -0.003 0.000 0.233 504 D C 0.961 177.261 176.300 -0.000 0.000 1.313 504 D CA 0.682 54.683 54.000 0.002 0.000 0.883 504 D CB 0.781 41.582 40.800 0.003 0.000 1.220 504 D HN 0.547 nan 8.370 nan 0.000 0.490 505 K N 0.409 120.808 120.400 -0.003 0.000 2.459 505 K HA 0.053 4.371 4.320 -0.003 0.000 0.193 505 K C 0.680 177.276 176.600 -0.006 0.000 1.030 505 K CA 0.301 56.585 56.287 -0.005 0.000 1.026 505 K CB 0.115 32.610 32.500 -0.007 0.000 0.809 505 K HN 0.300 nan 8.250 nan 0.000 0.504 506 N N -0.142 118.555 118.700 -0.005 0.000 2.338 506 N HA 0.056 4.794 4.740 -0.003 0.000 0.251 506 N C -0.380 175.129 175.510 -0.002 0.000 1.199 506 N CA 0.316 53.363 53.050 -0.005 0.000 0.879 506 N CB 1.243 39.726 38.487 -0.006 0.000 1.159 506 N HN 0.289 nan 8.380 nan 0.000 0.514 507 G N 1.558 110.358 108.800 0.000 0.000 2.198 507 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.260 507 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.260 507 G C -0.370 174.532 174.900 0.004 0.000 1.025 507 G CA -0.219 44.883 45.100 0.002 0.000 0.769 507 G HN 0.338 nan 8.290 nan 0.000 0.507 508 N N 0.611 119.314 118.700 0.006 0.000 2.437 508 N HA 0.381 5.119 4.740 -0.003 0.000 0.243 508 N C 0.761 176.280 175.510 0.015 0.000 1.041 508 N CA -0.118 52.938 53.050 0.009 0.000 0.940 508 N CB 0.630 39.121 38.487 0.008 0.000 1.133 508 N HN 0.467 nan 8.380 nan 0.000 0.506 509 I N 0.808 121.389 120.570 0.019 0.000 2.396 509 I HA 0.170 4.338 4.170 -0.003 0.000 0.289 509 I C 0.622 176.766 176.117 0.045 0.000 1.056 509 I CA 0.056 61.373 61.300 0.029 0.000 1.365 509 I CB 0.449 38.465 38.000 0.025 0.000 1.407 509 I HN 0.067 nan 8.210 nan 0.000 0.509 510 T N 5.210 119.798 114.554 0.058 0.000 2.861 510 T HA 0.405 4.753 4.350 -0.003 0.000 0.287 510 T C -1.366 173.408 174.700 0.124 0.000 1.003 510 T CA -0.492 61.651 62.100 0.073 0.000 0.977 510 T CB 1.300 70.190 68.868 0.036 0.000 0.996 510 T HN 0.407 nan 8.240 nan 0.000 0.448 511 Y N 2.110 122.411 120.300 0.002 0.000 2.350 511 Y HA 0.665 5.213 4.550 -0.003 0.000 0.338 511 Y C -0.208 175.695 175.900 0.005 0.000 0.961 511 Y CA -0.471 57.632 58.100 0.004 0.000 1.100 511 Y CB 1.590 40.056 38.460 0.010 0.000 1.179 511 Y HN 0.597 nan 8.280 nan 0.000 0.454 512 S N 3.826 119.175 115.700 -0.586 0.000 2.638 512 S HA 0.492 4.960 4.470 -0.003 0.000 0.302 512 S C -1.475 172.692 174.600 -0.721 0.000 1.096 512 S CA -0.730 57.192 58.200 -0.463 0.000 0.953 512 S CB 1.487 64.542 63.200 -0.241 0.000 1.107 512 S HN 0.767 nan 8.310 nan 0.000 0.503 513 E N 1.603 121.589 120.200 -0.357 0.000 2.101 513 E HA 0.307 4.655 4.350 -0.003 0.000 0.260 513 E C -0.883 175.634 176.600 -0.139 0.000 0.897 513 E CA -0.487 55.771 56.400 -0.237 0.000 0.744 513 E CB 0.569 30.219 29.700 -0.083 0.000 1.140 513 E HN 0.462 nan 8.360 nan 0.000 0.419 514 E N 3.406 123.525 120.200 -0.135 0.000 2.283 514 E HA 0.319 4.667 4.350 -0.003 0.000 0.267 514 E C -2.319 174.247 176.600 -0.057 0.000 1.045 514 E CA -2.538 53.809 56.400 -0.087 0.000 0.884 514 E CB 0.611 30.259 29.700 -0.085 0.000 1.106 514 E HN 0.340 nan 8.360 nan 0.000 0.408 515 P HA 0.087 nan 4.420 nan 0.000 0.271 515 P C -0.308 176.975 177.300 -0.028 0.000 1.216 515 P CA 0.070 63.152 63.100 -0.031 0.000 0.771 515 P CB 0.492 32.176 31.700 -0.026 0.000 0.864 516 R N 2.599 123.087 120.500 -0.021 0.000 2.442 516 R HA 0.005 4.343 4.340 -0.003 0.000 0.291 516 R C 1.420 177.713 176.300 -0.012 0.000 1.069 516 R CA 0.085 56.175 56.100 -0.016 0.000 1.022 516 R CB 0.307 30.604 30.300 -0.005 0.000 0.976 516 R HN 0.620 nan 8.270 nan 0.000 0.443 517 E N 2.851 123.043 120.200 -0.013 0.000 2.049 517 E HA -0.231 4.117 4.350 -0.003 0.000 0.198 517 E C 0.741 177.339 176.600 -0.004 0.000 1.007 517 E CA 1.653 58.047 56.400 -0.010 0.000 0.809 517 E CB 0.234 29.928 29.700 -0.010 0.000 0.749 517 E HN 0.349 nan 8.360 nan 0.000 0.450 518 K N -0.403 119.998 120.400 0.000 0.000 2.397 518 K HA 0.182 4.500 4.320 -0.003 0.000 0.202 518 K C -1.216 175.391 176.600 0.012 0.000 1.022 518 K CA -0.244 56.047 56.287 0.006 0.000 1.141 518 K CB 1.096 33.600 32.500 0.008 0.000 0.857 518 K HN -0.072 nan 8.250 nan 0.000 0.514 519 V N 0.456 120.377 119.914 0.011 0.000 2.577 519 V HA 0.331 4.449 4.120 -0.003 0.000 0.303 519 V C 0.091 176.187 176.094 0.003 0.000 1.042 519 V CA -0.648 61.663 62.300 0.018 0.000 0.872 519 V CB 1.811 33.660 31.823 0.043 0.000 0.998 519 V HN 0.211 nan 8.190 nan 0.000 0.423 520 R N 2.096 122.594 120.500 -0.004 0.000 2.562 520 R HA 0.348 4.686 4.340 -0.003 0.000 0.191 520 R C 0.299 176.576 176.300 -0.038 0.000 0.835 520 R CA -0.382 55.707 56.100 -0.017 0.000 1.036 520 R CB 0.634 30.929 30.300 -0.008 0.000 1.437 520 R HN 0.349 nan 8.270 nan 0.000 0.654 521 K N 1.352 121.726 120.400 -0.044 0.000 2.123 521 K HA 0.249 4.567 4.320 -0.003 0.000 0.248 521 K C 0.902 177.423 176.600 -0.132 0.000 0.969 521 K CA -0.451 55.782 56.287 -0.089 0.000 0.882 521 K CB 1.523 33.974 32.500 -0.083 0.000 1.080 521 K HN -0.084 nan 8.250 nan 0.000 0.441 522 L N 1.301 122.384 121.223 -0.234 0.000 2.131 522 L HA -0.166 4.172 4.340 -0.003 0.000 0.210 522 L C 2.384 179.112 176.870 -0.237 0.000 1.092 522 L CA 1.480 56.112 54.840 -0.347 0.000 0.759 522 L CB -1.137 40.538 42.059 -0.640 0.000 0.903 522 L HN 0.747 nan 8.230 nan 0.000 0.435 523 S N -0.158 115.354 115.700 -0.313 0.000 2.368 523 S HA -0.301 4.167 4.470 -0.003 0.000 0.226 523 S C 1.867 176.379 174.600 -0.147 0.000 1.044 523 S CA 1.791 59.752 58.200 -0.398 0.000 1.062 523 S CB -0.102 62.709 63.200 -0.648 0.000 0.931 523 S HN 0.536 nan 8.310 nan 0.000 0.440 524 Q N -1.258 118.503 119.800 -0.066 0.000 2.291 524 Q HA -0.094 4.244 4.340 -0.003 0.000 0.205 524 Q C 1.873 177.902 176.000 0.047 0.000 0.970 524 Q CA 1.498 57.303 55.803 0.004 0.000 0.876 524 Q CB -0.256 28.491 28.738 0.014 0.000 0.935 524 Q HN 0.898 nan 8.270 nan 0.000 0.455 525 Y N -0.013 120.240 120.300 -0.077 0.000 2.263 525 Y HA -0.175 4.373 4.550 -0.003 0.000 0.292 525 Y C 1.897 177.823 175.900 0.043 0.000 1.130 525 Y CA 0.932 59.016 58.100 -0.027 0.000 1.179 525 Y CB -0.058 38.355 38.460 -0.079 0.000 0.998 525 Y HN -0.175 nan 8.280 nan 0.000 0.532 526 V N 0.769 120.696 119.914 0.022 0.000 2.407 526 V HA -0.324 3.794 4.120 -0.003 0.000 0.248 526 V C 2.336 178.404 176.094 -0.043 0.000 1.055 526 V CA 2.288 64.577 62.300 -0.017 0.000 1.049 526 V CB -0.717 31.154 31.823 0.081 0.000 0.662 526 V HN 0.435 nan 8.190 nan 0.000 0.455 527 Q N -0.240 119.550 119.800 -0.018 0.000 2.084 527 Q HA -0.250 4.088 4.340 -0.003 0.000 0.202 527 Q C 2.348 178.342 176.000 -0.010 0.000 0.978 527 Q CA 2.082 57.886 55.803 0.001 0.000 0.844 527 Q CB -0.168 28.581 28.738 0.019 0.000 0.898 527 Q HN 0.757 nan 8.270 nan 0.000 0.426 528 E N -0.433 119.751 120.200 -0.026 0.000 2.085 528 E HA -0.269 4.079 4.350 -0.003 0.000 0.194 528 E C 1.772 178.403 176.600 0.051 0.000 0.994 528 E CA 1.382 57.785 56.400 0.005 0.000 0.801 528 E CB 0.009 29.704 29.700 -0.008 0.000 0.743 528 E HN 0.268 nan 8.360 nan 0.000 0.453 529 M N 0.596 120.182 119.600 -0.024 0.000 2.117 529 M HA -0.082 4.396 4.480 -0.003 0.000 0.262 529 M C 2.157 178.488 176.300 0.051 0.000 1.065 529 M CA 1.882 57.237 55.300 0.092 0.000 1.114 529 M CB -0.425 32.160 32.600 -0.026 0.000 1.361 529 M HN 0.274 nan 8.290 nan 0.000 0.408 530 A N -0.861 121.968 122.820 0.015 0.000 2.015 530 A HA -0.053 4.265 4.320 -0.003 0.000 0.219 530 A C 2.126 179.677 177.584 -0.054 0.000 1.163 530 A CA 1.112 53.156 52.037 0.012 0.000 0.646 530 A CB -0.854 18.165 19.000 0.033 0.000 0.806 530 A HN 0.483 nan 8.150 nan 0.000 0.448 531 L N -1.409 119.769 121.223 -0.076 0.000 2.240 531 L HA 0.136 4.474 4.340 -0.003 0.000 0.211 531 L C 1.753 178.469 176.870 -0.256 0.000 1.106 531 L CA 0.518 55.289 54.840 -0.115 0.000 0.793 531 L CB -1.196 40.824 42.059 -0.064 0.000 0.927 531 L HN 0.631 nan 8.230 nan 0.000 0.446 532 G N -0.326 108.200 108.800 -0.457 0.000 2.601 532 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.252 532 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.252 532 G C 0.063 174.566 174.900 -0.662 0.000 1.294 532 G CA -0.342 44.106 45.100 -1.087 0.000 0.912 532 G HN 0.557 nan 8.290 nan 0.000 0.574 533 G N -1.994 106.474 108.800 -0.554 0.000 3.015 533 G HA2 0.804 4.762 3.960 -0.003 0.000 0.281 533 G HA3 0.804 4.762 3.960 -0.003 0.000 0.281 533 G C -1.332 173.463 174.900 -0.175 0.000 1.386 533 G CA 0.271 45.294 45.100 -0.129 0.000 0.959 533 G HN 0.715 nan 8.290 nan 0.000 0.522 534 P HA 0.010 nan 4.420 nan 0.000 0.229 534 P C 1.525 178.730 177.300 -0.158 0.000 1.160 534 P CA 0.458 63.489 63.100 -0.116 0.000 0.777 534 P CB 0.552 32.211 31.700 -0.068 0.000 0.814 535 I N 0.182 120.654 120.570 -0.164 0.000 3.111 535 I HA -0.016 4.152 4.170 -0.003 0.000 0.272 535 I C 0.472 176.259 176.117 -0.550 0.000 1.268 535 I CA 0.757 61.924 61.300 -0.222 0.000 1.467 535 I CB 0.091 38.038 38.000 -0.089 0.000 1.087 535 I HN -0.063 nan 8.210 nan 0.000 0.467 536 T N -0.510 113.684 114.554 -0.599 0.000 3.016 536 T HA 0.245 4.593 4.350 -0.003 0.000 0.335 536 T C 0.424 174.845 174.700 -0.465 0.000 1.176 536 T CA -0.560 61.038 62.100 -0.835 0.000 0.987 536 T CB 0.758 69.201 68.868 -0.707 0.000 1.073 536 T HN 0.194 nan 8.240 nan 0.000 0.547 537 K N 2.522 122.703 120.400 -0.365 0.000 2.530 537 K HA 0.255 4.573 4.320 -0.003 0.000 0.218 537 K C 0.917 177.435 176.600 -0.136 0.000 1.064 537 K CA -0.194 55.975 56.287 -0.197 0.000 1.084 537 K CB 0.079 32.500 32.500 -0.131 0.000 1.392 537 K HN 0.653 nan 8.250 nan 0.000 0.465 538 E N 0.346 120.503 120.200 -0.073 0.000 2.570 538 E HA -0.111 4.237 4.350 -0.003 0.000 0.263 538 E C 0.714 177.294 176.600 -0.033 0.000 1.390 538 E CA 0.141 56.524 56.400 -0.027 0.000 1.115 538 E CB 0.280 29.989 29.700 0.015 0.000 0.970 538 E HN 0.136 nan 8.360 nan 0.000 0.545 539 S N -0.920 114.786 115.700 0.010 0.000 2.520 539 S HA -0.010 4.458 4.470 -0.003 0.000 0.219 539 S C -0.313 174.349 174.600 0.104 0.000 1.028 539 S CA 0.098 58.317 58.200 0.032 0.000 0.921 539 S CB 0.038 63.286 63.200 0.080 0.000 0.844 539 S HN 0.489 nan 8.310 nan 0.000 0.495 600 D N 2.537 122.967 120.400 0.049 0.000 2.317 600 D HA 0.591 5.229 4.640 -0.003 0.000 0.234 600 D C -0.645 175.679 176.300 0.041 0.000 1.112 600 D CA 0.133 54.162 54.000 0.049 0.000 0.840 600 D CB 1.561 42.380 40.800 0.032 0.000 1.078 600 D HN 0.523 nan 8.370 nan 0.000 0.486 601 V N 2.654 122.606 119.914 0.063 0.000 2.592 601 V HA 0.138 4.256 4.120 -0.003 0.000 0.278 601 V C 0.319 176.443 176.094 0.050 0.000 1.087 601 V CA -0.890 61.438 62.300 0.047 0.000 1.282 601 V CB 0.069 31.936 31.823 0.073 0.000 1.543 601 V HN 0.378 nan 8.190 nan 0.000 0.606 602 E N 2.792 123.012 120.200 0.033 0.000 3.311 602 E HA -0.161 4.187 4.350 -0.003 0.000 0.264 602 E C -0.257 176.361 176.600 0.031 0.000 0.875 602 E CA 0.748 57.166 56.400 0.029 0.000 0.969 602 E CB 0.016 29.726 29.700 0.017 0.000 0.910 602 E HN 0.767 nan 8.360 nan 0.000 0.548 603 D N 2.968 123.388 120.400 0.033 0.000 2.210 603 D HA 0.427 5.065 4.640 -0.003 0.000 0.249 603 D C -0.003 176.308 176.300 0.017 0.000 1.062 603 D CA -0.151 53.868 54.000 0.031 0.000 0.891 603 D CB 1.539 42.357 40.800 0.031 0.000 1.186 603 D HN 0.424 nan 8.370 nan 0.000 0.432 604 A N 2.020 124.849 122.820 0.014 0.000 2.346 604 A HA 0.082 4.400 4.320 -0.003 0.000 0.242 604 A C 1.340 178.927 177.584 0.005 0.000 1.323 604 A CA -0.097 51.944 52.037 0.008 0.000 0.940 604 A CB -0.956 18.048 19.000 0.006 0.000 0.943 604 A HN 0.662 nan 8.150 nan 0.000 0.501 605 L N -0.380 120.846 121.223 0.005 0.000 1.899 605 L HA -0.157 4.181 4.340 -0.003 0.000 0.223 605 L C 1.266 178.134 176.870 -0.003 0.000 1.088 605 L CA 1.631 56.471 54.840 0.001 0.000 0.788 605 L CB -0.309 41.749 42.059 -0.002 0.000 0.889 605 L HN 0.471 nan 8.230 nan 0.000 0.431 606 D N -0.267 120.131 120.400 -0.004 0.000 2.400 606 D HA -0.062 4.576 4.640 -0.003 0.000 0.243 606 D C 1.227 177.525 176.300 -0.004 0.000 1.184 606 D CA 0.214 54.211 54.000 -0.005 0.000 0.853 606 D CB 0.262 41.058 40.800 -0.007 0.000 0.944 606 D HN 0.500 nan 8.370 nan 0.000 0.501 607 K N 0.413 120.811 120.400 -0.003 0.000 2.325 607 K HA -0.016 4.302 4.320 -0.003 0.000 0.203 607 K C -0.060 176.538 176.600 -0.003 0.000 1.128 607 K CA 0.236 56.522 56.287 -0.003 0.000 0.931 607 K CB 0.877 33.376 32.500 -0.001 0.000 1.125 607 K HN -0.159 nan 8.250 nan 0.000 0.487 608 D N 0.940 121.338 120.400 -0.003 0.000 2.328 608 D HA 0.264 4.902 4.640 -0.003 0.000 0.243 608 D C -0.261 176.037 176.300 -0.004 0.000 1.324 608 D CA -0.271 53.727 54.000 -0.004 0.000 0.966 608 D CB 1.791 42.589 40.800 -0.003 0.000 1.324 608 D HN 0.065 nan 8.370 nan 0.000 0.549 609 S N 0.905 116.602 115.700 -0.006 0.000 2.359 609 S HA -0.142 4.326 4.470 -0.003 0.000 0.224 609 S C 1.819 176.416 174.600 -0.004 0.000 1.035 609 S CA 1.568 59.764 58.200 -0.005 0.000 1.018 609 S CB -0.025 63.171 63.200 -0.008 0.000 0.876 609 S HN 0.612 nan 8.310 nan 0.000 0.448 610 T N 1.796 116.345 114.554 -0.007 0.000 2.685 610 T HA -0.185 4.163 4.350 -0.003 0.000 0.268 610 T C 1.809 176.508 174.700 -0.002 0.000 1.034 610 T CA 1.565 63.662 62.100 -0.006 0.000 1.149 610 T CB -0.233 68.629 68.868 -0.009 0.000 0.860 610 T HN 0.383 nan 8.240 nan 0.000 0.449 611 K N 0.509 120.908 120.400 -0.002 0.000 2.025 611 K HA -0.107 4.211 4.320 -0.003 0.000 0.207 611 K C 2.425 179.028 176.600 0.004 0.000 1.049 611 K CA 1.095 57.382 56.287 0.001 0.000 0.933 611 K CB 0.011 32.511 32.500 0.001 0.000 0.714 611 K HN 0.180 nan 8.250 nan 0.000 0.438 612 E N 0.409 120.612 120.200 0.004 0.000 2.110 612 E HA -0.151 4.197 4.350 -0.003 0.000 0.193 612 E C 2.010 178.615 176.600 0.008 0.000 0.988 612 E CA 0.889 57.294 56.400 0.008 0.000 0.804 612 E CB -0.067 29.637 29.700 0.007 0.000 0.745 612 E HN 0.115 nan 8.360 nan 0.000 0.458 613 V N 1.321 121.238 119.914 0.006 0.000 2.407 613 V HA -0.260 3.858 4.120 -0.003 0.000 0.248 613 V C 2.372 178.471 176.094 0.009 0.000 1.055 613 V CA 1.729 64.034 62.300 0.007 0.000 1.049 613 V CB -0.679 31.148 31.823 0.006 0.000 0.662 613 V HN 0.255 nan 8.190 nan 0.000 0.455 614 A N -0.647 122.177 122.820 0.007 0.000 2.067 614 A HA -0.177 4.141 4.320 -0.003 0.000 0.219 614 A C 2.519 180.107 177.584 0.007 0.000 1.158 614 A CA 1.854 53.895 52.037 0.006 0.000 0.661 614 A CB -0.500 18.502 19.000 0.004 0.000 0.801 614 A HN 0.563 nan 8.150 nan 0.000 0.452 615 S N -0.389 115.316 115.700 0.009 0.000 2.414 615 S HA -0.040 4.428 4.470 -0.003 0.000 0.227 615 S C 1.912 176.521 174.600 0.014 0.000 1.022 615 S CA 0.905 59.112 58.200 0.010 0.000 0.958 615 S CB -0.553 62.657 63.200 0.015 0.000 0.797 615 S HN 0.489 nan 8.310 nan 0.000 0.493 616 L N 1.500 122.732 121.223 0.015 0.000 2.034 616 L HA -0.099 4.239 4.340 -0.003 0.000 0.217 616 L C -0.727 176.153 176.870 0.015 0.000 1.077 616 L CA 1.700 56.550 54.840 0.017 0.000 0.769 616 L CB -1.728 40.339 42.059 0.014 0.000 0.890 616 L HN 0.347 nan 8.230 nan 0.000 0.435 617 P HA -0.064 nan 4.420 nan 0.000 0.237 617 P C -0.454 176.850 177.300 0.007 0.000 1.178 617 P CA 0.840 63.946 63.100 0.010 0.000 0.766 617 P CB -0.126 31.579 31.700 0.009 0.000 0.876 618 N N 0.553 119.256 118.700 0.006 0.000 2.419 618 N HA 0.156 4.894 4.740 -0.003 0.000 0.264 618 N C -0.195 175.313 175.510 -0.004 0.000 1.031 618 N CA -0.538 52.511 53.050 -0.002 0.000 0.951 618 N CB 0.724 39.206 38.487 -0.009 0.000 1.101 618 N HN -0.101 nan 8.380 nan 0.000 0.488 619 K N 1.486 121.880 120.400 -0.009 0.000 2.383 619 K HA 0.113 4.431 4.320 -0.003 0.000 0.286 619 K C -0.370 176.205 176.600 -0.041 0.000 1.051 619 K CA -0.078 56.203 56.287 -0.010 0.000 0.974 619 K CB 0.442 32.938 32.500 -0.007 0.000 0.968 619 K HN 0.489 nan 8.250 nan 0.000 0.475 620 S N 2.323 117.987 115.700 -0.060 0.000 2.510 620 S HA 0.073 4.541 4.470 -0.003 0.000 0.279 620 S C -0.146 174.355 174.600 -0.165 0.000 1.284 620 S CA -0.559 57.530 58.200 -0.184 0.000 1.059 620 S CB 0.769 63.731 63.200 -0.396 0.000 0.901 620 S HN 0.469 nan 8.310 nan 0.000 0.491 621 T N 4.371 118.827 114.554 -0.163 0.000 2.767 621 T HA 0.613 4.961 4.350 -0.003 0.000 0.284 621 T C 0.147 174.761 174.700 -0.144 0.000 0.973 621 T CA -0.628 61.404 62.100 -0.113 0.000 0.996 621 T CB 0.041 68.863 68.868 -0.076 0.000 0.927 621 T HN 0.578 nan 8.240 nan 0.000 0.456 622 I N 0.105 120.616 120.570 -0.098 0.000 2.582 622 I HA 0.524 4.691 4.170 -0.003 0.000 0.292 622 I C 0.663 176.765 176.117 -0.025 0.000 1.066 622 I CA -1.128 60.126 61.300 -0.077 0.000 1.053 622 I CB 2.367 40.327 38.000 -0.065 0.000 1.241 622 I HN 0.633 nan 8.210 nan 0.000 0.421 623 S N 3.127 118.816 115.700 -0.018 0.000 2.545 623 S HA 0.056 4.524 4.470 -0.003 0.000 0.232 623 S C 0.764 175.370 174.600 0.011 0.000 1.070 623 S CA -0.221 57.977 58.200 -0.003 0.000 0.923 623 S CB -0.226 62.970 63.200 -0.008 0.000 0.806 623 S HN 0.774 nan 8.310 nan 0.000 0.506 624 K N 2.741 123.149 120.400 0.013 0.000 2.155 624 K HA 0.282 4.600 4.320 -0.003 0.000 0.240 624 K C -0.670 175.957 176.600 0.046 0.000 1.193 624 K CA -0.124 56.178 56.287 0.027 0.000 1.104 624 K CB -0.352 32.163 32.500 0.026 0.000 1.558 624 K HN -0.096 nan 8.250 nan 0.000 0.313 625 T N 1.938 116.519 114.554 0.045 0.000 2.908 625 T HA -0.051 4.297 4.350 -0.003 0.000 0.301 625 T C 1.590 176.329 174.700 0.065 0.000 1.019 625 T CA -0.220 61.916 62.100 0.060 0.000 1.152 625 T CB 0.829 69.727 68.868 0.051 0.000 0.966 625 T HN 0.376 nan 8.240 nan 0.000 0.540 626 V N 4.230 124.192 119.914 0.080 0.000 2.568 626 V HA -0.177 3.941 4.120 -0.003 0.000 0.253 626 V C 2.634 178.765 176.094 0.061 0.000 1.072 626 V CA 2.240 64.583 62.300 0.072 0.000 1.084 626 V CB -0.673 31.196 31.823 0.076 0.000 0.676 626 V HN 1.103 nan 8.190 nan 0.000 0.469 627 S N 1.029 116.767 115.700 0.064 0.000 2.383 627 S HA -0.216 4.252 4.470 -0.003 0.000 0.229 627 S C 1.989 176.624 174.600 0.058 0.000 1.030 627 S CA 1.827 60.068 58.200 0.068 0.000 1.002 627 S CB -0.706 62.536 63.200 0.070 0.000 0.829 627 S HN 0.774 nan 8.310 nan 0.000 0.467 628 S N 0.438 116.167 115.700 0.048 0.000 2.607 628 S HA 0.037 4.505 4.470 -0.003 0.000 0.224 628 S C 1.343 175.962 174.600 0.031 0.000 0.969 628 S CA 0.686 58.908 58.200 0.038 0.000 0.927 628 S CB -0.893 62.327 63.200 0.032 0.000 0.772 628 S HN 0.651 nan 8.310 nan 0.000 0.533 629 T N 1.771 116.344 114.554 0.033 0.000 3.067 629 T HA 0.323 4.671 4.350 -0.003 0.000 0.257 629 T C 0.683 175.390 174.700 0.012 0.000 1.105 629 T CA -0.135 61.978 62.100 0.022 0.000 1.104 629 T CB -0.378 68.504 68.868 0.023 0.000 0.925 629 T HN 0.427 nan 8.240 nan 0.000 0.498 630 I N 3.580 124.164 120.570 0.024 0.000 2.664 630 I HA 0.085 4.253 4.170 -0.003 0.000 0.284 630 I C -2.123 173.997 176.117 0.005 0.000 1.154 630 I CA -1.797 59.513 61.300 0.017 0.000 1.402 630 I CB 0.091 38.128 38.000 0.062 0.000 1.395 630 I HN -0.031 nan 8.210 nan 0.000 0.545 631 P HA 0.097 nan 4.420 nan 0.000 0.270 631 P C -0.577 176.713 177.300 -0.015 0.000 1.223 631 P CA -0.281 62.802 63.100 -0.028 0.000 0.785 631 P CB 0.431 32.096 31.700 -0.058 0.000 0.923 632 R N 1.866 122.360 120.500 -0.009 0.000 2.537 632 R HA 0.054 4.392 4.340 -0.003 0.000 0.280 632 R C 0.221 176.509 176.300 -0.019 0.000 1.058 632 R CA 0.026 56.127 56.100 0.001 0.000 1.057 632 R CB -0.273 30.027 30.300 0.001 0.000 0.973 632 R HN 0.570 nan 8.270 nan 0.000 0.438 633 E N -0.674 119.521 120.200 -0.009 0.000 2.340 633 E HA -0.171 4.177 4.350 -0.003 0.000 0.240 633 E C -1.167 175.376 176.600 -0.094 0.000 1.154 633 E CA 0.774 57.152 56.400 -0.037 0.000 0.717 633 E CB -1.323 28.356 29.700 -0.035 0.000 1.250 633 E HN 0.669 nan 8.360 nan 0.000 0.386 634 T N 0.511 114.990 114.554 -0.124 0.000 3.032 634 T HA 0.535 4.883 4.350 -0.003 0.000 0.312 634 T C 0.048 174.544 174.700 -0.339 0.000 1.078 634 T CA -0.811 61.157 62.100 -0.219 0.000 1.028 634 T CB 1.095 69.851 68.868 -0.187 0.000 1.091 634 T HN 0.287 nan 8.240 nan 0.000 0.457 635 I N 1.324 121.606 120.570 -0.481 0.000 2.315 635 I HA 0.472 4.640 4.170 -0.003 0.000 0.291 635 I C -2.739 173.147 176.117 -0.384 0.000 1.006 635 I CA -2.796 58.068 61.300 -0.727 0.000 1.265 635 I CB 0.740 38.285 38.000 -0.760 0.000 1.387 635 I HN 0.228 nan 8.210 nan 0.000 0.475 636 P HA 0.063 nan 4.420 nan 0.000 0.269 636 P C 0.256 177.618 177.300 0.104 0.000 1.217 636 P CA -0.060 63.000 63.100 -0.066 0.000 0.783 636 P CB 0.388 32.166 31.700 0.131 0.000 0.898 637 F N 0.027 120.079 119.950 0.171 0.000 2.451 637 F HA 0.022 4.547 4.527 -0.003 0.000 0.299 637 F C 0.986 176.957 175.800 0.284 0.000 1.101 637 F CA 1.205 59.342 58.000 0.228 0.000 1.436 637 F CB -0.403 38.702 39.000 0.173 0.000 1.074 637 F HN 0.089 nan 8.300 nan 0.000 0.553 638 L N 0.562 122.053 121.223 0.446 0.000 2.385 638 L HA 0.434 4.772 4.340 -0.003 0.000 0.273 638 L C -0.486 176.637 176.870 0.422 0.000 0.990 638 L CA -0.711 54.355 54.840 0.377 0.000 0.821 638 L CB 2.053 44.390 42.059 0.464 0.000 1.279 638 L HN 0.092 nan 8.230 nan 0.000 0.412 639 H N 2.417 121.672 119.070 0.308 0.000 3.042 639 H HA 0.545 5.098 4.556 -0.003 0.000 0.346 639 H C -1.831 173.574 175.328 0.129 0.000 1.294 639 H CA -1.013 55.221 56.048 0.311 0.000 1.141 639 H CB 1.696 31.717 29.762 0.431 0.000 1.872 639 H HN 0.396 nan 8.280 nan 0.000 0.541 640 L N 1.439 122.823 121.223 0.268 0.000 2.387 640 L HA 0.576 4.914 4.340 -0.003 0.000 0.266 640 L C 0.402 177.420 176.870 0.246 0.000 1.059 640 L CA -0.896 54.003 54.840 0.100 0.000 0.801 640 L CB 1.463 43.531 42.059 0.015 0.000 1.223 640 L HN 0.545 nan 8.230 nan 0.000 0.456 641 R N 0.870 121.484 120.500 0.190 0.000 2.854 641 R HA 0.520 4.858 4.340 -0.003 0.000 0.271 641 R C -1.107 175.353 176.300 0.266 0.000 0.994 641 R CA -0.939 55.321 56.100 0.267 0.000 0.945 641 R CB 2.765 33.274 30.300 0.349 0.000 1.194 641 R HN 0.424 nan 8.270 nan 0.000 0.476 642 K N 1.725 122.217 120.400 0.154 0.000 2.443 642 K HA 0.225 4.543 4.320 -0.003 0.000 0.252 642 K C -1.138 175.269 176.600 -0.323 0.000 0.933 642 K CA -0.663 55.597 56.287 -0.044 0.000 0.792 642 K CB 1.840 34.294 32.500 -0.076 0.000 1.185 642 K HN 0.355 nan 8.250 nan 0.000 0.425 643 K N 3.144 123.049 120.400 -0.825 0.000 2.349 643 K HA 0.033 4.351 4.320 -0.003 0.000 0.288 643 K C -0.261 176.022 176.600 -0.529 0.000 1.058 643 K CA 0.016 55.635 56.287 -1.113 0.000 0.953 643 K CB 0.909 32.417 32.500 -1.653 0.000 0.997 643 K HN 0.749 nan 8.250 nan 0.000 0.477 644 T N 3.919 118.249 114.554 -0.375 0.000 2.900 644 T HA 0.153 4.501 4.350 -0.003 0.000 0.307 644 T C -1.715 172.859 174.700 -0.209 0.000 1.065 644 T CA -1.469 60.498 62.100 -0.222 0.000 1.105 644 T CB 0.794 69.576 68.868 -0.142 0.000 0.979 644 T HN 0.426 nan 8.240 nan 0.000 0.544 645 P HA -0.015 nan 4.420 nan 0.000 0.218 645 P C 1.393 178.633 177.300 -0.100 0.000 1.148 645 P CA 1.289 64.317 63.100 -0.121 0.000 0.822 645 P CB -0.181 31.465 31.700 -0.089 0.000 0.784 646 A N -0.822 121.944 122.820 -0.089 0.000 1.986 646 A HA 0.035 4.353 4.320 -0.003 0.000 0.220 646 A C 1.975 179.516 177.584 -0.072 0.000 1.171 646 A CA 2.149 54.146 52.037 -0.065 0.000 0.640 646 A CB -1.398 17.571 19.000 -0.052 0.000 0.811 646 A HN 0.314 nan 8.150 nan 0.000 0.451 647 G N -1.757 106.970 108.800 -0.121 0.000 2.229 647 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.189 647 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.189 647 G C -0.444 174.360 174.900 -0.160 0.000 1.000 647 G CA 0.175 45.196 45.100 -0.133 0.000 0.663 647 G HN 0.520 nan 8.290 nan 0.000 0.493 648 D N -0.320 119.996 120.400 -0.139 0.000 2.312 648 D HA 0.478 5.116 4.640 -0.003 0.000 0.248 648 D C -0.345 175.852 176.300 -0.172 0.000 1.086 648 D CA -0.200 53.764 54.000 -0.059 0.000 0.948 648 D CB 0.650 41.454 40.800 0.007 0.000 1.162 648 D HN 0.249 nan 8.370 nan 0.000 0.446 649 W N 1.396 122.680 121.300 -0.026 0.000 2.289 649 W HA 0.269 4.927 4.660 -0.003 0.000 0.342 649 W C 0.501 177.024 176.519 0.007 0.000 0.958 649 W CA -0.613 56.706 57.345 -0.043 0.000 1.492 649 W CB 0.509 29.913 29.460 -0.094 0.000 1.336 649 W HN -0.070 nan 8.180 nan 0.000 0.371 650 K N 1.220 121.706 120.400 0.143 0.000 2.132 650 K HA 0.293 4.611 4.320 -0.003 0.000 0.241 650 K C -0.582 176.121 176.600 0.173 0.000 1.000 650 K CA -1.294 55.081 56.287 0.147 0.000 0.911 650 K CB 1.051 33.599 32.500 0.080 0.000 1.093 650 K HN 0.196 nan 8.250 nan 0.000 0.460 651 Y N 1.406 121.718 120.300 0.019 0.000 2.650 651 Y HA -0.014 4.534 4.550 -0.003 0.000 0.331 651 Y C -0.561 175.331 175.900 -0.012 0.000 1.165 651 Y CA -0.095 57.970 58.100 -0.058 0.000 1.473 651 Y CB 0.353 38.644 38.460 -0.282 0.000 1.224 651 Y HN 0.474 nan 8.280 nan 0.000 0.533 652 D N 5.836 125.960 120.400 -0.461 0.000 2.349 652 D HA 0.227 4.865 4.640 -0.003 0.000 0.232 652 D C 1.020 176.870 176.300 -0.751 0.000 1.071 652 D CA -0.486 53.203 54.000 -0.519 0.000 0.832 652 D CB 0.900 41.579 40.800 -0.201 0.000 1.086 652 D HN 0.728 nan 8.370 nan 0.000 0.504 653 R N 2.793 122.787 120.500 -0.843 0.000 2.091 653 R HA -0.183 4.155 4.340 -0.003 0.000 0.238 653 R C 1.602 177.808 176.300 -0.157 0.000 1.136 653 R CA 1.567 57.378 56.100 -0.483 0.000 0.959 653 R CB 0.135 30.326 30.300 -0.181 0.000 0.856 653 R HN 0.624 nan 8.270 nan 0.000 0.437 654 Q N 0.280 120.006 119.800 -0.124 0.000 1.975 654 Q HA -0.193 4.145 4.340 -0.003 0.000 0.205 654 Q C 2.328 178.328 176.000 -0.001 0.000 0.990 654 Q CA 1.980 57.759 55.803 -0.040 0.000 0.845 654 Q CB -0.176 28.540 28.738 -0.037 0.000 0.913 654 Q HN 0.392 nan 8.270 nan 0.000 0.420 655 L N 0.171 121.384 121.223 -0.016 0.000 2.043 655 L HA -0.246 4.092 4.340 -0.003 0.000 0.212 655 L C 2.462 179.402 176.870 0.116 0.000 1.075 655 L CA 1.161 56.025 54.840 0.039 0.000 0.752 655 L CB -0.397 41.674 42.059 0.019 0.000 0.891 655 L HN 0.170 nan 8.230 nan 0.000 0.432 656 S N -1.085 114.681 115.700 0.110 0.000 2.423 656 S HA -0.122 4.346 4.470 -0.003 0.000 0.231 656 S C 2.161 176.914 174.600 0.256 0.000 1.014 656 S CA 1.203 59.562 58.200 0.264 0.000 0.965 656 S CB 0.006 63.413 63.200 0.345 0.000 0.785 656 S HN 0.353 nan 8.310 nan 0.000 0.495 657 S N 1.555 117.348 115.700 0.155 0.000 2.377 657 S HA 0.136 4.604 4.470 -0.003 0.000 0.223 657 S C 1.750 176.426 174.600 0.126 0.000 1.030 657 S CA 0.373 58.649 58.200 0.127 0.000 0.970 657 S CB -0.369 62.881 63.200 0.083 0.000 0.830 657 S HN 0.380 nan 8.310 nan 0.000 0.473 658 L N 0.315 121.615 121.223 0.128 0.000 2.013 658 L HA -0.185 4.153 4.340 -0.003 0.000 0.212 658 L C 2.225 179.204 176.870 0.181 0.000 1.073 658 L CA 1.745 56.663 54.840 0.131 0.000 0.753 658 L CB -0.292 41.840 42.059 0.121 0.000 0.890 658 L HN 0.322 nan 8.230 nan 0.000 0.432 659 F N -0.017 119.975 119.950 0.069 0.000 2.113 659 F HA -0.189 4.336 4.527 -0.003 0.000 0.297 659 F C 2.082 177.934 175.800 0.086 0.000 1.103 659 F CA 1.566 59.610 58.000 0.073 0.000 1.248 659 F CB -0.300 38.751 39.000 0.084 0.000 0.999 659 F HN -0.070 nan 8.300 nan 0.000 0.475 660 L N -0.149 121.065 121.223 -0.016 0.000 2.141 660 L HA -0.177 4.161 4.340 -0.003 0.000 0.209 660 L C 2.055 178.887 176.870 -0.062 0.000 1.094 660 L CA 1.202 55.979 54.840 -0.104 0.000 0.763 660 L CB -0.684 41.415 42.059 0.067 0.000 0.908 660 L HN 0.050 nan 8.230 nan 0.000 0.437 661 D N -0.132 120.272 120.400 0.005 0.000 2.117 661 D HA -0.114 4.524 4.640 -0.003 0.000 0.198 661 D C 2.126 178.435 176.300 0.015 0.000 0.982 661 D CA 1.357 55.377 54.000 0.032 0.000 0.828 661 D CB -0.327 40.506 40.800 0.055 0.000 0.967 661 D HN 0.292 nan 8.370 nan 0.000 0.464 662 G N 0.956 109.746 108.800 -0.016 0.000 2.491 662 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 662 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 662 G C 1.553 176.409 174.900 -0.073 0.000 1.180 662 G CA 0.520 45.603 45.100 -0.030 0.000 0.774 662 G HN 0.182 nan 8.290 nan 0.000 0.562 663 L N 0.806 121.913 121.223 -0.193 0.000 2.079 663 L HA -0.053 4.285 4.340 -0.003 0.000 0.210 663 L C 2.649 179.575 176.870 0.093 0.000 1.081 663 L CA 2.057 56.813 54.840 -0.141 0.000 0.752 663 L CB -0.793 41.136 42.059 -0.216 0.000 0.896 663 L HN 0.495 nan 8.230 nan 0.000 0.433 664 E N -0.281 119.950 120.200 0.051 0.000 2.028 664 E HA -0.279 4.069 4.350 -0.003 0.000 0.191 664 E C 2.254 178.913 176.600 0.099 0.000 0.988 664 E CA 1.260 57.694 56.400 0.056 0.000 0.799 664 E CB -0.074 29.685 29.700 0.098 0.000 0.755 664 E HN 0.363 nan 8.360 nan 0.000 0.447 665 K N -0.185 120.295 120.400 0.133 0.000 2.211 665 K HA -0.146 4.172 4.320 -0.003 0.000 0.204 665 K C 1.829 178.500 176.600 0.117 0.000 1.047 665 K CA 1.087 57.468 56.287 0.157 0.000 0.935 665 K CB -0.103 32.456 32.500 0.099 0.000 0.728 665 K HN 0.187 nan 8.250 nan 0.000 0.452 666 A N 0.211 123.081 122.820 0.084 0.000 2.072 666 A HA 0.096 4.414 4.320 -0.003 0.000 0.216 666 A C 2.076 179.716 177.584 0.094 0.000 1.156 666 A CA 1.152 53.235 52.037 0.077 0.000 0.701 666 A CB -0.217 18.818 19.000 0.060 0.000 0.816 666 A HN 0.387 nan 8.150 nan 0.000 0.458 667 A N -1.329 121.533 122.820 0.071 0.000 1.970 667 A HA 0.188 4.506 4.320 -0.003 0.000 0.216 667 A C 1.877 179.356 177.584 -0.175 0.000 1.170 667 A CA 0.971 52.936 52.037 -0.120 0.000 0.645 667 A CB -0.495 18.326 19.000 -0.298 0.000 0.816 667 A HN 0.496 nan 8.150 nan 0.000 0.447 668 F N -0.342 119.615 119.950 0.012 0.000 2.317 668 F HA 0.007 4.532 4.527 -0.003 0.000 0.290 668 F C 2.038 177.828 175.800 -0.017 0.000 1.075 668 F CA 0.671 58.668 58.000 -0.005 0.000 1.380 668 F CB 0.213 39.216 39.000 0.005 0.000 1.093 668 F HN 0.183 nan 8.300 nan 0.000 0.524 669 N N -0.566 118.237 118.700 0.171 0.000 2.414 669 N HA 0.215 4.953 4.740 -0.003 0.000 0.177 669 N C 0.804 176.323 175.510 0.016 0.000 1.062 669 N CA 1.072 54.168 53.050 0.077 0.000 0.890 669 N CB 0.215 38.737 38.487 0.059 0.000 1.070 669 N HN 0.239 nan 8.380 nan 0.000 0.454 670 G N 0.298 109.093 108.800 -0.009 0.000 2.795 670 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.664 670 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.664 670 G C -0.900 173.959 174.900 -0.069 0.000 1.381 670 G CA -0.370 44.686 45.100 -0.074 0.000 0.853 670 G HN 0.096 nan 8.290 nan 0.000 0.545 671 V N -0.321 119.526 119.914 -0.111 0.000 2.680 671 V HA 0.808 4.926 4.120 -0.003 0.000 0.309 671 V C 0.677 176.501 176.094 -0.451 0.000 1.052 671 V CA -0.033 62.120 62.300 -0.244 0.000 0.908 671 V CB 1.783 33.431 31.823 -0.292 0.000 1.001 671 V HN 1.307 nan 8.190 nan 0.000 0.431 672 T N 2.086 116.390 114.554 -0.417 0.000 2.907 672 T HA 0.623 4.971 4.350 -0.003 0.000 0.284 672 T C -0.420 173.950 174.700 -0.551 0.000 1.004 672 T CA -0.084 61.785 62.100 -0.386 0.000 1.063 672 T CB 0.427 69.204 68.868 -0.151 0.000 0.992 672 T HN 0.439 nan 8.240 nan 0.000 0.483 673 F N 1.906 121.856 119.950 0.001 0.000 2.791 673 F HA 0.410 4.935 4.527 -0.003 0.000 0.316 673 F C 0.895 176.648 175.800 -0.078 0.000 1.134 673 F CA -0.836 57.138 58.000 -0.043 0.000 1.222 673 F CB 0.132 39.092 39.000 -0.065 0.000 1.034 673 F HN 0.450 nan 8.300 nan 0.000 0.516 674 K N 1.463 121.890 120.400 0.045 0.000 2.524 674 K HA -0.093 4.225 4.320 -0.003 0.000 0.279 674 K C 0.188 176.766 176.600 -0.038 0.000 0.993 674 K CA 0.963 57.244 56.287 -0.009 0.000 1.030 674 K CB 0.251 32.744 32.500 -0.011 0.000 0.891 674 K HN 0.288 nan 8.250 nan 0.000 0.488 675 D N 0.798 121.126 120.400 -0.120 0.000 2.946 675 D HA -0.168 4.470 4.640 -0.003 0.000 0.202 675 D C -0.572 175.625 176.300 -0.172 0.000 1.068 675 D CA 1.211 55.131 54.000 -0.133 0.000 1.011 675 D CB -0.593 40.199 40.800 -0.013 0.000 1.105 675 D HN 0.651 nan 8.370 nan 0.000 0.425 676 K N 0.381 120.653 120.400 -0.213 0.000 2.227 676 K HA 0.316 4.633 4.320 -0.003 0.000 0.280 676 K C -0.763 175.593 176.600 -0.407 0.000 1.041 676 K CA -0.385 55.802 56.287 -0.167 0.000 0.905 676 K CB 0.532 33.005 32.500 -0.045 0.000 1.068 676 K HN -0.107 nan 8.250 nan 0.000 0.470 677 Y N 2.644 122.807 120.300 -0.228 0.000 2.335 677 Y HA 0.332 4.880 4.550 -0.003 0.000 0.339 677 Y C -0.226 175.563 175.900 -0.184 0.000 0.987 677 Y CA -0.744 57.158 58.100 -0.331 0.000 1.140 677 Y CB 1.608 39.802 38.460 -0.444 0.000 1.173 677 Y HN 0.118 nan 8.280 nan 0.000 0.486 678 V N 5.131 125.018 119.914 -0.046 0.000 2.709 678 V HA 0.363 4.481 4.120 -0.003 0.000 0.308 678 V C -1.095 175.012 176.094 0.022 0.000 1.062 678 V CA -0.892 61.384 62.300 -0.041 0.000 0.901 678 V CB 2.106 33.848 31.823 -0.136 0.000 1.003 678 V HN 0.496 nan 8.190 nan 0.000 0.425 679 L N 5.875 127.098 121.223 0.000 0.000 2.296 679 L HA 0.727 5.065 4.340 -0.003 0.000 0.286 679 L C -0.796 176.028 176.870 -0.078 0.000 1.023 679 L CA -0.059 54.770 54.840 -0.018 0.000 0.812 679 L CB 1.116 43.160 42.059 -0.024 0.000 1.223 679 L HN 0.698 nan 8.230 nan 0.000 0.421 680 I N 4.677 125.195 120.570 -0.087 0.000 2.478 680 I HA 0.466 4.634 4.170 -0.003 0.000 0.287 680 I C -0.663 175.415 176.117 -0.067 0.000 1.042 680 I CA -0.116 61.116 61.300 -0.114 0.000 1.067 680 I CB 1.863 39.768 38.000 -0.159 0.000 1.233 680 I HN 0.833 nan 8.210 nan 0.000 0.431 681 T N 2.065 116.601 114.554 -0.031 0.000 2.859 681 T HA 0.675 5.023 4.350 -0.003 0.000 0.281 681 T C 0.683 175.453 174.700 0.116 0.000 1.005 681 T CA 0.125 62.258 62.100 0.055 0.000 1.025 681 T CB 1.690 70.615 68.868 0.096 0.000 0.977 681 T HN 1.170 nan 8.240 nan 0.000 0.458 682 G N 0.987 109.874 108.800 0.145 0.000 2.131 682 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.223 682 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.223 682 G C 0.478 175.466 174.900 0.147 0.000 0.990 682 G CA -0.201 44.996 45.100 0.162 0.000 0.671 682 G HN 1.565 nan 8.290 nan 0.000 0.521 683 A N 0.480 123.381 122.820 0.136 0.000 2.797 683 A HA 0.703 5.021 4.320 -0.003 0.000 0.287 683 A C 1.483 179.197 177.584 0.216 0.000 1.369 683 A CA 1.140 53.266 52.037 0.148 0.000 0.968 683 A CB -0.432 18.642 19.000 0.123 0.000 1.069 683 A HN 1.692 nan 8.150 nan 0.000 0.571 684 G N -0.040 108.849 108.800 0.147 0.000 2.716 684 G HA2 0.264 4.222 3.960 -0.003 0.000 0.251 684 G HA3 0.264 4.222 3.960 -0.003 0.000 0.251 684 G C 0.238 175.101 174.900 -0.061 0.000 1.224 684 G CA -0.450 44.687 45.100 0.061 0.000 0.891 684 G HN 0.642 nan 8.290 nan 0.000 0.561 685 K N -0.574 119.620 120.400 -0.342 0.000 2.414 685 K HA 0.361 4.679 4.320 -0.003 0.000 0.272 685 K C 1.069 177.579 176.600 -0.150 0.000 0.993 685 K CA 0.687 56.714 56.287 -0.434 0.000 0.964 685 K CB 0.015 32.043 32.500 -0.787 0.000 0.925 685 K HN 1.349 nan 8.250 nan 0.000 0.487 686 G N 2.043 110.812 108.800 -0.053 0.000 2.314 686 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.292 686 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.292 686 G C -0.373 174.531 174.900 0.007 0.000 1.059 686 G CA 0.569 45.661 45.100 -0.012 0.000 0.982 686 G HN 0.944 nan 8.290 nan 0.000 0.505 687 S N -1.704 114.015 115.700 0.032 0.000 2.607 687 S HA 0.698 5.166 4.470 -0.003 0.000 0.273 687 S C 1.146 175.789 174.600 0.071 0.000 1.148 687 S CA -0.461 57.769 58.200 0.050 0.000 0.833 687 S CB 1.274 64.509 63.200 0.059 0.000 1.130 687 S HN 0.353 nan 8.310 nan 0.000 0.470 688 I N 1.232 121.859 120.570 0.095 0.000 2.423 688 I HA -0.075 4.093 4.170 -0.003 0.000 0.254 688 I C 2.550 178.719 176.117 0.086 0.000 1.151 688 I CA 1.614 62.981 61.300 0.111 0.000 1.421 688 I CB -1.206 36.898 38.000 0.174 0.000 1.079 688 I HN 0.930 nan 8.210 nan 0.000 0.431 689 G N 1.174 110.035 108.800 0.102 0.000 2.480 689 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.216 689 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.216 689 G C 1.843 176.754 174.900 0.018 0.000 1.200 689 G CA 0.918 46.038 45.100 0.033 0.000 0.782 689 G HN 0.492 nan 8.290 nan 0.000 0.554 690 A N 0.053 122.917 122.820 0.074 0.000 2.070 690 A HA 0.050 4.367 4.320 -0.003 0.000 0.220 690 A C 2.209 179.802 177.584 0.015 0.000 1.159 690 A CA 1.791 53.889 52.037 0.101 0.000 0.656 690 A CB -0.183 18.925 19.000 0.179 0.000 0.800 690 A HN 0.337 nan 8.150 nan 0.000 0.453 691 E N -0.421 119.777 120.200 -0.004 0.000 2.170 691 E HA -0.035 4.313 4.350 -0.003 0.000 0.191 691 E C 2.083 178.624 176.600 -0.099 0.000 0.981 691 E CA 0.877 57.252 56.400 -0.042 0.000 0.830 691 E CB -0.310 29.395 29.700 0.008 0.000 0.775 691 E HN 0.390 nan 8.360 nan 0.000 0.470 692 V N 1.661 121.509 119.914 -0.110 0.000 2.453 692 V HA -0.203 3.915 4.120 -0.003 0.000 0.247 692 V C 2.405 178.360 176.094 -0.232 0.000 1.048 692 V CA 1.154 63.334 62.300 -0.201 0.000 1.049 692 V CB -0.377 31.307 31.823 -0.232 0.000 0.672 692 V HN 0.164 nan 8.190 nan 0.000 0.457 693 L N 0.019 121.153 121.223 -0.148 0.000 2.056 693 L HA -0.179 4.159 4.340 -0.003 0.000 0.207 693 L C 2.389 179.186 176.870 -0.121 0.000 1.078 693 L CA 1.922 56.700 54.840 -0.104 0.000 0.749 693 L CB -0.736 41.333 42.059 0.016 0.000 0.901 693 L HN 0.313 nan 8.230 nan 0.000 0.433 694 Q N -0.353 119.338 119.800 -0.182 0.000 2.096 694 Q HA -0.161 4.177 4.340 -0.003 0.000 0.204 694 Q C 2.104 177.939 176.000 -0.274 0.000 0.982 694 Q CA 1.534 57.126 55.803 -0.353 0.000 0.850 694 Q CB -0.640 27.716 28.738 -0.637 0.000 0.901 694 Q HN 0.729 nan 8.270 nan 0.000 0.422 695 G N 0.992 109.629 108.800 -0.271 0.000 2.459 695 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.217 695 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.217 695 G C 1.389 176.201 174.900 -0.147 0.000 1.183 695 G CA 0.713 45.595 45.100 -0.364 0.000 0.776 695 G HN 0.188 nan 8.290 nan 0.000 0.552 696 L N -0.052 121.029 121.223 -0.237 0.000 2.013 696 L HA -0.099 4.239 4.340 -0.003 0.000 0.212 696 L C 2.999 179.895 176.870 0.044 0.000 1.073 696 L CA 0.873 55.593 54.840 -0.199 0.000 0.753 696 L CB -0.507 41.365 42.059 -0.312 0.000 0.890 696 L HN 0.200 nan 8.230 nan 0.000 0.432 697 L N -0.837 120.404 121.223 0.030 0.000 2.083 697 L HA -0.248 4.090 4.340 -0.003 0.000 0.209 697 L C 2.659 179.607 176.870 0.130 0.000 1.083 697 L CA 1.195 56.096 54.840 0.101 0.000 0.752 697 L CB -0.445 41.689 42.059 0.125 0.000 0.899 697 L HN 0.388 nan 8.230 nan 0.000 0.433 698 Q N -0.241 119.651 119.800 0.152 0.000 2.226 698 Q HA -0.142 4.196 4.340 -0.003 0.000 0.204 698 Q C 1.925 178.035 176.000 0.184 0.000 0.975 698 Q CA 1.319 57.238 55.803 0.195 0.000 0.866 698 Q CB -0.060 28.833 28.738 0.259 0.000 0.915 698 Q HN 0.549 nan 8.270 nan 0.000 0.440 699 G N -1.457 107.489 108.800 0.242 0.000 2.985 699 G HA2 0.220 4.178 3.960 -0.003 0.000 0.209 699 G HA3 0.220 4.178 3.960 -0.003 0.000 0.209 699 G C 0.706 175.686 174.900 0.132 0.000 1.165 699 G CA 0.287 45.490 45.100 0.172 0.000 0.776 699 G HN 0.484 nan 8.290 nan 0.000 0.541 700 G N -1.068 107.807 108.800 0.126 0.000 2.142 700 G HA2 0.161 4.119 3.960 -0.003 0.000 0.225 700 G HA3 0.161 4.119 3.960 -0.003 0.000 0.225 700 G C 0.463 175.374 174.900 0.019 0.000 1.015 700 G CA 0.136 45.278 45.100 0.070 0.000 0.716 700 G HN 1.215 nan 8.290 nan 0.000 0.508 701 A N -0.211 122.627 122.820 0.030 0.000 2.313 701 A HA 0.685 5.003 4.320 -0.003 0.000 0.261 701 A C 0.590 178.061 177.584 -0.188 0.000 1.090 701 A CA 0.069 52.043 52.037 -0.104 0.000 0.807 701 A CB 0.485 19.423 19.000 -0.104 0.000 1.055 701 A HN 0.418 nan 8.150 nan 0.000 0.492 702 K N 1.070 121.205 120.400 -0.441 0.000 2.339 702 K HA 0.537 4.855 4.320 -0.003 0.000 0.264 702 K C -1.518 174.889 176.600 -0.323 0.000 0.986 702 K CA -0.405 55.596 56.287 -0.477 0.000 0.866 702 K CB 1.621 33.481 32.500 -1.066 0.000 1.103 702 K HN 0.348 nan 8.250 nan 0.000 0.441 703 V N 2.411 122.351 119.914 0.044 0.000 2.656 703 V HA 0.332 4.450 4.120 -0.003 0.000 0.307 703 V C -0.242 176.024 176.094 0.286 0.000 1.051 703 V CA -1.107 61.266 62.300 0.121 0.000 0.893 703 V CB 2.085 33.928 31.823 0.033 0.000 0.999 703 V HN 0.433 nan 8.190 nan 0.000 0.426 704 V N 4.545 124.616 119.914 0.262 0.000 2.370 704 V HA 0.497 4.615 4.120 -0.003 0.000 0.279 704 V C -0.082 176.035 176.094 0.038 0.000 1.029 704 V CA -0.567 61.831 62.300 0.163 0.000 0.870 704 V CB 1.529 33.440 31.823 0.148 0.000 0.984 704 V HN 0.622 nan 8.190 nan 0.000 0.451 705 V N 3.991 123.896 119.914 -0.015 0.000 2.483 705 V HA 0.533 4.650 4.120 -0.003 0.000 0.295 705 V C 0.535 176.604 176.094 -0.041 0.000 1.035 705 V CA -0.459 61.797 62.300 -0.073 0.000 0.896 705 V CB 2.046 33.735 31.823 -0.223 0.000 0.986 705 V HN 1.015 nan 8.190 nan 0.000 0.447 706 T N 0.545 115.098 114.554 -0.001 0.000 2.875 706 T HA 0.603 4.951 4.350 -0.003 0.000 0.284 706 T C -0.233 174.577 174.700 0.184 0.000 0.995 706 T CA -0.513 61.642 62.100 0.093 0.000 1.060 706 T CB 1.602 70.524 68.868 0.091 0.000 0.967 706 T HN 0.690 nan 8.240 nan 0.000 0.476 707 T N 0.450 115.161 114.554 0.261 0.000 2.900 707 T HA 0.517 4.865 4.350 -0.003 0.000 0.295 707 T C 1.167 176.030 174.700 0.273 0.000 1.044 707 T CA -0.183 62.084 62.100 0.279 0.000 0.995 707 T CB 1.574 70.637 68.868 0.325 0.000 1.072 707 T HN 0.816 nan 8.240 nan 0.000 0.473 708 S N 3.527 119.348 115.700 0.203 0.000 2.427 708 S HA 0.196 4.664 4.470 -0.003 0.000 0.224 708 S C 0.894 175.578 174.600 0.139 0.000 1.047 708 S CA -0.178 58.108 58.200 0.142 0.000 0.953 708 S CB -0.068 63.188 63.200 0.094 0.000 0.824 708 S HN 0.677 nan 8.310 nan 0.000 0.502 709 R N 1.096 121.680 120.500 0.141 0.000 3.436 709 R HA 0.360 4.698 4.340 -0.003 0.000 0.247 709 R C -1.329 175.074 176.300 0.171 0.000 1.434 709 R CA -0.407 55.766 56.100 0.122 0.000 1.543 709 R CB -0.240 30.100 30.300 0.065 0.000 1.289 709 R HN 0.382 nan 8.270 nan 0.000 0.664 710 F N 2.187 122.174 119.950 0.063 0.000 2.487 710 F HA 0.074 4.599 4.527 -0.003 0.000 0.364 710 F C -0.163 175.674 175.800 0.063 0.000 1.126 710 F CA 0.339 58.386 58.000 0.079 0.000 1.135 710 F CB 0.408 39.444 39.000 0.061 0.000 1.127 710 F HN 0.223 nan 8.300 nan 0.000 0.559 711 S N 5.153 120.749 115.700 -0.173 0.000 2.740 711 S HA 0.310 4.778 4.470 -0.003 0.000 0.300 711 S C 0.691 175.192 174.600 -0.164 0.000 1.147 711 S CA -1.150 56.999 58.200 -0.084 0.000 0.871 711 S CB 1.899 65.085 63.200 -0.023 0.000 1.173 711 S HN 0.687 nan 8.310 nan 0.000 0.510 712 K N 0.621 120.992 120.400 -0.049 0.000 2.026 712 K HA -0.134 4.184 4.320 -0.003 0.000 0.208 712 K C 2.063 178.647 176.600 -0.027 0.000 1.048 712 K CA 1.359 57.632 56.287 -0.025 0.000 0.929 712 K CB -0.284 32.236 32.500 0.034 0.000 0.713 712 K HN 0.651 nan 8.250 nan 0.000 0.439 713 Q N 0.453 120.243 119.800 -0.016 0.000 2.173 713 Q HA -0.176 4.162 4.340 -0.003 0.000 0.208 713 Q C 1.831 177.819 176.000 -0.021 0.000 0.989 713 Q CA 1.863 57.658 55.803 -0.014 0.000 0.872 713 Q CB 0.119 28.846 28.738 -0.018 0.000 0.909 713 Q HN 0.260 nan 8.270 nan 0.000 0.420 714 V N -0.511 119.377 119.914 -0.043 0.000 2.599 714 V HA -0.134 3.984 4.120 -0.003 0.000 0.245 714 V C 2.230 178.376 176.094 0.086 0.000 1.046 714 V CA 1.699 63.993 62.300 -0.010 0.000 1.065 714 V CB -0.461 31.353 31.823 -0.015 0.000 0.703 714 V HN 0.348 nan 8.190 nan 0.000 0.464 715 T N 0.172 114.705 114.554 -0.035 0.000 2.665 715 T HA -0.225 4.123 4.350 -0.003 0.000 0.268 715 T C 1.626 176.399 174.700 0.121 0.000 1.035 715 T CA 1.981 64.116 62.100 0.058 0.000 1.151 715 T CB -0.368 68.469 68.868 -0.053 0.000 0.862 715 T HN 0.446 nan 8.240 nan 0.000 0.438 716 D N -0.205 120.223 120.400 0.046 0.000 2.144 716 D HA -0.068 4.570 4.640 -0.003 0.000 0.199 716 D C 1.635 177.911 176.300 -0.040 0.000 0.984 716 D CA 0.760 54.762 54.000 0.004 0.000 0.834 716 D CB -0.430 40.369 40.800 -0.001 0.000 0.955 716 D HN 0.481 nan 8.370 nan 0.000 0.465 717 Y N 0.347 120.548 120.300 -0.165 0.000 2.128 717 Y HA -0.320 4.228 4.550 -0.003 0.000 0.284 717 Y C 1.918 177.611 175.900 -0.346 0.000 1.154 717 Y CA 1.630 59.561 58.100 -0.281 0.000 1.149 717 Y CB -0.561 37.661 38.460 -0.396 0.000 0.976 717 Y HN -0.029 nan 8.280 nan 0.000 0.505 718 Y N 0.496 120.664 120.300 -0.221 0.000 2.263 718 Y HA -0.181 4.367 4.550 -0.003 0.000 0.292 718 Y C 2.691 178.141 175.900 -0.750 0.000 1.130 718 Y CA 1.490 59.317 58.100 -0.455 0.000 1.179 718 Y CB -0.923 37.401 38.460 -0.226 0.000 0.998 718 Y HN 0.381 nan 8.280 nan 0.000 0.532 719 Q N -0.253 119.205 119.800 -0.570 0.000 2.096 719 Q HA -0.175 4.163 4.340 -0.003 0.000 0.204 719 Q C 2.303 177.983 176.000 -0.533 0.000 0.982 719 Q CA 2.313 57.737 55.803 -0.631 0.000 0.850 719 Q CB -0.891 27.730 28.738 -0.195 0.000 0.901 719 Q HN 0.211 nan 8.270 nan 0.000 0.422 720 S N -0.291 115.148 115.700 -0.435 0.000 2.348 720 S HA -0.089 4.379 4.470 -0.003 0.000 0.221 720 S C 1.886 176.236 174.600 -0.418 0.000 1.033 720 S CA 1.346 59.296 58.200 -0.416 0.000 1.010 720 S CB -0.435 62.570 63.200 -0.325 0.000 0.891 720 S HN 0.514 nan 8.310 nan 0.000 0.442 721 I N 0.057 120.362 120.570 -0.441 0.000 2.208 721 I HA -0.179 3.989 4.170 -0.003 0.000 0.245 721 I C 2.264 178.303 176.117 -0.131 0.000 1.097 721 I CA 1.694 62.830 61.300 -0.274 0.000 1.363 721 I CB -0.487 37.280 38.000 -0.387 0.000 1.051 721 I HN 0.449 nan 8.210 nan 0.000 0.413 722 Y N 1.601 121.697 120.300 -0.341 0.000 2.200 722 Y HA -0.146 4.402 4.550 -0.003 0.000 0.290 722 Y C 2.481 178.223 175.900 -0.264 0.000 1.137 722 Y CA 1.374 59.326 58.100 -0.246 0.000 1.163 722 Y CB -0.286 37.978 38.460 -0.326 0.000 0.988 722 Y HN 0.102 nan 8.280 nan 0.000 0.518 723 A N -0.412 122.086 122.820 -0.536 0.000 2.216 723 A HA -0.102 4.216 4.320 -0.003 0.000 0.214 723 A C 2.130 179.453 177.584 -0.436 0.000 1.160 723 A CA 1.507 53.114 52.037 -0.717 0.000 0.725 723 A CB -0.565 17.698 19.000 -1.229 0.000 0.784 723 A HN 0.520 nan 8.150 nan 0.000 0.472 724 K N -2.355 117.762 120.400 -0.472 0.000 2.287 724 K HA 0.102 4.420 4.320 -0.003 0.000 0.199 724 K C 0.723 176.911 176.600 -0.686 0.000 1.061 724 K CA 0.643 56.568 56.287 -0.603 0.000 0.976 724 K CB 0.167 32.172 32.500 -0.826 0.000 0.898 724 K HN 0.463 nan 8.250 nan 0.000 0.492 725 Y N -0.472 119.705 120.300 -0.206 0.000 2.426 725 Y HA 0.319 4.867 4.550 -0.003 0.000 0.249 725 Y C 0.862 176.644 175.900 -0.197 0.000 1.103 725 Y CA -0.411 57.604 58.100 -0.142 0.000 1.256 725 Y CB 0.677 39.091 38.460 -0.077 0.000 1.208 725 Y HN -0.021 nan 8.280 nan 0.000 0.519 726 G N 1.816 110.411 108.800 -0.342 0.000 2.428 726 G HA2 0.319 4.277 3.960 -0.003 0.000 0.290 726 G HA3 0.319 4.277 3.960 -0.003 0.000 0.290 726 G C 0.415 175.155 174.900 -0.267 0.000 0.996 726 G CA 0.287 45.011 45.100 -0.627 0.000 1.406 726 G HN 0.368 nan 8.290 nan 0.000 0.445 727 A N 3.212 126.003 122.820 -0.049 0.000 2.346 727 A HA 0.540 4.858 4.320 -0.003 0.000 0.255 727 A C 0.947 178.558 177.584 0.045 0.000 1.113 727 A CA -0.416 51.631 52.037 0.016 0.000 0.798 727 A CB 0.316 19.351 19.000 0.058 0.000 1.073 727 A HN 0.872 nan 8.150 nan 0.000 0.502 728 K N -0.076 120.356 120.400 0.053 0.000 2.451 728 K HA 0.412 4.730 4.320 -0.003 0.000 0.280 728 K C 0.785 177.431 176.600 0.076 0.000 1.020 728 K CA 0.329 56.661 56.287 0.075 0.000 1.008 728 K CB -0.039 32.498 32.500 0.061 0.000 0.917 728 K HN 1.899 nan 8.250 nan 0.000 0.478 729 G N 1.526 110.385 108.800 0.100 0.000 2.159 729 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.256 729 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.256 729 G C 0.118 175.061 174.900 0.072 0.000 0.977 729 G CA 0.334 45.479 45.100 0.075 0.000 0.652 729 G HN 1.056 nan 8.290 nan 0.000 0.531 730 S N -0.940 114.845 115.700 0.141 0.000 2.672 730 S HA 0.830 5.298 4.470 -0.003 0.000 0.276 730 S C -0.114 174.659 174.600 0.287 0.000 1.207 730 S CA 0.585 58.895 58.200 0.184 0.000 1.002 730 S CB 2.585 65.926 63.200 0.235 0.000 0.998 730 S HN 1.768 nan 8.310 nan 0.000 0.542 731 T N 1.098 115.808 114.554 0.260 0.000 3.393 731 T HA 0.370 4.718 4.350 -0.003 0.000 0.359 731 T C -1.584 173.245 174.700 0.215 0.000 1.380 731 T CA -0.772 61.461 62.100 0.222 0.000 1.132 731 T CB 0.738 69.748 68.868 0.238 0.000 1.284 731 T HN 0.784 nan 8.240 nan 0.000 0.477 732 L N 6.077 127.363 121.223 0.106 0.000 2.329 732 L HA 0.724 5.062 4.340 -0.003 0.000 0.279 732 L C -1.024 175.975 176.870 0.214 0.000 1.014 732 L CA -1.120 53.827 54.840 0.177 0.000 0.814 732 L CB 1.252 43.401 42.059 0.150 0.000 1.257 732 L HN 0.724 nan 8.230 nan 0.000 0.424 733 I N 5.251 125.931 120.570 0.183 0.000 2.439 733 I HA 0.290 4.458 4.170 -0.003 0.000 0.285 733 I C -0.611 175.561 176.117 0.090 0.000 1.021 733 I CA -0.706 60.662 61.300 0.113 0.000 1.091 733 I CB 2.096 40.127 38.000 0.051 0.000 1.242 733 I HN 0.202 nan 8.210 nan 0.000 0.439 734 V N 7.042 127.020 119.914 0.107 0.000 2.370 734 V HA 0.429 4.547 4.120 -0.003 0.000 0.279 734 V C 0.089 176.296 176.094 0.188 0.000 1.029 734 V CA -0.599 61.756 62.300 0.092 0.000 0.870 734 V CB 1.645 33.531 31.823 0.104 0.000 0.984 734 V HN 0.533 nan 8.190 nan 0.000 0.451 735 V N 3.858 123.876 119.914 0.173 0.000 2.769 735 V HA 0.794 4.912 4.120 -0.003 0.000 0.312 735 V C -2.854 173.370 176.094 0.217 0.000 1.061 735 V CA -2.869 59.516 62.300 0.141 0.000 0.931 735 V CB 2.180 34.122 31.823 0.197 0.000 1.010 735 V HN 0.648 nan 8.190 nan 0.000 0.433 736 P HA 0.562 nan 4.420 nan 0.000 0.279 736 P C -1.272 176.211 177.300 0.305 0.000 1.239 736 P CA 0.050 63.199 63.100 0.081 0.000 0.789 736 P CB 0.526 32.022 31.700 -0.340 0.000 0.933 737 F N 1.495 121.506 119.950 0.101 0.000 2.688 737 F HA 0.405 4.930 4.527 -0.003 0.000 0.308 737 F C -1.695 174.133 175.800 0.047 0.000 1.117 737 F CA -0.638 57.417 58.000 0.092 0.000 0.976 737 F CB 1.819 40.860 39.000 0.067 0.000 1.291 737 F HN 0.285 nan 8.300 nan 0.000 0.439 738 N N 4.858 123.009 118.700 -0.915 0.000 2.664 738 N HA 0.119 4.857 4.740 -0.003 0.000 0.257 738 N C -0.068 174.819 175.510 -1.038 0.000 1.108 738 N CA -0.196 52.438 53.050 -0.695 0.000 0.822 738 N CB 1.440 39.725 38.487 -0.337 0.000 1.199 738 N HN 0.941 nan 8.380 nan 0.000 0.529 739 Q N 2.177 121.445 119.800 -0.886 0.000 2.515 739 Q HA -0.067 4.271 4.340 -0.003 0.000 0.215 739 Q C 1.461 177.242 176.000 -0.365 0.000 0.983 739 Q CA 1.533 57.037 55.803 -0.497 0.000 0.905 739 Q CB 0.070 28.803 28.738 -0.009 0.000 0.961 739 Q HN 0.801 nan 8.270 nan 0.000 0.503 740 G N -0.529 108.036 108.800 -0.392 0.000 2.551 740 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.216 740 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.216 740 G C 0.357 175.110 174.900 -0.245 0.000 1.137 740 G CA 0.197 45.056 45.100 -0.401 0.000 0.798 740 G HN 0.258 nan 8.290 nan 0.000 0.536 741 S N -0.013 115.539 115.700 -0.247 0.000 2.475 741 S HA 0.288 4.756 4.470 -0.003 0.000 0.281 741 S C 1.367 175.882 174.600 -0.141 0.000 1.198 741 S CA -0.561 57.534 58.200 -0.175 0.000 1.063 741 S CB 1.410 64.506 63.200 -0.174 0.000 0.972 741 S HN 0.244 nan 8.310 nan 0.000 0.486 742 K N 3.562 123.912 120.400 -0.084 0.000 2.057 742 K HA -0.131 4.187 4.320 -0.003 0.000 0.207 742 K C 1.718 178.296 176.600 -0.037 0.000 1.049 742 K CA 1.616 57.873 56.287 -0.050 0.000 0.931 742 K CB -0.158 32.328 32.500 -0.024 0.000 0.714 742 K HN 0.779 nan 8.250 nan 0.000 0.440 743 Q N 0.182 119.961 119.800 -0.035 0.000 2.119 743 Q HA -0.157 4.181 4.340 -0.003 0.000 0.201 743 Q C 1.610 177.611 176.000 0.001 0.000 0.972 743 Q CA 1.449 57.244 55.803 -0.013 0.000 0.847 743 Q CB -0.022 28.711 28.738 -0.009 0.000 0.903 743 Q HN 0.302 nan 8.270 nan 0.000 0.433 744 D N -0.027 120.356 120.400 -0.028 0.000 2.117 744 D HA -0.110 4.528 4.640 -0.003 0.000 0.198 744 D C 1.959 178.347 176.300 0.147 0.000 0.982 744 D CA 0.757 54.762 54.000 0.008 0.000 0.828 744 D CB -0.068 40.602 40.800 -0.218 0.000 0.967 744 D HN -0.007 nan 8.370 nan 0.000 0.464 745 V N 0.969 120.959 119.914 0.127 0.000 2.255 745 V HA -0.261 3.857 4.120 -0.003 0.000 0.247 745 V C 2.266 178.380 176.094 0.034 0.000 1.051 745 V CA 1.813 64.224 62.300 0.184 0.000 1.018 745 V CB -0.488 31.384 31.823 0.082 0.000 0.641 745 V HN 0.228 nan 8.190 nan 0.000 0.445 746 E N 0.065 120.265 120.200 -0.000 0.000 2.051 746 E HA -0.195 4.153 4.350 -0.003 0.000 0.192 746 E C 2.343 178.923 176.600 -0.033 0.000 0.991 746 E CA 1.313 57.699 56.400 -0.023 0.000 0.799 746 E CB -0.370 29.321 29.700 -0.015 0.000 0.748 746 E HN 0.593 nan 8.360 nan 0.000 0.449 747 A N 1.397 124.198 122.820 -0.031 0.000 1.933 747 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 747 A C 2.138 179.565 177.584 -0.263 0.000 1.175 747 A CA 0.958 52.979 52.037 -0.026 0.000 0.628 747 A CB -0.599 18.477 19.000 0.126 0.000 0.814 747 A HN 0.252 nan 8.150 nan 0.000 0.444 748 L N -0.042 120.858 121.223 -0.539 0.000 1.973 748 L HA -0.128 4.210 4.340 -0.003 0.000 0.208 748 L C 2.445 179.177 176.870 -0.230 0.000 1.073 748 L CA 2.287 56.658 54.840 -0.781 0.000 0.746 748 L CB -0.357 41.277 42.059 -0.709 0.000 0.891 748 L HN 0.613 nan 8.230 nan 0.000 0.433 749 I N -2.879 117.612 120.570 -0.131 0.000 3.334 749 I HA -0.118 4.050 4.170 -0.003 0.000 0.282 749 I C 1.838 178.012 176.117 0.094 0.000 1.313 749 I CA 0.989 62.296 61.300 0.012 0.000 1.396 749 I CB -0.297 37.706 38.000 0.004 0.000 1.054 749 I HN 0.295 nan 8.210 nan 0.000 0.495 750 E N 0.817 121.048 120.200 0.051 0.000 2.102 750 E HA -0.108 4.240 4.350 -0.003 0.000 0.190 750 E C 1.800 178.481 176.600 0.136 0.000 0.971 750 E CA 0.904 57.356 56.400 0.086 0.000 0.821 750 E CB -0.217 29.522 29.700 0.065 0.000 0.777 750 E HN 0.653 nan 8.360 nan 0.000 0.460 751 F N 1.746 121.703 119.950 0.012 0.000 2.269 751 F HA -0.107 4.418 4.527 -0.003 0.000 0.301 751 F C 1.845 177.622 175.800 -0.040 0.000 1.082 751 F CA 0.973 58.993 58.000 0.034 0.000 1.360 751 F CB -0.014 39.095 39.000 0.181 0.000 1.041 751 F HN -0.103 nan 8.300 nan 0.000 0.512 752 I N -0.998 119.458 120.570 -0.190 0.000 2.353 752 I HA -0.264 3.904 4.170 -0.003 0.000 0.248 752 I C 1.573 177.499 176.117 -0.318 0.000 1.119 752 I CA 1.208 62.299 61.300 -0.348 0.000 1.417 752 I CB -0.491 37.463 38.000 -0.077 0.000 1.078 752 I HN 0.109 nan 8.210 nan 0.000 0.421 753 Y N 0.080 120.285 120.300 -0.158 0.000 2.510 753 Y HA 0.065 4.613 4.550 -0.003 0.000 0.273 753 Y C 0.962 176.797 175.900 -0.107 0.000 1.119 753 Y CA -0.041 58.000 58.100 -0.099 0.000 1.286 753 Y CB -0.029 38.397 38.460 -0.057 0.000 1.061 753 Y HN 0.016 nan 8.280 nan 0.000 0.542 754 D N 0.650 121.042 120.400 -0.013 0.000 2.389 754 D HA 0.010 4.648 4.640 -0.003 0.000 0.247 754 D C 0.255 176.505 176.300 -0.083 0.000 1.128 754 D CA 0.109 54.095 54.000 -0.023 0.000 0.884 754 D CB 0.840 41.639 40.800 -0.003 0.000 1.194 754 D HN 0.141 nan 8.370 nan 0.000 0.441 755 T N 0.784 115.312 114.554 -0.043 0.000 2.946 755 T HA -0.022 4.326 4.350 -0.003 0.000 0.312 755 T C 1.275 175.934 174.700 -0.067 0.000 1.066 755 T CA 0.034 62.103 62.100 -0.051 0.000 1.138 755 T CB 0.541 69.395 68.868 -0.023 0.000 1.014 755 T HN 0.416 nan 8.240 nan 0.000 0.544 756 E N 1.519 121.675 120.200 -0.075 0.000 2.130 756 E HA -0.228 4.120 4.350 -0.003 0.000 0.196 756 E C 2.104 178.682 176.600 -0.037 0.000 0.998 756 E CA 1.540 57.896 56.400 -0.073 0.000 0.806 756 E CB -0.106 29.562 29.700 -0.054 0.000 0.738 756 E HN 0.805 nan 8.360 nan 0.000 0.459 757 K N 0.883 121.269 120.400 -0.023 0.000 2.032 757 K HA -0.125 4.193 4.320 -0.003 0.000 0.209 757 K C 1.431 178.028 176.600 -0.005 0.000 1.048 757 K CA 1.266 57.546 56.287 -0.011 0.000 0.927 757 K CB 0.077 32.573 32.500 -0.007 0.000 0.712 757 K HN 0.020 nan 8.250 nan 0.000 0.441 758 N N -0.119 118.578 118.700 -0.006 0.000 2.485 758 N HA -0.009 4.728 4.740 -0.003 0.000 0.199 758 N C 0.444 175.965 175.510 0.018 0.000 1.236 758 N CA 1.094 54.147 53.050 0.006 0.000 0.852 758 N CB 0.821 39.313 38.487 0.008 0.000 1.018 758 N HN 0.521 nan 8.380 nan 0.000 0.457 759 G N -0.425 108.383 108.800 0.014 0.000 2.141 759 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.242 759 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.242 759 G C 0.482 175.426 174.900 0.073 0.000 0.982 759 G CA 0.047 45.175 45.100 0.046 0.000 0.662 759 G HN 0.595 nan 8.290 nan 0.000 0.527 760 G N -1.422 107.351 108.800 -0.045 0.000 2.606 760 G HA2 0.642 4.600 3.960 -0.003 0.000 0.262 760 G HA3 0.642 4.600 3.960 -0.003 0.000 0.262 760 G C 0.720 175.321 174.900 -0.498 0.000 1.394 760 G CA 0.016 44.968 45.100 -0.246 0.000 1.044 760 G HN 0.580 nan 8.290 nan 0.000 0.553 761 L N -0.617 120.130 121.223 -0.793 0.000 2.575 761 L HA 0.341 4.678 4.340 -0.003 0.000 0.228 761 L C 2.098 178.598 176.870 -0.616 0.000 1.075 761 L CA 1.426 55.706 54.840 -0.934 0.000 0.867 761 L CB 0.026 41.228 42.059 -1.429 0.000 1.097 761 L HN 1.050 nan 8.230 nan 0.000 0.485 762 G N -1.399 107.176 108.800 -0.375 0.000 2.179 762 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.257 762 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.257 762 G C -0.045 174.828 174.900 -0.045 0.000 1.010 762 G CA 0.427 45.432 45.100 -0.158 0.000 0.736 762 G HN 0.149 nan 8.290 nan 0.000 0.513 763 W N -0.442 120.591 121.300 -0.446 0.000 2.365 763 W HA 0.725 5.383 4.660 -0.003 0.000 0.410 763 W C 0.084 176.103 176.519 -0.834 0.000 1.634 763 W CA -0.867 56.114 57.345 -0.607 0.000 1.761 763 W CB 0.768 29.933 29.460 -0.491 0.000 1.485 763 W HN 0.106 nan 8.180 nan 0.000 0.706 764 D N 0.192 120.245 120.400 -0.578 0.000 2.764 764 D HA 0.290 4.928 4.640 -0.003 0.000 0.227 764 D C -1.160 174.974 176.300 -0.277 0.000 1.347 764 D CA -0.307 53.347 54.000 -0.577 0.000 0.953 764 D CB 0.834 41.467 40.800 -0.277 0.000 1.476 764 D HN 0.138 nan 8.370 nan 0.000 0.585 765 L N 2.901 124.072 121.223 -0.088 0.000 2.426 765 L HA 0.297 4.635 4.340 -0.003 0.000 0.271 765 L C 0.937 177.850 176.870 0.072 0.000 1.169 765 L CA -0.056 54.814 54.840 0.050 0.000 0.836 765 L CB 0.791 42.921 42.059 0.118 0.000 1.112 765 L HN 0.485 nan 8.230 nan 0.000 0.465 766 D N 1.195 121.636 120.400 0.069 0.000 2.454 766 D HA 0.254 4.892 4.640 -0.003 0.000 0.214 766 D C 0.091 176.411 176.300 0.033 0.000 1.088 766 D CA 0.365 54.401 54.000 0.060 0.000 0.855 766 D CB 1.402 42.240 40.800 0.064 0.000 1.025 766 D HN 0.551 nan 8.370 nan 0.000 0.502 767 A N 0.819 123.645 122.820 0.010 0.000 2.520 767 A HA 0.673 4.991 4.320 -0.003 0.000 0.298 767 A C -1.325 176.241 177.584 -0.031 0.000 1.051 767 A CA -0.508 51.514 52.037 -0.025 0.000 0.690 767 A CB 1.468 20.418 19.000 -0.083 0.000 1.281 767 A HN 0.016 nan 8.150 nan 0.000 0.402 768 I N 2.009 122.558 120.570 -0.036 0.000 2.466 768 I HA 0.460 4.628 4.170 -0.003 0.000 0.289 768 I C -0.979 175.099 176.117 -0.064 0.000 1.026 768 I CA -0.293 60.980 61.300 -0.044 0.000 1.078 768 I CB 2.053 40.039 38.000 -0.023 0.000 1.249 768 I HN 0.526 nan 8.210 nan 0.000 0.429 769 I N 7.559 128.069 120.570 -0.100 0.000 2.698 769 I HA 0.263 4.431 4.170 -0.003 0.000 0.276 769 I C -2.334 173.760 176.117 -0.038 0.000 1.166 769 I CA -1.396 59.806 61.300 -0.163 0.000 1.101 769 I CB 1.286 39.026 38.000 -0.434 0.000 1.305 769 I HN 0.285 nan 8.210 nan 0.000 0.526 770 P HA 0.161 nan 4.420 nan 0.000 0.220 770 P C 0.418 177.900 177.300 0.303 0.000 1.778 770 P CA -0.101 63.094 63.100 0.159 0.000 0.912 770 P CB -0.330 31.413 31.700 0.073 0.000 1.861 771 F N 0.322 120.264 119.950 -0.014 0.000 2.804 771 F HA 0.221 4.746 4.527 -0.003 0.000 0.303 771 F C 1.556 177.365 175.800 0.016 0.000 1.154 771 F CA -1.179 56.819 58.000 -0.004 0.000 1.401 771 F CB -1.077 37.922 39.000 -0.002 0.000 1.106 771 F HN 0.042 nan 8.300 nan 0.000 0.568 772 A N 0.747 123.681 122.820 0.189 0.000 2.540 772 A HA 0.535 4.853 4.320 -0.003 0.000 0.239 772 A C 0.449 178.073 177.584 0.067 0.000 1.061 772 A CA 0.710 52.824 52.037 0.128 0.000 0.758 772 A CB -0.226 18.855 19.000 0.135 0.000 0.991 772 A HN 0.389 nan 8.150 nan 0.000 0.502 773 A N 1.793 124.649 122.820 0.060 0.000 2.564 773 A HA 0.740 5.058 4.320 -0.003 0.000 0.291 773 A C -1.055 176.563 177.584 0.056 0.000 1.102 773 A CA -0.466 51.597 52.037 0.043 0.000 0.660 773 A CB 0.663 19.700 19.000 0.063 0.000 1.283 773 A HN 0.840 nan 8.150 nan 0.000 0.430 774 I N 0.948 121.562 120.570 0.074 0.000 2.545 774 I HA 0.429 4.597 4.170 -0.003 0.000 0.292 774 I C -2.522 173.655 176.117 0.099 0.000 1.040 774 I CA -2.150 59.217 61.300 0.110 0.000 1.068 774 I CB 2.760 40.869 38.000 0.181 0.000 1.251 774 I HN 0.384 nan 8.210 nan 0.000 0.424 775 P HA 0.243 nan 4.420 nan 0.000 0.286 775 P C -1.473 175.842 177.300 0.025 0.000 1.321 775 P CA -0.350 62.756 63.100 0.010 0.000 0.790 775 P CB 0.248 31.940 31.700 -0.013 0.000 0.897 776 E N 3.678 123.887 120.200 0.014 0.000 2.133 776 E HA 0.365 4.713 4.350 -0.003 0.000 0.274 776 E C -0.377 176.207 176.600 -0.027 0.000 0.930 776 E CA -0.853 55.562 56.400 0.024 0.000 0.770 776 E CB 1.230 30.980 29.700 0.083 0.000 1.104 776 E HN 0.449 nan 8.360 nan 0.000 0.403 777 Q N 1.102 120.881 119.800 -0.035 0.000 2.309 777 Q HA 0.521 4.859 4.340 -0.003 0.000 0.273 777 Q C 0.181 176.156 176.000 -0.042 0.000 1.040 777 Q CA -1.068 54.705 55.803 -0.050 0.000 0.834 777 Q CB 1.828 30.520 28.738 -0.076 0.000 1.345 777 Q HN 0.710 nan 8.270 nan 0.000 0.414 778 G N 2.064 110.850 108.800 -0.023 0.000 2.147 778 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.244 778 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.244 778 G C -0.245 174.646 174.900 -0.015 0.000 1.005 778 G CA 0.150 45.235 45.100 -0.025 0.000 0.713 778 G HN 0.608 nan 8.290 nan 0.000 0.515 779 I N 0.937 121.531 120.570 0.040 0.000 2.354 779 I HA 0.388 4.556 4.170 -0.003 0.000 0.286 779 I C 0.484 176.695 176.117 0.157 0.000 1.007 779 I CA -0.631 60.734 61.300 0.107 0.000 1.167 779 I CB 1.178 39.223 38.000 0.075 0.000 1.320 779 I HN 0.122 nan 8.210 nan 0.000 0.458 780 E N 3.139 123.491 120.200 0.253 0.000 2.504 780 E HA 0.203 4.551 4.350 -0.003 0.000 0.253 780 E C 0.695 177.311 176.600 0.026 0.000 1.151 780 E CA -0.831 55.635 56.400 0.111 0.000 0.972 780 E CB 1.397 31.143 29.700 0.077 0.000 1.247 780 E HN 0.386 nan 8.360 nan 0.000 0.519 781 L N 1.976 123.190 121.223 -0.015 0.000 2.011 781 L HA -0.281 4.057 4.340 -0.003 0.000 0.225 781 L C 2.033 178.858 176.870 -0.075 0.000 1.084 781 L CA 2.317 57.136 54.840 -0.035 0.000 0.791 781 L CB -0.765 41.270 42.059 -0.040 0.000 0.898 781 L HN 0.739 nan 8.230 nan 0.000 0.440 782 E N -2.336 117.756 120.200 -0.179 0.000 2.516 782 E HA -0.203 4.145 4.350 -0.003 0.000 0.199 782 E C 1.064 177.531 176.600 -0.222 0.000 1.069 782 E CA 0.820 57.091 56.400 -0.216 0.000 0.876 782 E CB -0.411 29.125 29.700 -0.274 0.000 0.843 782 E HN 0.702 nan 8.360 nan 0.000 0.530 783 H N 0.576 119.644 119.070 -0.002 0.000 2.648 783 H HA 0.289 4.843 4.556 -0.003 0.000 0.265 783 H C 0.686 176.012 175.328 -0.002 0.000 0.961 783 H CA -0.259 55.785 56.048 -0.005 0.000 1.185 783 H CB 0.394 30.152 29.762 -0.007 0.000 1.449 783 H HN 0.136 nan 8.280 nan 0.000 0.523 784 I N 2.476 123.102 120.570 0.094 0.000 2.845 784 I HA -0.130 4.038 4.170 -0.003 0.000 0.290 784 I C 0.612 176.761 176.117 0.052 0.000 1.202 784 I CA 1.013 62.353 61.300 0.066 0.000 1.406 784 I CB 0.162 38.181 38.000 0.032 0.000 1.383 784 I HN 0.168 nan 8.210 nan 0.000 0.549 785 D N 2.832 123.270 120.400 0.063 0.000 3.798 785 D HA 0.141 4.779 4.640 -0.003 0.000 0.296 785 D C 1.013 177.369 176.300 0.094 0.000 1.489 785 D CA -0.250 53.782 54.000 0.053 0.000 0.988 785 D CB 0.768 41.591 40.800 0.038 0.000 1.360 785 D HN 0.244 nan 8.370 nan 0.000 0.641 786 S N -0.380 115.379 115.700 0.098 0.000 2.372 786 S HA -0.246 4.222 4.470 -0.003 0.000 0.227 786 S C 1.714 176.527 174.600 0.354 0.000 1.044 786 S CA 2.561 60.877 58.200 0.194 0.000 1.050 786 S CB -0.310 62.997 63.200 0.179 0.000 0.901 786 S HN 0.366 nan 8.310 nan 0.000 0.447 787 K N 0.238 120.805 120.400 0.278 0.000 2.002 787 K HA -0.060 4.258 4.320 -0.003 0.000 0.209 787 K C 2.238 179.086 176.600 0.414 0.000 1.048 787 K CA 1.829 58.374 56.287 0.431 0.000 0.930 787 K CB -0.404 32.105 32.500 0.014 0.000 0.714 787 K HN 0.370 nan 8.250 nan 0.000 0.438 788 S N 0.755 116.604 115.700 0.248 0.000 2.382 788 S HA -0.184 4.284 4.470 -0.003 0.000 0.228 788 S C 1.823 176.574 174.600 0.251 0.000 1.027 788 S CA 1.563 59.893 58.200 0.217 0.000 0.991 788 S CB -0.261 63.020 63.200 0.135 0.000 0.823 788 S HN 0.450 nan 8.310 nan 0.000 0.469 789 E N 0.319 120.678 120.200 0.264 0.000 2.106 789 E HA -0.144 4.204 4.350 -0.003 0.000 0.192 789 E C 1.762 178.636 176.600 0.456 0.000 0.984 789 E CA 0.848 57.413 56.400 0.275 0.000 0.806 789 E CB -0.171 29.623 29.700 0.156 0.000 0.750 789 E HN 0.510 nan 8.360 nan 0.000 0.458 790 F N 0.951 121.159 119.950 0.430 0.000 2.146 790 F HA -0.012 4.513 4.527 -0.003 0.000 0.298 790 F C 2.008 177.908 175.800 0.166 0.000 1.096 790 F CA 1.450 59.646 58.000 0.327 0.000 1.275 790 F CB -0.587 38.530 39.000 0.194 0.000 1.008 790 F HN 0.086 nan 8.300 nan 0.000 0.480 791 A N -0.414 122.528 122.820 0.203 0.000 1.908 791 A HA -0.283 4.035 4.320 -0.003 0.000 0.218 791 A C 2.375 179.971 177.584 0.020 0.000 1.181 791 A CA 1.894 53.969 52.037 0.064 0.000 0.627 791 A CB -1.592 17.530 19.000 0.205 0.000 0.818 791 A HN 0.670 nan 8.150 nan 0.000 0.445 792 H N -0.651 118.431 119.070 0.021 0.000 2.456 792 H HA -0.109 4.445 4.556 -0.003 0.000 0.296 792 H C 2.335 177.633 175.328 -0.051 0.000 1.079 792 H CA 1.695 57.740 56.048 -0.004 0.000 1.322 792 H CB 0.045 29.827 29.762 0.033 0.000 1.388 792 H HN 0.533 nan 8.280 nan 0.000 0.538 793 R N 0.349 120.807 120.500 -0.069 0.000 2.062 793 R HA -0.059 4.279 4.340 -0.003 0.000 0.229 793 R C 2.504 178.639 176.300 -0.276 0.000 1.128 793 R CA 1.325 57.331 56.100 -0.156 0.000 0.960 793 R CB -0.112 30.137 30.300 -0.085 0.000 0.855 793 R HN 0.268 nan 8.270 nan 0.000 0.432 794 I N 0.215 120.553 120.570 -0.386 0.000 2.315 794 I HA -0.243 3.925 4.170 -0.003 0.000 0.248 794 I C 2.017 178.012 176.117 -0.203 0.000 1.117 794 I CA 1.317 62.422 61.300 -0.325 0.000 1.404 794 I CB -0.012 37.765 38.000 -0.372 0.000 1.071 794 I HN 0.260 nan 8.210 nan 0.000 0.419 795 M N -0.947 118.532 119.600 -0.201 0.000 2.495 795 M HA 0.081 4.559 4.480 -0.003 0.000 0.237 795 M C 1.310 177.472 176.300 -0.230 0.000 1.131 795 M CA 0.686 55.885 55.300 -0.168 0.000 1.032 795 M CB 0.620 33.151 32.600 -0.115 0.000 1.513 795 M HN 0.291 nan 8.290 nan 0.000 0.488 796 L N -1.722 119.317 121.223 -0.307 0.000 2.681 796 L HA 0.160 4.498 4.340 -0.003 0.000 0.163 796 L C 2.060 178.781 176.870 -0.248 0.000 1.188 796 L CA 1.114 55.760 54.840 -0.323 0.000 0.944 796 L CB -0.726 41.013 42.059 -0.533 0.000 1.835 796 L HN 0.095 nan 8.230 nan 0.000 0.510 797 T N -0.561 113.836 114.554 -0.261 0.000 2.684 797 T HA -0.158 4.190 4.350 -0.003 0.000 0.267 797 T C 1.624 176.250 174.700 -0.124 0.000 1.036 797 T CA 2.215 64.224 62.100 -0.151 0.000 1.148 797 T CB -0.508 68.311 68.868 -0.082 0.000 0.863 797 T HN 0.420 nan 8.240 nan 0.000 0.436 798 N N 0.985 119.607 118.700 -0.131 0.000 2.381 798 N HA 0.138 4.876 4.740 -0.003 0.000 0.182 798 N C 1.904 177.362 175.510 -0.087 0.000 1.025 798 N CA 0.789 53.777 53.050 -0.103 0.000 0.888 798 N CB -0.423 37.996 38.487 -0.114 0.000 0.965 798 N HN 0.534 nan 8.380 nan 0.000 0.438 799 I N 0.578 121.085 120.570 -0.105 0.000 2.226 799 I HA -0.234 3.934 4.170 -0.003 0.000 0.245 799 I C 1.955 177.996 176.117 -0.127 0.000 1.100 799 I CA 0.797 62.038 61.300 -0.097 0.000 1.374 799 I CB -0.158 37.778 38.000 -0.107 0.000 1.057 799 I HN 0.093 nan 8.210 nan 0.000 0.413 800 L N 0.073 121.210 121.223 -0.144 0.000 2.012 800 L HA -0.238 4.100 4.340 -0.003 0.000 0.210 800 L C 2.786 179.555 176.870 -0.168 0.000 1.073 800 L CA 1.479 56.216 54.840 -0.171 0.000 0.748 800 L CB -0.658 41.315 42.059 -0.143 0.000 0.891 800 L HN 0.192 nan 8.230 nan 0.000 0.431 801 R N -0.467 119.959 120.500 -0.123 0.000 2.105 801 R HA -0.216 4.122 4.340 -0.003 0.000 0.239 801 R C 2.303 178.539 176.300 -0.106 0.000 1.135 801 R CA 1.762 57.799 56.100 -0.104 0.000 0.967 801 R CB -0.245 30.012 30.300 -0.073 0.000 0.861 801 R HN 0.337 nan 8.270 nan 0.000 0.442 802 M N 0.079 119.622 119.600 -0.094 0.000 2.099 802 M HA -0.170 4.308 4.480 -0.003 0.000 0.262 802 M C 2.072 178.299 176.300 -0.121 0.000 1.067 802 M CA 1.621 56.871 55.300 -0.083 0.000 1.124 802 M CB 0.100 32.669 32.600 -0.052 0.000 1.353 802 M HN 0.086 nan 8.290 nan 0.000 0.410 803 M N -0.732 118.768 119.600 -0.167 0.000 2.086 803 M HA -0.087 4.391 4.480 -0.003 0.000 0.261 803 M C 2.269 178.415 176.300 -0.258 0.000 1.067 803 M CA 1.796 56.961 55.300 -0.225 0.000 1.116 803 M CB -1.515 30.877 32.600 -0.347 0.000 1.348 803 M HN 0.499 nan 8.290 nan 0.000 0.407 804 G N 0.180 108.817 108.800 -0.272 0.000 2.469 804 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.219 804 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.219 804 G C 1.593 176.391 174.900 -0.170 0.000 1.150 804 G CA 1.169 46.125 45.100 -0.240 0.000 0.763 804 G HN 0.468 nan 8.290 nan 0.000 0.561 805 C N 0.048 119.260 119.300 -0.146 0.000 2.413 805 C HA -0.065 4.393 4.460 -0.003 0.000 0.277 805 C C 3.264 178.143 174.990 -0.184 0.000 1.228 805 C CA 1.339 60.275 59.018 -0.138 0.000 1.731 805 C CB -0.925 26.750 27.740 -0.109 0.000 2.042 805 C HN 0.434 nan 8.230 nan 0.000 0.468 806 V N 0.467 120.278 119.914 -0.172 0.000 2.759 806 V HA -0.120 3.998 4.120 -0.003 0.000 0.256 806 V C 2.387 178.360 176.094 -0.202 0.000 1.080 806 V CA 2.127 64.295 62.300 -0.221 0.000 1.101 806 V CB -0.775 31.017 31.823 -0.052 0.000 0.698 806 V HN 0.487 nan 8.190 nan 0.000 0.477 807 K N 1.185 121.502 120.400 -0.140 0.000 2.026 807 K HA -0.189 4.129 4.320 -0.003 0.000 0.208 807 K C 2.173 178.712 176.600 -0.101 0.000 1.048 807 K CA 2.218 58.455 56.287 -0.083 0.000 0.929 807 K CB -0.290 32.164 32.500 -0.077 0.000 0.713 807 K HN 0.624 nan 8.250 nan 0.000 0.439 808 K N 0.233 120.553 120.400 -0.132 0.000 2.057 808 K HA -0.125 4.193 4.320 -0.003 0.000 0.206 808 K C 2.294 178.800 176.600 -0.158 0.000 1.050 808 K CA 1.115 57.332 56.287 -0.118 0.000 0.935 808 K CB -0.058 32.377 32.500 -0.109 0.000 0.715 808 K HN 0.141 nan 8.250 nan 0.000 0.439 809 Q N 1.365 120.997 119.800 -0.279 0.000 2.002 809 Q HA -0.177 4.161 4.340 -0.003 0.000 0.204 809 Q C 2.038 177.877 176.000 -0.268 0.000 0.988 809 Q CA 1.640 57.201 55.803 -0.404 0.000 0.843 809 Q CB -0.288 27.844 28.738 -1.009 0.000 0.908 809 Q HN 0.317 nan 8.270 nan 0.000 0.420 810 K N 0.297 120.555 120.400 -0.237 0.000 2.009 810 K HA -0.102 4.216 4.320 -0.003 0.000 0.210 810 K C 2.439 179.024 176.600 -0.026 0.000 1.049 810 K CA 1.522 57.782 56.287 -0.046 0.000 0.929 810 K CB -0.193 32.314 32.500 0.011 0.000 0.714 810 K HN 0.013 nan 8.250 nan 0.000 0.440 811 S N 0.516 116.192 115.700 -0.039 0.000 2.368 811 S HA -0.136 4.332 4.470 -0.003 0.000 0.225 811 S C 1.928 176.514 174.600 -0.023 0.000 1.030 811 S CA 1.238 59.426 58.200 -0.020 0.000 0.999 811 S CB -0.188 63.002 63.200 -0.017 0.000 0.844 811 S HN 0.453 nan 8.310 nan 0.000 0.459 812 A N 0.429 123.225 122.820 -0.041 0.000 2.248 812 A HA 0.069 4.387 4.320 -0.003 0.000 0.210 812 A C 1.847 179.422 177.584 -0.015 0.000 1.174 812 A CA 0.822 52.840 52.037 -0.031 0.000 0.750 812 A CB -0.171 18.802 19.000 -0.046 0.000 0.780 812 A HN 0.377 nan 8.150 nan 0.000 0.478 813 R N -1.928 118.568 120.500 -0.006 0.000 2.565 813 R HA 0.258 4.596 4.340 -0.003 0.000 0.347 813 R C 1.041 177.351 176.300 0.016 0.000 1.010 813 R CA 0.488 56.596 56.100 0.013 0.000 1.126 813 R CB 0.345 30.669 30.300 0.038 0.000 1.331 813 R HN 0.556 nan 8.270 nan 0.000 0.552 814 G N 1.696 110.502 108.800 0.010 0.000 2.203 814 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.263 814 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.263 814 G C 0.221 175.132 174.900 0.019 0.000 1.012 814 G CA 0.033 45.140 45.100 0.011 0.000 0.749 814 G HN 0.323 nan 8.290 nan 0.000 0.512 815 I N 0.438 121.024 120.570 0.028 0.000 2.270 815 I HA 0.191 4.359 4.170 -0.003 0.000 0.300 815 I C 1.281 177.423 176.117 0.040 0.000 1.186 815 I CA 0.101 61.425 61.300 0.041 0.000 1.431 815 I CB 0.588 38.626 38.000 0.064 0.000 1.485 815 I HN 0.103 nan 8.210 nan 0.000 0.650 816 E N 1.885 122.105 120.200 0.032 0.000 2.476 816 E HA 0.011 4.359 4.350 -0.003 0.000 0.199 816 E C 0.963 177.586 176.600 0.039 0.000 1.021 816 E CA 0.331 56.749 56.400 0.030 0.000 0.907 816 E CB 0.480 30.190 29.700 0.016 0.000 0.974 816 E HN 0.564 nan 8.360 nan 0.000 0.489 817 T N -1.874 112.706 114.554 0.043 0.000 3.331 817 T HA 0.365 4.713 4.350 -0.003 0.000 0.282 817 T C 0.357 175.091 174.700 0.056 0.000 1.010 817 T CA -0.602 61.527 62.100 0.048 0.000 0.928 817 T CB 0.046 68.937 68.868 0.039 0.000 1.154 817 T HN -0.111 nan 8.240 nan 0.000 0.516 818 R N 1.575 122.114 120.500 0.066 0.000 2.754 818 R HA 0.333 4.670 4.340 -0.003 0.000 0.255 818 R C -3.345 173.010 176.300 0.092 0.000 1.723 818 R CA -1.392 54.751 56.100 0.071 0.000 1.596 818 R CB 1.009 31.343 30.300 0.056 0.000 1.424 818 R HN 0.145 nan 8.270 nan 0.000 0.662 819 P HA 0.105 nan 4.420 nan 0.000 0.272 819 P C -0.973 176.401 177.300 0.123 0.000 1.223 819 P CA -0.108 63.074 63.100 0.138 0.000 0.784 819 P CB 1.171 32.974 31.700 0.172 0.000 0.923 820 A N 2.351 125.250 122.820 0.131 0.000 2.274 820 A HA 0.281 4.599 4.320 -0.003 0.000 0.309 820 A C -0.010 177.635 177.584 0.102 0.000 1.226 820 A CA -0.480 51.620 52.037 0.104 0.000 0.853 820 A CB 0.022 19.083 19.000 0.101 0.000 1.146 820 A HN 0.548 nan 8.150 nan 0.000 0.518 821 Q N 2.011 121.851 119.800 0.066 0.000 2.288 821 Q HA 0.453 4.791 4.340 -0.003 0.000 0.258 821 Q C -1.237 174.777 176.000 0.022 0.000 0.957 821 Q CA -0.177 55.654 55.803 0.047 0.000 0.919 821 Q CB 0.800 29.552 28.738 0.023 0.000 1.185 821 Q HN 0.518 nan 8.270 nan 0.000 0.408 822 V N 6.274 126.202 119.914 0.023 0.000 2.334 822 V HA 0.229 4.347 4.120 -0.003 0.000 0.281 822 V C -0.119 175.970 176.094 -0.007 0.000 1.016 822 V CA -0.749 61.552 62.300 0.001 0.000 0.832 822 V CB 1.190 33.011 31.823 -0.004 0.000 0.999 822 V HN 0.704 nan 8.190 nan 0.000 0.439 823 I N 5.871 126.445 120.570 0.006 0.000 2.311 823 I HA 0.176 4.344 4.170 -0.003 0.000 0.297 823 I C 0.185 176.376 176.117 0.123 0.000 1.131 823 I CA -0.184 61.146 61.300 0.050 0.000 1.289 823 I CB 0.263 38.294 38.000 0.052 0.000 1.446 823 I HN 0.322 nan 8.210 nan 0.000 0.524 824 L N 8.888 130.123 121.223 0.020 0.000 2.410 824 L HA 0.217 4.555 4.340 -0.003 0.000 0.273 824 L C -1.987 174.857 176.870 -0.043 0.000 1.144 824 L CA -1.153 53.666 54.840 -0.034 0.000 0.863 824 L CB 0.466 42.431 42.059 -0.156 0.000 1.140 824 L HN 0.247 nan 8.230 nan 0.000 0.463 825 P HA 0.301 nan 4.420 nan 0.000 0.274 825 P C -0.291 176.861 177.300 -0.247 0.000 1.470 825 P CA -0.143 62.726 63.100 -0.386 0.000 1.001 825 P CB 0.626 31.835 31.700 -0.818 0.000 1.332 826 M N 1.248 120.754 119.600 -0.157 0.000 2.494 826 M HA 0.441 4.919 4.480 -0.003 0.000 0.300 826 M C 0.613 176.860 176.300 -0.088 0.000 1.189 826 M CA -0.266 54.976 55.300 -0.098 0.000 0.982 826 M CB 1.402 33.980 32.600 -0.037 0.000 1.534 826 M HN 0.111 nan 8.290 nan 0.000 0.488 827 S N -0.168 115.497 115.700 -0.058 0.000 2.513 827 S HA 0.600 5.068 4.470 -0.003 0.000 0.299 827 S C -2.281 172.185 174.600 -0.222 0.000 1.087 827 S CA -1.631 56.516 58.200 -0.088 0.000 1.012 827 S CB 1.252 64.428 63.200 -0.040 0.000 1.044 827 S HN 0.415 nan 8.310 nan 0.000 0.485 828 P HA 0.265 nan 4.420 nan 0.000 0.255 828 P C -0.631 176.535 177.300 -0.223 0.000 1.248 828 P CA 0.212 63.216 63.100 -0.161 0.000 0.807 828 P CB 0.061 31.750 31.700 -0.017 0.000 1.150 829 N N 0.572 119.126 118.700 -0.243 0.000 2.790 829 N HA 0.095 4.833 4.740 -0.003 0.000 0.256 829 N C -0.735 174.748 175.510 -0.046 0.000 1.409 829 N CA -0.301 52.709 53.050 -0.066 0.000 0.799 829 N CB 0.256 38.877 38.487 0.223 0.000 1.170 829 N HN 0.150 nan 8.380 nan 0.000 0.507 830 H N 0.593 119.723 119.070 0.099 0.000 3.205 830 H HA 0.146 4.700 4.556 -0.003 0.000 0.262 830 H C 1.354 176.733 175.328 0.085 0.000 1.333 830 H CA 0.122 56.220 56.048 0.083 0.000 1.499 830 H CB -0.080 29.709 29.762 0.046 0.000 1.609 830 H HN 0.737 nan 8.280 nan 0.000 0.498 831 G N 3.619 112.551 108.800 0.219 0.000 2.273 831 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.280 831 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.280 831 G C 1.196 176.157 174.900 0.102 0.000 1.047 831 G CA 0.830 46.028 45.100 0.163 0.000 0.869 831 G HN 0.571 nan 8.290 nan 0.000 0.502 832 T N -0.635 113.966 114.554 0.078 0.000 2.809 832 T HA 0.237 4.585 4.350 -0.003 0.000 0.260 832 T C 1.211 175.798 174.700 -0.187 0.000 1.039 832 T CA 1.050 63.089 62.100 -0.103 0.000 1.141 832 T CB -0.033 68.693 68.868 -0.236 0.000 0.869 832 T HN 0.329 nan 8.240 nan 0.000 0.437 833 F N 0.485 120.466 119.950 0.053 0.000 2.348 833 F HA 0.542 5.067 4.527 -0.003 0.000 0.308 833 F C 1.759 177.579 175.800 0.034 0.000 1.175 833 F CA -0.709 57.314 58.000 0.039 0.000 1.080 833 F CB -0.260 38.747 39.000 0.012 0.000 1.341 833 F HN 0.123 nan 8.300 nan 0.000 0.518 834 G N -0.011 108.931 108.800 0.237 0.000 2.065 834 G HA2 0.137 4.095 3.960 -0.003 0.000 0.396 834 G HA3 0.137 4.095 3.960 -0.003 0.000 0.396 834 G C 0.515 175.484 174.900 0.115 0.000 1.446 834 G CA -0.026 45.156 45.100 0.135 0.000 1.047 834 G HN 0.951 nan 8.290 nan 0.000 0.473 835 G N -0.185 108.666 108.800 0.086 0.000 2.985 835 G HA2 0.353 4.311 3.960 -0.003 0.000 0.282 835 G HA3 0.353 4.311 3.960 -0.003 0.000 0.282 835 G C 0.575 175.513 174.900 0.064 0.000 0.791 835 G CA 0.059 45.208 45.100 0.081 0.000 1.934 835 G HN 0.441 nan 8.290 nan 0.000 0.563 836 D N 1.802 122.253 120.400 0.085 0.000 2.315 836 D HA -0.085 4.553 4.640 -0.003 0.000 0.211 836 D C 2.058 178.423 176.300 0.108 0.000 0.977 836 D CA 1.303 55.356 54.000 0.088 0.000 0.894 836 D CB 0.363 41.283 40.800 0.200 0.000 0.910 836 D HN 0.631 nan 8.370 nan 0.000 0.490 837 G N 1.322 110.182 108.800 0.101 0.000 2.609 837 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.288 837 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.288 837 G C 0.545 175.513 174.900 0.114 0.000 1.211 837 G CA 0.402 45.565 45.100 0.105 0.000 0.963 837 G HN 0.353 nan 8.290 nan 0.000 0.541 838 M N 0.275 119.961 119.600 0.142 0.000 2.603 838 M HA 0.418 4.896 4.480 -0.003 0.000 0.380 838 M C 1.233 177.646 176.300 0.187 0.000 1.158 838 M CA -0.023 55.346 55.300 0.114 0.000 0.921 838 M CB 0.514 33.146 32.600 0.053 0.000 1.417 838 M HN 0.575 nan 8.290 nan 0.000 0.523 839 Y N 0.253 120.604 120.300 0.085 0.000 2.114 839 Y HA -0.209 4.339 4.550 -0.003 0.000 0.284 839 Y C 2.112 178.071 175.900 0.099 0.000 1.143 839 Y CA 2.485 60.633 58.100 0.080 0.000 1.135 839 Y CB -0.131 38.354 38.460 0.043 0.000 0.980 839 Y HN 0.223 nan 8.280 nan 0.000 0.499 840 S N 0.356 116.177 115.700 0.202 0.000 2.370 840 S HA -0.235 4.233 4.470 -0.003 0.000 0.226 840 S C 1.657 176.288 174.600 0.053 0.000 1.033 840 S CA 1.683 59.970 58.200 0.144 0.000 1.011 840 S CB -0.367 62.974 63.200 0.233 0.000 0.852 840 S HN 0.521 nan 8.310 nan 0.000 0.457 841 E N 1.521 121.753 120.200 0.053 0.000 2.051 841 E HA -0.070 4.278 4.350 -0.003 0.000 0.192 841 E C 2.411 179.077 176.600 0.110 0.000 0.991 841 E CA 1.429 57.852 56.400 0.040 0.000 0.799 841 E CB -0.386 29.295 29.700 -0.032 0.000 0.748 841 E HN 0.400 nan 8.360 nan 0.000 0.449 842 S N 0.724 116.519 115.700 0.159 0.000 2.359 842 S HA -0.129 4.339 4.470 -0.003 0.000 0.224 842 S C 1.691 176.209 174.600 -0.136 0.000 1.035 842 S CA 1.048 59.256 58.200 0.012 0.000 1.018 842 S CB -0.152 63.004 63.200 -0.072 0.000 0.876 842 S HN 0.106 nan 8.310 nan 0.000 0.448 843 K N 0.805 121.069 120.400 -0.228 0.000 2.288 843 K HA 0.154 4.472 4.320 -0.003 0.000 0.201 843 K C 1.922 178.483 176.600 -0.066 0.000 1.048 843 K CA 0.421 56.578 56.287 -0.217 0.000 0.956 843 K CB -0.431 31.841 32.500 -0.380 0.000 0.746 843 K HN 0.308 nan 8.250 nan 0.000 0.461 844 L N 0.658 121.818 121.223 -0.105 0.000 2.249 844 L HA 0.061 4.399 4.340 -0.003 0.000 0.207 844 L C 1.913 178.701 176.870 -0.135 0.000 1.090 844 L CA 1.283 55.967 54.840 -0.261 0.000 0.802 844 L CB -0.259 41.493 42.059 -0.513 0.000 0.947 844 L HN -0.092 nan 8.230 nan 0.000 0.453 845 S N -0.050 115.603 115.700 -0.077 0.000 2.370 845 S HA -0.150 4.318 4.470 -0.003 0.000 0.226 845 S C 1.902 176.465 174.600 -0.061 0.000 1.033 845 S CA 1.639 59.813 58.200 -0.042 0.000 1.011 845 S CB -0.509 62.685 63.200 -0.010 0.000 0.852 845 S HN 0.467 nan 8.310 nan 0.000 0.457 846 L N 1.320 122.484 121.223 -0.097 0.000 2.197 846 L HA -0.199 4.139 4.340 -0.003 0.000 0.215 846 L C 2.153 178.931 176.870 -0.153 0.000 1.095 846 L CA 1.295 56.056 54.840 -0.133 0.000 0.764 846 L CB -0.689 41.277 42.059 -0.155 0.000 0.897 846 L HN 0.407 nan 8.230 nan 0.000 0.436 847 E N -0.660 119.492 120.200 -0.081 0.000 2.478 847 E HA -0.127 4.221 4.350 -0.003 0.000 0.198 847 E C 1.913 178.568 176.600 0.091 0.000 1.046 847 E CA 1.172 57.573 56.400 0.002 0.000 0.870 847 E CB -0.029 29.744 29.700 0.122 0.000 0.818 847 E HN 0.606 nan 8.360 nan 0.000 0.527 848 T N -1.237 113.345 114.554 0.046 0.000 3.035 848 T HA -0.012 4.336 4.350 -0.003 0.000 0.268 848 T C 1.809 176.595 174.700 0.142 0.000 1.109 848 T CA 0.287 62.457 62.100 0.116 0.000 1.119 848 T CB -0.174 68.748 68.868 0.090 0.000 0.900 848 T HN 0.113 nan 8.240 nan 0.000 0.503 849 L N -0.861 120.380 121.223 0.030 0.000 2.376 849 L HA 0.172 4.509 4.340 -0.003 0.000 0.219 849 L C 1.904 178.870 176.870 0.160 0.000 1.133 849 L CA 0.608 55.526 54.840 0.131 0.000 0.816 849 L CB -0.716 41.352 42.059 0.015 0.000 0.933 849 L HN 0.155 nan 8.230 nan 0.000 0.449 850 F N 0.604 120.662 119.950 0.180 0.000 2.546 850 F HA -0.112 4.413 4.527 -0.003 0.000 0.298 850 F C 1.880 177.865 175.800 0.308 0.000 1.120 850 F CA 0.805 58.924 58.000 0.199 0.000 1.456 850 F CB -0.398 38.721 39.000 0.198 0.000 1.088 850 F HN 0.211 nan 8.300 nan 0.000 0.572 851 N N -1.127 117.837 118.700 0.440 0.000 2.557 851 N HA 0.084 4.822 4.740 -0.003 0.000 0.217 851 N C 1.717 177.396 175.510 0.281 0.000 1.062 851 N CA 0.188 53.471 53.050 0.388 0.000 0.863 851 N CB -0.292 38.378 38.487 0.306 0.000 1.390 851 N HN -0.021 nan 8.380 nan 0.000 0.445 852 R N -0.056 120.600 120.500 0.260 0.000 2.139 852 R HA -0.124 4.214 4.340 -0.003 0.000 0.243 852 R C 1.640 177.897 176.300 -0.073 0.000 1.145 852 R CA 1.327 57.567 56.100 0.233 0.000 0.976 852 R CB -0.282 30.297 30.300 0.464 0.000 0.866 852 R HN 0.320 nan 8.270 nan 0.000 0.449 853 W N 0.303 121.381 121.300 -0.370 0.000 2.318 853 W HA -0.244 4.414 4.660 -0.003 0.000 0.313 853 W C 1.713 177.819 176.519 -0.689 0.000 1.221 853 W CA 2.206 58.982 57.345 -0.950 0.000 1.266 853 W CB -0.269 28.835 29.460 -0.593 0.000 1.150 853 W HN 0.234 nan 8.180 nan 0.000 0.496 854 H N -1.536 117.515 119.070 -0.032 0.000 2.372 854 H HA -0.086 4.468 4.556 -0.003 0.000 0.301 854 H C 2.591 177.805 175.328 -0.190 0.000 1.065 854 H CA 2.022 58.012 56.048 -0.097 0.000 1.364 854 H CB -0.343 29.484 29.762 0.108 0.000 1.406 854 H HN 0.109 nan 8.280 nan 0.000 0.521 855 S N -0.105 115.600 115.700 0.008 0.000 2.446 855 S HA -0.005 4.463 4.470 -0.003 0.000 0.225 855 S C 1.026 175.585 174.600 -0.070 0.000 1.016 855 S CA 0.215 58.411 58.200 -0.006 0.000 0.943 855 S CB 0.336 63.569 63.200 0.054 0.000 0.786 855 S HN 0.369 nan 8.310 nan 0.000 0.508 856 E N 1.246 121.352 120.200 -0.155 0.000 3.769 856 E HA 0.424 4.772 4.350 -0.003 0.000 0.318 856 E C -0.061 176.361 176.600 -0.297 0.000 0.894 856 E CA 0.087 56.403 56.400 -0.139 0.000 1.973 856 E CB 0.536 30.271 29.700 0.058 0.000 1.858 856 E HN 0.437 nan 8.360 nan 0.000 0.628 857 S N -0.357 115.196 115.700 -0.245 0.000 2.941 857 S HA 0.141 4.609 4.470 -0.003 0.000 0.248 857 S C -0.152 174.377 174.600 -0.118 0.000 0.962 857 S CA -0.880 57.195 58.200 -0.208 0.000 1.092 857 S CB -0.384 62.774 63.200 -0.070 0.000 1.113 857 S HN 0.628 nan 8.310 nan 0.000 0.512 858 W N -0.148 121.038 121.300 -0.191 0.000 2.966 858 W HA 0.662 5.320 4.660 -0.003 0.000 0.406 858 W C 0.818 177.206 176.519 -0.220 0.000 1.027 858 W CA -0.265 56.989 57.345 -0.152 0.000 1.930 858 W CB -0.825 28.584 29.460 -0.087 0.000 1.144 858 W HN 0.397 nan 8.180 nan 0.000 0.626 859 A N 2.079 124.551 122.820 -0.580 0.000 2.125 859 A HA -0.190 4.128 4.320 -0.003 0.000 0.219 859 A C 1.739 179.206 177.584 -0.195 0.000 1.156 859 A CA 1.309 52.818 52.037 -0.881 0.000 0.671 859 A CB -0.696 17.370 19.000 -1.557 0.000 0.794 859 A HN 0.368 nan 8.150 nan 0.000 0.459 860 N N -1.149 117.505 118.700 -0.076 0.000 2.280 860 N HA 0.006 4.744 4.740 -0.003 0.000 0.192 860 N C 0.992 176.564 175.510 0.104 0.000 1.109 860 N CA 0.439 53.514 53.050 0.040 0.000 0.855 860 N CB 0.269 38.760 38.487 0.007 0.000 0.974 860 N HN 0.484 nan 8.380 nan 0.000 0.482 861 Q N -0.152 119.736 119.800 0.146 0.000 2.442 861 Q HA 0.312 4.650 4.340 -0.003 0.000 0.228 861 Q C -0.219 175.913 176.000 0.220 0.000 0.902 861 Q CA 0.608 56.508 55.803 0.161 0.000 0.933 861 Q CB 0.881 29.699 28.738 0.134 0.000 1.071 861 Q HN 0.073 nan 8.270 nan 0.000 0.562 862 L N 0.238 121.679 121.223 0.362 0.000 2.371 862 L HA 0.608 4.946 4.340 -0.003 0.000 0.262 862 L C -0.352 176.875 176.870 0.596 0.000 1.006 862 L CA -0.476 54.615 54.840 0.419 0.000 0.818 862 L CB 1.715 44.034 42.059 0.433 0.000 1.354 862 L HN 0.083 nan 8.230 nan 0.000 0.415 863 T N -1.308 113.479 114.554 0.389 0.000 2.876 863 T HA 0.681 5.029 4.350 -0.003 0.000 0.289 863 T C -0.300 174.438 174.700 0.064 0.000 1.014 863 T CA -0.776 61.460 62.100 0.227 0.000 0.986 863 T CB 2.091 70.999 68.868 0.066 0.000 1.021 863 T HN 0.468 nan 8.240 nan 0.000 0.458 864 V N 0.026 119.857 119.914 -0.138 0.000 2.439 864 V HA 0.727 4.845 4.120 -0.003 0.000 0.282 864 V C -0.207 175.828 176.094 -0.099 0.000 1.039 864 V CA -0.854 61.389 62.300 -0.095 0.000 0.913 864 V CB 0.469 32.206 31.823 -0.143 0.000 0.983 864 V HN 1.219 nan 8.190 nan 0.000 0.460 865 C N 6.057 125.320 119.300 -0.062 0.000 2.534 865 C HA 0.796 5.254 4.460 -0.003 0.000 0.309 865 C C 0.756 175.738 174.990 -0.015 0.000 1.072 865 C CA 0.120 59.126 59.018 -0.020 0.000 1.441 865 C CB -0.518 27.207 27.740 -0.025 0.000 1.906 865 C HN 1.360 nan 8.230 nan 0.000 0.429 866 G N 4.278 113.115 108.800 0.062 0.000 2.338 866 G HA2 0.569 4.527 3.960 -0.003 0.000 0.295 866 G HA3 0.569 4.527 3.960 -0.003 0.000 0.295 866 G C -0.018 174.888 174.900 0.010 0.000 1.132 866 G CA 0.080 45.216 45.100 0.060 0.000 0.922 866 G HN 1.299 nan 8.290 nan 0.000 0.427 867 A N 3.326 126.134 122.820 -0.020 0.000 2.276 867 A HA 0.648 4.966 4.320 -0.003 0.000 0.316 867 A C 0.150 177.697 177.584 -0.062 0.000 1.229 867 A CA -0.672 51.339 52.037 -0.043 0.000 0.851 867 A CB 0.521 19.524 19.000 0.006 0.000 1.165 867 A HN 0.705 nan 8.150 nan 0.000 0.513 868 I N 3.910 124.433 120.570 -0.077 0.000 2.256 868 I HA 0.142 4.310 4.170 -0.003 0.000 0.294 868 I C -0.672 175.404 176.117 -0.069 0.000 1.127 868 I CA -0.332 60.926 61.300 -0.071 0.000 1.247 868 I CB 0.137 38.094 38.000 -0.071 0.000 1.460 868 I HN 0.448 nan 8.210 nan 0.000 0.511 869 I N 5.049 125.574 120.570 -0.076 0.000 2.533 869 I HA 0.157 4.325 4.170 -0.003 0.000 0.284 869 I C 1.274 177.371 176.117 -0.034 0.000 1.109 869 I CA 0.721 61.976 61.300 -0.075 0.000 1.412 869 I CB 0.711 38.653 38.000 -0.096 0.000 1.396 869 I HN 0.550 nan 8.210 nan 0.000 0.543 870 G N 5.402 114.186 108.800 -0.027 0.000 2.531 870 G HA2 0.032 3.990 3.960 -0.003 0.000 0.253 870 G HA3 0.032 3.990 3.960 -0.003 0.000 0.253 870 G C -0.983 174.051 174.900 0.224 0.000 1.439 870 G CA -0.524 44.656 45.100 0.132 0.000 1.056 870 G HN 0.607 nan 8.290 nan 0.000 0.555 871 W N 1.712 123.142 121.300 0.216 0.000 2.529 871 W HA 0.440 5.098 4.660 -0.003 0.000 0.319 871 W C -0.876 175.772 176.519 0.216 0.000 1.362 871 W CA 0.034 57.479 57.345 0.167 0.000 1.348 871 W CB 0.020 29.570 29.460 0.149 0.000 1.403 871 W HN 0.119 nan 8.180 nan 0.000 0.519 872 T N 7.818 122.473 114.554 0.169 0.000 2.786 872 T HA 0.386 4.734 4.350 -0.003 0.000 0.283 872 T C -0.059 174.715 174.700 0.123 0.000 0.992 872 T CA -0.634 61.588 62.100 0.203 0.000 0.954 872 T CB 0.990 69.919 68.868 0.101 0.000 0.934 872 T HN 0.246 nan 8.240 nan 0.000 0.440 873 R N 1.817 122.446 120.500 0.214 0.000 2.357 873 R HA 0.747 5.085 4.340 -0.003 0.000 0.296 873 R C 0.440 176.799 176.300 0.098 0.000 1.052 873 R CA -0.874 55.314 56.100 0.147 0.000 0.988 873 R CB 1.067 31.495 30.300 0.213 0.000 1.025 873 R HN 0.728 nan 8.270 nan 0.000 0.469 874 G N 0.695 109.521 108.800 0.043 0.000 2.608 874 G HA2 0.297 4.255 3.960 -0.003 0.000 0.291 874 G HA3 0.297 4.255 3.960 -0.003 0.000 0.291 874 G C -0.677 174.231 174.900 0.013 0.000 1.425 874 G CA -0.845 44.279 45.100 0.041 0.000 0.787 874 G HN 0.458 nan 8.290 nan 0.000 0.484 882 N N 0.812 119.405 118.700 -0.179 0.000 2.373 882 N HA 0.173 4.911 4.740 -0.003 0.000 0.181 882 N C 1.683 177.006 175.510 -0.312 0.000 1.082 882 N CA 0.749 53.632 53.050 -0.278 0.000 0.885 882 N CB 0.051 38.073 38.487 -0.775 0.000 0.977 882 N HN 0.677 nan 8.380 nan 0.000 0.462 883 I N -0.692 119.742 120.570 -0.227 0.000 2.454 883 I HA -0.102 4.066 4.170 -0.003 0.000 0.254 883 I C 1.730 177.852 176.117 0.007 0.000 1.156 883 I CA 1.174 62.442 61.300 -0.054 0.000 1.433 883 I CB -0.389 37.595 38.000 -0.026 0.000 1.082 883 I HN -0.016 nan 8.210 nan 0.000 0.432 884 I N -1.288 119.278 120.570 -0.006 0.000 3.883 884 I HA 0.404 4.572 4.170 -0.003 0.000 0.326 884 I C 2.375 178.430 176.117 -0.103 0.000 1.283 884 I CA 0.516 61.793 61.300 -0.039 0.000 1.161 884 I CB -0.136 37.844 38.000 -0.035 0.000 1.012 884 I HN 0.079 nan 8.210 nan 0.000 0.421 885 A N 1.991 124.780 122.820 -0.051 0.000 1.883 885 A HA -0.280 4.038 4.320 -0.003 0.000 0.217 885 A C 2.392 179.892 177.584 -0.139 0.000 1.186 885 A CA 2.247 54.190 52.037 -0.155 0.000 0.624 885 A CB -0.747 18.284 19.000 0.052 0.000 0.822 885 A HN 0.673 nan 8.150 nan 0.000 0.444 886 E N -0.635 119.561 120.200 -0.007 0.000 2.153 886 E HA -0.109 4.239 4.350 -0.003 0.000 0.194 886 E C 1.950 178.520 176.600 -0.050 0.000 0.988 886 E CA 1.132 57.524 56.400 -0.013 0.000 0.811 886 E CB -0.405 29.314 29.700 0.033 0.000 0.746 886 E HN 0.520 nan 8.360 nan 0.000 0.466 887 G N 0.977 109.737 108.800 -0.067 0.000 2.396 887 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.214 887 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.214 887 G C 1.511 176.391 174.900 -0.034 0.000 1.166 887 G CA 0.572 45.637 45.100 -0.058 0.000 0.793 887 G HN 0.326 nan 8.290 nan 0.000 0.533 888 I N 0.778 121.264 120.570 -0.139 0.000 2.286 888 I HA -0.085 4.083 4.170 -0.003 0.000 0.248 888 I C 2.422 178.502 176.117 -0.062 0.000 1.115 888 I CA 1.657 62.915 61.300 -0.071 0.000 1.392 888 I CB -0.158 37.571 38.000 -0.450 0.000 1.065 888 I HN 0.323 nan 8.210 nan 0.000 0.418 889 E N 0.151 120.262 120.200 -0.147 0.000 2.204 889 E HA -0.257 4.091 4.350 -0.003 0.000 0.194 889 E C 1.968 178.534 176.600 -0.056 0.000 0.989 889 E CA 0.715 57.037 56.400 -0.130 0.000 0.824 889 E CB -0.096 29.515 29.700 -0.149 0.000 0.756 889 E HN 0.365 nan 8.360 nan 0.000 0.477 890 K N -0.278 120.114 120.400 -0.013 0.000 2.574 890 K HA -0.015 4.303 4.320 -0.003 0.000 0.193 890 K C 0.853 177.470 176.600 0.028 0.000 1.035 890 K CA 0.523 56.818 56.287 0.013 0.000 0.982 890 K CB 0.197 32.717 32.500 0.033 0.000 0.795 890 K HN 0.183 nan 8.250 nan 0.000 0.491 891 M N -0.674 118.940 119.600 0.023 0.000 2.484 891 M HA 0.153 4.631 4.480 -0.003 0.000 0.307 891 M C 0.518 176.817 176.300 -0.001 0.000 1.149 891 M CA 0.236 55.534 55.300 -0.002 0.000 0.972 891 M CB 1.288 33.858 32.600 -0.052 0.000 1.400 891 M HN 0.288 nan 8.290 nan 0.000 0.508 892 G N 1.489 110.294 108.800 0.010 0.000 2.137 892 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.237 892 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.237 892 G C -0.189 174.767 174.900 0.092 0.000 1.002 892 G CA -0.073 45.063 45.100 0.060 0.000 0.702 892 G HN 0.354 nan 8.290 nan 0.000 0.515 893 V N -0.108 119.786 119.914 -0.033 0.000 2.769 893 V HA 0.716 4.834 4.120 -0.003 0.000 0.312 893 V C 0.658 176.538 176.094 -0.356 0.000 1.058 893 V CA -1.080 61.149 62.300 -0.119 0.000 0.952 893 V CB 1.974 33.786 31.823 -0.018 0.000 1.019 893 V HN 0.364 nan 8.190 nan 0.000 0.445 894 R N 1.454 121.600 120.500 -0.591 0.000 2.445 894 R HA 0.596 4.934 4.340 -0.003 0.000 0.308 894 R C -0.189 175.802 176.300 -0.514 0.000 0.961 894 R CA -0.257 55.438 56.100 -0.674 0.000 0.862 894 R CB 1.743 31.416 30.300 -1.045 0.000 1.144 894 R HN 1.009 nan 8.270 nan 0.000 0.447 895 T N 0.107 114.413 114.554 -0.413 0.000 2.944 895 T HA 0.575 4.923 4.350 -0.003 0.000 0.284 895 T C -0.355 174.169 174.700 -0.293 0.000 1.010 895 T CA -0.486 61.529 62.100 -0.142 0.000 1.025 895 T CB 0.935 69.775 68.868 -0.046 0.000 1.079 895 T HN 0.287 nan 8.240 nan 0.000 0.516 896 F N 0.581 120.644 119.950 0.189 0.000 2.563 896 F HA 0.584 5.109 4.527 -0.003 0.000 0.316 896 F C 0.879 176.769 175.800 0.149 0.000 1.076 896 F CA -0.930 57.173 58.000 0.171 0.000 0.921 896 F CB 2.267 41.383 39.000 0.193 0.000 1.209 896 F HN 0.905 nan 8.300 nan 0.000 0.462 897 S N 0.741 116.609 115.700 0.280 0.000 2.645 897 S HA 0.227 4.695 4.470 -0.003 0.000 0.266 897 S C 0.614 175.324 174.600 0.183 0.000 1.258 897 S CA -0.572 57.740 58.200 0.187 0.000 0.990 897 S CB 1.225 64.489 63.200 0.107 0.000 0.967 897 S HN 0.780 nan 8.310 nan 0.000 0.556 898 Q N 0.462 120.340 119.800 0.131 0.000 2.119 898 Q HA -0.058 4.280 4.340 -0.003 0.000 0.201 898 Q C 1.976 178.036 176.000 0.099 0.000 0.972 898 Q CA 1.147 57.017 55.803 0.111 0.000 0.847 898 Q CB -0.228 28.561 28.738 0.085 0.000 0.903 898 Q HN 0.669 nan 8.270 nan 0.000 0.433 899 K N 0.781 121.228 120.400 0.077 0.000 2.152 899 K HA -0.186 4.132 4.320 -0.003 0.000 0.206 899 K C 1.799 178.446 176.600 0.078 0.000 1.048 899 K CA 1.165 57.491 56.287 0.065 0.000 0.933 899 K CB 0.028 32.544 32.500 0.025 0.000 0.721 899 K HN 0.290 nan 8.250 nan 0.000 0.447 900 E N 0.141 120.379 120.200 0.064 0.000 2.046 900 E HA -0.083 4.265 4.350 -0.003 0.000 0.190 900 E C 2.046 178.773 176.600 0.212 0.000 0.982 900 E CA 0.812 57.245 56.400 0.056 0.000 0.800 900 E CB 0.088 29.857 29.700 0.115 0.000 0.756 900 E HN 0.129 nan 8.360 nan 0.000 0.449 901 M N 0.225 119.926 119.600 0.170 0.000 2.229 901 M HA -0.068 4.410 4.480 -0.003 0.000 0.264 901 M C 2.307 178.680 176.300 0.121 0.000 1.063 901 M CA 1.033 56.385 55.300 0.086 0.000 1.114 901 M CB -0.767 31.860 32.600 0.046 0.000 1.387 901 M HN 0.119 nan 8.290 nan 0.000 0.420 902 A N -0.549 122.349 122.820 0.130 0.000 1.898 902 A HA -0.202 4.116 4.320 -0.003 0.000 0.216 902 A C 2.062 179.731 177.584 0.142 0.000 1.181 902 A CA 1.269 53.359 52.037 0.090 0.000 0.620 902 A CB -1.070 17.965 19.000 0.058 0.000 0.819 902 A HN 0.454 nan 8.150 nan 0.000 0.442 903 F N 1.638 121.653 119.950 0.109 0.000 2.171 903 F HA -0.209 4.316 4.527 -0.003 0.000 0.300 903 F C 1.923 177.844 175.800 0.202 0.000 1.090 903 F CA 2.008 60.135 58.000 0.212 0.000 1.293 903 F CB -0.253 38.828 39.000 0.135 0.000 1.013 903 F HN 0.208 nan 8.300 nan 0.000 0.486 904 N N 0.897 119.707 118.700 0.183 0.000 2.106 904 N HA -0.154 4.584 4.740 -0.003 0.000 0.188 904 N C 2.042 177.629 175.510 0.129 0.000 1.029 904 N CA 1.813 54.956 53.050 0.156 0.000 0.848 904 N CB -0.760 37.858 38.487 0.219 0.000 1.007 904 N HN 0.351 nan 8.380 nan 0.000 0.423 905 L N 0.674 121.947 121.223 0.084 0.000 1.994 905 L HA -0.094 4.244 4.340 -0.003 0.000 0.208 905 L C 2.250 179.118 176.870 -0.003 0.000 1.071 905 L CA 0.811 55.680 54.840 0.049 0.000 0.745 905 L CB -0.546 41.531 42.059 0.031 0.000 0.892 905 L HN 0.130 nan 8.230 nan 0.000 0.431 906 L N -0.205 120.983 121.223 -0.058 0.000 2.129 906 L HA -0.205 4.133 4.340 -0.003 0.000 0.212 906 L C 2.518 179.422 176.870 0.057 0.000 1.087 906 L CA 1.327 56.122 54.840 -0.075 0.000 0.757 906 L CB -1.081 40.897 42.059 -0.135 0.000 0.896 906 L HN 0.395 nan 8.230 nan 0.000 0.434 907 G N -0.260 108.535 108.800 -0.008 0.000 2.509 907 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.218 907 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.218 907 G C 1.473 176.511 174.900 0.230 0.000 1.124 907 G CA 0.216 45.325 45.100 0.016 0.000 0.776 907 G HN 0.328 nan 8.290 nan 0.000 0.547 908 L N -0.241 121.114 121.223 0.220 0.000 2.554 908 L HA 0.278 4.616 4.340 -0.003 0.000 0.226 908 L C 2.026 178.958 176.870 0.103 0.000 1.137 908 L CA 0.077 55.017 54.840 0.167 0.000 0.863 908 L CB 0.058 42.156 42.059 0.065 0.000 0.985 908 L HN 0.152 nan 8.230 nan 0.000 0.451 909 L N -0.712 120.576 121.223 0.107 0.000 2.640 909 L HA 0.109 4.447 4.340 -0.003 0.000 0.230 909 L C 1.185 178.189 176.870 0.224 0.000 1.123 909 L CA -0.154 54.751 54.840 0.109 0.000 0.900 909 L CB -0.171 41.875 42.059 -0.021 0.000 1.146 909 L HN 0.267 nan 8.230 nan 0.000 0.484 910 T N -2.967 111.712 114.554 0.209 0.000 2.916 910 T HA 0.101 4.449 4.350 -0.003 0.000 0.303 910 T C -1.551 173.222 174.700 0.121 0.000 1.025 910 T CA -1.304 60.891 62.100 0.160 0.000 1.142 910 T CB 1.128 70.059 68.868 0.107 0.000 0.947 910 T HN -0.142 nan 8.240 nan 0.000 0.544 911 P HA -0.207 nan 4.420 nan 0.000 0.218 911 P C 1.392 178.737 177.300 0.074 0.000 1.152 911 P CA 1.535 64.681 63.100 0.077 0.000 0.857 911 P CB 0.062 31.795 31.700 0.056 0.000 0.787 912 E N -0.644 119.602 120.200 0.077 0.000 2.031 912 E HA -0.142 4.206 4.350 -0.003 0.000 0.193 912 E C 2.058 178.711 176.600 0.089 0.000 0.994 912 E CA 1.567 58.014 56.400 0.079 0.000 0.800 912 E CB -1.047 28.702 29.700 0.082 0.000 0.752 912 E HN 0.206 nan 8.360 nan 0.000 0.447 913 V N 0.539 120.521 119.914 0.113 0.000 3.129 913 V HA -0.077 4.041 4.120 -0.003 0.000 0.259 913 V C 2.041 178.178 176.094 0.072 0.000 1.116 913 V CA 0.695 63.062 62.300 0.110 0.000 1.127 913 V CB 0.170 32.097 31.823 0.173 0.000 0.742 913 V HN 0.061 nan 8.190 nan 0.000 0.474 914 V N 0.638 120.597 119.914 0.075 0.000 2.307 914 V HA -0.221 3.897 4.120 -0.003 0.000 0.245 914 V C 2.652 178.777 176.094 0.051 0.000 1.045 914 V CA 2.640 64.975 62.300 0.059 0.000 1.024 914 V CB -0.584 31.281 31.823 0.070 0.000 0.651 914 V HN 0.701 nan 8.190 nan 0.000 0.449 915 E N -0.357 119.877 120.200 0.056 0.000 2.150 915 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 915 E C 2.293 178.919 176.600 0.042 0.000 0.985 915 E CA 0.894 57.326 56.400 0.053 0.000 0.814 915 E CB -0.045 29.688 29.700 0.054 0.000 0.752 915 E HN 0.541 nan 8.360 nan 0.000 0.466 916 L N 0.350 121.596 121.223 0.039 0.000 2.013 916 L HA -0.287 4.051 4.340 -0.003 0.000 0.212 916 L C 2.542 179.405 176.870 -0.012 0.000 1.073 916 L CA 1.422 56.276 54.840 0.025 0.000 0.753 916 L CB -0.293 41.787 42.059 0.034 0.000 0.890 916 L HN 0.356 nan 8.230 nan 0.000 0.432 917 C N -0.376 118.909 119.300 -0.026 0.000 2.403 917 C HA -0.216 4.242 4.460 -0.003 0.000 0.277 917 C C 2.665 177.575 174.990 -0.132 0.000 1.248 917 C CA 0.959 59.919 59.018 -0.096 0.000 1.762 917 C CB -0.943 26.760 27.740 -0.061 0.000 2.014 917 C HN 0.576 nan 8.230 nan 0.000 0.486 918 Q N -0.064 119.729 119.800 -0.010 0.000 2.369 918 Q HA -0.164 4.174 4.340 -0.003 0.000 0.206 918 Q C 2.157 178.225 176.000 0.113 0.000 0.963 918 Q CA 1.038 56.889 55.803 0.080 0.000 0.894 918 Q CB -0.056 28.744 28.738 0.104 0.000 0.965 918 Q HN 0.685 nan 8.270 nan 0.000 0.475 919 K N 0.519 120.945 120.400 0.043 0.000 2.128 919 K HA -0.026 4.292 4.320 -0.003 0.000 0.202 919 K C -0.048 176.587 176.600 0.059 0.000 1.050 919 K CA 1.054 57.393 56.287 0.086 0.000 0.966 919 K CB 0.562 33.100 32.500 0.063 0.000 0.759 919 K HN 0.114 nan 8.250 nan 0.000 0.454 920 S N -0.345 115.273 115.700 -0.137 0.000 2.578 920 S HA 0.321 4.789 4.470 -0.003 0.000 0.285 920 S C -3.080 171.318 174.600 -0.337 0.000 1.126 920 S CA -1.577 56.453 58.200 -0.283 0.000 0.878 920 S CB 1.255 64.500 63.200 0.075 0.000 1.091 920 S HN -0.087 nan 8.310 nan 0.000 0.450 921 P HA 0.086 nan 4.420 nan 0.000 0.263 921 P C -0.724 176.595 177.300 0.032 0.000 1.162 921 P CA 0.028 62.980 63.100 -0.247 0.000 0.758 921 P CB 0.248 31.973 31.700 0.041 0.000 0.773 922 V N 4.977 124.905 119.914 0.024 0.000 2.547 922 V HA 0.507 4.625 4.120 -0.003 0.000 0.299 922 V C 0.198 176.283 176.094 -0.015 0.000 1.040 922 V CA -0.447 61.862 62.300 0.015 0.000 0.913 922 V CB 1.645 33.450 31.823 -0.031 0.000 0.992 922 V HN 0.535 nan 8.190 nan 0.000 0.449 923 M N 4.247 123.758 119.600 -0.148 0.000 2.197 923 M HA 0.779 5.257 4.480 -0.003 0.000 0.301 923 M C -0.702 175.487 176.300 -0.186 0.000 0.987 923 M CA -0.485 54.648 55.300 -0.279 0.000 0.921 923 M CB 1.504 33.629 32.600 -0.793 0.000 1.569 923 M HN 0.738 nan 8.290 nan 0.000 0.431 924 A N 3.694 126.396 122.820 -0.196 0.000 2.291 924 A HA 0.380 4.698 4.320 -0.003 0.000 0.311 924 A C -0.984 176.459 177.584 -0.235 0.000 1.224 924 A CA -0.634 51.235 52.037 -0.280 0.000 0.821 924 A CB 0.612 19.367 19.000 -0.407 0.000 1.172 924 A HN 0.798 nan 8.150 nan 0.000 0.494 925 D N 3.506 123.723 120.400 -0.306 0.000 2.374 925 D HA 0.225 4.863 4.640 -0.003 0.000 0.240 925 D C -0.095 176.084 176.300 -0.202 0.000 1.229 925 D CA 0.099 53.899 54.000 -0.333 0.000 0.895 925 D CB 0.506 40.833 40.800 -0.789 0.000 1.046 925 D HN 0.531 nan 8.370 nan 0.000 0.498 926 L N 3.676 124.832 121.223 -0.110 0.000 3.034 926 L HA 0.210 4.548 4.340 -0.003 0.000 0.245 926 L C 0.445 177.263 176.870 -0.087 0.000 1.295 926 L CA -0.366 54.424 54.840 -0.083 0.000 1.068 926 L CB -0.298 41.692 42.059 -0.114 0.000 1.426 926 L HN 0.121 nan 8.230 nan 0.000 0.531 927 N N 0.936 119.672 118.700 0.061 0.000 2.518 927 N HA 0.223 4.961 4.740 -0.003 0.000 0.254 927 N C 0.627 176.352 175.510 0.358 0.000 0.979 927 N CA -0.380 52.786 53.050 0.195 0.000 0.930 927 N CB 1.782 40.351 38.487 0.136 0.000 1.152 927 N HN 0.165 nan 8.380 nan 0.000 0.505 928 G N 1.619 110.741 108.800 0.536 0.000 3.180 928 G HA2 0.344 4.302 3.960 -0.003 0.000 0.246 928 G HA3 0.344 4.302 3.960 -0.003 0.000 0.246 928 G C 1.060 176.129 174.900 0.281 0.000 0.939 928 G CA 0.102 45.438 45.100 0.393 0.000 1.920 928 G HN 1.001 nan 8.290 nan 0.000 0.612 929 G N -0.153 108.972 108.800 0.542 0.000 2.176 929 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.253 929 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.253 929 G C 1.253 176.455 174.900 0.502 0.000 0.979 929 G CA 0.276 45.783 45.100 0.680 0.000 0.641 929 G HN 0.484 nan 8.290 nan 0.000 0.530 930 L N 0.449 121.861 121.223 0.316 0.000 2.189 930 L HA -0.234 4.104 4.340 -0.003 0.000 0.214 930 L C 3.053 180.029 176.870 0.177 0.000 1.097 930 L CA 2.668 57.658 54.840 0.249 0.000 0.764 930 L CB -0.525 41.710 42.059 0.293 0.000 0.900 930 L HN 0.653 nan 8.230 nan 0.000 0.436 931 Q N -0.996 118.853 119.800 0.081 0.000 2.217 931 Q HA -0.253 4.085 4.340 -0.003 0.000 0.209 931 Q C 1.816 177.664 176.000 -0.253 0.000 0.988 931 Q CA 1.921 57.619 55.803 -0.176 0.000 0.878 931 Q CB -0.321 28.144 28.738 -0.455 0.000 0.909 931 Q HN 0.471 nan 8.270 nan 0.000 0.424 932 F N -0.028 119.970 119.950 0.079 0.000 2.446 932 F HA 0.096 4.621 4.527 -0.003 0.000 0.292 932 F C 1.131 176.928 175.800 -0.005 0.000 1.096 932 F CA -0.297 57.726 58.000 0.039 0.000 1.438 932 F CB 0.249 39.275 39.000 0.043 0.000 1.107 932 F HN -0.090 nan 8.300 nan 0.000 0.546 933 V N 4.294 124.298 119.914 0.151 0.000 2.458 933 V HA 0.124 4.242 4.120 -0.003 0.000 0.287 933 V C -2.260 173.817 176.094 -0.029 0.000 1.009 933 V CA -1.754 60.536 62.300 -0.018 0.000 1.091 933 V CB 0.157 31.922 31.823 -0.096 0.000 0.960 933 V HN -0.112 nan 8.190 nan 0.000 0.476 934 P HA 0.309 nan 4.420 nan 0.000 0.277 934 P C -0.096 177.191 177.300 -0.022 0.000 1.240 934 P CA -0.135 62.946 63.100 -0.031 0.000 0.798 934 P CB 0.432 32.114 31.700 -0.029 0.000 0.979 935 E N -0.077 120.122 120.200 -0.001 0.000 2.269 935 E HA -0.205 4.143 4.350 -0.003 0.000 0.223 935 E C 0.531 177.165 176.600 0.057 0.000 1.244 935 E CA 0.000 56.411 56.400 0.019 0.000 0.713 935 E CB -1.546 28.178 29.700 0.041 0.000 1.178 935 E HN 0.369 nan 8.360 nan 0.000 0.370 936 L N 0.605 121.843 121.223 0.025 0.000 2.081 936 L HA -0.199 4.139 4.340 -0.003 0.000 0.212 936 L C 2.235 179.133 176.870 0.047 0.000 1.080 936 L CA 2.780 57.680 54.840 0.100 0.000 0.754 936 L CB -0.292 41.801 42.059 0.057 0.000 0.893 936 L HN 0.381 nan 8.230 nan 0.000 0.433 937 K N -0.450 119.840 120.400 -0.183 0.000 1.991 937 K HA -0.263 4.055 4.320 -0.003 0.000 0.212 937 K C 2.221 178.851 176.600 0.049 0.000 1.049 937 K CA 2.017 58.188 56.287 -0.192 0.000 0.932 937 K CB -0.425 31.938 32.500 -0.228 0.000 0.717 937 K HN 0.486 nan 8.250 nan 0.000 0.441 938 E N -0.494 119.741 120.200 0.058 0.000 2.106 938 E HA -0.200 4.148 4.350 -0.003 0.000 0.192 938 E C 1.930 178.609 176.600 0.133 0.000 0.984 938 E CA 1.031 57.482 56.400 0.086 0.000 0.806 938 E CB -0.165 29.579 29.700 0.073 0.000 0.750 938 E HN 0.388 nan 8.360 nan 0.000 0.458 939 F N 1.732 121.704 119.950 0.037 0.000 2.051 939 F HA -0.201 4.324 4.527 -0.003 0.000 0.296 939 F C 2.353 178.198 175.800 0.075 0.000 1.122 939 F CA 2.088 60.116 58.000 0.047 0.000 1.201 939 F CB -0.958 38.066 39.000 0.040 0.000 0.978 939 F HN -0.073 nan 8.300 nan 0.000 0.472 940 T N 0.971 115.514 114.554 -0.019 0.000 2.592 940 T HA -0.343 4.005 4.350 -0.003 0.000 0.267 940 T C 2.137 176.813 174.700 -0.040 0.000 1.060 940 T CA 2.361 64.458 62.100 -0.005 0.000 1.167 940 T CB -1.117 67.996 68.868 0.409 0.000 0.863 940 T HN 0.437 nan 8.240 nan 0.000 0.431 941 A N 0.928 123.776 122.820 0.046 0.000 1.940 941 A HA -0.153 4.165 4.320 -0.003 0.000 0.219 941 A C 2.202 179.770 177.584 -0.026 0.000 1.176 941 A CA 2.193 54.249 52.037 0.032 0.000 0.631 941 A CB -0.561 18.475 19.000 0.059 0.000 0.814 941 A HN 0.546 nan 8.150 nan 0.000 0.446 942 K N -0.343 120.019 120.400 -0.063 0.000 2.002 942 K HA -0.084 4.234 4.320 -0.003 0.000 0.209 942 K C 1.900 178.432 176.600 -0.113 0.000 1.048 942 K CA 1.445 57.691 56.287 -0.069 0.000 0.930 942 K CB -0.367 32.105 32.500 -0.046 0.000 0.714 942 K HN 0.451 nan 8.250 nan 0.000 0.438 943 L N 0.619 121.703 121.223 -0.232 0.000 2.021 943 L HA -0.268 4.070 4.340 -0.003 0.000 0.215 943 L C 2.827 179.632 176.870 -0.109 0.000 1.074 943 L CA 1.756 56.468 54.840 -0.214 0.000 0.760 943 L CB -0.454 41.401 42.059 -0.340 0.000 0.889 943 L HN 0.272 nan 8.230 nan 0.000 0.433 944 R N 0.379 120.830 120.500 -0.082 0.000 2.073 944 R HA -0.219 4.119 4.340 -0.003 0.000 0.234 944 R C 2.399 178.683 176.300 -0.027 0.000 1.134 944 R CA 1.841 57.919 56.100 -0.037 0.000 0.952 944 R CB -0.098 30.195 30.300 -0.013 0.000 0.850 944 R HN 0.199 nan 8.270 nan 0.000 0.433 945 K N 0.485 120.869 120.400 -0.026 0.000 2.026 945 K HA -0.170 4.148 4.320 -0.003 0.000 0.208 945 K C 1.822 178.413 176.600 -0.016 0.000 1.048 945 K CA 1.930 58.208 56.287 -0.015 0.000 0.929 945 K CB 0.010 32.505 32.500 -0.008 0.000 0.713 945 K HN 0.241 nan 8.250 nan 0.000 0.439 946 E N 0.645 120.831 120.200 -0.023 0.000 2.085 946 E HA -0.215 4.133 4.350 -0.003 0.000 0.194 946 E C 2.100 178.691 176.600 -0.015 0.000 0.994 946 E CA 1.262 57.651 56.400 -0.018 0.000 0.801 946 E CB -0.067 29.620 29.700 -0.023 0.000 0.743 946 E HN 0.296 nan 8.360 nan 0.000 0.453 947 L N 0.495 121.706 121.223 -0.020 0.000 1.955 947 L HA -0.207 4.131 4.340 -0.003 0.000 0.213 947 L C 2.554 179.420 176.870 -0.007 0.000 1.072 947 L CA 1.309 56.142 54.840 -0.012 0.000 0.755 947 L CB -0.696 41.354 42.059 -0.014 0.000 0.888 947 L HN 0.120 nan 8.230 nan 0.000 0.432 948 V N -0.395 119.514 119.914 -0.008 0.000 2.392 948 V HA -0.270 3.848 4.120 -0.003 0.000 0.249 948 V C 2.568 178.660 176.094 -0.003 0.000 1.059 948 V CA 1.590 63.887 62.300 -0.005 0.000 1.051 948 V CB -0.472 31.347 31.823 -0.006 0.000 0.658 948 V HN 0.443 nan 8.190 nan 0.000 0.455 949 E N 0.030 120.228 120.200 -0.004 0.000 2.015 949 E HA -0.191 4.157 4.350 -0.003 0.000 0.191 949 E C 2.370 178.970 176.600 -0.001 0.000 0.991 949 E CA 1.899 58.298 56.400 -0.002 0.000 0.802 949 E CB -0.452 29.247 29.700 -0.001 0.000 0.759 949 E HN 0.548 nan 8.360 nan 0.000 0.447 950 T N 0.757 115.310 114.554 -0.001 0.000 2.721 950 T HA -0.216 4.132 4.350 -0.003 0.000 0.268 950 T C 1.959 176.659 174.700 0.001 0.000 1.038 950 T CA 1.826 63.926 62.100 -0.000 0.000 1.145 950 T CB -0.329 68.539 68.868 -0.000 0.000 0.858 950 T HN 0.170 nan 8.240 nan 0.000 0.459 951 S N 0.557 116.258 115.700 0.001 0.000 2.368 951 S HA -0.105 4.363 4.470 -0.003 0.000 0.224 951 S C 1.975 176.576 174.600 0.001 0.000 1.029 951 S CA 1.435 59.636 58.200 0.002 0.000 0.988 951 S CB -0.210 62.992 63.200 0.003 0.000 0.838 951 S HN 0.611 nan 8.310 nan 0.000 0.462 952 E N 0.138 120.338 120.200 0.000 0.000 2.170 952 E HA -0.017 4.331 4.350 -0.003 0.000 0.191 952 E C 2.198 178.799 176.600 0.000 0.000 0.981 952 E CA 0.958 57.358 56.400 0.000 0.000 0.830 952 E CB -0.150 29.549 29.700 -0.000 0.000 0.775 952 E HN 0.502 nan 8.360 nan 0.000 0.470 953 V N 1.060 120.974 119.914 0.001 0.000 2.358 953 V HA -0.222 3.896 4.120 -0.003 0.000 0.246 953 V C 2.284 178.378 176.094 0.001 0.000 1.047 953 V CA 2.007 64.308 62.300 0.001 0.000 1.035 953 V CB -0.244 31.579 31.823 0.001 0.000 0.658 953 V HN 0.110 nan 8.190 nan 0.000 0.452 954 R N 0.471 120.971 120.500 0.000 0.000 2.120 954 R HA -0.191 4.147 4.340 -0.003 0.000 0.234 954 R C 2.451 178.750 176.300 -0.001 0.000 1.123 954 R CA 2.117 58.216 56.100 -0.001 0.000 0.975 954 R CB -0.312 29.988 30.300 -0.000 0.000 0.866 954 R HN 0.732 nan 8.270 nan 0.000 0.446 955 K N -0.854 119.545 120.400 -0.001 0.000 2.262 955 K HA 0.091 4.409 4.320 -0.003 0.000 0.200 955 K C 1.665 178.264 176.600 -0.000 0.000 1.049 955 K CA 0.881 57.168 56.287 -0.001 0.000 0.979 955 K CB 0.142 32.642 32.500 0.000 0.000 0.773 955 K HN 0.166 nan 8.250 nan 0.000 0.474 956 A N 0.798 123.618 122.820 0.000 0.000 1.935 956 A HA 0.029 4.347 4.320 -0.003 0.000 0.214 956 A C 2.116 179.701 177.584 0.001 0.000 1.178 956 A CA 0.789 52.827 52.037 0.001 0.000 0.640 956 A CB -0.354 18.646 19.000 0.001 0.000 0.825 956 A HN 0.126 nan 8.150 nan 0.000 0.447 957 V N 0.822 120.736 119.914 0.001 0.000 2.427 957 V HA -0.210 3.908 4.120 -0.003 0.000 0.248 957 V C 3.040 179.134 176.094 -0.000 0.000 1.051 957 V CA 2.362 64.663 62.300 0.001 0.000 1.048 957 V CB -0.473 31.350 31.823 0.001 0.000 0.666 957 V HN 0.813 nan 8.190 nan 0.000 0.456 958 S N -0.288 115.410 115.700 -0.003 0.000 2.387 958 S HA -0.127 4.341 4.470 -0.003 0.000 0.226 958 S C 2.058 176.655 174.600 -0.005 0.000 1.026 958 S CA 1.478 59.674 58.200 -0.007 0.000 0.972 958 S CB -0.512 62.682 63.200 -0.010 0.000 0.814 958 S HN 0.547 nan 8.310 nan 0.000 0.477 959 I N 0.618 121.187 120.570 -0.001 0.000 2.756 959 I HA -0.058 4.110 4.170 -0.003 0.000 0.262 959 I C 2.178 178.299 176.117 0.006 0.000 1.225 959 I CA 1.211 62.512 61.300 0.002 0.000 1.472 959 I CB -0.077 37.924 38.000 0.002 0.000 1.094 959 I HN 0.348 nan 8.210 nan 0.000 0.454 960 E N -0.085 120.119 120.200 0.007 0.000 2.201 960 E HA -0.081 4.267 4.350 -0.003 0.000 0.193 960 E C 2.094 178.705 176.600 0.017 0.000 0.957 960 E CA 1.484 57.891 56.400 0.011 0.000 0.858 960 E CB -0.114 29.591 29.700 0.009 0.000 0.816 960 E HN 0.529 nan 8.360 nan 0.000 0.475 961 T N -0.566 113.997 114.554 0.014 0.000 2.929 961 T HA 0.006 4.354 4.350 -0.003 0.000 0.271 961 T C 1.933 176.653 174.700 0.034 0.000 1.085 961 T CA 1.117 63.230 62.100 0.022 0.000 1.125 961 T CB -0.033 68.841 68.868 0.010 0.000 0.874 961 T HN 0.078 nan 8.240 nan 0.000 0.494 962 A N 0.855 123.686 122.820 0.019 0.000 2.021 962 A HA 0.417 4.735 4.320 -0.003 0.000 0.216 962 A C 2.271 179.887 177.584 0.053 0.000 1.163 962 A CA 0.440 52.488 52.037 0.019 0.000 0.676 962 A CB -0.535 18.463 19.000 -0.004 0.000 0.818 962 A HN 0.512 nan 8.150 nan 0.000 0.453 963 L N -1.079 120.168 121.223 0.041 0.000 2.270 963 L HA -0.023 4.315 4.340 -0.003 0.000 0.210 963 L C 2.473 179.370 176.870 0.045 0.000 1.104 963 L CA 0.818 55.681 54.840 0.039 0.000 0.804 963 L CB -0.169 41.904 42.059 0.023 0.000 0.937 963 L HN 0.467 nan 8.230 nan 0.000 0.450 964 E N -0.572 119.658 120.200 0.050 0.000 2.150 964 E HA -0.270 4.078 4.350 -0.003 0.000 0.193 964 E C 1.883 178.512 176.600 0.048 0.000 0.985 964 E CA 1.049 57.473 56.400 0.039 0.000 0.814 964 E CB 0.150 29.873 29.700 0.038 0.000 0.752 964 E HN 0.501 nan 8.360 nan 0.000 0.466 965 H N 0.466 119.527 119.070 -0.015 0.000 2.333 965 H HA 0.027 4.581 4.556 -0.003 0.000 0.302 965 H C 1.890 177.206 175.328 -0.019 0.000 1.075 965 H CA 1.553 57.589 56.048 -0.021 0.000 1.348 965 H CB 0.282 30.026 29.762 -0.029 0.000 1.393 965 H HN -0.089 nan 8.280 nan 0.000 0.509 966 K N -0.531 119.926 120.400 0.095 0.000 2.280 966 K HA -0.080 4.238 4.320 -0.003 0.000 0.202 966 K C 1.840 178.438 176.600 -0.003 0.000 1.047 966 K CA 0.861 57.172 56.287 0.041 0.000 0.942 966 K CB 0.205 32.734 32.500 0.048 0.000 0.739 966 K HN 0.129 nan 8.250 nan 0.000 0.457 967 V N -0.161 119.746 119.914 -0.011 0.000 2.283 967 V HA -0.174 3.944 4.120 -0.003 0.000 0.239 967 V C 2.051 178.115 176.094 -0.050 0.000 1.035 967 V CA 1.162 63.449 62.300 -0.022 0.000 1.018 967 V CB -0.094 31.722 31.823 -0.012 0.000 0.658 967 V HN 0.018 nan 8.190 nan 0.000 0.459 968 V N 0.898 120.766 119.914 -0.076 0.000 2.392 968 V HA -0.206 3.912 4.120 -0.003 0.000 0.249 968 V C 1.520 177.533 176.094 -0.137 0.000 1.059 968 V CA 2.028 64.266 62.300 -0.103 0.000 1.051 968 V CB -0.536 31.213 31.823 -0.123 0.000 0.658 968 V HN 0.590 nan 8.190 nan 0.000 0.455 969 N N -0.341 118.240 118.700 -0.200 0.000 2.282 969 N HA 0.292 5.030 4.740 -0.003 0.000 0.240 969 N C 0.534 175.981 175.510 -0.105 0.000 1.182 969 N CA 0.844 53.768 53.050 -0.209 0.000 0.874 969 N CB 1.013 39.234 38.487 -0.444 0.000 1.126 969 N HN 0.500 nan 8.380 nan 0.000 0.516 970 G N 2.580 111.343 108.800 -0.061 0.000 2.825 970 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.686 970 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.686 970 G C 0.612 175.515 174.900 0.005 0.000 1.362 970 G CA -0.093 44.995 45.100 -0.020 0.000 0.975 970 G HN 0.440 nan 8.290 nan 0.000 0.594 971 N N -0.021 118.689 118.700 0.016 0.000 2.398 971 N HA 0.033 4.771 4.740 -0.003 0.000 0.188 971 N C 1.648 177.183 175.510 0.040 0.000 1.122 971 N CA 1.246 54.315 53.050 0.032 0.000 0.866 971 N CB 0.272 38.775 38.487 0.027 0.000 0.970 971 N HN 0.378 nan 8.380 nan 0.000 0.462 972 S N -0.316 115.406 115.700 0.036 0.000 2.503 972 S HA 0.295 4.763 4.470 -0.003 0.000 0.217 972 S C 1.745 176.384 174.600 0.064 0.000 0.999 972 S CA 0.285 58.511 58.200 0.043 0.000 0.914 972 S CB 0.114 63.332 63.200 0.030 0.000 0.782 972 S HN 0.606 nan 8.310 nan 0.000 0.520 973 A N 1.379 124.240 122.820 0.069 0.000 2.081 973 A HA 0.045 4.363 4.320 -0.003 0.000 0.214 973 A C 1.336 179.015 177.584 0.158 0.000 1.158 973 A CA 0.824 52.924 52.037 0.104 0.000 0.724 973 A CB -0.094 18.943 19.000 0.062 0.000 0.826 973 A HN 0.284 nan 8.150 nan 0.000 0.463 974 D N -0.141 120.330 120.400 0.118 0.000 2.346 974 D HA 0.202 4.840 4.640 -0.003 0.000 0.206 974 D C 1.893 178.281 176.300 0.146 0.000 1.001 974 D CA 0.979 55.056 54.000 0.128 0.000 0.871 974 D CB -0.075 40.781 40.800 0.093 0.000 0.943 974 D HN 0.385 nan 8.370 nan 0.000 0.518 975 A N 0.945 123.832 122.820 0.112 0.000 1.970 975 A HA 0.168 4.486 4.320 -0.003 0.000 0.216 975 A C 2.043 179.677 177.584 0.082 0.000 1.170 975 A CA 1.267 53.354 52.037 0.083 0.000 0.645 975 A CB -0.231 18.802 19.000 0.056 0.000 0.816 975 A HN 0.177 nan 8.150 nan 0.000 0.447 976 A N -2.727 120.154 122.820 0.100 0.000 2.327 976 A HA 0.397 4.715 4.320 -0.003 0.000 0.228 976 A C 1.128 178.707 177.584 -0.008 0.000 1.275 976 A CA 0.203 52.265 52.037 0.042 0.000 0.875 976 A CB -0.527 18.488 19.000 0.026 0.000 0.925 976 A HN 0.548 nan 8.150 nan 0.000 0.493 977 Y N -1.221 119.088 120.300 0.015 0.000 2.426 977 Y HA 0.455 5.003 4.550 -0.003 0.000 0.249 977 Y C 1.451 177.356 175.900 0.008 0.000 1.103 977 Y CA 0.073 58.181 58.100 0.012 0.000 1.256 977 Y CB 0.433 38.903 38.460 0.017 0.000 1.208 977 Y HN 0.320 nan 8.280 nan 0.000 0.519 978 A N 0.770 123.663 122.820 0.122 0.000 2.351 978 A HA 0.392 4.710 4.320 -0.003 0.000 0.257 978 A C -0.109 177.492 177.584 0.028 0.000 1.087 978 A CA -0.363 51.716 52.037 0.070 0.000 0.798 978 A CB 0.293 19.326 19.000 0.054 0.000 1.033 978 A HN 0.403 nan 8.150 nan 0.000 0.488 979 Q N -0.373 119.439 119.800 0.021 0.000 2.199 979 Q HA 0.537 4.875 4.340 -0.003 0.000 0.232 979 Q C -0.768 175.235 176.000 0.006 0.000 0.969 979 Q CA -0.688 55.117 55.803 0.004 0.000 0.925 979 Q CB 1.454 30.195 28.738 0.005 0.000 1.198 979 Q HN 0.507 nan 8.270 nan 0.000 0.494 980 V N 0.503 120.417 119.914 -0.000 0.000 2.370 980 V HA 0.264 4.382 4.120 -0.003 0.000 0.279 980 V C -0.210 175.887 176.094 0.005 0.000 1.029 980 V CA -0.767 61.535 62.300 0.003 0.000 0.870 980 V CB 0.908 32.730 31.823 -0.000 0.000 0.984 980 V HN 0.653 nan 8.190 nan 0.000 0.451 981 E N 3.996 124.202 120.200 0.009 0.000 2.366 981 E HA 0.455 4.803 4.350 -0.003 0.000 0.266 981 E C -0.722 175.884 176.600 0.011 0.000 1.051 981 E CA -0.247 56.160 56.400 0.010 0.000 0.884 981 E CB 1.310 31.018 29.700 0.013 0.000 1.006 981 E HN 0.572 nan 8.360 nan 0.000 0.417 982 I N 2.877 123.454 120.570 0.011 0.000 2.404 982 I HA 0.170 4.338 4.170 -0.003 0.000 0.293 982 I C -0.115 176.012 176.117 0.017 0.000 0.992 982 I CA -0.788 60.519 61.300 0.012 0.000 1.149 982 I CB 1.439 39.443 38.000 0.007 0.000 1.315 982 I HN 0.300 nan 8.210 nan 0.000 0.446 983 Q N 6.631 126.445 119.800 0.023 0.000 2.293 983 Q HA 0.442 4.780 4.340 -0.003 0.000 0.261 983 Q C -2.179 173.842 176.000 0.035 0.000 0.960 983 Q CA -1.610 54.212 55.803 0.031 0.000 0.882 983 Q CB 2.169 30.931 28.738 0.039 0.000 1.275 983 Q HN 0.410 nan 8.270 nan 0.000 0.445 984 P HA 0.201 nan 4.420 nan 0.000 0.271 984 P C -0.631 176.705 177.300 0.061 0.000 1.216 984 P CA -0.027 63.098 63.100 0.042 0.000 0.776 984 P CB 1.193 32.917 31.700 0.042 0.000 0.881 985 R N 0.768 121.303 120.500 0.059 0.000 2.873 985 R HA 0.696 5.034 4.340 -0.003 0.000 0.264 985 R C -0.362 175.995 176.300 0.095 0.000 1.026 985 R CA -1.061 55.089 56.100 0.083 0.000 1.002 985 R CB 1.756 32.089 30.300 0.057 0.000 1.174 985 R HN 0.530 nan 8.270 nan 0.000 0.488 986 A N 1.489 124.395 122.820 0.144 0.000 2.362 986 A HA 0.151 4.469 4.320 -0.003 0.000 0.276 986 A C -0.186 177.491 177.584 0.156 0.000 1.153 986 A CA -0.296 51.840 52.037 0.166 0.000 0.813 986 A CB 0.074 19.211 19.000 0.227 0.000 1.081 986 A HN 0.712 nan 8.150 nan 0.000 0.507 987 N N 3.986 122.776 118.700 0.151 0.000 2.918 987 N HA 0.148 4.886 4.740 -0.003 0.000 0.270 987 N C -0.373 175.311 175.510 0.291 0.000 1.536 987 N CA -0.396 52.755 53.050 0.169 0.000 0.877 987 N CB 0.134 38.672 38.487 0.085 0.000 1.190 987 N HN 0.564 nan 8.380 nan 0.000 0.492 988 I N 1.474 122.296 120.570 0.420 0.000 2.906 988 I HA -0.109 4.059 4.170 -0.003 0.000 0.302 988 I C 0.750 177.090 176.117 0.372 0.000 1.220 988 I CA 0.973 62.482 61.300 0.349 0.000 1.441 988 I CB 0.073 38.261 38.000 0.313 0.000 1.336 988 I HN 0.292 nan 8.210 nan 0.000 0.565 989 Q N 5.202 125.099 119.800 0.162 0.000 2.377 989 Q HA 0.394 4.732 4.340 -0.003 0.000 0.271 989 Q C 0.755 176.722 176.000 -0.056 0.000 1.077 989 Q CA -0.868 54.996 55.803 0.103 0.000 0.820 989 Q CB 2.894 31.674 28.738 0.069 0.000 1.347 989 Q HN 0.554 nan 8.270 nan 0.000 0.444 990 L N 0.361 121.523 121.223 -0.102 0.000 2.275 990 L HA -0.112 4.226 4.340 -0.003 0.000 0.215 990 L C 0.041 176.969 176.870 0.097 0.000 1.119 990 L CA 0.786 55.556 54.840 -0.117 0.000 0.790 990 L CB -0.127 41.854 42.059 -0.130 0.000 0.919 990 L HN 0.829 nan 8.230 nan 0.000 0.443 991 D N -0.892 119.574 120.400 0.110 0.000 2.760 991 D HA -0.202 4.436 4.640 -0.003 0.000 0.244 991 D C -0.063 176.482 176.300 0.409 0.000 1.123 991 D CA 0.234 54.354 54.000 0.200 0.000 0.719 991 D CB -0.738 40.162 40.800 0.167 0.000 1.045 991 D HN -0.111 nan 8.370 nan 0.000 0.426 992 F N -0.120 119.888 119.950 0.097 0.000 2.472 992 F HA 0.411 4.936 4.527 -0.003 0.000 0.312 992 F C -0.917 174.894 175.800 0.019 0.000 1.256 992 F CA -1.640 56.398 58.000 0.064 0.000 1.275 992 F CB -0.673 38.313 39.000 -0.023 0.000 1.228 992 F HN 0.008 nan 8.300 nan 0.000 0.567 993 P HA 0.210 nan 4.420 nan 0.000 0.282 993 P C -0.996 176.350 177.300 0.077 0.000 1.259 993 P CA -0.590 62.529 63.100 0.031 0.000 0.826 993 P CB 0.752 32.378 31.700 -0.123 0.000 1.064 994 E N 1.049 121.310 120.200 0.101 0.000 2.289 994 E HA 0.255 4.603 4.350 -0.003 0.000 0.278 994 E C -0.501 176.164 176.600 0.110 0.000 1.032 994 E CA -0.218 56.240 56.400 0.097 0.000 0.854 994 E CB 0.462 30.223 29.700 0.101 0.000 1.046 994 E HN 0.377 nan 8.360 nan 0.000 0.409 995 L N 4.074 125.341 121.223 0.072 0.000 2.265 995 L HA 0.302 4.640 4.340 -0.003 0.000 0.289 995 L C 0.804 177.741 176.870 0.112 0.000 1.033 995 L CA -0.480 54.406 54.840 0.075 0.000 0.814 995 L CB 0.841 42.878 42.059 -0.036 0.000 1.203 995 L HN 0.126 nan 8.230 nan 0.000 0.423 996 K N 3.431 123.913 120.400 0.136 0.000 2.138 996 K HA 0.347 4.665 4.320 -0.003 0.000 0.251 996 K C -2.287 174.394 176.600 0.135 0.000 1.015 996 K CA -1.731 54.614 56.287 0.096 0.000 0.917 996 K CB 0.248 32.773 32.500 0.042 0.000 1.021 996 K HN 0.220 nan 8.250 nan 0.000 0.485 997 P HA -0.113 nan 4.420 nan 0.000 0.265 997 P C -0.100 177.238 177.300 0.064 0.000 1.187 997 P CA 0.346 63.516 63.100 0.116 0.000 0.766 997 P CB 0.208 31.948 31.700 0.068 0.000 0.820 998 Y N 4.993 125.270 120.300 -0.038 0.000 2.256 998 Y HA -0.301 4.247 4.550 -0.003 0.000 0.288 998 Y C 2.098 177.904 175.900 -0.156 0.000 1.155 998 Y CA 1.902 59.855 58.100 -0.245 0.000 1.203 998 Y CB -0.255 38.106 38.460 -0.164 0.000 0.980 998 Y HN 0.344 nan 8.280 nan 0.000 0.530 999 K N -0.218 120.189 120.400 0.011 0.000 2.074 999 K HA -0.273 4.045 4.320 -0.003 0.000 0.209 999 K C 1.750 178.267 176.600 -0.139 0.000 1.048 999 K CA 2.184 58.445 56.287 -0.044 0.000 0.926 999 K CB -0.650 31.859 32.500 0.015 0.000 0.713 999 K HN 0.460 nan 8.250 nan 0.000 0.444 1000 Q N 0.928 120.656 119.800 -0.121 0.000 2.187 1000 Q HA -0.026 4.312 4.340 -0.003 0.000 0.199 1000 Q C 2.338 178.220 176.000 -0.196 0.000 0.957 1000 Q CA 1.090 56.819 55.803 -0.124 0.000 0.857 1000 Q CB -0.078 28.617 28.738 -0.072 0.000 0.929 1000 Q HN 0.146 nan 8.270 nan 0.000 0.453 1001 V N 1.737 121.478 119.914 -0.289 0.000 2.287 1001 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 1001 V C 2.149 178.008 176.094 -0.391 0.000 1.053 1001 V CA 1.750 63.832 62.300 -0.362 0.000 1.027 1001 V CB -0.434 31.046 31.823 -0.573 0.000 0.646 1001 V HN 0.280 nan 8.190 nan 0.000 0.447 1002 K N -0.594 119.491 120.400 -0.524 0.000 2.504 1002 K HA -0.102 4.216 4.320 -0.003 0.000 0.195 1002 K C 2.098 178.573 176.600 -0.208 0.000 1.036 1002 K CA 0.548 56.593 56.287 -0.404 0.000 0.984 1002 K CB 0.052 32.270 32.500 -0.471 0.000 0.788 1002 K HN 0.474 nan 8.250 nan 0.000 0.488 1003 Q N -0.026 119.663 119.800 -0.185 0.000 2.331 1003 Q HA -0.001 4.337 4.340 -0.003 0.000 0.203 1003 Q C 1.935 177.877 176.000 -0.097 0.000 0.944 1003 Q CA 0.584 56.317 55.803 -0.117 0.000 0.892 1003 Q CB 0.211 28.886 28.738 -0.105 0.000 0.983 1003 Q HN 0.383 nan 8.270 nan 0.000 0.482 1004 I N 0.580 121.066 120.570 -0.139 0.000 2.110 1004 I HA -0.146 4.022 4.170 -0.003 0.000 0.236 1004 I C 1.202 177.318 176.117 -0.002 0.000 1.068 1004 I CA 0.688 61.895 61.300 -0.155 0.000 1.333 1004 I CB -0.194 37.591 38.000 -0.359 0.000 1.054 1004 I HN -0.045 nan 8.210 nan 0.000 0.402 1005 A N 0.584 123.421 122.820 0.028 0.000 2.282 1005 A HA 0.559 4.877 4.320 -0.003 0.000 0.319 1005 A C -2.378 175.250 177.584 0.073 0.000 1.121 1005 A CA -1.420 50.720 52.037 0.173 0.000 0.836 1005 A CB -0.159 18.999 19.000 0.263 0.000 1.146 1005 A HN -0.022 nan 8.150 nan 0.000 0.494 1006 P HA 0.227 nan 4.420 nan 0.000 0.269 1006 P C 0.608 177.919 177.300 0.019 0.000 1.209 1006 P CA 0.454 63.574 63.100 0.034 0.000 0.776 1006 P CB 0.824 32.542 31.700 0.030 0.000 0.876 1007 A N 2.690 125.512 122.820 0.002 0.000 2.067 1007 A HA -0.177 4.141 4.320 -0.003 0.000 0.219 1007 A C 1.768 179.355 177.584 0.006 0.000 1.158 1007 A CA 1.400 53.438 52.037 0.001 0.000 0.661 1007 A CB -0.903 18.095 19.000 -0.004 0.000 0.801 1007 A HN 0.525 nan 8.150 nan 0.000 0.452 1008 E N -0.570 119.628 120.200 -0.002 0.000 2.204 1008 E HA -0.145 4.203 4.350 -0.003 0.000 0.195 1008 E C 1.715 178.311 176.600 -0.007 0.000 0.990 1008 E CA 0.834 57.225 56.400 -0.015 0.000 0.821 1008 E CB -0.349 29.333 29.700 -0.030 0.000 0.750 1008 E HN 0.576 nan 8.360 nan 0.000 0.477 1009 L N 1.259 122.490 121.223 0.013 0.000 2.191 1009 L HA -0.079 4.259 4.340 -0.003 0.000 0.212 1009 L C 0.774 177.669 176.870 0.041 0.000 1.103 1009 L CA 1.073 55.929 54.840 0.027 0.000 0.769 1009 L CB -0.205 41.893 42.059 0.066 0.000 0.908 1009 L HN 0.005 nan 8.230 nan 0.000 0.438 1010 E N -0.092 120.135 120.200 0.045 0.000 2.491 1010 E HA 0.199 4.547 4.350 -0.003 0.000 0.250 1010 E C 1.136 177.764 176.600 0.048 0.000 1.061 1010 E CA 0.659 57.097 56.400 0.063 0.000 0.942 1010 E CB -0.385 29.357 29.700 0.071 0.000 0.957 1010 E HN 0.508 nan 8.360 nan 0.000 0.480 1011 G N 3.865 112.698 108.800 0.056 0.000 2.162 1011 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.260 1011 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.260 1011 G C 0.534 175.453 174.900 0.033 0.000 0.976 1011 G CA 0.366 45.492 45.100 0.043 0.000 0.655 1011 G HN 0.580 nan 8.290 nan 0.000 0.533 1012 L N -0.010 121.230 121.223 0.029 0.000 2.131 1012 L HA 0.442 4.780 4.340 -0.003 0.000 0.206 1012 L C 1.479 178.372 176.870 0.039 0.000 1.087 1012 L CA 1.196 56.051 54.840 0.025 0.000 0.767 1012 L CB -0.062 41.999 42.059 0.003 0.000 0.917 1012 L HN 0.351 nan 8.230 nan 0.000 0.441 1013 L N 0.917 122.161 121.223 0.035 0.000 2.292 1013 L HA 0.195 4.532 4.340 -0.003 0.000 0.284 1013 L C -0.313 176.582 176.870 0.041 0.000 1.065 1013 L CA -0.601 54.260 54.840 0.035 0.000 0.806 1013 L CB 0.656 42.735 42.059 0.033 0.000 1.175 1013 L HN 0.008 nan 8.230 nan 0.000 0.431 1014 D N 3.795 124.215 120.400 0.034 0.000 2.346 1014 D HA 0.048 4.686 4.640 -0.003 0.000 0.267 1014 D C 0.905 177.227 176.300 0.036 0.000 1.320 1014 D CA 0.151 54.168 54.000 0.029 0.000 0.951 1014 D CB 0.760 41.569 40.800 0.015 0.000 1.079 1014 D HN 0.404 nan 8.370 nan 0.000 0.509 1015 L N 2.740 123.988 121.223 0.042 0.000 2.622 1015 L HA 0.007 4.345 4.340 -0.003 0.000 0.233 1015 L C 1.851 178.744 176.870 0.039 0.000 1.156 1015 L CA 0.410 55.278 54.840 0.046 0.000 0.866 1015 L CB -0.148 41.938 42.059 0.045 0.000 0.980 1015 L HN 0.434 nan 8.230 nan 0.000 0.448 1016 E N 0.465 120.685 120.200 0.034 0.000 2.478 1016 E HA 0.002 4.350 4.350 -0.003 0.000 0.194 1016 E C 0.972 177.589 176.600 0.029 0.000 1.045 1016 E CA 0.136 56.555 56.400 0.032 0.000 0.868 1016 E CB 0.397 30.114 29.700 0.029 0.000 0.885 1016 E HN 0.396 nan 8.360 nan 0.000 0.505 1017 R N -0.060 120.457 120.500 0.029 0.000 2.642 1017 R HA 0.216 4.554 4.340 -0.003 0.000 0.435 1017 R C -0.933 175.392 176.300 0.042 0.000 1.046 1017 R CA -0.110 56.005 56.100 0.024 0.000 1.103 1017 R CB 1.662 31.965 30.300 0.006 0.000 1.425 1017 R HN -0.128 nan 8.270 nan 0.000 0.586 1018 V N 3.189 123.138 119.914 0.058 0.000 2.328 1018 V HA 0.299 4.417 4.120 -0.003 0.000 0.278 1018 V C 0.143 176.273 176.094 0.059 0.000 1.021 1018 V CA -0.726 61.628 62.300 0.090 0.000 0.838 1018 V CB 1.598 33.495 31.823 0.122 0.000 0.999 1018 V HN 0.166 nan 8.190 nan 0.000 0.447 1019 I N 5.877 126.480 120.570 0.054 0.000 2.396 1019 I HA 0.357 4.525 4.170 -0.003 0.000 0.289 1019 I C 0.124 176.252 176.117 0.017 0.000 1.056 1019 I CA 0.110 61.429 61.300 0.032 0.000 1.365 1019 I CB 1.177 39.193 38.000 0.026 0.000 1.407 1019 I HN 0.239 nan 8.210 nan 0.000 0.509 1020 V N 7.241 127.160 119.914 0.008 0.000 2.823 1020 V HA 0.426 4.544 4.120 -0.003 0.000 0.312 1020 V C -0.123 175.978 176.094 0.012 0.000 1.072 1020 V CA -0.780 61.516 62.300 -0.007 0.000 0.937 1020 V CB 3.057 34.866 31.823 -0.024 0.000 1.013 1020 V HN 0.418 nan 8.190 nan 0.000 0.430 1021 V N 3.924 123.853 119.914 0.025 0.000 2.407 1021 V HA 0.306 4.424 4.120 -0.003 0.000 0.278 1021 V C 0.879 177.070 176.094 0.162 0.000 1.037 1021 V CA 0.222 62.562 62.300 0.067 0.000 0.900 1021 V CB 1.263 33.114 31.823 0.046 0.000 0.983 1021 V HN 1.054 nan 8.190 nan 0.000 0.459 1022 T N 2.968 117.608 114.554 0.143 0.000 3.018 1022 T HA 0.373 4.721 4.350 -0.003 0.000 0.246 1022 T C 0.560 175.391 174.700 0.218 0.000 1.026 1022 T CA 0.781 62.966 62.100 0.141 0.000 1.081 1022 T CB 0.635 69.523 68.868 0.033 0.000 0.970 1022 T HN 0.860 nan 8.240 nan 0.000 0.475 1023 G N 0.797 109.667 108.800 0.118 0.000 2.660 1023 G HA2 0.611 4.569 3.960 -0.003 0.000 0.290 1023 G HA3 0.611 4.569 3.960 -0.003 0.000 0.290 1023 G C -1.975 172.941 174.900 0.026 0.000 1.432 1023 G CA -0.882 44.206 45.100 -0.020 0.000 0.807 1023 G HN 0.274 nan 8.290 nan 0.000 0.485 1024 F N -2.131 117.679 119.950 -0.232 0.000 2.744 1024 F HA 0.899 5.424 4.527 -0.003 0.000 0.311 1024 F C -0.508 175.244 175.800 -0.079 0.000 1.144 1024 F CA -0.882 57.028 58.000 -0.150 0.000 0.938 1024 F CB 1.189 40.078 39.000 -0.186 0.000 1.292 1024 F HN 1.419 nan 8.300 nan 0.000 0.444 1025 A N 1.092 124.007 122.820 0.158 0.000 2.586 1025 A HA 0.799 5.117 4.320 -0.003 0.000 0.290 1025 A C -1.813 175.905 177.584 0.223 0.000 1.086 1025 A CA -0.419 51.684 52.037 0.109 0.000 0.665 1025 A CB 1.955 20.998 19.000 0.072 0.000 1.279 1025 A HN 1.197 nan 8.150 nan 0.000 0.423 1026 E N -0.386 119.925 120.200 0.185 0.000 2.392 1026 E HA 0.645 4.993 4.350 -0.003 0.000 0.279 1026 E C -1.715 174.972 176.600 0.145 0.000 0.964 1026 E CA -1.004 55.518 56.400 0.203 0.000 0.777 1026 E CB 2.055 31.799 29.700 0.072 0.000 1.249 1026 E HN 0.459 nan 8.360 nan 0.000 0.449 1027 V N 1.142 121.152 119.914 0.161 0.000 2.378 1027 V HA 0.791 4.909 4.120 -0.003 0.000 0.288 1027 V C 0.132 176.181 176.094 -0.076 0.000 1.016 1027 V CA 0.208 62.522 62.300 0.024 0.000 0.840 1027 V CB 0.963 32.759 31.823 -0.045 0.000 0.994 1027 V HN 0.865 nan 8.190 nan 0.000 0.431 1028 G N 4.682 113.372 108.800 -0.182 0.000 2.663 1028 G HA2 0.549 4.507 3.960 -0.003 0.000 0.299 1028 G HA3 0.549 4.507 3.960 -0.003 0.000 0.299 1028 G C -2.721 172.056 174.900 -0.205 0.000 1.372 1028 G CA -0.865 44.093 45.100 -0.236 0.000 0.781 1028 G HN 0.376 nan 8.290 nan 0.000 0.491 1029 P HA -0.064 nan 4.420 nan 0.000 0.218 1029 P C 0.405 177.491 177.300 -0.356 0.000 1.146 1029 P CA 1.309 64.271 63.100 -0.231 0.000 0.813 1029 P CB 0.170 31.767 31.700 -0.171 0.000 0.778 1030 W N -1.131 120.124 121.300 -0.075 0.000 2.862 1030 W HA 0.430 5.088 4.660 -0.003 0.000 0.426 1030 W C 1.222 177.796 176.519 0.093 0.000 0.950 1030 W CA 0.465 57.828 57.345 0.030 0.000 2.150 1030 W CB 0.466 29.919 29.460 -0.012 0.000 1.161 1030 W HN 0.049 nan 8.180 nan 0.000 0.696 1031 G N 0.761 109.691 108.800 0.217 0.000 2.936 1031 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.237 1031 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.237 1031 G C 0.163 175.203 174.900 0.234 0.000 1.403 1031 G CA -0.044 45.217 45.100 0.269 0.000 1.011 1031 G HN 0.413 nan 8.290 nan 0.000 0.568 1032 S N -0.230 115.628 115.700 0.264 0.000 2.751 1032 S HA 0.818 5.286 4.470 -0.003 0.000 0.310 1032 S C 1.549 176.255 174.600 0.177 0.000 1.128 1032 S CA 0.647 58.978 58.200 0.219 0.000 0.931 1032 S CB 1.461 64.833 63.200 0.287 0.000 1.177 1032 S HN 2.301 nan 8.310 nan 0.000 0.530 1033 A N 0.664 123.574 122.820 0.151 0.000 2.032 1033 A HA -0.093 4.225 4.320 -0.003 0.000 0.221 1033 A C 2.263 179.989 177.584 0.235 0.000 1.165 1033 A CA 1.458 53.603 52.037 0.180 0.000 0.645 1033 A CB -0.776 18.339 19.000 0.192 0.000 0.807 1033 A HN 0.820 nan 8.150 nan 0.000 0.453 1034 R N -0.929 119.699 120.500 0.214 0.000 2.055 1034 R HA -0.073 4.265 4.340 -0.003 0.000 0.228 1034 R C 2.614 179.115 176.300 0.334 0.000 1.143 1034 R CA 1.904 58.157 56.100 0.255 0.000 0.945 1034 R CB -0.708 29.702 30.300 0.184 0.000 0.841 1034 R HN 0.724 nan 8.270 nan 0.000 0.429 1035 T N -0.496 114.262 114.554 0.341 0.000 2.821 1035 T HA -0.090 4.258 4.350 -0.003 0.000 0.267 1035 T C 1.997 176.935 174.700 0.397 0.000 1.046 1035 T CA 0.648 63.025 62.100 0.461 0.000 1.139 1035 T CB -0.128 69.035 68.868 0.492 0.000 0.871 1035 T HN 0.041 nan 8.240 nan 0.000 0.454 1036 R N 0.185 120.863 120.500 0.296 0.000 2.066 1036 R HA -0.080 4.258 4.340 -0.003 0.000 0.232 1036 R C 2.285 178.621 176.300 0.060 0.000 1.131 1036 R CA 1.608 57.797 56.100 0.148 0.000 0.955 1036 R CB -0.985 29.375 30.300 0.100 0.000 0.851 1036 R HN 0.749 nan 8.270 nan 0.000 0.432 1037 W N 2.095 123.397 121.300 0.003 0.000 2.342 1037 W HA -0.203 4.455 4.660 -0.003 0.000 0.297 1037 W C 1.344 177.830 176.519 -0.055 0.000 1.213 1037 W CA 1.356 58.685 57.345 -0.027 0.000 1.251 1037 W CB -0.062 29.429 29.460 0.053 0.000 1.136 1037 W HN 0.249 nan 8.180 nan 0.000 0.526 1038 E N 0.207 120.415 120.200 0.014 0.000 2.077 1038 E HA -0.301 4.047 4.350 -0.003 0.000 0.193 1038 E C 2.052 178.485 176.600 -0.279 0.000 0.989 1038 E CA 1.905 58.304 56.400 -0.001 0.000 0.800 1038 E CB -0.438 29.377 29.700 0.191 0.000 0.746 1038 E HN 0.210 nan 8.360 nan 0.000 0.452 1039 M N 0.914 120.237 119.600 -0.462 0.000 2.200 1039 M HA -0.117 4.361 4.480 -0.003 0.000 0.265 1039 M C 1.933 177.862 176.300 -0.619 0.000 1.066 1039 M CA 1.524 56.383 55.300 -0.735 0.000 1.127 1039 M CB 0.047 31.973 32.600 -1.124 0.000 1.379 1039 M HN -0.010 nan 8.290 nan 0.000 0.420 1040 E N -0.537 119.328 120.200 -0.558 0.000 2.047 1040 E HA -0.133 4.215 4.350 -0.003 0.000 0.191 1040 E C 1.705 177.985 176.600 -0.533 0.000 0.987 1040 E CA 1.316 57.446 56.400 -0.450 0.000 0.799 1040 E CB -0.150 29.369 29.700 -0.300 0.000 0.752 1040 E HN 0.550 nan 8.360 nan 0.000 0.449 1041 A N -0.775 121.454 122.820 -0.984 0.000 2.030 1041 A HA 0.097 4.415 4.320 -0.003 0.000 0.215 1041 A C 1.397 178.297 177.584 -1.140 0.000 1.164 1041 A CA 0.495 51.733 52.037 -1.331 0.000 0.697 1041 A CB -0.149 17.390 19.000 -2.436 0.000 0.827 1041 A HN 0.375 nan 8.150 nan 0.000 0.457 1042 F N -2.527 117.167 119.950 -0.425 0.000 2.747 1042 F HA 0.380 4.905 4.527 -0.003 0.000 0.305 1042 F C 1.888 177.531 175.800 -0.262 0.000 1.065 1042 F CA 0.482 58.306 58.000 -0.293 0.000 1.230 1042 F CB 0.583 39.427 39.000 -0.259 0.000 1.027 1042 F HN 0.323 nan 8.300 nan 0.000 0.607 1043 G N 1.102 109.783 108.800 -0.198 0.000 2.199 1043 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.254 1043 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.254 1043 G C 0.039 174.783 174.900 -0.260 0.000 0.982 1043 G CA 0.390 45.350 45.100 -0.234 0.000 0.632 1043 G HN 0.481 nan 8.290 nan 0.000 0.529 1044 E N -0.657 119.397 120.200 -0.243 0.000 2.433 1044 E HA 0.704 5.052 4.350 -0.003 0.000 0.278 1044 E C -1.047 175.392 176.600 -0.268 0.000 0.976 1044 E CA -1.348 54.908 56.400 -0.239 0.000 0.793 1044 E CB 1.050 30.713 29.700 -0.062 0.000 1.311 1044 E HN 0.065 nan 8.360 nan 0.000 0.460 1045 F N 1.268 121.239 119.950 0.034 0.000 2.371 1045 F HA 0.288 4.813 4.527 -0.003 0.000 0.329 1045 F C 1.360 177.176 175.800 0.026 0.000 1.107 1045 F CA -0.219 57.812 58.000 0.051 0.000 1.137 1045 F CB 1.541 40.592 39.000 0.085 0.000 1.214 1045 F HN 0.616 nan 8.300 nan 0.000 0.536 1046 S N 1.821 117.654 115.700 0.223 0.000 2.546 1046 S HA 0.234 4.702 4.470 -0.003 0.000 0.265 1046 S C 1.172 175.857 174.600 0.143 0.000 1.190 1046 S CA -0.637 57.633 58.200 0.117 0.000 1.014 1046 S CB 0.222 63.465 63.200 0.072 0.000 1.087 1046 S HN 0.740 nan 8.310 nan 0.000 0.525 1047 L N 0.462 121.746 121.223 0.103 0.000 2.027 1047 L HA -0.075 4.263 4.340 -0.003 0.000 0.206 1047 L C 2.558 179.498 176.870 0.117 0.000 1.074 1047 L CA 1.877 56.779 54.840 0.103 0.000 0.745 1047 L CB -0.810 41.305 42.059 0.094 0.000 0.898 1047 L HN 0.701 nan 8.230 nan 0.000 0.433 1048 E N -0.124 120.155 120.200 0.131 0.000 2.204 1048 E HA -0.134 4.214 4.350 -0.003 0.000 0.195 1048 E C 1.885 178.576 176.600 0.152 0.000 0.990 1048 E CA 0.990 57.480 56.400 0.151 0.000 0.821 1048 E CB -0.433 29.363 29.700 0.159 0.000 0.750 1048 E HN 0.592 nan 8.360 nan 0.000 0.477 1049 G N 0.169 109.082 108.800 0.188 0.000 2.484 1049 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.215 1049 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.215 1049 G C 1.748 176.614 174.900 -0.056 0.000 1.219 1049 G CA 0.985 46.228 45.100 0.238 0.000 0.791 1049 G HN 0.377 nan 8.290 nan 0.000 0.550 1050 C N -0.061 119.211 119.300 -0.047 0.000 2.413 1050 C HA -0.025 4.433 4.460 -0.003 0.000 0.276 1050 C C 3.142 178.055 174.990 -0.129 0.000 1.236 1050 C CA 0.828 59.757 59.018 -0.148 0.000 1.735 1050 C CB -1.011 26.713 27.740 -0.026 0.000 2.031 1050 C HN 0.276 nan 8.230 nan 0.000 0.474 1051 V N 0.779 120.658 119.914 -0.058 0.000 2.332 1051 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 1051 V C 2.434 178.453 176.094 -0.124 0.000 1.055 1051 V CA 2.371 64.597 62.300 -0.124 0.000 1.038 1051 V CB -0.797 31.035 31.823 0.015 0.000 0.651 1051 V HN 0.643 nan 8.190 nan 0.000 0.450 1052 E N -0.508 119.690 120.200 -0.005 0.000 2.047 1052 E HA -0.214 4.134 4.350 -0.003 0.000 0.191 1052 E C 2.351 179.017 176.600 0.110 0.000 0.987 1052 E CA 1.250 57.700 56.400 0.084 0.000 0.799 1052 E CB -0.063 29.726 29.700 0.149 0.000 0.752 1052 E HN 0.351 nan 8.360 nan 0.000 0.449 1053 M N 0.619 120.201 119.600 -0.031 0.000 2.080 1053 M HA -0.138 4.340 4.480 -0.003 0.000 0.260 1053 M C 2.486 178.777 176.300 -0.015 0.000 1.068 1053 M CA 1.620 56.882 55.300 -0.063 0.000 1.109 1053 M CB -1.280 31.119 32.600 -0.333 0.000 1.342 1053 M HN 0.245 nan 8.290 nan 0.000 0.405 1054 A N -1.147 121.617 122.820 -0.092 0.000 1.940 1054 A HA -0.235 4.083 4.320 -0.003 0.000 0.219 1054 A C 2.056 179.562 177.584 -0.130 0.000 1.176 1054 A CA 1.683 53.653 52.037 -0.111 0.000 0.631 1054 A CB -1.221 17.561 19.000 -0.363 0.000 0.814 1054 A HN 0.702 nan 8.150 nan 0.000 0.446 1055 W N 1.056 122.140 121.300 -0.360 0.000 2.378 1055 W HA -0.135 4.523 4.660 -0.003 0.000 0.313 1055 W C 1.883 178.235 176.519 -0.278 0.000 1.197 1055 W CA 1.922 59.042 57.345 -0.375 0.000 1.304 1055 W CB -0.363 28.864 29.460 -0.388 0.000 1.148 1055 W HN 0.433 nan 8.180 nan 0.000 0.494 1056 I N 0.340 120.839 120.570 -0.118 0.000 2.226 1056 I HA -0.241 3.927 4.170 -0.003 0.000 0.245 1056 I C 2.105 178.012 176.117 -0.351 0.000 1.100 1056 I CA 2.232 63.313 61.300 -0.365 0.000 1.374 1056 I CB -0.831 37.236 38.000 0.110 0.000 1.057 1056 I HN 0.050 nan 8.210 nan 0.000 0.413 1057 M N 0.491 119.986 119.600 -0.174 0.000 2.557 1057 M HA 0.159 4.637 4.480 -0.003 0.000 0.259 1057 M C 1.627 177.665 176.300 -0.437 0.000 1.086 1057 M CA 1.149 56.330 55.300 -0.198 0.000 1.096 1057 M CB -0.235 32.355 32.600 -0.016 0.000 1.424 1057 M HN 0.702 nan 8.290 nan 0.000 0.488 1058 G N -0.746 107.784 108.800 -0.449 0.000 2.175 1058 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.244 1058 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.244 1058 G C 0.512 175.156 174.900 -0.427 0.000 0.982 1058 G CA 0.018 44.836 45.100 -0.470 0.000 0.641 1058 G HN 0.392 nan 8.290 nan 0.000 0.527 1059 F N 1.154 120.894 119.950 -0.351 0.000 2.102 1059 F HA 0.203 4.728 4.527 -0.003 0.000 0.298 1059 F C 1.994 177.522 175.800 -0.454 0.000 1.105 1059 F CA 1.821 59.553 58.000 -0.446 0.000 1.239 1059 F CB -0.090 38.439 39.000 -0.786 0.000 0.991 1059 F HN 0.491 nan 8.300 nan 0.000 0.474 1060 I N -3.099 117.301 120.570 -0.282 0.000 2.603 1060 I HA 0.628 4.796 4.170 -0.003 0.000 0.300 1060 I C -0.433 175.669 176.117 -0.024 0.000 1.017 1060 I CA -0.710 60.488 61.300 -0.171 0.000 1.098 1060 I CB 2.071 39.875 38.000 -0.327 0.000 1.279 1060 I HN -0.263 nan 8.210 nan 0.000 0.437 1061 S N 3.292 119.121 115.700 0.215 0.000 2.536 1061 S HA 0.460 4.928 4.470 -0.003 0.000 0.287 1061 S C -1.100 173.864 174.600 0.606 0.000 1.101 1061 S CA -0.434 57.972 58.200 0.344 0.000 0.950 1061 S CB 1.243 64.534 63.200 0.152 0.000 1.056 1061 S HN 0.575 nan 8.310 nan 0.000 0.481 1062 Y N 4.531 125.154 120.300 0.539 0.000 2.411 1062 Y HA 0.374 4.922 4.550 -0.003 0.000 0.333 1062 Y C 0.110 176.145 175.900 0.226 0.000 1.186 1062 Y CA 0.403 58.653 58.100 0.251 0.000 1.381 1062 Y CB 0.472 38.887 38.460 -0.075 0.000 1.273 1062 Y HN 0.733 nan 8.280 nan 0.000 0.546 1063 H N 6.420 125.006 119.070 -0.807 0.000 2.865 1063 H HA 0.291 4.845 4.556 -0.003 0.000 0.362 1063 H C -1.796 173.060 175.328 -0.787 0.000 1.114 1063 H CA -0.838 54.888 56.048 -0.537 0.000 1.208 1063 H CB 1.662 31.372 29.762 -0.088 0.000 1.727 1063 H HN 0.914 nan 8.280 nan 0.000 0.534 1064 N N 3.720 121.754 118.700 -1.110 0.000 2.571 1064 N HA 0.423 5.161 4.740 -0.003 0.000 0.286 1064 N C -1.093 174.038 175.510 -0.632 0.000 1.138 1064 N CA 0.045 52.650 53.050 -0.742 0.000 0.859 1064 N CB 1.639 39.946 38.487 -0.301 0.000 1.414 1064 N HN 0.936 nan 8.380 nan 0.000 0.529 1065 G N 2.167 110.644 108.800 -0.539 0.000 2.367 1065 G HA2 0.056 4.014 3.960 -0.003 0.000 0.272 1065 G HA3 0.056 4.014 3.960 -0.003 0.000 0.272 1065 G C -1.778 173.131 174.900 0.015 0.000 1.271 1065 G CA -0.939 44.034 45.100 -0.213 0.000 0.893 1065 G HN 0.536 nan 8.290 nan 0.000 0.485 1066 N N 0.312 119.083 118.700 0.118 0.000 2.434 1066 N HA 0.558 5.296 4.740 -0.003 0.000 0.272 1066 N C -0.503 175.126 175.510 0.200 0.000 1.040 1066 N CA -0.376 52.757 53.050 0.139 0.000 0.956 1066 N CB 1.730 40.261 38.487 0.074 0.000 1.108 1066 N HN 0.249 nan 8.380 nan 0.000 0.481 1067 L N 3.624 124.947 121.223 0.166 0.000 2.297 1067 L HA 0.291 4.629 4.340 -0.003 0.000 0.277 1067 L C -0.199 176.675 176.870 0.007 0.000 1.040 1067 L CA -0.594 54.281 54.840 0.058 0.000 0.867 1067 L CB 0.478 42.533 42.059 -0.006 0.000 1.244 1067 L HN 0.591 nan 8.230 nan 0.000 0.433 1068 K N 3.387 123.784 120.400 -0.005 0.000 4.007 1068 K HA -0.248 4.070 4.320 -0.003 0.000 0.279 1068 K C 0.837 177.439 176.600 0.004 0.000 0.919 1068 K CA 0.806 57.087 56.287 -0.010 0.000 0.800 1068 K CB -1.081 31.402 32.500 -0.028 0.000 1.572 1068 K HN 1.138 nan 8.250 nan 0.000 0.443 1069 G N 0.474 109.283 108.800 0.016 0.000 5.005 1069 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.251 1069 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.251 1069 G C -0.049 174.868 174.900 0.029 0.000 1.536 1069 G CA 0.162 45.273 45.100 0.018 0.000 1.060 1069 G HN 0.442 nan 8.290 nan 0.000 0.683 1070 R N 2.070 122.590 120.500 0.033 0.000 2.641 1070 R HA 0.463 4.801 4.340 -0.003 0.000 0.269 1070 R C -2.688 173.657 176.300 0.075 0.000 1.074 1070 R CA -1.141 54.986 56.100 0.046 0.000 1.133 1070 R CB 0.303 30.630 30.300 0.046 0.000 1.029 1070 R HN 0.293 nan 8.270 nan 0.000 0.488 1071 P HA 0.147 nan 4.420 nan 0.000 0.282 1071 P C -1.425 175.964 177.300 0.147 0.000 1.249 1071 P CA -0.252 62.898 63.100 0.082 0.000 0.806 1071 P CB 0.498 32.216 31.700 0.031 0.000 0.984 1072 Y N 0.780 121.072 120.300 -0.013 0.000 2.545 1072 Y HA 0.631 5.179 4.550 -0.003 0.000 0.348 1072 Y C -0.958 174.868 175.900 -0.123 0.000 1.002 1072 Y CA -0.459 57.629 58.100 -0.021 0.000 1.039 1072 Y CB 2.019 40.520 38.460 0.068 0.000 1.271 1072 Y HN 0.232 nan 8.280 nan 0.000 0.467 1073 T N 3.790 117.802 114.554 -0.904 0.000 3.186 1073 T HA 0.661 5.009 4.350 -0.003 0.000 0.320 1073 T C -0.596 173.526 174.700 -0.962 0.000 0.955 1073 T CA -0.069 61.579 62.100 -0.752 0.000 1.030 1073 T CB 0.586 69.235 68.868 -0.366 0.000 1.013 1073 T HN 1.192 nan 8.240 nan 0.000 0.454 1074 G N 2.207 110.445 108.800 -0.938 0.000 2.350 1074 G HA2 0.280 4.238 3.960 -0.003 0.000 0.276 1074 G HA3 0.280 4.238 3.960 -0.003 0.000 0.276 1074 G C -1.796 172.996 174.900 -0.179 0.000 1.313 1074 G CA -1.048 43.700 45.100 -0.586 0.000 0.903 1074 G HN 0.526 nan 8.290 nan 0.000 0.490 1075 W N -0.566 120.887 121.300 0.256 0.000 2.184 1075 W HA 0.557 5.215 4.660 -0.003 0.000 0.338 1075 W C 0.237 176.939 176.519 0.305 0.000 1.257 1075 W CA -0.473 57.036 57.345 0.273 0.000 1.243 1075 W CB 1.436 31.025 29.460 0.216 0.000 1.122 1075 W HN 0.267 nan 8.180 nan 0.000 0.585 1076 V N 2.338 122.551 119.914 0.499 0.000 2.733 1076 V HA 0.030 4.148 4.120 -0.003 0.000 0.306 1076 V C -0.544 175.666 176.094 0.195 0.000 1.084 1076 V CA -0.955 61.496 62.300 0.252 0.000 0.905 1076 V CB 1.848 33.762 31.823 0.151 0.000 1.010 1076 V HN 0.411 nan 8.190 nan 0.000 0.424 1077 D N 2.849 123.342 120.400 0.155 0.000 2.412 1077 D HA 0.027 4.665 4.640 -0.003 0.000 0.257 1077 D C 1.356 177.704 176.300 0.079 0.000 1.217 1077 D CA 0.702 54.796 54.000 0.157 0.000 0.897 1077 D CB 1.537 42.452 40.800 0.192 0.000 1.132 1077 D HN 0.642 nan 8.370 nan 0.000 0.493 1078 S N 3.682 119.410 115.700 0.047 0.000 2.423 1078 S HA -0.148 4.320 4.470 -0.003 0.000 0.231 1078 S C 1.686 176.281 174.600 -0.009 0.000 1.014 1078 S CA 0.619 58.821 58.200 0.004 0.000 0.965 1078 S CB 0.146 63.322 63.200 -0.040 0.000 0.785 1078 S HN 0.419 nan 8.310 nan 0.000 0.495 1079 K N 1.205 121.611 120.400 0.010 0.000 2.007 1079 K HA -0.027 4.291 4.320 -0.003 0.000 0.206 1079 K C 2.649 179.250 176.600 0.001 0.000 1.047 1079 K CA 1.715 58.003 56.287 0.002 0.000 0.937 1079 K CB -0.414 32.098 32.500 0.020 0.000 0.718 1079 K HN 0.599 nan 8.250 nan 0.000 0.438 1080 T N -2.269 112.294 114.554 0.016 0.000 3.051 1080 T HA 0.081 4.429 4.350 -0.003 0.000 0.255 1080 T C 0.617 175.300 174.700 -0.027 0.000 1.085 1080 T CA 0.371 62.470 62.100 -0.002 0.000 1.109 1080 T CB 0.116 68.989 68.868 0.008 0.000 0.921 1080 T HN 0.031 nan 8.240 nan 0.000 0.488 1081 K N 0.946 121.329 120.400 -0.029 0.000 3.274 1081 K HA -0.125 4.193 4.320 -0.003 0.000 0.300 1081 K C -0.275 176.262 176.600 -0.106 0.000 1.230 1081 K CA 0.833 57.075 56.287 -0.075 0.000 0.884 1081 K CB -1.855 30.584 32.500 -0.102 0.000 1.242 1081 K HN 0.741 nan 8.250 nan 0.000 0.467 1082 E N 0.307 120.467 120.200 -0.067 0.000 2.318 1082 E HA 0.259 4.607 4.350 -0.003 0.000 0.265 1082 E C -2.323 174.215 176.600 -0.104 0.000 1.069 1082 E CA -2.122 54.221 56.400 -0.095 0.000 0.893 1082 E CB 0.806 30.473 29.700 -0.056 0.000 1.076 1082 E HN -0.048 nan 8.360 nan 0.000 0.414 1083 P HA 0.096 nan 4.420 nan 0.000 0.274 1083 P C -0.998 176.301 177.300 -0.003 0.000 1.231 1083 P CA -0.199 62.732 63.100 -0.282 0.000 0.790 1083 P CB 0.690 31.991 31.700 -0.665 0.000 0.951 1084 V N 2.483 122.506 119.914 0.182 0.000 2.638 1084 V HA 0.280 4.398 4.120 -0.003 0.000 0.306 1084 V C -0.396 175.897 176.094 0.332 0.000 1.052 1084 V CA -0.601 61.848 62.300 0.249 0.000 0.885 1084 V CB 2.079 34.090 31.823 0.314 0.000 0.999 1084 V HN 0.432 nan 8.190 nan 0.000 0.424 1085 D N 2.554 123.102 120.400 0.246 0.000 2.255 1085 D HA 0.249 4.887 4.640 -0.003 0.000 0.249 1085 D C 0.571 177.021 176.300 0.250 0.000 1.078 1085 D CA -0.276 53.871 54.000 0.244 0.000 0.896 1085 D CB 1.889 42.787 40.800 0.164 0.000 1.194 1085 D HN 0.544 nan 8.370 nan 0.000 0.429 1086 D N 1.055 121.624 120.400 0.283 0.000 2.133 1086 D HA -0.223 4.415 4.640 -0.003 0.000 0.192 1086 D C 1.629 178.028 176.300 0.165 0.000 1.001 1086 D CA 1.597 55.755 54.000 0.262 0.000 0.844 1086 D CB -0.010 40.943 40.800 0.254 0.000 0.944 1086 D HN 0.445 nan 8.370 nan 0.000 0.447 1087 K N 0.099 120.578 120.400 0.133 0.000 2.585 1087 K HA -0.045 4.273 4.320 -0.003 0.000 0.194 1087 K C 0.620 177.268 176.600 0.079 0.000 1.037 1087 K CA 1.126 57.469 56.287 0.093 0.000 0.964 1087 K CB 0.196 32.741 32.500 0.075 0.000 0.787 1087 K HN 0.045 nan 8.250 nan 0.000 0.488 1088 D N -0.295 120.161 120.400 0.094 0.000 2.454 1088 D HA 0.053 4.691 4.640 -0.003 0.000 0.219 1088 D C 1.616 177.954 176.300 0.064 0.000 1.081 1088 D CA 0.119 54.157 54.000 0.063 0.000 0.867 1088 D CB 0.247 41.083 40.800 0.061 0.000 1.054 1088 D HN 0.015 nan 8.370 nan 0.000 0.500 1089 V N 1.758 121.747 119.914 0.126 0.000 2.317 1089 V HA -0.333 3.785 4.120 -0.003 0.000 0.251 1089 V C 2.511 178.678 176.094 0.122 0.000 1.065 1089 V CA 2.067 64.482 62.300 0.191 0.000 1.049 1089 V CB -0.319 31.570 31.823 0.110 0.000 0.651 1089 V HN 0.163 nan 8.190 nan 0.000 0.450 1090 K N 0.106 120.544 120.400 0.063 0.000 1.985 1090 K HA -0.158 4.160 4.320 -0.003 0.000 0.210 1090 K C 2.216 178.812 176.600 -0.006 0.000 1.047 1090 K CA 1.701 58.012 56.287 0.040 0.000 0.932 1090 K CB -0.547 31.984 32.500 0.052 0.000 0.716 1090 K HN 0.377 nan 8.250 nan 0.000 0.439 1091 A N 1.254 124.061 122.820 -0.022 0.000 1.917 1091 A HA -0.223 4.095 4.320 -0.003 0.000 0.219 1091 A C 1.965 179.466 177.584 -0.138 0.000 1.182 1091 A CA 1.993 53.996 52.037 -0.057 0.000 0.633 1091 A CB -0.465 18.508 19.000 -0.044 0.000 0.819 1091 A HN 0.373 nan 8.150 nan 0.000 0.448 1092 K N -2.609 117.650 120.400 -0.235 0.000 2.186 1092 K HA -0.001 4.317 4.320 -0.003 0.000 0.202 1092 K C 1.256 177.412 176.600 -0.739 0.000 1.052 1092 K CA 1.386 57.349 56.287 -0.540 0.000 0.965 1092 K CB -0.041 31.972 32.500 -0.813 0.000 0.746 1092 K HN 0.697 nan 8.250 nan 0.000 0.457 1093 Y N -0.314 119.850 120.300 -0.226 0.000 2.652 1093 Y HA 0.104 4.652 4.550 -0.003 0.000 0.275 1093 Y C 2.075 177.753 175.900 -0.370 0.000 1.133 1093 Y CA -0.338 57.491 58.100 -0.453 0.000 1.246 1093 Y CB 0.010 38.072 38.460 -0.663 0.000 1.334 1093 Y HN -0.005 nan 8.280 nan 0.000 0.493 1094 E N 0.801 120.968 120.200 -0.055 0.000 2.097 1094 E HA -0.217 4.131 4.350 -0.003 0.000 0.196 1094 E C 1.448 178.071 176.600 0.038 0.000 1.000 1094 E CA 2.376 58.780 56.400 0.007 0.000 0.804 1094 E CB 0.009 29.754 29.700 0.075 0.000 0.740 1094 E HN 0.445 nan 8.360 nan 0.000 0.454 1095 T N -0.316 114.246 114.554 0.013 0.000 2.721 1095 T HA -0.210 4.138 4.350 -0.003 0.000 0.268 1095 T C 2.021 176.762 174.700 0.070 0.000 1.038 1095 T CA 1.559 63.682 62.100 0.040 0.000 1.145 1095 T CB -0.349 68.523 68.868 0.008 0.000 0.858 1095 T HN 0.094 nan 8.240 nan 0.000 0.459 1096 S N -0.035 115.686 115.700 0.034 0.000 2.421 1096 S HA 0.151 4.619 4.470 -0.003 0.000 0.224 1096 S C 2.027 176.748 174.600 0.202 0.000 1.035 1096 S CA -0.073 58.205 58.200 0.130 0.000 0.953 1096 S CB -0.369 62.880 63.200 0.082 0.000 0.810 1096 S HN 0.445 nan 8.310 nan 0.000 0.497 1097 I N 1.649 122.245 120.570 0.043 0.000 2.151 1097 I HA -0.224 3.944 4.170 -0.003 0.000 0.243 1097 I C 2.154 178.398 176.117 0.212 0.000 1.080 1097 I CA 1.313 62.696 61.300 0.138 0.000 1.339 1097 I CB -0.394 37.608 38.000 0.003 0.000 1.039 1097 I HN 0.325 nan 8.210 nan 0.000 0.409 1098 L N 0.184 121.542 121.223 0.226 0.000 2.083 1098 L HA -0.203 4.135 4.340 -0.003 0.000 0.209 1098 L C 2.356 179.332 176.870 0.177 0.000 1.083 1098 L CA 1.356 56.367 54.840 0.286 0.000 0.752 1098 L CB -0.481 41.754 42.059 0.292 0.000 0.899 1098 L HN 0.269 nan 8.230 nan 0.000 0.433 1099 E N -1.146 119.151 120.200 0.161 0.000 2.338 1099 E HA -0.128 4.220 4.350 -0.003 0.000 0.197 1099 E C 0.694 177.219 176.600 -0.126 0.000 1.007 1099 E CA 0.553 56.982 56.400 0.049 0.000 0.849 1099 E CB 0.171 29.933 29.700 0.104 0.000 0.774 1099 E HN 0.552 nan 8.360 nan 0.000 0.506 1100 H N -0.755 118.337 119.070 0.038 0.000 2.549 1100 H HA 0.235 4.789 4.556 -0.003 0.000 0.253 1100 H C -0.353 174.924 175.328 -0.086 0.000 1.170 1100 H CA -0.073 55.978 56.048 0.005 0.000 0.943 1100 H CB 0.620 30.423 29.762 0.069 0.000 1.849 1100 H HN 0.005 nan 8.280 nan 0.000 0.603 1101 S N -1.328 114.274 115.700 -0.162 0.000 2.685 1101 S HA 0.716 5.184 4.470 -0.003 0.000 0.282 1101 S C 0.529 174.634 174.600 -0.825 0.000 1.159 1101 S CA -0.412 57.507 58.200 -0.469 0.000 0.833 1101 S CB 2.875 65.760 63.200 -0.524 0.000 1.151 1101 S HN 0.497 nan 8.310 nan 0.000 0.485 1102 G N 0.355 108.413 108.800 -1.236 0.000 2.593 1102 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.237 1102 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.237 1102 G C -0.727 173.991 174.900 -0.304 0.000 1.312 1102 G CA -0.296 44.205 45.100 -0.998 0.000 0.896 1102 G HN 1.042 nan 8.290 nan 0.000 0.574 1103 I N 2.637 123.178 120.570 -0.048 0.000 2.308 1103 I HA 0.435 4.603 4.170 -0.003 0.000 0.293 1103 I C 1.106 177.220 176.117 -0.006 0.000 1.078 1103 I CA -0.070 61.228 61.300 -0.003 0.000 1.292 1103 I CB 0.165 38.209 38.000 0.074 0.000 1.423 1103 I HN 0.718 nan 8.210 nan 0.000 0.493 1104 R N 5.452 125.927 120.500 -0.041 0.000 2.885 1104 R HA 0.649 4.987 4.340 -0.003 0.000 0.260 1104 R C -1.095 175.198 176.300 -0.011 0.000 1.107 1104 R CA -1.116 54.968 56.100 -0.027 0.000 0.978 1104 R CB 1.003 31.255 30.300 -0.079 0.000 1.227 1104 R HN 0.238 nan 8.270 nan 0.000 0.473 1105 L N 1.489 122.718 121.223 0.010 0.000 2.485 1105 L HA 0.156 4.494 4.340 -0.003 0.000 0.275 1105 L C 0.430 177.320 176.870 0.034 0.000 1.207 1105 L CA -0.113 54.748 54.840 0.035 0.000 0.855 1105 L CB 0.304 42.395 42.059 0.053 0.000 1.114 1105 L HN 0.436 nan 8.230 nan 0.000 0.485 1106 I N 3.301 123.901 120.570 0.050 0.000 2.581 1106 I HA -0.026 4.142 4.170 -0.003 0.000 0.285 1106 I C 0.387 176.598 176.117 0.157 0.000 1.129 1106 I CA 0.236 61.608 61.300 0.120 0.000 1.397 1106 I CB 0.052 38.121 38.000 0.115 0.000 1.399 1106 I HN 0.589 nan 8.210 nan 0.000 0.537 1107 E N 8.939 129.270 120.200 0.218 0.000 2.089 1107 E HA 0.154 4.502 4.350 -0.003 0.000 0.284 1107 E C -1.751 174.980 176.600 0.218 0.000 1.023 1107 E CA -1.630 54.868 56.400 0.163 0.000 0.819 1107 E CB 0.904 30.674 29.700 0.116 0.000 1.076 1107 E HN 0.412 nan 8.360 nan 0.000 0.396 1108 P HA -0.155 nan 4.420 nan 0.000 0.223 1108 P C 1.105 178.500 177.300 0.159 0.000 1.151 1108 P CA 0.752 63.974 63.100 0.204 0.000 0.787 1108 P CB 0.312 32.074 31.700 0.104 0.000 0.788 1109 E N 0.193 120.442 120.200 0.082 0.000 2.209 1109 E HA -0.134 4.214 4.350 -0.003 0.000 0.196 1109 E C 1.392 177.970 176.600 -0.037 0.000 0.993 1109 E CA 0.767 57.184 56.400 0.028 0.000 0.819 1109 E CB -0.438 29.268 29.700 0.010 0.000 0.745 1109 E HN 0.222 nan 8.360 nan 0.000 0.477 1110 L N -0.237 120.902 121.223 -0.140 0.000 2.591 1110 L HA 0.064 4.402 4.340 -0.003 0.000 0.228 1110 L C 0.170 176.603 176.870 -0.728 0.000 1.133 1110 L CA 0.044 54.600 54.840 -0.473 0.000 0.880 1110 L CB 0.254 41.890 42.059 -0.706 0.000 1.033 1110 L HN 0.102 nan 8.230 nan 0.000 0.450 1111 F N -0.536 119.519 119.950 0.175 0.000 2.605 1111 F HA 0.297 4.822 4.527 -0.003 0.000 0.391 1111 F C 0.544 176.439 175.800 0.159 0.000 1.429 1111 F CA -0.897 57.226 58.000 0.205 0.000 1.138 1111 F CB -0.272 38.931 39.000 0.339 0.000 1.198 1111 F HN -0.021 nan 8.300 nan 0.000 0.516 1112 N N 0.605 119.423 118.700 0.197 0.000 2.713 1112 N HA -0.227 4.510 4.740 -0.003 0.000 0.251 1112 N C 1.354 176.955 175.510 0.152 0.000 1.117 1112 N CA 1.405 54.539 53.050 0.141 0.000 0.770 1112 N CB -1.200 37.361 38.487 0.123 0.000 1.137 1112 N HN 0.808 nan 8.380 nan 0.000 0.566 1113 G N -0.847 108.069 108.800 0.192 0.000 2.163 1113 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.213 1113 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.213 1113 G C -0.147 174.876 174.900 0.205 0.000 0.991 1113 G CA 0.129 45.326 45.100 0.161 0.000 0.653 1113 G HN 0.568 nan 8.290 nan 0.000 0.518 1114 Y N 2.140 122.543 120.300 0.173 0.000 2.802 1114 Y HA 0.420 4.968 4.550 -0.003 0.000 0.333 1114 Y C 0.028 176.021 175.900 0.154 0.000 1.244 1114 Y CA -0.243 57.940 58.100 0.138 0.000 1.558 1114 Y CB 0.378 38.914 38.460 0.127 0.000 1.233 1114 Y HN 0.167 nan 8.280 nan 0.000 0.547 1115 N N 8.761 127.317 118.700 -0.240 0.000 2.524 1115 N HA 0.305 5.043 4.740 -0.003 0.000 0.261 1115 N C -2.360 172.925 175.510 -0.375 0.000 0.998 1115 N CA -2.249 50.615 53.050 -0.309 0.000 0.915 1115 N CB 1.939 40.380 38.487 -0.076 0.000 1.187 1115 N HN 0.316 nan 8.380 nan 0.000 0.507 1116 P HA -0.086 nan 4.420 nan 0.000 0.219 1116 P C 0.627 177.973 177.300 0.077 0.000 1.146 1116 P CA 1.224 64.258 63.100 -0.110 0.000 0.808 1116 P CB 0.554 32.218 31.700 -0.060 0.000 0.779 1117 E N -0.775 119.425 120.200 0.001 0.000 2.216 1117 E HA -0.062 4.286 4.350 -0.003 0.000 0.192 1117 E C 1.014 177.642 176.600 0.047 0.000 0.988 1117 E CA 0.683 57.108 56.400 0.041 0.000 0.834 1117 E CB 0.040 29.754 29.700 0.024 0.000 0.772 1117 E HN 0.189 nan 8.360 nan 0.000 0.479 1118 K N 1.548 121.963 120.400 0.025 0.000 2.753 1118 K HA 0.128 4.446 4.320 -0.003 0.000 0.185 1118 K C -1.047 175.569 176.600 0.026 0.000 1.071 1118 K CA -0.233 56.070 56.287 0.026 0.000 0.999 1118 K CB 0.610 33.121 32.500 0.018 0.000 1.244 1118 K HN -0.219 nan 8.250 nan 0.000 0.594 1119 K N 2.669 123.086 120.400 0.029 0.000 2.276 1119 K HA 0.117 4.435 4.320 -0.003 0.000 0.285 1119 K C -0.706 175.868 176.600 -0.044 0.000 1.062 1119 K CA -0.226 56.062 56.287 0.002 0.000 0.918 1119 K CB 0.741 33.197 32.500 -0.074 0.000 1.055 1119 K HN 0.456 nan 8.250 nan 0.000 0.477 1120 E N 4.520 124.702 120.200 -0.030 0.000 2.316 1120 E HA 0.139 4.487 4.350 -0.003 0.000 0.275 1120 E C -0.376 176.182 176.600 -0.070 0.000 1.029 1120 E CA 0.330 56.709 56.400 -0.034 0.000 0.871 1120 E CB 0.978 30.672 29.700 -0.010 0.000 1.022 1120 E HN 0.441 nan 8.360 nan 0.000 0.418 1121 M N 2.766 122.337 119.600 -0.049 0.000 2.520 1121 M HA 0.426 4.904 4.480 -0.003 0.000 0.280 1121 M C -0.750 175.549 176.300 -0.001 0.000 1.232 1121 M CA -0.775 54.497 55.300 -0.046 0.000 0.892 1121 M CB 2.088 34.647 32.600 -0.068 0.000 1.728 1121 M HN 0.432 nan 8.290 nan 0.000 0.475 1122 I N -0.497 120.082 120.570 0.016 0.000 2.525 1122 I HA 0.721 4.889 4.170 -0.003 0.000 0.301 1122 I C -1.053 175.155 176.117 0.151 0.000 0.992 1122 I CA -0.654 60.694 61.300 0.080 0.000 1.162 1122 I CB 1.830 39.867 38.000 0.061 0.000 1.332 1122 I HN 0.794 nan 8.210 nan 0.000 0.458 1123 Q N 3.564 123.487 119.800 0.205 0.000 2.345 1123 Q HA 0.357 4.695 4.340 -0.003 0.000 0.268 1123 Q C -1.021 175.140 176.000 0.267 0.000 1.054 1123 Q CA -0.670 55.263 55.803 0.217 0.000 0.835 1123 Q CB 2.229 31.034 28.738 0.110 0.000 1.339 1123 Q HN 0.762 nan 8.270 nan 0.000 0.447 1124 E N 1.967 122.279 120.200 0.186 0.000 2.283 1124 E HA 0.418 4.765 4.350 -0.003 0.000 0.278 1124 E C -1.207 175.336 176.600 -0.095 0.000 1.027 1124 E CA -0.545 55.775 56.400 -0.135 0.000 0.843 1124 E CB 1.066 30.706 29.700 -0.100 0.000 1.062 1124 E HN 0.463 nan 8.360 nan 0.000 0.401 1125 V N 1.744 121.564 119.914 -0.157 0.000 3.049 1125 V HA 0.482 4.600 4.120 -0.003 0.000 0.309 1125 V C -0.601 175.438 176.094 -0.092 0.000 1.148 1125 V CA -1.153 61.097 62.300 -0.082 0.000 0.990 1125 V CB 1.674 33.469 31.823 -0.047 0.000 1.039 1125 V HN 0.458 nan 8.190 nan 0.000 0.430 1126 I N 3.297 123.836 120.570 -0.053 0.000 2.331 1126 I HA 0.362 4.530 4.170 -0.003 0.000 0.292 1126 I C 0.487 176.585 176.117 -0.033 0.000 0.998 1126 I CA -0.508 60.768 61.300 -0.040 0.000 1.267 1126 I CB 1.516 39.503 38.000 -0.022 0.000 1.386 1126 I HN 0.746 nan 8.210 nan 0.000 0.476 1127 V N 6.771 126.664 119.914 -0.036 0.000 2.479 1127 V HA 0.116 4.234 4.120 -0.003 0.000 0.281 1127 V C 1.102 177.183 176.094 -0.022 0.000 1.031 1127 V CA 0.314 62.594 62.300 -0.032 0.000 1.038 1127 V CB 0.467 32.264 31.823 -0.044 0.000 0.981 1127 V HN 0.869 nan 8.190 nan 0.000 0.478 1128 E N 3.840 124.030 120.200 -0.016 0.000 2.230 1128 E HA 0.151 4.499 4.350 -0.003 0.000 0.192 1128 E C 0.159 176.754 176.600 -0.008 0.000 0.987 1128 E CA 0.638 57.032 56.400 -0.010 0.000 0.841 1128 E CB 0.359 30.055 29.700 -0.007 0.000 0.783 1128 E HN 0.878 nan 8.360 nan 0.000 0.481 1129 E N 0.695 120.889 120.200 -0.010 0.000 2.343 1129 E HA 0.112 4.460 4.350 -0.003 0.000 0.278 1129 E C -1.668 174.926 176.600 -0.011 0.000 0.910 1129 E CA -0.778 55.617 56.400 -0.007 0.000 0.757 1129 E CB 1.646 31.345 29.700 -0.003 0.000 1.218 1129 E HN -0.061 nan 8.360 nan 0.000 0.435 1130 D N 2.256 122.650 120.400 -0.010 0.000 3.264 1130 D HA -0.134 4.504 4.640 -0.003 0.000 0.213 1130 D C -0.214 176.081 176.300 -0.008 0.000 1.112 1130 D CA 0.604 54.597 54.000 -0.011 0.000 0.777 1130 D CB 0.145 40.943 40.800 -0.003 0.000 1.156 1130 D HN 0.104 nan 8.370 nan 0.000 0.556 1131 L N 2.042 123.257 121.223 -0.013 0.000 2.492 1131 L HA 0.044 4.382 4.340 -0.003 0.000 0.280 1131 L C 0.949 177.831 176.870 0.019 0.000 1.240 1131 L CA 0.389 55.230 54.840 0.001 0.000 0.831 1131 L CB 0.045 42.106 42.059 0.003 0.000 1.100 1131 L HN 0.407 nan 8.230 nan 0.000 0.505 1132 E N 2.705 122.925 120.200 0.034 0.000 2.289 1132 E HA 0.271 4.619 4.350 -0.003 0.000 0.278 1132 E C -2.258 174.397 176.600 0.092 0.000 1.032 1132 E CA -1.409 55.019 56.400 0.046 0.000 0.854 1132 E CB 0.683 30.407 29.700 0.039 0.000 1.046 1132 E HN 0.320 nan 8.360 nan 0.000 0.409 1133 P HA 0.063 nan 4.420 nan 0.000 0.267 1133 P C -1.165 176.208 177.300 0.121 0.000 1.200 1133 P CA 0.338 63.457 63.100 0.032 0.000 0.772 1133 P CB 0.164 31.859 31.700 -0.007 0.000 0.855 1134 F N -1.407 118.533 119.950 -0.017 0.000 2.588 1134 F HA 0.618 5.143 4.527 -0.003 0.000 0.314 1134 F C 0.003 175.822 175.800 0.031 0.000 1.069 1134 F CA -1.635 56.365 58.000 0.000 0.000 0.931 1134 F CB 1.292 40.283 39.000 -0.014 0.000 1.260 1134 F HN 0.179 nan 8.300 nan 0.000 0.465 1135 E N 1.315 121.611 120.200 0.160 0.000 2.373 1135 E HA 0.633 4.981 4.350 -0.003 0.000 0.263 1135 E C -0.932 175.765 176.600 0.162 0.000 1.073 1135 E CA -0.389 56.066 56.400 0.092 0.000 0.894 1135 E CB 1.136 30.900 29.700 0.106 0.000 1.008 1135 E HN 1.007 nan 8.360 nan 0.000 0.420 1136 A N 2.024 124.915 122.820 0.119 0.000 2.601 1136 A HA 0.448 4.766 4.320 -0.003 0.000 0.291 1136 A C -0.693 176.982 177.584 0.151 0.000 1.075 1136 A CA -0.476 51.668 52.037 0.178 0.000 0.671 1136 A CB 1.044 20.166 19.000 0.202 0.000 1.277 1136 A HN 0.676 nan 8.150 nan 0.000 0.417 1137 S N 0.420 116.195 115.700 0.124 0.000 2.608 1137 S HA 0.284 4.752 4.470 -0.003 0.000 0.261 1137 S C 1.068 175.683 174.600 0.024 0.000 1.314 1137 S CA 0.359 58.610 58.200 0.085 0.000 0.992 1137 S CB 0.949 64.177 63.200 0.048 0.000 0.935 1137 S HN 0.925 nan 8.310 nan 0.000 0.564 1138 K N 0.555 120.946 120.400 -0.015 0.000 2.025 1138 K HA -0.158 4.160 4.320 -0.003 0.000 0.207 1138 K C 2.170 178.605 176.600 -0.275 0.000 1.049 1138 K CA 1.496 57.607 56.287 -0.294 0.000 0.933 1138 K CB -0.395 32.009 32.500 -0.160 0.000 0.714 1138 K HN 0.848 nan 8.250 nan 0.000 0.438 1139 E N -0.222 119.898 120.200 -0.133 0.000 2.070 1139 E HA -0.191 4.157 4.350 -0.003 0.000 0.197 1139 E C 1.563 178.088 176.600 -0.125 0.000 1.004 1139 E CA 1.893 58.225 56.400 -0.112 0.000 0.805 1139 E CB 0.002 29.660 29.700 -0.070 0.000 0.744 1139 E HN 0.290 nan 8.360 nan 0.000 0.451 1140 T N 0.366 114.860 114.554 -0.100 0.000 2.812 1140 T HA -0.046 4.302 4.350 -0.003 0.000 0.264 1140 T C 1.830 176.476 174.700 -0.091 0.000 1.042 1140 T CA 1.203 63.230 62.100 -0.122 0.000 1.140 1140 T CB -0.270 68.581 68.868 -0.029 0.000 0.870 1140 T HN 0.353 nan 8.240 nan 0.000 0.445 1141 A N 1.560 124.382 122.820 0.003 0.000 1.940 1141 A HA -0.154 4.164 4.320 -0.003 0.000 0.219 1141 A C 2.163 179.764 177.584 0.029 0.000 1.176 1141 A CA 1.636 53.736 52.037 0.105 0.000 0.631 1141 A CB -0.514 18.454 19.000 -0.052 0.000 0.814 1141 A HN 0.567 nan 8.150 nan 0.000 0.446 1142 E N -0.568 119.560 120.200 -0.119 0.000 2.106 1142 E HA -0.207 4.141 4.350 -0.003 0.000 0.192 1142 E C 2.207 178.805 176.600 -0.003 0.000 0.984 1142 E CA 1.184 57.535 56.400 -0.081 0.000 0.806 1142 E CB -0.171 29.454 29.700 -0.126 0.000 0.750 1142 E HN 0.739 nan 8.360 nan 0.000 0.458 1143 Q N -0.454 119.298 119.800 -0.081 0.000 2.226 1143 Q HA -0.143 4.195 4.340 -0.003 0.000 0.204 1143 Q C 1.649 177.607 176.000 -0.071 0.000 0.975 1143 Q CA 0.971 56.696 55.803 -0.130 0.000 0.866 1143 Q CB 0.002 28.576 28.738 -0.273 0.000 0.915 1143 Q HN 0.228 nan 8.270 nan 0.000 0.440 1144 F N 0.575 120.563 119.950 0.063 0.000 2.149 1144 F HA -0.073 4.452 4.527 -0.003 0.000 0.294 1144 F C 2.291 178.190 175.800 0.166 0.000 1.095 1144 F CA 1.049 59.137 58.000 0.148 0.000 1.276 1144 F CB -0.215 38.873 39.000 0.146 0.000 1.023 1144 F HN -0.122 nan 8.300 nan 0.000 0.480 1145 K N -0.532 120.045 120.400 0.295 0.000 2.147 1145 K HA -0.215 4.103 4.320 -0.003 0.000 0.205 1145 K C 2.033 178.724 176.600 0.151 0.000 1.049 1145 K CA 1.460 57.848 56.287 0.169 0.000 0.936 1145 K CB -0.481 32.053 32.500 0.057 0.000 0.722 1145 K HN 0.383 nan 8.250 nan 0.000 0.446 1146 H N -0.924 118.169 119.070 0.039 0.000 2.387 1146 H HA -0.154 4.400 4.556 -0.003 0.000 0.299 1146 H C 2.022 177.348 175.328 -0.003 0.000 1.090 1146 H CA 1.818 57.868 56.048 0.003 0.000 1.332 1146 H CB 0.237 29.985 29.762 -0.023 0.000 1.386 1146 H HN 0.267 nan 8.280 nan 0.000 0.516 1147 Q N -0.575 119.342 119.800 0.194 0.000 2.062 1147 Q HA -0.115 4.223 4.340 -0.003 0.000 0.196 1147 Q C 1.690 177.642 176.000 -0.081 0.000 0.967 1147 Q CA 1.696 57.505 55.803 0.010 0.000 0.832 1147 Q CB 0.009 28.671 28.738 -0.126 0.000 0.899 1147 Q HN 0.622 nan 8.270 nan 0.000 0.442 1148 H N -1.079 118.072 119.070 0.135 0.000 2.486 1148 H HA 0.252 4.806 4.556 -0.003 0.000 0.287 1148 H C 1.343 176.701 175.328 0.051 0.000 1.010 1148 H CA 0.841 56.942 56.048 0.088 0.000 1.324 1148 H CB 0.290 30.102 29.762 0.082 0.000 1.446 1148 H HN 0.420 nan 8.280 nan 0.000 0.537 1149 G N 2.124 111.012 108.800 0.147 0.000 2.602 1149 G HA2 -0.420 3.538 3.960 -0.003 0.000 0.310 1149 G HA3 -0.420 3.538 3.960 -0.003 0.000 0.310 1149 G C 0.870 175.803 174.900 0.055 0.000 1.183 1149 G CA 0.835 45.975 45.100 0.067 0.000 0.979 1149 G HN 0.379 nan 8.290 nan 0.000 0.545 1150 D N 0.859 121.285 120.400 0.044 0.000 2.311 1150 D HA 0.027 4.665 4.640 -0.003 0.000 0.212 1150 D C 2.148 178.470 176.300 0.035 0.000 0.972 1150 D CA 1.325 55.345 54.000 0.032 0.000 0.887 1150 D CB -0.039 40.779 40.800 0.029 0.000 0.915 1150 D HN 0.372 nan 8.370 nan 0.000 0.497 1151 K N -0.603 119.834 120.400 0.060 0.000 2.397 1151 K HA 0.266 4.584 4.320 -0.003 0.000 0.202 1151 K C -0.684 175.905 176.600 -0.019 0.000 1.022 1151 K CA -0.147 56.163 56.287 0.037 0.000 1.141 1151 K CB 1.473 34.017 32.500 0.074 0.000 0.857 1151 K HN -0.138 nan 8.250 nan 0.000 0.514 1152 V N -0.077 119.836 119.914 -0.002 0.000 2.969 1152 V HA 0.332 4.450 4.120 -0.003 0.000 0.304 1152 V C -1.880 174.176 176.094 -0.064 0.000 1.192 1152 V CA -0.913 61.350 62.300 -0.061 0.000 0.962 1152 V CB 2.311 34.094 31.823 -0.067 0.000 1.045 1152 V HN -0.011 nan 8.190 nan 0.000 0.428 1153 D N 4.731 125.074 120.400 -0.094 0.000 2.375 1153 D HA 0.611 5.249 4.640 -0.003 0.000 0.247 1153 D C -0.565 175.595 176.300 -0.234 0.000 1.061 1153 D CA 0.120 54.017 54.000 -0.173 0.000 0.834 1153 D CB 2.011 42.818 40.800 0.012 0.000 1.247 1153 D HN 0.703 nan 8.370 nan 0.000 0.489 1154 I N -1.007 119.316 120.570 -0.411 0.000 2.545 1154 I HA 0.704 4.872 4.170 -0.003 0.000 0.292 1154 I C -1.464 174.409 176.117 -0.405 0.000 1.040 1154 I CA -0.764 60.398 61.300 -0.230 0.000 1.068 1154 I CB 1.675 39.651 38.000 -0.039 0.000 1.251 1154 I HN -0.007 nan 8.210 nan 0.000 0.424 1155 F N 2.850 122.870 119.950 0.118 0.000 2.581 1155 F HA 0.417 4.942 4.527 -0.002 0.000 0.311 1155 F C 0.048 175.650 175.800 -0.330 0.000 1.113 1155 F CA -0.612 57.367 58.000 -0.035 0.000 0.935 1155 F CB 2.113 41.075 39.000 -0.063 0.000 1.232 1155 F HN 0.621 nan 8.300 nan 0.000 0.445 1156 E N 3.305 123.221 120.200 -0.473 0.000 2.344 1156 E HA 0.289 4.637 4.350 -0.003 0.000 0.270 1156 E C -0.760 175.635 176.600 -0.342 0.000 1.021 1156 E CA -0.167 55.694 56.400 -0.899 0.000 0.887 1156 E CB 0.632 29.850 29.700 -0.804 0.000 0.997 1156 E HN 0.526 nan 8.360 nan 0.000 0.429 1157 I N 7.831 128.236 120.570 -0.276 0.000 2.281 1157 I HA 0.109 4.277 4.170 -0.003 0.000 0.293 1157 I C -1.734 174.318 176.117 -0.108 0.000 1.085 1157 I CA -1.985 59.238 61.300 -0.128 0.000 1.257 1157 I CB 0.975 38.935 38.000 -0.067 0.000 1.430 1157 I HN 0.493 nan 8.210 nan 0.000 0.489 1158 P HA -0.158 nan 4.420 nan 0.000 0.219 1158 P C 0.856 178.131 177.300 -0.041 0.000 1.146 1158 P CA 1.263 64.323 63.100 -0.068 0.000 0.808 1158 P CB 0.294 31.961 31.700 -0.055 0.000 0.779 1159 E N -1.154 119.026 120.200 -0.033 0.000 2.112 1159 E HA -0.085 4.263 4.350 -0.003 0.000 0.190 1159 E C 1.918 178.514 176.600 -0.008 0.000 0.979 1159 E CA 1.737 58.127 56.400 -0.017 0.000 0.814 1159 E CB -1.191 28.500 29.700 -0.015 0.000 0.762 1159 E HN 0.360 nan 8.360 nan 0.000 0.460 1160 T N -3.913 110.636 114.554 -0.007 0.000 3.040 1160 T HA 0.329 4.677 4.350 -0.003 0.000 0.252 1160 T C 1.773 176.486 174.700 0.021 0.000 1.064 1160 T CA 0.433 62.539 62.100 0.010 0.000 1.110 1160 T CB 0.454 69.333 68.868 0.018 0.000 0.921 1160 T HN 0.294 nan 8.240 nan 0.000 0.480 1161 G N 1.127 109.932 108.800 0.008 0.000 2.213 1161 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.236 1161 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.236 1161 G C -0.089 174.869 174.900 0.097 0.000 0.991 1161 G CA 0.082 45.204 45.100 0.036 0.000 0.629 1161 G HN 0.636 nan 8.290 nan 0.000 0.517 1162 E N -0.615 119.638 120.200 0.089 0.000 2.280 1162 E HA 0.607 4.955 4.350 -0.003 0.000 0.261 1162 E C -0.736 175.959 176.600 0.159 0.000 1.088 1162 E CA -0.667 55.852 56.400 0.199 0.000 0.915 1162 E CB 0.847 30.628 29.700 0.135 0.000 1.141 1162 E HN 0.233 nan 8.360 nan 0.000 0.433 1163 Y N 0.062 120.372 120.300 0.016 0.000 2.487 1163 Y HA 0.177 4.725 4.550 -0.003 0.000 0.337 1163 Y C 0.434 176.310 175.900 -0.040 0.000 1.076 1163 Y CA -1.004 57.099 58.100 0.004 0.000 1.115 1163 Y CB 1.756 40.213 38.460 -0.005 0.000 1.235 1163 Y HN 0.351 nan 8.280 nan 0.000 0.468 1164 S N 0.788 116.536 115.700 0.080 0.000 2.508 1164 S HA 0.718 5.186 4.470 -0.003 0.000 0.284 1164 S C -1.007 173.506 174.600 -0.144 0.000 1.192 1164 S CA -0.729 57.444 58.200 -0.046 0.000 1.070 1164 S CB 0.988 64.187 63.200 -0.001 0.000 1.004 1164 S HN 0.345 nan 8.310 nan 0.000 0.493 1165 V N 3.474 123.096 119.914 -0.487 0.000 2.334 1165 V HA 0.483 4.601 4.120 -0.003 0.000 0.281 1165 V C 0.044 175.820 176.094 -0.529 0.000 1.016 1165 V CA -0.603 61.315 62.300 -0.636 0.000 0.832 1165 V CB 1.069 32.229 31.823 -1.106 0.000 0.999 1165 V HN 0.960 nan 8.190 nan 0.000 0.439 1166 K N 4.948 125.203 120.400 -0.242 0.000 2.425 1166 K HA 0.529 4.847 4.320 -0.003 0.000 0.259 1166 K C -1.210 175.319 176.600 -0.118 0.000 0.978 1166 K CA -0.797 55.420 56.287 -0.117 0.000 0.883 1166 K CB 1.222 33.709 32.500 -0.021 0.000 1.110 1166 K HN 0.525 nan 8.250 nan 0.000 0.436 1167 L N 5.920 127.075 121.223 -0.113 0.000 2.369 1167 L HA 0.228 4.566 4.340 -0.003 0.000 0.279 1167 L C 0.079 176.891 176.870 -0.098 0.000 1.108 1167 L CA 0.021 54.764 54.840 -0.161 0.000 0.852 1167 L CB 0.498 42.444 42.059 -0.187 0.000 1.169 1167 L HN 0.485 nan 8.230 nan 0.000 0.452 1168 L N 2.829 123.999 121.223 -0.089 0.000 2.479 1168 L HA 0.304 4.642 4.340 -0.003 0.000 0.248 1168 L C 0.711 177.557 176.870 -0.041 0.000 1.205 1168 L CA -0.793 54.021 54.840 -0.043 0.000 0.817 1168 L CB 0.117 42.163 42.059 -0.022 0.000 1.162 1168 L HN 0.516 nan 8.230 nan 0.000 0.486 1169 K N 0.123 120.511 120.400 -0.020 0.000 2.401 1169 K HA 0.256 4.574 4.320 -0.003 0.000 0.278 1169 K C 0.730 177.324 176.600 -0.009 0.000 1.018 1169 K CA 0.831 57.109 56.287 -0.015 0.000 0.981 1169 K CB 0.388 32.884 32.500 -0.006 0.000 0.933 1169 K HN 0.799 nan 8.250 nan 0.000 0.477 1170 G N 1.897 110.693 108.800 -0.008 0.000 2.278 1170 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.210 1170 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.210 1170 G C 0.194 175.103 174.900 0.014 0.000 1.000 1170 G CA -0.036 45.067 45.100 0.005 0.000 0.635 1170 G HN 0.958 nan 8.290 nan 0.000 0.495 1171 A N 0.497 123.315 122.820 -0.003 0.000 2.409 1171 A HA 0.628 4.946 4.320 -0.003 0.000 0.246 1171 A C 0.876 178.475 177.584 0.026 0.000 1.099 1171 A CA 1.441 53.486 52.037 0.013 0.000 0.789 1171 A CB 0.038 18.948 19.000 -0.150 0.000 1.053 1171 A HN 1.570 nan 8.150 nan 0.000 0.503 1172 T N -0.017 114.603 114.554 0.109 0.000 2.824 1172 T HA 0.656 5.004 4.350 -0.003 0.000 0.280 1172 T C -0.391 174.296 174.700 -0.022 0.000 0.995 1172 T CA -0.565 61.542 62.100 0.013 0.000 1.009 1172 T CB 0.879 69.743 68.868 -0.006 0.000 0.955 1172 T HN 0.455 nan 8.240 nan 0.000 0.452 1173 L N 2.438 123.560 121.223 -0.168 0.000 2.381 1173 L HA 0.487 4.825 4.340 -0.003 0.000 0.268 1173 L C -1.350 175.334 176.870 -0.311 0.000 0.997 1173 L CA -1.201 53.553 54.840 -0.143 0.000 0.818 1173 L CB 2.300 44.314 42.059 -0.075 0.000 1.310 1173 L HN 0.735 nan 8.230 nan 0.000 0.416 1174 Y N 3.376 123.706 120.300 0.050 0.000 2.369 1174 Y HA 0.435 4.983 4.550 -0.003 0.000 0.337 1174 Y C 0.145 176.055 175.900 0.016 0.000 0.961 1174 Y CA -0.364 57.760 58.100 0.040 0.000 1.186 1174 Y CB 1.223 39.710 38.460 0.045 0.000 1.139 1174 Y HN 0.277 nan 8.280 nan 0.000 0.494 1175 I N 6.930 127.594 120.570 0.155 0.000 2.328 1175 I HA 0.320 4.488 4.170 -0.003 0.000 0.287 1175 I C -2.337 173.832 176.117 0.087 0.000 1.012 1175 I CA -2.267 59.084 61.300 0.085 0.000 1.195 1175 I CB 1.466 39.492 38.000 0.042 0.000 1.350 1175 I HN 0.344 nan 8.210 nan 0.000 0.464 1176 P HA 0.135 nan 4.420 nan 0.000 0.269 1176 P C -1.132 176.187 177.300 0.032 0.000 1.209 1176 P CA -0.119 63.007 63.100 0.043 0.000 0.776 1176 P CB 0.503 32.217 31.700 0.024 0.000 0.876 1177 K N 0.611 121.026 120.400 0.026 0.000 2.499 1177 K HA 0.902 5.220 4.320 -0.003 0.000 0.277 1177 K C -1.727 174.879 176.600 0.010 0.000 1.025 1177 K CA -1.259 55.040 56.287 0.020 0.000 0.900 1177 K CB 1.564 34.080 32.500 0.027 0.000 1.494 1177 K HN 0.286 nan 8.250 nan 0.000 0.442 1178 A N 0.958 123.786 122.820 0.012 0.000 2.413 1178 A HA 0.746 5.064 4.320 -0.003 0.000 0.307 1178 A C -1.673 175.920 177.584 0.015 0.000 1.087 1178 A CA -0.865 51.177 52.037 0.008 0.000 0.750 1178 A CB 1.608 20.617 19.000 0.015 0.000 1.296 1178 A HN 0.475 nan 8.150 nan 0.000 0.423 1179 L N 1.271 122.502 121.223 0.012 0.000 2.410 1179 L HA 0.516 4.854 4.340 -0.003 0.000 0.270 1179 L C -0.489 176.430 176.870 0.081 0.000 0.983 1179 L CA -0.337 54.524 54.840 0.036 0.000 0.822 1179 L CB 1.775 43.827 42.059 -0.012 0.000 1.285 1179 L HN 0.930 nan 8.230 nan 0.000 0.409 1180 R N 3.733 124.302 120.500 0.115 0.000 2.234 1180 R HA 0.389 4.727 4.340 -0.003 0.000 0.324 1180 R C -0.913 175.547 176.300 0.266 0.000 1.054 1180 R CA -0.298 55.892 56.100 0.150 0.000 0.912 1180 R CB 1.122 31.485 30.300 0.105 0.000 1.030 1180 R HN 0.328 nan 8.270 nan 0.000 0.455 1181 F N 1.686 121.693 119.950 0.095 0.000 2.523 1181 F HA 0.263 4.788 4.527 -0.003 0.000 0.329 1181 F C 0.737 176.603 175.800 0.110 0.000 1.061 1181 F CA -1.235 56.859 58.000 0.157 0.000 0.967 1181 F CB 1.577 40.722 39.000 0.242 0.000 1.218 1181 F HN 0.467 nan 8.300 nan 0.000 0.480 1182 D N 1.314 121.331 120.400 -0.638 0.000 2.249 1182 D HA -0.010 4.628 4.640 -0.003 0.000 0.205 1182 D C 0.336 176.281 176.300 -0.591 0.000 0.962 1182 D CA 0.920 54.612 54.000 -0.513 0.000 0.860 1182 D CB 0.207 40.772 40.800 -0.392 0.000 0.955 1182 D HN 0.219 nan 8.370 nan 0.000 0.505 1183 R N 1.438 121.368 120.500 -0.951 0.000 2.205 1183 R HA 0.184 4.522 4.340 -0.003 0.000 0.342 1183 R C 0.393 176.579 176.300 -0.190 0.000 1.058 1183 R CA -0.284 55.533 56.100 -0.471 0.000 0.904 1183 R CB 0.881 30.981 30.300 -0.333 0.000 1.089 1183 R HN 0.024 nan 8.270 nan 0.000 0.471 1184 L N 2.219 123.342 121.223 -0.166 0.000 2.693 1184 L HA 0.261 4.599 4.340 -0.003 0.000 0.235 1184 L C 0.072 176.922 176.870 -0.035 0.000 1.127 1184 L CA 0.244 55.040 54.840 -0.074 0.000 0.914 1184 L CB 0.642 42.658 42.059 -0.072 0.000 1.193 1184 L HN 0.163 nan 8.230 nan 0.000 0.502 1185 V N -0.656 119.219 119.914 -0.066 0.000 2.709 1185 V HA 0.891 5.009 4.120 -0.003 0.000 0.308 1185 V C -0.347 175.683 176.094 -0.106 0.000 1.062 1185 V CA -0.691 61.573 62.300 -0.061 0.000 0.901 1185 V CB 1.804 33.590 31.823 -0.061 0.000 1.003 1185 V HN 0.075 nan 8.190 nan 0.000 0.425 1186 A N 2.395 125.112 122.820 -0.172 0.000 2.566 1186 A HA 0.879 5.197 4.320 -0.003 0.000 0.292 1186 A C 0.025 177.501 177.584 -0.181 0.000 1.112 1186 A CA -0.253 51.599 52.037 -0.309 0.000 0.707 1186 A CB 1.845 20.301 19.000 -0.907 0.000 1.302 1186 A HN 1.231 nan 8.150 nan 0.000 0.409 1187 G N 0.686 109.414 108.800 -0.121 0.000 2.530 1187 G HA2 0.500 4.458 3.960 -0.003 0.000 0.313 1187 G HA3 0.500 4.458 3.960 -0.003 0.000 0.313 1187 G C -0.335 174.535 174.900 -0.050 0.000 0.971 1187 G CA -0.138 44.937 45.100 -0.041 0.000 1.237 1187 G HN 0.668 nan 8.290 nan 0.000 0.446 1188 Q N 1.528 121.283 119.800 -0.075 0.000 2.266 1188 Q HA 0.445 4.783 4.340 -0.003 0.000 0.261 1188 Q C -0.239 175.698 176.000 -0.104 0.000 0.985 1188 Q CA -1.001 54.790 55.803 -0.019 0.000 0.873 1188 Q CB 2.427 31.204 28.738 0.065 0.000 1.306 1188 Q HN 0.470 nan 8.270 nan 0.000 0.447 1189 I N 3.440 123.924 120.570 -0.144 0.000 2.845 1189 I HA -0.064 4.104 4.170 -0.003 0.000 0.296 1189 I C -2.064 173.982 176.117 -0.118 0.000 1.216 1189 I CA -0.826 60.334 61.300 -0.235 0.000 1.438 1189 I CB -0.163 37.544 38.000 -0.488 0.000 1.342 1189 I HN 0.399 nan 8.210 nan 0.000 0.577 1190 P HA -0.053 nan 4.420 nan 0.000 0.263 1190 P C -0.668 176.658 177.300 0.043 0.000 1.175 1190 P CA 0.171 63.265 63.100 -0.010 0.000 0.761 1190 P CB 0.081 31.814 31.700 0.054 0.000 0.794 1191 T N 2.758 117.334 114.554 0.037 0.000 2.817 1191 T HA 0.373 4.721 4.350 -0.003 0.000 0.295 1191 T C 1.363 176.010 174.700 -0.087 0.000 0.958 1191 T CA 1.041 63.141 62.100 0.000 0.000 1.157 1191 T CB -0.138 68.753 68.868 0.040 0.000 0.898 1191 T HN 0.795 nan 8.240 nan 0.000 0.536 1192 G N 2.636 111.393 108.800 -0.070 0.000 2.184 1192 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.206 1192 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.206 1192 G C 0.035 174.885 174.900 -0.083 0.000 0.995 1192 G CA -0.562 44.446 45.100 -0.153 0.000 0.651 1192 G HN 0.766 nan 8.290 nan 0.000 0.511 1193 W N 1.564 122.780 121.300 -0.139 0.000 2.209 1193 W HA 0.537 5.195 4.660 -0.003 0.000 0.344 1193 W C 0.168 176.642 176.519 -0.075 0.000 1.285 1193 W CA 1.092 58.390 57.345 -0.078 0.000 1.267 1193 W CB 0.501 29.971 29.460 0.015 0.000 1.167 1193 W HN 0.159 nan 8.180 nan 0.000 0.574 1194 N N 3.408 121.779 118.700 -0.547 0.000 2.697 1194 N HA 0.181 4.919 4.740 -0.003 0.000 0.271 1194 N C 0.220 175.320 175.510 -0.683 0.000 1.149 1194 N CA 0.212 53.013 53.050 -0.416 0.000 0.939 1194 N CB 1.343 39.635 38.487 -0.325 0.000 1.534 1194 N HN 0.551 nan 8.380 nan 0.000 0.556 1195 A N 3.317 125.834 122.820 -0.505 0.000 2.131 1195 A HA -0.137 4.181 4.320 -0.003 0.000 0.220 1195 A C 1.933 179.370 177.584 -0.244 0.000 1.158 1195 A CA 1.183 53.003 52.037 -0.363 0.000 0.665 1195 A CB -0.143 18.805 19.000 -0.085 0.000 0.795 1195 A HN 0.686 nan 8.150 nan 0.000 0.460 1196 K N -1.010 119.249 120.400 -0.235 0.000 2.097 1196 K HA -0.135 4.183 4.320 -0.003 0.000 0.206 1196 K C 2.272 178.748 176.600 -0.208 0.000 1.049 1196 K CA 1.760 57.938 56.287 -0.181 0.000 0.933 1196 K CB -0.286 32.119 32.500 -0.159 0.000 0.717 1196 K HN 0.641 nan 8.250 nan 0.000 0.442 1197 T N -1.379 112.955 114.554 -0.368 0.000 3.023 1197 T HA -0.094 4.254 4.350 -0.003 0.000 0.266 1197 T C 1.577 176.018 174.700 -0.433 0.000 1.093 1197 T CA 0.679 62.490 62.100 -0.480 0.000 1.129 1197 T CB -0.169 68.207 68.868 -0.821 0.000 0.899 1197 T HN 0.138 nan 8.240 nan 0.000 0.491 1198 Y N 1.360 121.493 120.300 -0.279 0.000 2.561 1198 Y HA 0.332 4.880 4.550 -0.003 0.000 0.291 1198 Y C 2.043 177.981 175.900 0.063 0.000 1.141 1198 Y CA 0.356 58.428 58.100 -0.048 0.000 1.303 1198 Y CB -0.129 38.289 38.460 -0.070 0.000 1.015 1198 Y HN 0.476 nan 8.280 nan 0.000 0.547 1199 G N 0.114 108.979 108.800 0.108 0.000 2.141 1199 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.164 1199 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.164 1199 G C -0.106 174.911 174.900 0.196 0.000 1.009 1199 G CA -0.401 44.792 45.100 0.156 0.000 0.677 1199 G HN 0.201 nan 8.290 nan 0.000 0.508 1200 I N 2.718 123.297 120.570 0.015 0.000 2.371 1200 I HA 0.339 4.507 4.170 -0.003 0.000 0.290 1200 I C 1.378 177.457 176.117 -0.063 0.000 1.028 1200 I CA -0.199 61.019 61.300 -0.137 0.000 1.345 1200 I CB 1.407 39.149 38.000 -0.431 0.000 1.407 1200 I HN 0.389 nan 8.210 nan 0.000 0.501 1201 S N 3.880 119.583 115.700 0.005 0.000 2.552 1201 S HA -0.018 4.450 4.470 -0.003 0.000 0.289 1201 S C 0.860 175.425 174.600 -0.059 0.000 1.304 1201 S CA -0.594 57.605 58.200 -0.002 0.000 1.063 1201 S CB 0.861 64.082 63.200 0.035 0.000 0.848 1201 S HN 0.583 nan 8.310 nan 0.000 0.499 1202 D N 2.194 122.564 120.400 -0.050 0.000 2.190 1202 D HA -0.134 4.504 4.640 -0.003 0.000 0.200 1202 D C 1.105 177.361 176.300 -0.073 0.000 0.992 1202 D CA 1.591 55.553 54.000 -0.062 0.000 0.854 1202 D CB -0.287 40.486 40.800 -0.045 0.000 0.936 1202 D HN 0.720 nan 8.370 nan 0.000 0.462 1203 D N 0.016 120.378 120.400 -0.064 0.000 2.117 1203 D HA -0.081 4.557 4.640 -0.003 0.000 0.197 1203 D C 2.208 178.429 176.300 -0.132 0.000 0.987 1203 D CA 0.458 54.414 54.000 -0.074 0.000 0.829 1203 D CB -0.174 40.598 40.800 -0.047 0.000 0.961 1203 D HN 0.283 nan 8.370 nan 0.000 0.460 1204 I N 0.622 121.093 120.570 -0.165 0.000 2.252 1204 I HA -0.205 3.963 4.170 -0.003 0.000 0.245 1204 I C 2.058 178.013 176.117 -0.270 0.000 1.102 1204 I CA 0.480 61.609 61.300 -0.285 0.000 1.385 1204 I CB -0.163 37.666 38.000 -0.285 0.000 1.064 1204 I HN 0.024 nan 8.210 nan 0.000 0.414 1205 I N 0.493 120.948 120.570 -0.192 0.000 2.118 1205 I HA -0.351 3.817 4.170 -0.003 0.000 0.241 1205 I C 2.815 178.850 176.117 -0.137 0.000 1.070 1205 I CA 1.904 63.112 61.300 -0.153 0.000 1.327 1205 I CB -1.408 36.527 38.000 -0.109 0.000 1.034 1205 I HN 0.313 nan 8.210 nan 0.000 0.405 1206 S N 0.709 116.339 115.700 -0.118 0.000 2.349 1206 S HA -0.316 4.152 4.470 -0.003 0.000 0.216 1206 S C 2.090 176.625 174.600 -0.108 0.000 1.033 1206 S CA 2.130 60.274 58.200 -0.092 0.000 1.021 1206 S CB -0.442 62.715 63.200 -0.071 0.000 0.968 1206 S HN 0.485 nan 8.310 nan 0.000 0.426 1207 Q N 0.553 120.271 119.800 -0.137 0.000 2.217 1207 Q HA -0.036 4.302 4.340 -0.003 0.000 0.209 1207 Q C 0.428 176.335 176.000 -0.154 0.000 0.988 1207 Q CA 1.461 57.181 55.803 -0.138 0.000 0.878 1207 Q CB -0.366 28.248 28.738 -0.206 0.000 0.909 1207 Q HN 0.443 nan 8.270 nan 0.000 0.424 1208 V N 1.047 120.819 119.914 -0.237 0.000 2.713 1208 V HA 0.144 4.262 4.120 -0.003 0.000 0.307 1208 V C -0.259 175.751 176.094 -0.139 0.000 1.052 1208 V CA -0.842 61.312 62.300 -0.243 0.000 0.967 1208 V CB 1.652 33.205 31.823 -0.450 0.000 1.019 1208 V HN 0.319 nan 8.190 nan 0.000 0.459 1209 D N 4.134 124.482 120.400 -0.087 0.000 2.389 1209 D HA 0.152 4.790 4.640 -0.003 0.000 0.247 1209 D C -1.626 174.572 176.300 -0.170 0.000 1.128 1209 D CA -1.492 52.458 54.000 -0.083 0.000 0.884 1209 D CB 2.032 42.816 40.800 -0.027 0.000 1.194 1209 D HN 0.189 nan 8.370 nan 0.000 0.441 1210 P HA -0.208 nan 4.420 nan 0.000 0.220 1210 P C 1.706 178.547 177.300 -0.764 0.000 1.155 1210 P CA 1.000 63.860 63.100 -0.401 0.000 0.880 1210 P CB 0.125 31.649 31.700 -0.292 0.000 0.790 1211 I N -1.281 118.978 120.570 -0.519 0.000 2.335 1211 I HA -0.241 3.927 4.170 -0.003 0.000 0.251 1211 I C 1.450 177.392 176.117 -0.291 0.000 1.129 1211 I CA 1.712 62.766 61.300 -0.411 0.000 1.402 1211 I CB -0.343 37.659 38.000 0.004 0.000 1.069 1211 I HN 0.010 nan 8.210 nan 0.000 0.424 1212 T N 1.561 115.985 114.554 -0.217 0.000 2.833 1212 T HA -0.127 4.221 4.350 -0.003 0.000 0.269 1212 T C 1.868 176.479 174.700 -0.149 0.000 1.054 1212 T CA 1.135 63.150 62.100 -0.141 0.000 1.135 1212 T CB -0.200 68.630 68.868 -0.063 0.000 0.869 1212 T HN 0.326 nan 8.240 nan 0.000 0.466 1213 L N -0.198 120.895 121.223 -0.218 0.000 2.056 1213 L HA -0.034 4.304 4.340 -0.003 0.000 0.207 1213 L C 2.371 179.345 176.870 0.174 0.000 1.078 1213 L CA 1.217 56.020 54.840 -0.063 0.000 0.749 1213 L CB -0.669 41.387 42.059 -0.004 0.000 0.901 1213 L HN 0.200 nan 8.230 nan 0.000 0.433 1214 F N 0.033 120.013 119.950 0.050 0.000 2.046 1214 F HA -0.209 4.316 4.527 -0.003 0.000 0.297 1214 F C 2.584 178.419 175.800 0.058 0.000 1.123 1214 F CA 0.950 58.964 58.000 0.023 0.000 1.199 1214 F CB -1.622 37.362 39.000 -0.027 0.000 0.972 1214 F HN -0.214 nan 8.300 nan 0.000 0.474 1215 V N 0.529 120.538 119.914 0.160 0.000 2.252 1215 V HA -0.318 3.800 4.120 -0.003 0.000 0.249 1215 V C 2.643 178.801 176.094 0.107 0.000 1.056 1215 V CA 1.762 64.075 62.300 0.022 0.000 1.022 1215 V CB -0.937 30.697 31.823 -0.316 0.000 0.641 1215 V HN 0.322 nan 8.190 nan 0.000 0.445 1216 L N -0.468 120.809 121.223 0.089 0.000 2.012 1216 L HA -0.201 4.137 4.340 -0.003 0.000 0.210 1216 L C 2.486 179.475 176.870 0.197 0.000 1.073 1216 L CA 1.513 56.438 54.840 0.141 0.000 0.748 1216 L CB -0.577 41.465 42.059 -0.028 0.000 0.891 1216 L HN 0.230 nan 8.230 nan 0.000 0.431 1217 V N -0.426 119.579 119.914 0.153 0.000 2.407 1217 V HA -0.250 3.868 4.120 -0.003 0.000 0.248 1217 V C 2.504 178.674 176.094 0.126 0.000 1.055 1217 V CA 2.027 64.388 62.300 0.101 0.000 1.049 1217 V CB -0.387 31.445 31.823 0.015 0.000 0.662 1217 V HN 0.533 nan 8.190 nan 0.000 0.455 1218 S N -0.279 115.527 115.700 0.178 0.000 2.387 1218 S HA -0.108 4.360 4.470 -0.003 0.000 0.226 1218 S C 1.974 176.700 174.600 0.210 0.000 1.026 1218 S CA 1.132 59.444 58.200 0.186 0.000 0.972 1218 S CB -0.332 62.996 63.200 0.214 0.000 0.814 1218 S HN 0.355 nan 8.310 nan 0.000 0.477 1219 V N 2.033 122.094 119.914 0.245 0.000 2.332 1219 V HA -0.159 3.958 4.120 -0.003 0.000 0.248 1219 V C 2.495 178.842 176.094 0.422 0.000 1.055 1219 V CA 1.481 63.965 62.300 0.306 0.000 1.038 1219 V CB -0.891 31.143 31.823 0.351 0.000 0.651 1219 V HN 0.379 nan 8.190 nan 0.000 0.450 1220 V N -0.329 119.817 119.914 0.386 0.000 2.237 1220 V HA -0.277 3.841 4.120 -0.003 0.000 0.245 1220 V C 2.448 178.754 176.094 0.353 0.000 1.046 1220 V CA 2.218 64.751 62.300 0.389 0.000 1.007 1220 V CB -0.609 31.456 31.823 0.402 0.000 0.638 1220 V HN 0.568 nan 8.190 nan 0.000 0.445 1221 E N -0.376 119.992 120.200 0.280 0.000 2.209 1221 E HA -0.209 4.139 4.350 -0.003 0.000 0.196 1221 E C 2.200 178.895 176.600 0.158 0.000 0.993 1221 E CA 1.196 57.741 56.400 0.241 0.000 0.819 1221 E CB -0.172 29.646 29.700 0.196 0.000 0.745 1221 E HN 0.607 nan 8.360 nan 0.000 0.477 1222 A N 0.245 123.143 122.820 0.131 0.000 1.898 1222 A HA -0.093 4.224 4.320 -0.003 0.000 0.214 1222 A C 1.758 179.332 177.584 -0.017 0.000 1.183 1222 A CA 0.621 52.659 52.037 0.003 0.000 0.622 1222 A CB -0.536 18.448 19.000 -0.026 0.000 0.824 1222 A HN 0.155 nan 8.150 nan 0.000 0.444 1223 F N 0.792 120.796 119.950 0.090 0.000 2.126 1223 F HA -0.182 4.343 4.527 -0.003 0.000 0.299 1223 F C 2.214 178.069 175.800 0.092 0.000 1.096 1223 F CA 1.275 59.319 58.000 0.075 0.000 1.255 1223 F CB -0.241 38.796 39.000 0.062 0.000 0.997 1223 F HN 0.140 nan 8.300 nan 0.000 0.479 1224 I N -0.150 120.611 120.570 0.319 0.000 2.264 1224 I HA -0.295 3.873 4.170 -0.003 0.000 0.248 1224 I C 2.513 178.803 176.117 0.289 0.000 1.111 1224 I CA 1.541 63.029 61.300 0.314 0.000 1.382 1224 I CB -1.742 36.487 38.000 0.381 0.000 1.060 1224 I HN 0.099 nan 8.210 nan 0.000 0.418 1225 A N -0.010 122.902 122.820 0.152 0.000 2.168 1225 A HA -0.096 4.222 4.320 -0.003 0.000 0.215 1225 A C 2.361 179.943 177.584 -0.004 0.000 1.152 1225 A CA 1.522 53.597 52.037 0.062 0.000 0.716 1225 A CB -0.348 18.480 19.000 -0.287 0.000 0.794 1225 A HN 0.439 nan 8.150 nan 0.000 0.465 1226 S N -1.786 113.941 115.700 0.045 0.000 2.539 1226 S HA 0.382 4.850 4.470 -0.003 0.000 0.221 1226 S C 1.260 175.898 174.600 0.065 0.000 0.987 1226 S CA 1.146 59.330 58.200 -0.027 0.000 0.929 1226 S CB -0.300 62.901 63.200 0.002 0.000 0.832 1226 S HN 1.778 nan 8.310 nan 0.000 0.492 1227 G N 1.699 110.672 108.800 0.287 0.000 2.153 1227 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.252 1227 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.252 1227 G C -0.034 174.979 174.900 0.189 0.000 0.994 1227 G CA 0.322 45.637 45.100 0.359 0.000 0.698 1227 G HN 0.530 nan 8.290 nan 0.000 0.521 1228 I N 1.457 122.138 120.570 0.185 0.000 2.291 1228 I HA 0.274 4.442 4.170 -0.003 0.000 0.292 1228 I C 1.342 177.470 176.117 0.017 0.000 1.064 1228 I CA 0.488 61.872 61.300 0.140 0.000 1.269 1228 I CB 0.689 38.881 38.000 0.321 0.000 1.418 1228 I HN 0.092 nan 8.210 nan 0.000 0.485 1229 T N 3.337 117.810 114.554 -0.134 0.000 3.031 1229 T HA -0.022 4.326 4.350 -0.003 0.000 0.254 1229 T C 0.366 174.779 174.700 -0.478 0.000 1.060 1229 T CA 0.707 62.547 62.100 -0.434 0.000 1.135 1229 T CB 0.103 68.666 68.868 -0.509 0.000 0.896 1229 T HN 0.590 nan 8.240 nan 0.000 0.472 1230 D N 0.363 120.581 120.400 -0.303 0.000 2.471 1230 D HA 0.369 5.007 4.640 -0.003 0.000 0.245 1230 D C -2.028 174.114 176.300 -0.262 0.000 1.116 1230 D CA -2.429 51.391 54.000 -0.299 0.000 0.853 1230 D CB 1.997 42.664 40.800 -0.221 0.000 1.123 1230 D HN -0.080 nan 8.370 nan 0.000 0.540 1231 P HA -0.187 nan 4.420 nan 0.000 0.217 1231 P C 0.832 178.044 177.300 -0.146 0.000 1.151 1231 P CA 1.042 63.903 63.100 -0.398 0.000 0.849 1231 P CB -0.021 31.426 31.700 -0.423 0.000 0.787 1232 Y N -0.128 120.024 120.300 -0.247 0.000 2.716 1232 Y HA -0.107 4.441 4.550 -0.003 0.000 0.302 1232 Y C 2.246 178.062 175.900 -0.139 0.000 1.160 1232 Y CA -0.043 57.968 58.100 -0.149 0.000 1.362 1232 Y CB -1.370 37.106 38.460 0.027 0.000 0.988 1232 Y HN 0.212 nan 8.280 nan 0.000 0.546 1233 E N -0.224 119.989 120.200 0.023 0.000 2.208 1233 E HA -0.165 4.183 4.350 -0.003 0.000 0.193 1233 E C 1.908 178.603 176.600 0.157 0.000 0.988 1233 E CA 0.437 56.887 56.400 0.083 0.000 0.828 1233 E CB -0.050 29.710 29.700 0.100 0.000 0.763 1233 E HN 0.417 nan 8.360 nan 0.000 0.478 1234 M N -0.217 119.375 119.600 -0.014 0.000 2.149 1234 M HA -0.200 4.278 4.480 -0.003 0.000 0.261 1234 M C 1.129 177.483 176.300 0.090 0.000 1.064 1234 M CA 1.368 56.668 55.300 0.001 0.000 1.102 1234 M CB -0.091 32.359 32.600 -0.250 0.000 1.369 1234 M HN 0.176 nan 8.290 nan 0.000 0.408 1235 Y N -0.252 120.138 120.300 0.150 0.000 2.529 1235 Y HA 0.032 4.579 4.550 -0.003 0.000 0.290 1235 Y C 1.883 177.768 175.900 -0.026 0.000 1.177 1235 Y CA 0.348 58.493 58.100 0.075 0.000 1.305 1235 Y CB -0.888 37.572 38.460 -0.000 0.000 1.047 1235 Y HN 0.166 nan 8.280 nan 0.000 0.522 1236 K N -1.051 119.386 120.400 0.062 0.000 2.167 1236 K HA -0.082 4.236 4.320 -0.003 0.000 0.203 1236 K C 0.832 177.299 176.600 -0.223 0.000 1.052 1236 K CA 1.303 57.487 56.287 -0.172 0.000 0.956 1236 K CB -0.053 32.221 32.500 -0.378 0.000 0.735 1236 K HN 0.361 nan 8.250 nan 0.000 0.451 1237 Y N -0.629 119.732 120.300 0.101 0.000 2.524 1237 Y HA 0.120 4.668 4.550 -0.003 0.000 0.270 1237 Y C 0.773 176.760 175.900 0.146 0.000 1.094 1237 Y CA -0.359 57.805 58.100 0.106 0.000 1.276 1237 Y CB 0.817 39.330 38.460 0.089 0.000 1.130 1237 Y HN -0.287 nan 8.280 nan 0.000 0.536 1238 V N -0.877 119.245 119.914 0.346 0.000 3.074 1238 V HA 0.247 4.365 4.120 -0.003 0.000 0.314 1238 V C -1.168 175.167 176.094 0.401 0.000 1.117 1238 V CA -1.332 61.171 62.300 0.338 0.000 1.014 1238 V CB 2.062 34.074 31.823 0.313 0.000 1.057 1238 V HN 0.078 nan 8.190 nan 0.000 0.438 1239 H N 0.347 119.578 119.070 0.268 0.000 2.525 1239 H HA 0.355 4.909 4.556 -0.003 0.000 0.339 1239 H C 0.814 176.290 175.328 0.247 0.000 1.109 1239 H CA 0.083 56.276 56.048 0.243 0.000 1.352 1239 H CB 1.597 31.452 29.762 0.155 0.000 1.461 1239 H HN 0.316 nan 8.280 nan 0.000 0.533 1240 V N 2.789 122.391 119.914 -0.520 0.000 2.357 1240 V HA -0.355 3.763 4.120 -0.003 0.000 0.257 1240 V C 2.127 178.164 176.094 -0.094 0.000 1.082 1240 V CA 2.450 64.500 62.300 -0.415 0.000 1.078 1240 V CB -1.099 30.407 31.823 -0.529 0.000 0.663 1240 V HN 0.903 nan 8.190 nan 0.000 0.455 1241 S N -0.874 114.817 115.700 -0.014 0.000 2.603 1241 S HA 0.012 4.480 4.470 -0.003 0.000 0.220 1241 S C 1.190 175.895 174.600 0.175 0.000 0.967 1241 S CA 0.645 58.934 58.200 0.149 0.000 0.920 1241 S CB -0.214 63.151 63.200 0.276 0.000 0.773 1241 S HN 0.783 nan 8.310 nan 0.000 0.529 1242 E N 0.546 120.876 120.200 0.217 0.000 2.624 1242 E HA 0.271 4.619 4.350 -0.003 0.000 0.210 1242 E C -1.094 175.624 176.600 0.196 0.000 0.997 1242 E CA -0.130 56.387 56.400 0.195 0.000 0.999 1242 E CB 1.307 31.131 29.700 0.206 0.000 1.040 1242 E HN 0.266 nan 8.360 nan 0.000 0.469 1243 V N 1.097 121.146 119.914 0.226 0.000 2.357 1243 V HA 0.543 4.661 4.120 -0.003 0.000 0.284 1243 V C 0.415 176.621 176.094 0.186 0.000 1.018 1243 V CA -0.650 61.782 62.300 0.220 0.000 0.841 1243 V CB 1.479 33.471 31.823 0.281 0.000 0.991 1243 V HN 0.208 nan 8.190 nan 0.000 0.437 1244 G N 2.864 111.755 108.800 0.152 0.000 2.568 1244 G HA2 0.508 4.466 3.960 -0.003 0.000 0.313 1244 G HA3 0.508 4.466 3.960 -0.003 0.000 0.313 1244 G C -1.019 173.961 174.900 0.133 0.000 1.227 1244 G CA -0.585 44.591 45.100 0.127 0.000 0.979 1244 G HN 0.493 nan 8.290 nan 0.000 0.486 1245 N N -0.431 118.341 118.700 0.120 0.000 2.540 1245 N HA 0.241 4.979 4.740 -0.003 0.000 0.275 1245 N C -0.497 175.079 175.510 0.110 0.000 1.053 1245 N CA -0.445 52.684 53.050 0.132 0.000 0.876 1245 N CB 1.506 40.086 38.487 0.154 0.000 1.284 1245 N HN 0.285 nan 8.380 nan 0.000 0.518 1246 C N 1.313 120.673 119.300 0.100 0.000 2.760 1246 C HA 0.229 4.687 4.460 -0.003 0.000 0.293 1246 C C 1.083 176.121 174.990 0.080 0.000 1.383 1246 C CA -0.565 58.498 59.018 0.075 0.000 1.771 1246 C CB -1.850 25.919 27.740 0.049 0.000 2.353 1246 C HN 0.683 nan 8.230 nan 0.000 0.578 1247 S N 0.744 116.528 115.700 0.140 0.000 2.572 1247 S HA 0.590 5.058 4.470 -0.003 0.000 0.279 1247 S C 0.131 174.772 174.600 0.068 0.000 1.341 1247 S CA 0.255 58.557 58.200 0.170 0.000 1.043 1247 S CB 1.308 64.757 63.200 0.415 0.000 0.887 1247 S HN 0.641 nan 8.310 nan 0.000 0.516 1248 G N -0.135 108.545 108.800 -0.200 0.000 2.694 1248 G HA2 0.630 4.588 3.960 -0.003 0.000 0.290 1248 G HA3 0.630 4.588 3.960 -0.003 0.000 0.290 1248 G C -1.309 173.174 174.900 -0.694 0.000 1.386 1248 G CA -0.749 44.168 45.100 -0.305 0.000 0.872 1248 G HN 0.905 nan 8.290 nan 0.000 0.475 1249 S N -1.951 113.512 115.700 -0.396 0.000 2.599 1249 S HA 0.661 5.129 4.470 -0.003 0.000 0.287 1249 S C 1.161 175.686 174.600 -0.126 0.000 1.105 1249 S CA 0.334 58.343 58.200 -0.319 0.000 0.899 1249 S CB 1.508 64.651 63.200 -0.095 0.000 1.100 1249 S HN 1.145 nan 8.310 nan 0.000 0.482 1250 G N 1.983 110.735 108.800 -0.079 0.000 2.456 1250 G HA2 0.057 4.015 3.960 -0.003 0.000 0.213 1250 G HA3 0.057 4.015 3.960 -0.003 0.000 0.213 1250 G C 0.838 175.724 174.900 -0.023 0.000 1.215 1250 G CA 0.996 46.073 45.100 -0.038 0.000 0.805 1250 G HN 0.621 nan 8.290 nan 0.000 0.537 1251 M N -0.918 118.680 119.600 -0.003 0.000 3.046 1251 M HA 0.409 4.887 4.480 -0.003 0.000 0.215 1251 M C 1.232 177.566 176.300 0.058 0.000 1.815 1251 M CA 0.554 55.856 55.300 0.005 0.000 1.316 1251 M CB -0.131 32.448 32.600 -0.035 0.000 1.187 1251 M HN 0.285 nan 8.290 nan 0.000 0.595 1252 G N 0.670 109.521 108.800 0.085 0.000 3.016 1252 G HA2 0.111 4.069 3.960 -0.003 0.000 0.299 1252 G HA3 0.111 4.069 3.960 -0.003 0.000 0.299 1252 G C 0.739 175.722 174.900 0.137 0.000 0.290 1252 G CA 0.450 45.639 45.100 0.149 0.000 1.161 1252 G HN 1.354 nan 8.290 nan 0.000 0.551 1253 G N -0.046 108.817 108.800 0.105 0.000 2.163 1253 G HA2 -0.083 3.875 3.960 -0.003 0.000 0.213 1253 G HA3 -0.083 3.875 3.960 -0.003 0.000 0.213 1253 G C 1.273 176.200 174.900 0.045 0.000 0.991 1253 G CA 0.721 45.865 45.100 0.074 0.000 0.653 1253 G HN 1.863 nan 8.290 nan 0.000 0.518 1254 V N 0.552 120.488 119.914 0.036 0.000 2.546 1254 V HA -0.175 3.943 4.120 -0.003 0.000 0.254 1254 V C 2.638 178.727 176.094 -0.008 0.000 1.076 1254 V CA 2.787 65.085 62.300 -0.003 0.000 1.087 1254 V CB -0.326 31.484 31.823 -0.023 0.000 0.674 1254 V HN 0.489 nan 8.190 nan 0.000 0.470 1255 S N -0.617 115.089 115.700 0.010 0.000 2.388 1255 S HA 0.062 4.529 4.470 -0.003 0.000 0.223 1255 S C 2.163 176.770 174.600 0.011 0.000 1.034 1255 S CA 1.044 59.250 58.200 0.010 0.000 0.963 1255 S CB -0.147 63.063 63.200 0.018 0.000 0.827 1255 S HN 0.623 nan 8.310 nan 0.000 0.481 1256 A N 1.301 124.127 122.820 0.010 0.000 1.969 1256 A HA 0.120 4.438 4.320 -0.003 0.000 0.218 1256 A C 2.037 179.638 177.584 0.029 0.000 1.169 1256 A CA 0.768 52.807 52.037 0.004 0.000 0.635 1256 A CB -0.609 18.381 19.000 -0.016 0.000 0.810 1256 A HN 0.503 nan 8.150 nan 0.000 0.445 1257 L N -0.752 120.506 121.223 0.058 0.000 2.042 1257 L HA -0.212 4.126 4.340 -0.003 0.000 0.210 1257 L C 2.887 179.882 176.870 0.208 0.000 1.076 1257 L CA 1.847 56.778 54.840 0.151 0.000 0.749 1257 L CB -0.472 41.639 42.059 0.086 0.000 0.893 1257 L HN 0.510 nan 8.230 nan 0.000 0.432 1258 R N 0.350 120.903 120.500 0.088 0.000 2.075 1258 R HA -0.121 4.217 4.340 -0.003 0.000 0.232 1258 R C 2.086 178.436 176.300 0.084 0.000 1.126 1258 R CA 1.513 57.657 56.100 0.073 0.000 0.963 1258 R CB -0.492 29.812 30.300 0.006 0.000 0.858 1258 R HN 0.369 nan 8.270 nan 0.000 0.435 1259 G N 1.034 109.864 108.800 0.049 0.000 2.470 1259 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.220 1259 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.220 1259 G C 1.426 176.334 174.900 0.014 0.000 1.121 1259 G CA 0.736 45.851 45.100 0.025 0.000 0.766 1259 G HN 0.400 nan 8.290 nan 0.000 0.553 1260 M N -1.560 118.053 119.600 0.021 0.000 2.394 1260 M HA 0.329 4.807 4.480 -0.003 0.000 0.266 1260 M C 1.622 177.828 176.300 -0.157 0.000 1.098 1260 M CA 1.049 56.299 55.300 -0.083 0.000 1.149 1260 M CB 0.209 32.735 32.600 -0.123 0.000 1.369 1260 M HN 0.145 nan 8.290 nan 0.000 0.450 1261 F N -0.204 119.728 119.950 -0.029 0.000 2.678 1261 F HA 0.230 4.755 4.527 -0.003 0.000 0.291 1261 F C 2.240 178.030 175.800 -0.018 0.000 1.123 1261 F CA 0.579 58.553 58.000 -0.043 0.000 1.395 1261 F CB 0.349 39.307 39.000 -0.069 0.000 1.121 1261 F HN 0.068 nan 8.300 nan 0.000 0.592 1262 K N -0.454 120.055 120.400 0.182 0.000 2.485 1262 K HA 0.064 4.382 4.320 -0.003 0.000 0.200 1262 K C 1.083 177.762 176.600 0.132 0.000 1.344 1262 K CA 0.478 56.862 56.287 0.162 0.000 0.948 1262 K CB 0.109 32.664 32.500 0.092 0.000 1.454 1262 K HN -0.191 nan 8.250 nan 0.000 0.502 1263 D N 0.911 121.355 120.400 0.074 0.000 2.269 1263 D HA -0.054 4.584 4.640 -0.003 0.000 0.208 1263 D C 1.750 178.063 176.300 0.021 0.000 0.963 1263 D CA 0.583 54.603 54.000 0.034 0.000 0.864 1263 D CB 0.176 40.986 40.800 0.017 0.000 0.936 1263 D HN 0.107 nan 8.370 nan 0.000 0.505 1264 R N -0.046 120.475 120.500 0.034 0.000 2.073 1264 R HA -0.026 4.312 4.340 -0.003 0.000 0.229 1264 R C 2.028 178.362 176.300 0.057 0.000 1.120 1264 R CA 0.282 56.392 56.100 0.017 0.000 0.967 1264 R CB -0.900 29.393 30.300 -0.012 0.000 0.862 1264 R HN 0.234 nan 8.270 nan 0.000 0.436 1265 F N 2.289 122.204 119.950 -0.057 0.000 2.307 1265 F HA -0.141 4.384 4.527 -0.003 0.000 0.301 1265 F C 1.311 177.075 175.800 -0.060 0.000 1.076 1265 F CA 1.415 59.379 58.000 -0.060 0.000 1.383 1265 F CB 0.101 39.067 39.000 -0.056 0.000 1.055 1265 F HN -0.108 nan 8.300 nan 0.000 0.526 1266 K N -0.392 119.913 120.400 -0.158 0.000 2.374 1266 K HA 0.003 4.321 4.320 -0.003 0.000 0.196 1266 K C 0.403 176.912 176.600 -0.151 0.000 1.023 1266 K CA 0.629 56.779 56.287 -0.228 0.000 1.103 1266 K CB 0.172 32.596 32.500 -0.127 0.000 0.848 1266 K HN 0.007 nan 8.250 nan 0.000 0.528 1267 D N 2.149 122.483 120.400 -0.111 0.000 3.012 1267 D HA -0.163 4.474 4.640 -0.003 0.000 0.222 1267 D C -0.780 175.483 176.300 -0.061 0.000 1.167 1267 D CA 0.849 54.797 54.000 -0.086 0.000 0.854 1267 D CB -1.010 39.726 40.800 -0.107 0.000 1.107 1267 D HN 0.355 nan 8.370 nan 0.000 0.421 1268 E N 0.269 120.439 120.200 -0.050 0.000 2.398 1268 E HA 0.266 4.614 4.350 -0.003 0.000 0.263 1268 E C -2.181 174.403 176.600 -0.028 0.000 1.046 1268 E CA -1.269 55.111 56.400 -0.034 0.000 0.908 1268 E CB 0.424 30.109 29.700 -0.024 0.000 0.963 1268 E HN 0.164 nan 8.360 nan 0.000 0.431 1269 P HA 0.025 nan 4.420 nan 0.000 0.266 1269 P C -1.154 176.134 177.300 -0.019 0.000 1.215 1269 P CA 0.235 63.322 63.100 -0.021 0.000 0.763 1269 P CB 0.533 32.222 31.700 -0.017 0.000 0.806 1270 V N 4.017 123.918 119.914 -0.021 0.000 2.971 1270 V HA 0.185 4.303 4.120 -0.003 0.000 0.309 1270 V C 0.114 176.194 176.094 -0.023 0.000 1.130 1270 V CA -0.867 61.421 62.300 -0.021 0.000 0.964 1270 V CB 2.176 33.987 31.823 -0.020 0.000 1.029 1270 V HN 0.484 nan 8.190 nan 0.000 0.427 1271 Q N 1.835 121.623 119.800 -0.021 0.000 2.539 1271 Q HA 0.012 4.350 4.340 -0.003 0.000 0.268 1271 Q C 0.298 176.283 176.000 -0.025 0.000 1.109 1271 Q CA 0.424 56.215 55.803 -0.019 0.000 0.968 1271 Q CB 0.534 29.263 28.738 -0.015 0.000 1.309 1271 Q HN 0.698 nan 8.270 nan 0.000 0.497 1272 N N 0.387 119.076 118.700 -0.018 0.000 2.463 1272 N HA -0.071 4.667 4.740 -0.003 0.000 0.181 1272 N C -0.697 174.797 175.510 -0.026 0.000 1.078 1272 N CA 0.770 53.807 53.050 -0.022 0.000 0.902 1272 N CB 0.376 38.855 38.487 -0.014 0.000 0.970 1272 N HN 0.517 nan 8.380 nan 0.000 0.451 1273 D N -0.197 120.190 120.400 -0.021 0.000 2.957 1273 D HA 0.100 4.738 4.640 -0.003 0.000 0.352 1273 D C 0.696 176.964 176.300 -0.053 0.000 1.352 1273 D CA -0.348 53.633 54.000 -0.032 0.000 0.831 1273 D CB -0.721 40.080 40.800 0.002 0.000 1.147 1273 D HN 0.263 nan 8.370 nan 0.000 0.467 1274 I N -2.176 118.354 120.570 -0.067 0.000 2.756 1274 I HA -0.088 4.080 4.170 -0.003 0.000 0.262 1274 I C 1.933 177.955 176.117 -0.159 0.000 1.225 1274 I CA 0.184 61.437 61.300 -0.079 0.000 1.472 1274 I CB -0.241 37.723 38.000 -0.060 0.000 1.094 1274 I HN 0.079 nan 8.210 nan 0.000 0.454 1275 L N 1.017 122.115 121.223 -0.208 0.000 2.012 1275 L HA -0.230 4.108 4.340 -0.003 0.000 0.210 1275 L C 2.658 179.067 176.870 -0.767 0.000 1.073 1275 L CA 1.915 56.522 54.840 -0.389 0.000 0.748 1275 L CB -0.772 41.131 42.059 -0.261 0.000 0.891 1275 L HN 0.288 nan 8.230 nan 0.000 0.431 1276 Q N -0.504 119.017 119.800 -0.466 0.000 2.028 1276 Q HA -0.275 4.063 4.340 -0.003 0.000 0.213 1276 Q C 1.806 177.617 176.000 -0.315 0.000 1.017 1276 Q CA 2.335 57.928 55.803 -0.350 0.000 0.875 1276 Q CB -0.311 28.395 28.738 -0.053 0.000 0.962 1276 Q HN 0.567 nan 8.270 nan 0.000 0.413 1277 E N -0.221 119.901 120.200 -0.130 0.000 2.482 1277 E HA -0.061 4.287 4.350 -0.003 0.000 0.196 1277 E C 1.867 178.457 176.600 -0.017 0.000 1.047 1277 E CA 0.872 57.284 56.400 0.020 0.000 0.869 1277 E CB 0.107 29.845 29.700 0.064 0.000 0.836 1277 E HN 0.371 nan 8.360 nan 0.000 0.520 1278 S N 0.044 115.655 115.700 -0.148 0.000 2.425 1278 S HA -0.016 4.452 4.470 -0.003 0.000 0.225 1278 S C 0.811 175.470 174.600 0.098 0.000 1.024 1278 S CA -0.264 57.910 58.200 -0.043 0.000 0.951 1278 S CB -0.384 62.778 63.200 -0.064 0.000 0.796 1278 S HN -0.045 nan 8.310 nan 0.000 0.498 1279 F N 2.146 122.141 119.950 0.075 0.000 2.607 1279 F HA 0.248 4.773 4.527 -0.003 0.000 0.374 1279 F C 1.542 177.397 175.800 0.092 0.000 1.104 1279 F CA -1.489 56.551 58.000 0.067 0.000 1.296 1279 F CB -0.303 38.723 39.000 0.045 0.000 1.085 1279 F HN 0.050 nan 8.300 nan 0.000 0.584 1280 I N 2.310 123.053 120.570 0.288 0.000 2.567 1280 I HA -0.301 3.867 4.170 -0.003 0.000 0.257 1280 I C 1.855 178.118 176.117 0.243 0.000 1.184 1280 I CA 1.255 62.687 61.300 0.220 0.000 1.451 1280 I CB -0.159 37.915 38.000 0.124 0.000 1.089 1280 I HN 0.626 nan 8.210 nan 0.000 0.441 1281 N N -0.546 118.279 118.700 0.208 0.000 2.203 1281 N HA -0.046 4.692 4.740 -0.003 0.000 0.207 1281 N C 1.317 176.921 175.510 0.156 0.000 1.130 1281 N CA 0.847 53.998 53.050 0.167 0.000 0.861 1281 N CB -0.147 38.388 38.487 0.079 0.000 1.005 1281 N HN 0.247 nan 8.380 nan 0.000 0.507 1282 T N -2.250 112.420 114.554 0.193 0.000 3.100 1282 T HA 0.148 4.496 4.350 -0.003 0.000 0.253 1282 T C 1.649 176.436 174.700 0.145 0.000 1.118 1282 T CA 0.031 62.188 62.100 0.095 0.000 1.058 1282 T CB -0.046 68.877 68.868 0.091 0.000 0.953 1282 T HN -0.120 nan 8.240 nan 0.000 0.515 1283 M N 1.927 121.652 119.600 0.208 0.000 2.077 1283 M HA 0.083 4.561 4.480 -0.003 0.000 0.261 1283 M C 2.656 179.048 176.300 0.154 0.000 1.070 1283 M CA 1.521 56.914 55.300 0.155 0.000 1.125 1283 M CB -0.552 32.003 32.600 -0.075 0.000 1.339 1283 M HN 0.218 nan 8.290 nan 0.000 0.409 1284 S N 0.382 116.190 115.700 0.181 0.000 2.419 1284 S HA -0.061 4.407 4.470 -0.003 0.000 0.233 1284 S C 2.108 176.790 174.600 0.138 0.000 1.016 1284 S CA 1.091 59.399 58.200 0.180 0.000 0.974 1284 S CB -0.648 62.669 63.200 0.195 0.000 0.786 1284 S HN 0.543 nan 8.310 nan 0.000 0.492 1285 A N 0.910 123.772 122.820 0.070 0.000 1.873 1285 A HA -0.058 4.260 4.320 -0.003 0.000 0.215 1285 A C 1.841 179.414 177.584 -0.018 0.000 1.186 1285 A CA 1.010 53.024 52.037 -0.038 0.000 0.616 1285 A CB -1.048 17.841 19.000 -0.185 0.000 0.823 1285 A HN 0.673 nan 8.150 nan 0.000 0.442 1286 W N -0.235 121.125 121.300 0.099 0.000 2.363 1286 W HA -0.104 4.554 4.660 -0.003 0.000 0.296 1286 W C 2.216 178.817 176.519 0.137 0.000 1.212 1286 W CA 0.908 58.314 57.345 0.102 0.000 1.260 1286 W CB -0.319 29.184 29.460 0.071 0.000 1.131 1286 W HN 0.132 nan 8.180 nan 0.000 0.530 1287 V N 0.542 120.666 119.914 0.351 0.000 2.287 1287 V HA -0.374 3.744 4.120 -0.003 0.000 0.248 1287 V C 1.852 178.107 176.094 0.269 0.000 1.053 1287 V CA 2.392 64.872 62.300 0.301 0.000 1.027 1287 V CB -1.095 30.883 31.823 0.257 0.000 0.646 1287 V HN 0.242 nan 8.190 nan 0.000 0.447 1288 N N -0.679 118.154 118.700 0.222 0.000 2.331 1288 N HA -0.074 4.664 4.740 -0.003 0.000 0.180 1288 N C 1.674 177.300 175.510 0.193 0.000 1.019 1288 N CA 1.216 54.385 53.050 0.198 0.000 0.881 1288 N CB -0.120 38.459 38.487 0.154 0.000 0.972 1288 N HN 0.450 nan 8.380 nan 0.000 0.435 1289 M N -0.976 118.744 119.600 0.201 0.000 2.476 1289 M HA 0.106 4.584 4.480 -0.003 0.000 0.262 1289 M C 1.086 177.537 176.300 0.251 0.000 1.111 1289 M CA 0.642 56.061 55.300 0.199 0.000 1.127 1289 M CB 0.372 33.065 32.600 0.155 0.000 1.376 1289 M HN 0.134 nan 8.290 nan 0.000 0.465 1290 L N -1.270 120.129 121.223 0.293 0.000 2.537 1290 L HA 0.151 4.489 4.340 -0.003 0.000 0.224 1290 L C 1.682 178.626 176.870 0.124 0.000 1.065 1290 L CA 0.229 55.226 54.840 0.263 0.000 0.860 1290 L CB 0.333 42.647 42.059 0.425 0.000 1.086 1290 L HN 0.257 nan 8.230 nan 0.000 0.482 1291 L N -1.629 119.682 121.223 0.145 0.000 2.664 1291 L HA 0.192 4.530 4.340 -0.003 0.000 0.198 1291 L C 1.934 178.867 176.870 0.105 0.000 1.057 1291 L CA 0.248 55.112 54.840 0.040 0.000 0.871 1291 L CB 0.354 42.458 42.059 0.074 0.000 1.364 1291 L HN 0.013 nan 8.230 nan 0.000 0.483 1292 I N -1.379 119.310 120.570 0.197 0.000 2.810 1292 I HA 0.006 4.174 4.170 -0.003 0.000 0.262 1292 I C 1.379 177.718 176.117 0.370 0.000 1.131 1292 I CA 0.444 61.894 61.300 0.249 0.000 1.453 1292 I CB 0.390 38.533 38.000 0.239 0.000 1.161 1292 I HN 0.262 nan 8.210 nan 0.000 0.444 1293 S N 1.273 117.147 115.700 0.290 0.000 3.586 1293 S HA -0.146 4.322 4.470 -0.003 0.000 0.309 1293 S C 0.656 175.383 174.600 0.212 0.000 1.195 1293 S CA 0.520 58.849 58.200 0.216 0.000 0.895 1293 S CB -1.297 61.983 63.200 0.133 0.000 0.983 1293 S HN 0.684 nan 8.310 nan 0.000 0.563 1294 S N 0.104 115.965 115.700 0.269 0.000 2.617 1294 S HA 0.689 5.157 4.470 -0.003 0.000 0.269 1294 S C 0.603 175.276 174.600 0.122 0.000 1.292 1294 S CA 0.229 58.577 58.200 0.248 0.000 1.010 1294 S CB 1.829 65.206 63.200 0.296 0.000 0.944 1294 S HN 0.455 nan 8.310 nan 0.000 0.536 1295 S N 1.515 117.244 115.700 0.048 0.000 2.651 1295 S HA 0.395 4.863 4.470 -0.003 0.000 0.246 1295 S C 0.881 175.469 174.600 -0.021 0.000 1.039 1295 S CA -0.434 57.725 58.200 -0.067 0.000 1.013 1295 S CB -0.024 63.004 63.200 -0.286 0.000 0.861 1295 S HN 0.967 nan 8.310 nan 0.000 0.485 1296 G N 2.653 111.489 108.800 0.060 0.000 2.489 1296 G HA2 0.463 4.421 3.960 -0.003 0.000 0.271 1296 G HA3 0.463 4.421 3.960 -0.003 0.000 0.271 1296 G C -2.848 172.083 174.900 0.053 0.000 1.427 1296 G CA -1.280 43.867 45.100 0.079 0.000 1.057 1296 G HN 0.178 nan 8.290 nan 0.000 0.532 1297 P HA 0.329 nan 4.420 nan 0.000 0.274 1297 P C -0.641 176.689 177.300 0.050 0.000 1.237 1297 P CA -0.211 62.914 63.100 0.042 0.000 0.793 1297 P CB 1.228 32.954 31.700 0.043 0.000 0.977 1298 I N 0.596 121.187 120.570 0.035 0.000 2.796 1298 I HA 0.244 4.412 4.170 -0.003 0.000 0.277 1298 I C -1.050 175.086 176.117 0.030 0.000 1.331 1298 I CA -0.522 60.804 61.300 0.043 0.000 0.983 1298 I CB 0.127 38.151 38.000 0.040 0.000 1.410 1298 I HN 0.068 nan 8.210 nan 0.000 0.561 1299 K N 4.098 124.517 120.400 0.032 0.000 2.263 1299 K HA 0.578 4.896 4.320 -0.003 0.000 0.272 1299 K C -0.512 176.103 176.600 0.026 0.000 1.033 1299 K CA -0.443 55.855 56.287 0.019 0.000 0.884 1299 K CB 1.214 33.721 32.500 0.012 0.000 1.107 1299 K HN 0.341 nan 8.250 nan 0.000 0.460 1300 T N 4.890 119.456 114.554 0.019 0.000 2.770 1300 T HA 0.329 4.677 4.350 -0.003 0.000 0.283 1300 T C -2.395 172.304 174.700 -0.002 0.000 0.988 1300 T CA -1.665 60.450 62.100 0.025 0.000 0.957 1300 T CB 1.106 70.002 68.868 0.046 0.000 0.930 1300 T HN 0.301 nan 8.240 nan 0.000 0.443 1301 P HA 0.470 nan 4.420 nan 0.000 0.292 1301 P C -1.072 176.199 177.300 -0.049 0.000 1.287 1301 P CA -0.624 62.455 63.100 -0.035 0.000 0.800 1301 P CB 0.914 32.588 31.700 -0.043 0.000 0.945 1302 V N 2.943 122.835 119.914 -0.037 0.000 2.311 1302 V HA 0.498 4.616 4.120 -0.003 0.000 0.275 1302 V C 1.163 177.239 176.094 -0.029 0.000 1.022 1302 V CA 0.015 62.293 62.300 -0.036 0.000 0.830 1302 V CB 0.932 32.742 31.823 -0.022 0.000 1.012 1302 V HN 0.847 nan 8.190 nan 0.000 0.452 1303 G N 2.654 111.434 108.800 -0.033 0.000 3.596 1303 G HA2 0.547 4.505 3.960 -0.003 0.000 0.274 1303 G HA3 0.547 4.505 3.960 -0.003 0.000 0.274 1303 G C 0.726 175.636 174.900 0.018 0.000 1.007 1303 G CA 0.848 45.937 45.100 -0.018 0.000 0.825 1303 G HN 1.193 nan 8.290 nan 0.000 0.508 1304 A N -0.375 122.459 122.820 0.023 0.000 5.391 1304 A HA -0.345 3.973 4.320 -0.003 0.000 0.315 1304 A C 1.929 179.570 177.584 0.095 0.000 1.874 1304 A CA 1.443 53.520 52.037 0.066 0.000 0.714 1304 A CB -1.603 17.488 19.000 0.152 0.000 1.335 1304 A HN 0.902 nan 8.150 nan 0.000 0.382 1305 C N 0.450 119.876 119.300 0.209 0.000 2.503 1305 C HA 0.440 4.898 4.460 -0.003 0.000 0.285 1305 C C 1.969 177.073 174.990 0.191 0.000 1.473 1305 C CA 1.021 60.201 59.018 0.270 0.000 1.708 1305 C CB -1.896 26.128 27.740 0.473 0.000 1.638 1305 C HN 1.690 nan 8.230 nan 0.000 0.585 1306 A N -0.130 122.727 122.820 0.062 0.000 2.630 1306 A HA 0.215 4.533 4.320 -0.003 0.000 0.287 1306 A C 1.708 179.264 177.584 -0.048 0.000 1.040 1306 A CA 0.688 52.705 52.037 -0.033 0.000 0.971 1306 A CB -0.577 18.350 19.000 -0.121 0.000 1.241 1306 A HN 0.447 nan 8.150 nan 0.000 0.558 1307 T N -2.336 112.195 114.554 -0.039 0.000 2.897 1307 T HA -0.124 4.224 4.350 -0.003 0.000 0.271 1307 T C 1.829 176.484 174.700 -0.076 0.000 1.084 1307 T CA 2.441 64.500 62.100 -0.068 0.000 1.123 1307 T CB -0.258 68.550 68.868 -0.101 0.000 0.865 1307 T HN 0.206 nan 8.240 nan 0.000 0.496 1308 S N -0.529 115.132 115.700 -0.066 0.000 2.414 1308 S HA 0.073 4.541 4.470 -0.003 0.000 0.227 1308 S C 1.909 176.484 174.600 -0.041 0.000 1.022 1308 S CA 0.786 58.954 58.200 -0.053 0.000 0.958 1308 S CB -0.311 62.864 63.200 -0.042 0.000 0.797 1308 S HN 0.451 nan 8.310 nan 0.000 0.493 1309 V N 1.563 121.444 119.914 -0.055 0.000 2.379 1309 V HA -0.063 4.055 4.120 -0.003 0.000 0.243 1309 V C 2.374 178.428 176.094 -0.066 0.000 1.035 1309 V CA 1.849 64.110 62.300 -0.066 0.000 1.035 1309 V CB -0.600 31.164 31.823 -0.098 0.000 0.673 1309 V HN 0.607 nan 8.190 nan 0.000 0.457 1310 E N 0.224 120.380 120.200 -0.074 0.000 2.187 1310 E HA -0.303 4.045 4.350 -0.003 0.000 0.199 1310 E C 2.265 178.837 176.600 -0.046 0.000 1.004 1310 E CA 1.815 58.177 56.400 -0.065 0.000 0.813 1310 E CB -0.281 29.380 29.700 -0.064 0.000 0.736 1310 E HN 0.523 nan 8.360 nan 0.000 0.468 1311 S N -0.619 115.056 115.700 -0.042 0.000 2.368 1311 S HA -0.117 4.351 4.470 -0.003 0.000 0.225 1311 S C 2.006 176.598 174.600 -0.012 0.000 1.030 1311 S CA 1.260 59.446 58.200 -0.025 0.000 0.999 1311 S CB -0.237 62.950 63.200 -0.023 0.000 0.844 1311 S HN 0.279 nan 8.310 nan 0.000 0.459 1312 V N 2.410 122.314 119.914 -0.018 0.000 2.343 1312 V HA -0.140 3.978 4.120 -0.003 0.000 0.247 1312 V C 2.523 178.607 176.094 -0.017 0.000 1.051 1312 V CA 2.167 64.459 62.300 -0.014 0.000 1.036 1312 V CB -0.843 30.967 31.823 -0.022 0.000 0.654 1312 V HN 0.593 nan 8.190 nan 0.000 0.451 1313 D N 0.545 120.928 120.400 -0.029 0.000 2.108 1313 D HA -0.208 4.430 4.640 -0.003 0.000 0.190 1313 D C 2.024 178.312 176.300 -0.020 0.000 0.995 1313 D CA 2.027 56.009 54.000 -0.030 0.000 0.834 1313 D CB -0.273 40.500 40.800 -0.044 0.000 0.967 1313 D HN 0.417 nan 8.370 nan 0.000 0.446 1314 I N 0.684 121.243 120.570 -0.019 0.000 2.194 1314 I HA -0.239 3.929 4.170 -0.003 0.000 0.246 1314 I C 2.573 178.691 176.117 0.002 0.000 1.093 1314 I CA 1.480 62.775 61.300 -0.010 0.000 1.355 1314 I CB -0.539 37.456 38.000 -0.009 0.000 1.046 1314 I HN 0.130 nan 8.210 nan 0.000 0.413 1315 G N 0.306 109.110 108.800 0.007 0.000 2.453 1315 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.215 1315 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.215 1315 G C 1.707 176.616 174.900 0.015 0.000 1.201 1315 G CA 0.900 46.010 45.100 0.018 0.000 0.784 1315 G HN 0.231 nan 8.290 nan 0.000 0.545 1316 V N 0.898 120.816 119.914 0.008 0.000 2.278 1316 V HA -0.202 3.916 4.120 -0.003 0.000 0.251 1316 V C 2.918 179.015 176.094 0.005 0.000 1.062 1316 V CA 2.296 64.600 62.300 0.007 0.000 1.038 1316 V CB -0.359 31.465 31.823 0.001 0.000 0.646 1316 V HN 0.299 nan 8.190 nan 0.000 0.447 1317 E N -0.091 120.109 120.200 -0.001 0.000 2.072 1317 E HA -0.144 4.204 4.350 -0.003 0.000 0.191 1317 E C 2.341 178.942 176.600 0.002 0.000 0.985 1317 E CA 1.716 58.113 56.400 -0.005 0.000 0.801 1317 E CB -0.717 28.975 29.700 -0.013 0.000 0.750 1317 E HN 0.630 nan 8.360 nan 0.000 0.452 1318 T N 1.348 115.908 114.554 0.010 0.000 2.881 1318 T HA -0.027 4.321 4.350 -0.003 0.000 0.270 1318 T C 1.991 176.707 174.700 0.026 0.000 1.068 1318 T CA 0.708 62.820 62.100 0.019 0.000 1.131 1318 T CB -0.041 68.843 68.868 0.027 0.000 0.871 1318 T HN 0.136 nan 8.240 nan 0.000 0.479 1319 I N 0.234 120.820 120.570 0.027 0.000 2.584 1319 I HA 0.070 4.238 4.170 -0.003 0.000 0.255 1319 I C 1.829 177.960 176.117 0.024 0.000 1.145 1319 I CA 0.839 62.159 61.300 0.033 0.000 1.462 1319 I CB -0.189 37.832 38.000 0.035 0.000 1.102 1319 I HN 0.179 nan 8.210 nan 0.000 0.433 1320 L N 0.607 121.837 121.223 0.013 0.000 2.599 1320 L HA -0.021 4.317 4.340 -0.003 0.000 0.230 1320 L C 2.051 178.919 176.870 -0.003 0.000 1.141 1320 L CA 0.614 55.455 54.840 0.003 0.000 0.877 1320 L CB -0.221 41.834 42.059 -0.007 0.000 1.009 1320 L HN 0.315 nan 8.230 nan 0.000 0.447 1321 S N -2.311 113.391 115.700 0.003 0.000 2.559 1321 S HA 0.249 4.717 4.470 -0.003 0.000 0.226 1321 S C 1.440 176.045 174.600 0.008 0.000 1.000 1321 S CA 0.326 58.525 58.200 -0.000 0.000 0.948 1321 S CB 0.991 64.191 63.200 -0.002 0.000 0.870 1321 S HN 0.417 nan 8.310 nan 0.000 0.497 1322 G N 2.021 110.832 108.800 0.019 0.000 2.176 1322 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.253 1322 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.253 1322 G C 0.831 175.755 174.900 0.040 0.000 0.979 1322 G CA 0.483 45.601 45.100 0.029 0.000 0.641 1322 G HN 0.524 nan 8.290 nan 0.000 0.530 1323 K N 0.242 120.663 120.400 0.036 0.000 2.211 1323 K HA 0.413 4.731 4.320 -0.003 0.000 0.203 1323 K C 1.191 177.829 176.600 0.064 0.000 1.050 1323 K CA 1.235 57.548 56.287 0.043 0.000 0.945 1323 K CB 0.076 32.594 32.500 0.030 0.000 0.732 1323 K HN 0.874 nan 8.250 nan 0.000 0.451 1324 A N 0.135 122.995 122.820 0.068 0.000 2.572 1324 A HA 0.495 4.813 4.320 -0.003 0.000 0.295 1324 A C -0.176 177.459 177.584 0.085 0.000 1.072 1324 A CA -0.755 51.335 52.037 0.089 0.000 0.691 1324 A CB 1.524 20.575 19.000 0.086 0.000 1.291 1324 A HN 0.038 nan 8.150 nan 0.000 0.404 1325 R N -0.088 120.474 120.500 0.104 0.000 2.316 1325 R HA 0.382 4.720 4.340 -0.003 0.000 0.201 1325 R C -0.482 175.869 176.300 0.086 0.000 0.888 1325 R CA 0.622 56.778 56.100 0.093 0.000 1.041 1325 R CB 0.434 30.799 30.300 0.109 0.000 1.115 1325 R HN 0.687 nan 8.270 nan 0.000 0.559 1326 I N 0.867 121.498 120.570 0.102 0.000 2.533 1326 I HA 0.301 4.469 4.170 -0.003 0.000 0.290 1326 I C -0.434 175.743 176.117 0.099 0.000 1.056 1326 I CA -1.061 60.293 61.300 0.091 0.000 1.057 1326 I CB 2.259 40.325 38.000 0.110 0.000 1.240 1326 I HN 0.068 nan 8.210 nan 0.000 0.423 1327 C N 5.612 124.956 119.300 0.075 0.000 3.173 1327 C HA 0.650 5.108 4.460 -0.003 0.000 0.310 1327 C C -0.808 174.217 174.990 0.058 0.000 1.306 1327 C CA -0.827 58.242 59.018 0.084 0.000 1.426 1327 C CB 1.246 29.037 27.740 0.085 0.000 1.800 1327 C HN 0.707 nan 8.230 nan 0.000 0.470 1328 I N 2.884 123.503 120.570 0.081 0.000 2.365 1328 I HA 0.563 4.731 4.170 -0.003 0.000 0.291 1328 I C -0.151 176.016 176.117 0.084 0.000 1.004 1328 I CA -0.221 61.119 61.300 0.067 0.000 1.311 1328 I CB 1.325 39.398 38.000 0.121 0.000 1.401 1328 I HN 0.547 nan 8.210 nan 0.000 0.491 1329 V N 4.656 124.612 119.914 0.070 0.000 2.914 1329 V HA 0.976 5.094 4.120 -0.003 0.000 0.314 1329 V C 0.313 176.465 176.094 0.097 0.000 1.084 1329 V CA -0.231 62.112 62.300 0.071 0.000 0.963 1329 V CB 1.912 33.759 31.823 0.040 0.000 1.025 1329 V HN 1.083 nan 8.190 nan 0.000 0.432 1330 G N 1.680 110.535 108.800 0.092 0.000 2.343 1330 G HA2 0.566 4.524 3.960 -0.003 0.000 0.289 1330 G HA3 0.566 4.524 3.960 -0.003 0.000 0.289 1330 G C -0.689 174.237 174.900 0.043 0.000 1.295 1330 G CA 0.090 45.256 45.100 0.109 0.000 0.869 1330 G HN 1.269 nan 8.290 nan 0.000 0.522 1331 G N -1.475 107.352 108.800 0.045 0.000 2.660 1331 G HA2 0.986 4.944 3.960 -0.003 0.000 0.294 1331 G HA3 0.986 4.944 3.960 -0.003 0.000 0.294 1331 G C -1.404 173.494 174.900 -0.003 0.000 1.369 1331 G CA -0.116 44.888 45.100 -0.160 0.000 0.912 1331 G HN 1.807 nan 8.290 nan 0.000 0.479 1332 Y N -1.355 118.970 120.300 0.040 0.000 2.604 1332 Y HA 0.808 5.356 4.550 -0.003 0.000 0.331 1332 Y C -1.341 174.605 175.900 0.075 0.000 1.158 1332 Y CA -1.469 56.677 58.100 0.077 0.000 1.056 1332 Y CB 1.989 40.546 38.460 0.161 0.000 1.330 1332 Y HN 0.515 nan 8.280 nan 0.000 0.457 1333 D N 0.394 120.963 120.400 0.281 0.000 2.683 1333 D HA 0.277 4.915 4.640 -0.003 0.000 0.246 1333 D C -1.969 174.503 176.300 0.287 0.000 1.238 1333 D CA -0.315 53.814 54.000 0.215 0.000 0.759 1333 D CB 2.989 43.837 40.800 0.079 0.000 1.349 1333 D HN 0.673 nan 8.370 nan 0.000 0.426 1334 D N -0.338 120.224 120.400 0.271 0.000 2.414 1334 D HA 0.548 5.186 4.640 -0.003 0.000 0.241 1334 D C -1.302 175.186 176.300 0.312 0.000 1.008 1334 D CA -0.493 53.724 54.000 0.362 0.000 1.001 1334 D CB 1.459 42.444 40.800 0.309 0.000 1.277 1334 D HN 0.169 nan 8.370 nan 0.000 0.538 1335 F N 1.820 121.897 119.950 0.211 0.000 2.427 1335 F HA 0.446 4.971 4.527 -0.003 0.000 0.348 1335 F C -0.713 175.058 175.800 -0.048 0.000 1.125 1335 F CA -0.308 57.731 58.000 0.064 0.000 0.989 1335 F CB 0.908 39.925 39.000 0.028 0.000 1.165 1335 F HN 0.057 nan 8.300 nan 0.000 0.442 1336 Q N 3.838 123.229 119.800 -0.682 0.000 2.605 1336 Q HA 0.152 4.490 4.340 -0.003 0.000 0.296 1336 Q C 0.664 176.100 176.000 -0.939 0.000 1.056 1336 Q CA -0.585 54.861 55.803 -0.596 0.000 0.778 1336 Q CB 1.739 30.341 28.738 -0.226 0.000 1.497 1336 Q HN 0.877 nan 8.270 nan 0.000 0.443 1337 E N 0.829 120.531 120.200 -0.830 0.000 2.058 1337 E HA -0.219 4.129 4.350 -0.003 0.000 0.194 1337 E C 0.974 177.120 176.600 -0.757 0.000 0.997 1337 E CA 1.829 57.493 56.400 -1.226 0.000 0.801 1337 E CB 0.349 29.524 29.700 -0.876 0.000 0.746 1337 E HN 0.551 nan 8.360 nan 0.000 0.450 1338 E N -0.106 119.809 120.200 -0.474 0.000 2.152 1338 E HA -0.089 4.259 4.350 -0.003 0.000 0.192 1338 E C 2.201 178.633 176.600 -0.280 0.000 0.983 1338 E CA 0.907 57.121 56.400 -0.309 0.000 0.818 1338 E CB -0.499 29.051 29.700 -0.250 0.000 0.758 1338 E HN 0.382 nan 8.360 nan 0.000 0.467 1339 G N 1.807 110.403 108.800 -0.342 0.000 2.480 1339 G HA2 -0.356 3.602 3.960 -0.003 0.000 0.216 1339 G HA3 -0.356 3.602 3.960 -0.003 0.000 0.216 1339 G C 1.779 176.565 174.900 -0.191 0.000 1.200 1339 G CA 1.376 46.291 45.100 -0.309 0.000 0.782 1339 G HN 0.393 nan 8.290 nan 0.000 0.554 1340 S N -0.518 115.048 115.700 -0.223 0.000 2.382 1340 S HA -0.101 4.367 4.470 -0.003 0.000 0.228 1340 S C 2.051 176.822 174.600 0.286 0.000 1.027 1340 S CA 1.380 59.644 58.200 0.106 0.000 0.991 1340 S CB -0.386 62.871 63.200 0.096 0.000 0.823 1340 S HN 0.324 nan 8.310 nan 0.000 0.469 1341 F N 2.137 122.002 119.950 -0.142 0.000 2.113 1341 F HA 0.047 4.572 4.527 -0.003 0.000 0.297 1341 F C 2.251 177.944 175.800 -0.177 0.000 1.103 1341 F CA 1.850 59.608 58.000 -0.403 0.000 1.248 1341 F CB -0.531 38.084 39.000 -0.642 0.000 0.999 1341 F HN 0.186 nan 8.300 nan 0.000 0.475 1342 E N -0.507 119.562 120.200 -0.218 0.000 2.152 1342 E HA -0.120 4.228 4.350 -0.003 0.000 0.192 1342 E C 2.040 178.518 176.600 -0.204 0.000 0.983 1342 E CA 0.990 57.206 56.400 -0.306 0.000 0.818 1342 E CB -0.480 29.024 29.700 -0.327 0.000 0.758 1342 E HN 0.365 nan 8.360 nan 0.000 0.467 1343 F N -0.284 119.635 119.950 -0.051 0.000 2.186 1343 F HA 0.039 4.564 4.527 -0.003 0.000 0.299 1343 F C 2.285 178.085 175.800 -0.001 0.000 1.090 1343 F CA 1.326 59.336 58.000 0.016 0.000 1.307 1343 F CB -0.915 38.116 39.000 0.052 0.000 1.019 1343 F HN 0.141 nan 8.300 nan 0.000 0.489 1344 G N -0.484 108.453 108.800 0.229 0.000 2.432 1344 G HA2 -0.253 3.704 3.960 -0.003 0.000 0.219 1344 G HA3 -0.253 3.704 3.960 -0.003 0.000 0.219 1344 G C 1.613 176.532 174.900 0.032 0.000 1.135 1344 G CA 0.792 46.002 45.100 0.184 0.000 0.767 1344 G HN 0.240 nan 8.290 nan 0.000 0.550 1345 N N 0.236 118.859 118.700 -0.128 0.000 2.396 1345 N HA 0.045 4.783 4.740 -0.003 0.000 0.180 1345 N C 2.049 177.528 175.510 -0.053 0.000 1.028 1345 N CA 0.530 53.471 53.050 -0.181 0.000 0.893 1345 N CB -0.156 38.127 38.487 -0.340 0.000 0.967 1345 N HN 0.316 nan 8.380 nan 0.000 0.440 1346 M N 0.087 119.703 119.600 0.027 0.000 2.561 1346 M HA 0.092 4.570 4.480 -0.003 0.000 0.238 1346 M C 0.465 176.833 176.300 0.114 0.000 1.131 1346 M CA 0.248 55.611 55.300 0.105 0.000 1.046 1346 M CB 0.197 32.934 32.600 0.227 0.000 1.532 1346 M HN -0.058 nan 8.290 nan 0.000 0.497 1347 K N 0.248 120.692 120.400 0.074 0.000 3.160 1347 K HA -0.226 4.092 4.320 -0.003 0.000 0.280 1347 K C 0.358 176.992 176.600 0.057 0.000 1.154 1347 K CA 0.696 57.011 56.287 0.045 0.000 0.822 1347 K CB -1.286 31.233 32.500 0.031 0.000 1.239 1347 K HN 0.496 nan 8.250 nan 0.000 0.489 1348 A N -0.068 122.817 122.820 0.109 0.000 1.935 1348 A HA 0.022 4.340 4.320 -0.003 0.000 0.214 1348 A C 0.982 178.476 177.584 -0.150 0.000 1.178 1348 A CA 1.528 53.650 52.037 0.142 0.000 0.640 1348 A CB -0.174 19.094 19.000 0.446 0.000 0.825 1348 A HN 0.675 nan 8.150 nan 0.000 0.447 1349 T N -0.538 113.790 114.554 -0.378 0.000 2.874 1349 T HA 0.469 4.817 4.350 -0.003 0.000 0.281 1349 T C 0.335 174.847 174.700 -0.313 0.000 0.994 1349 T CA 0.046 61.754 62.100 -0.653 0.000 1.015 1349 T CB 1.101 69.599 68.868 -0.617 0.000 1.028 1349 T HN 0.556 nan 8.240 nan 0.000 0.523 1350 S N 1.825 117.358 115.700 -0.279 0.000 2.549 1350 S HA 0.145 4.613 4.470 -0.003 0.000 0.279 1350 S C 0.178 174.658 174.600 -0.200 0.000 1.321 1350 S CA -0.949 57.141 58.200 -0.184 0.000 1.054 1350 S CB 0.086 63.201 63.200 -0.142 0.000 0.899 1350 S HN 0.777 nan 8.310 nan 0.000 0.497 1351 N N 2.476 121.071 118.700 -0.176 0.000 2.401 1351 N HA 0.102 4.840 4.740 -0.003 0.000 0.255 1351 N C 0.771 176.138 175.510 -0.239 0.000 1.110 1351 N CA 0.004 52.937 53.050 -0.194 0.000 0.949 1351 N CB 0.698 39.105 38.487 -0.133 0.000 1.110 1351 N HN 0.730 nan 8.380 nan 0.000 0.490 1352 T N 4.213 118.571 114.554 -0.327 0.000 2.867 1352 T HA -0.020 4.328 4.350 -0.003 0.000 0.268 1352 T C 1.949 176.286 174.700 -0.604 0.000 1.057 1352 T CA 0.619 62.410 62.100 -0.516 0.000 1.136 1352 T CB 0.122 68.663 68.868 -0.545 0.000 0.874 1352 T HN 0.463 nan 8.240 nan 0.000 0.466 1353 L N 0.728 121.761 121.223 -0.318 0.000 2.083 1353 L HA -0.109 4.229 4.340 -0.003 0.000 0.209 1353 L C 2.695 179.540 176.870 -0.043 0.000 1.083 1353 L CA 1.572 56.337 54.840 -0.125 0.000 0.752 1353 L CB -0.544 41.486 42.059 -0.048 0.000 0.899 1353 L HN 0.375 nan 8.230 nan 0.000 0.433 1354 E N -0.494 119.672 120.200 -0.057 0.000 2.107 1354 E HA -0.175 4.173 4.350 -0.003 0.000 0.191 1354 E C 2.107 178.786 176.600 0.131 0.000 0.982 1354 E CA 0.571 57.002 56.400 0.051 0.000 0.809 1354 E CB 0.152 29.866 29.700 0.024 0.000 0.756 1354 E HN 0.383 nan 8.360 nan 0.000 0.459 1355 E N 0.285 120.463 120.200 -0.036 0.000 2.077 1355 E HA -0.160 4.188 4.350 -0.003 0.000 0.193 1355 E C 1.917 178.615 176.600 0.162 0.000 0.989 1355 E CA 0.832 57.226 56.400 -0.009 0.000 0.800 1355 E CB -0.181 29.426 29.700 -0.154 0.000 0.746 1355 E HN 0.226 nan 8.360 nan 0.000 0.452 1356 F N 1.473 121.450 119.950 0.044 0.000 2.134 1356 F HA -0.111 4.414 4.527 -0.003 0.000 0.299 1356 F C 2.375 178.178 175.800 0.006 0.000 1.097 1356 F CA 0.753 58.768 58.000 0.025 0.000 1.264 1356 F CB -0.843 38.158 39.000 0.001 0.000 1.001 1356 F HN 0.116 nan 8.300 nan 0.000 0.479 1357 E N -0.846 119.468 120.200 0.190 0.000 2.267 1357 E HA -0.226 4.122 4.350 -0.003 0.000 0.197 1357 E C 1.130 177.647 176.600 -0.139 0.000 0.998 1357 E CA 1.076 57.475 56.400 -0.002 0.000 0.830 1357 E CB -0.125 29.547 29.700 -0.048 0.000 0.751 1357 E HN 0.502 nan 8.360 nan 0.000 0.491 1358 H N -1.836 117.234 119.070 0.001 0.000 2.551 1358 H HA 0.229 4.783 4.556 -0.003 0.000 0.271 1358 H C 0.752 176.089 175.328 0.014 0.000 0.984 1358 H CA 0.598 56.630 56.048 -0.027 0.000 1.164 1358 H CB 1.261 31.013 29.762 -0.016 0.000 1.437 1358 H HN 0.256 nan 8.280 nan 0.000 0.550 1359 G N 1.132 110.017 108.800 0.143 0.000 2.171 1359 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.238 1359 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.238 1359 G C -0.216 174.862 174.900 0.297 0.000 1.039 1359 G CA -0.555 44.669 45.100 0.207 0.000 0.759 1359 G HN 0.148 nan 8.290 nan 0.000 0.501 1360 R N 1.255 121.917 120.500 0.269 0.000 2.255 1360 R HA 0.456 4.794 4.340 -0.003 0.000 0.326 1360 R C 0.872 177.338 176.300 0.277 0.000 0.986 1360 R CA 0.235 56.475 56.100 0.233 0.000 0.847 1360 R CB 0.831 31.230 30.300 0.165 0.000 1.111 1360 R HN 0.482 nan 8.270 nan 0.000 0.452 1361 T N 0.716 115.394 114.554 0.206 0.000 2.898 1361 T HA 0.151 4.499 4.350 -0.003 0.000 0.301 1361 T C -1.677 173.144 174.700 0.200 0.000 1.049 1361 T CA -1.467 60.751 62.100 0.196 0.000 1.095 1361 T CB 0.899 69.845 68.868 0.129 0.000 0.976 1361 T HN 0.183 nan 8.240 nan 0.000 0.539 1362 P HA -0.113 nan 4.420 nan 0.000 0.216 1362 P C 1.497 178.871 177.300 0.123 0.000 1.154 1362 P CA 1.487 64.678 63.100 0.153 0.000 0.865 1362 P CB -0.307 31.475 31.700 0.137 0.000 0.789 1363 A N -0.820 122.081 122.820 0.135 0.000 2.259 1363 A HA -0.158 4.160 4.320 -0.003 0.000 0.212 1363 A C 1.844 179.528 177.584 0.167 0.000 1.178 1363 A CA 1.218 53.349 52.037 0.158 0.000 0.734 1363 A CB -1.060 18.043 19.000 0.171 0.000 0.774 1363 A HN 0.243 nan 8.150 nan 0.000 0.481 1364 E N -1.281 119.004 120.200 0.142 0.000 2.641 1364 E HA 0.224 4.572 4.350 -0.003 0.000 0.224 1364 E C 1.033 177.696 176.600 0.104 0.000 0.951 1364 E CA -0.109 56.370 56.400 0.132 0.000 1.102 1364 E CB 0.167 29.937 29.700 0.117 0.000 1.091 1364 E HN 0.645 nan 8.360 nan 0.000 0.507 1365 M N 0.038 119.694 119.600 0.092 0.000 2.495 1365 M HA 0.158 4.636 4.480 -0.003 0.000 0.237 1365 M C 0.806 177.139 176.300 0.054 0.000 1.131 1365 M CA 0.292 55.619 55.300 0.045 0.000 1.032 1365 M CB 0.787 33.389 32.600 0.004 0.000 1.513 1365 M HN -0.136 nan 8.290 nan 0.000 0.488 1366 S N 2.005 117.770 115.700 0.108 0.000 2.577 1366 S HA 0.480 4.948 4.470 -0.003 0.000 0.294 1366 S C -0.492 174.203 174.600 0.159 0.000 1.161 1366 S CA -0.741 57.543 58.200 0.139 0.000 1.143 1366 S CB 0.189 63.499 63.200 0.183 0.000 0.991 1366 S HN 0.440 nan 8.310 nan 0.000 0.475 1367 R N 3.847 124.392 120.500 0.075 0.000 2.629 1367 R HA 0.343 4.681 4.340 -0.003 0.000 0.275 1367 R C -3.140 173.112 176.300 -0.079 0.000 1.719 1367 R CA -1.722 54.383 56.100 0.010 0.000 1.472 1367 R CB 0.916 31.204 30.300 -0.020 0.000 1.237 1367 R HN 0.322 nan 8.270 nan 0.000 0.589 1368 P HA 0.020 nan 4.420 nan 0.000 0.271 1368 P C 0.411 177.392 177.300 -0.531 0.000 1.218 1368 P CA 0.395 63.344 63.100 -0.251 0.000 0.780 1368 P CB 1.179 32.786 31.700 -0.155 0.000 0.901 1369 A N 0.865 123.408 122.820 -0.462 0.000 3.413 1369 A HA -0.199 4.119 4.320 -0.003 0.000 0.268 1369 A C 0.787 178.129 177.584 -0.404 0.000 1.128 1369 A CA 1.738 53.462 52.037 -0.522 0.000 1.062 1369 A CB -2.909 15.573 19.000 -0.863 0.000 1.121 1369 A HN 0.521 nan 8.150 nan 0.000 0.895 1370 T N 0.216 114.599 114.554 -0.285 0.000 2.899 1370 T HA 0.386 4.734 4.350 -0.003 0.000 0.295 1370 T C 1.576 176.188 174.700 -0.146 0.000 1.033 1370 T CA 0.348 62.333 62.100 -0.192 0.000 1.084 1370 T CB 1.233 70.020 68.868 -0.136 0.000 0.979 1370 T HN 0.414 nan 8.240 nan 0.000 0.532 1371 T N 2.058 116.542 114.554 -0.116 0.000 2.759 1371 T HA -0.096 4.252 4.350 -0.003 0.000 0.269 1371 T C 1.833 176.479 174.700 -0.090 0.000 1.042 1371 T CA 1.669 63.716 62.100 -0.089 0.000 1.140 1371 T CB -0.300 68.523 68.868 -0.074 0.000 0.864 1371 T HN 0.762 nan 8.240 nan 0.000 0.455 1372 T N 1.936 116.428 114.554 -0.102 0.000 3.122 1372 T HA 0.147 4.495 4.350 -0.003 0.000 0.250 1372 T C 0.607 175.239 174.700 -0.115 0.000 1.067 1372 T CA -0.449 61.581 62.100 -0.116 0.000 0.966 1372 T CB -0.236 68.554 68.868 -0.129 0.000 1.002 1372 T HN 0.549 nan 8.240 nan 0.000 0.542 1373 R N 1.743 122.184 120.500 -0.098 0.000 2.566 1373 R HA 0.108 4.446 4.340 -0.003 0.000 0.273 1373 R C 0.231 176.485 176.300 -0.076 0.000 0.981 1373 R CA 0.291 56.342 56.100 -0.081 0.000 1.091 1373 R CB 0.027 30.279 30.300 -0.079 0.000 0.924 1373 R HN 0.045 nan 8.270 nan 0.000 0.411 1374 N N 0.195 118.855 118.700 -0.068 0.000 2.082 1374 N HA 0.187 4.925 4.740 -0.003 0.000 0.228 1374 N C -0.918 174.555 175.510 -0.061 0.000 1.341 1374 N CA 0.626 53.626 53.050 -0.083 0.000 0.873 1374 N CB 1.661 40.073 38.487 -0.125 0.000 1.137 1374 N HN 0.982 nan 8.380 nan 0.000 0.505 1375 G N 0.143 108.928 108.800 -0.025 0.000 2.362 1375 G HA2 0.095 4.053 3.960 -0.003 0.000 0.656 1375 G HA3 0.095 4.053 3.960 -0.003 0.000 0.656 1375 G C -0.808 174.106 174.900 0.023 0.000 1.376 1375 G CA -0.624 44.470 45.100 -0.010 0.000 0.971 1375 G HN 0.286 nan 8.290 nan 0.000 0.636 1376 F N 0.145 120.090 119.950 -0.008 0.000 2.380 1376 F HA 0.874 5.399 4.527 -0.003 0.000 0.325 1376 F C 0.322 176.126 175.800 0.006 0.000 1.136 1376 F CA -1.506 56.501 58.000 0.011 0.000 1.171 1376 F CB 1.207 40.239 39.000 0.053 0.000 1.230 1376 F HN 0.581 nan 8.300 nan 0.000 0.554 1377 M N 2.964 122.722 119.600 0.264 0.000 2.180 1377 M HA 0.299 4.777 4.480 -0.003 0.000 0.350 1377 M C -0.585 175.898 176.300 0.304 0.000 1.125 1377 M CA -0.353 55.031 55.300 0.139 0.000 1.031 1377 M CB 0.769 33.443 32.600 0.123 0.000 1.623 1377 M HN 0.841 nan 8.290 nan 0.000 0.451 1378 E N 3.068 123.361 120.200 0.155 0.000 2.349 1378 E HA 0.677 5.025 4.350 -0.003 0.000 0.265 1378 E C -1.302 175.378 176.600 0.133 0.000 1.064 1378 E CA -0.278 56.278 56.400 0.261 0.000 0.886 1378 E CB 0.864 30.754 29.700 0.317 0.000 1.036 1378 E HN 0.858 nan 8.360 nan 0.000 0.413 1379 A N 2.793 125.709 122.820 0.160 0.000 2.533 1379 A HA 0.501 4.819 4.320 -0.003 0.000 0.293 1379 A C -1.590 176.097 177.584 0.172 0.000 1.228 1379 A CA -0.789 51.319 52.037 0.119 0.000 0.689 1379 A CB 1.553 20.678 19.000 0.208 0.000 1.303 1379 A HN 0.669 nan 8.150 nan 0.000 0.444 1380 Q N -1.068 118.842 119.800 0.183 0.000 2.495 1380 Q HA 0.780 5.118 4.340 -0.003 0.000 0.287 1380 Q C -0.095 175.965 176.000 0.100 0.000 1.078 1380 Q CA -0.643 55.271 55.803 0.184 0.000 0.793 1380 Q CB 2.106 31.013 28.738 0.281 0.000 1.459 1380 Q HN 2.515 nan 8.270 nan 0.000 0.422 1381 G N -0.509 108.283 108.800 -0.014 0.000 2.315 1381 G HA2 0.464 4.422 3.960 -0.003 0.000 0.296 1381 G HA3 0.464 4.422 3.960 -0.003 0.000 0.296 1381 G C -1.760 173.250 174.900 0.184 0.000 1.289 1381 G CA -0.262 44.784 45.100 -0.091 0.000 0.996 1381 G HN 1.301 nan 8.290 nan 0.000 0.487 1382 A N -1.618 121.404 122.820 0.338 0.000 2.609 1382 A HA 1.113 5.431 4.320 -0.003 0.000 0.291 1382 A C -0.157 177.757 177.584 0.550 0.000 1.096 1382 A CA 0.332 52.609 52.037 0.401 0.000 0.684 1382 A CB 1.589 20.840 19.000 0.418 0.000 1.282 1382 A HN 2.614 nan 8.150 nan 0.000 0.412 1383 G N 0.425 109.493 108.800 0.446 0.000 2.734 1383 G HA2 0.632 4.590 3.960 -0.003 0.000 0.293 1383 G HA3 0.632 4.590 3.960 -0.003 0.000 0.293 1383 G C -0.849 174.245 174.900 0.323 0.000 1.422 1383 G CA 0.103 45.483 45.100 0.467 0.000 1.177 1383 G HN 1.626 nan 8.290 nan 0.000 0.565 1384 I N -0.399 120.338 120.570 0.277 0.000 3.002 1384 I HA 0.825 4.993 4.170 -0.003 0.000 0.310 1384 I C -1.120 175.099 176.117 0.171 0.000 1.087 1384 I CA -1.181 60.245 61.300 0.210 0.000 1.017 1384 I CB 2.622 40.742 38.000 0.201 0.000 1.226 1384 I HN 0.539 nan 8.210 nan 0.000 0.443 1385 Q N 4.469 124.337 119.800 0.113 0.000 2.451 1385 Q HA 0.592 4.930 4.340 -0.003 0.000 0.281 1385 Q C -1.439 174.564 176.000 0.005 0.000 1.099 1385 Q CA -0.906 54.947 55.803 0.083 0.000 0.806 1385 Q CB 2.933 31.715 28.738 0.073 0.000 1.419 1385 Q HN 0.778 nan 8.270 nan 0.000 0.427 1386 I N 2.766 123.307 120.570 -0.048 0.000 2.336 1386 I HA 0.413 4.581 4.170 -0.003 0.000 0.292 1386 I C 0.255 176.355 176.117 -0.030 0.000 0.991 1386 I CA -0.956 60.281 61.300 -0.105 0.000 1.227 1386 I CB 1.033 38.879 38.000 -0.256 0.000 1.366 1386 I HN 0.606 nan 8.210 nan 0.000 0.466 1387 I N 3.997 124.561 120.570 -0.011 0.000 2.750 1387 I HA 0.775 4.943 4.170 -0.003 0.000 0.308 1387 I C -0.726 175.400 176.117 0.016 0.000 1.016 1387 I CA -0.751 60.554 61.300 0.009 0.000 1.098 1387 I CB 2.346 40.355 38.000 0.013 0.000 1.279 1387 I HN 0.635 nan 8.210 nan 0.000 0.454 1388 M N 2.215 121.827 119.600 0.020 0.000 2.682 1388 M HA 0.330 4.808 4.480 -0.003 0.000 0.272 1388 M C -1.556 174.759 176.300 0.025 0.000 1.232 1388 M CA -0.529 54.786 55.300 0.025 0.000 0.849 1388 M CB 2.839 35.449 32.600 0.016 0.000 1.695 1388 M HN 0.715 nan 8.290 nan 0.000 0.481 1389 Q N 0.833 120.652 119.800 0.031 0.000 2.313 1389 Q HA 0.287 4.625 4.340 -0.003 0.000 0.266 1389 Q C 0.852 176.864 176.000 0.019 0.000 0.989 1389 Q CA 0.415 56.236 55.803 0.030 0.000 0.890 1389 Q CB 1.321 30.083 28.738 0.039 0.000 1.200 1389 Q HN 0.800 nan 8.270 nan 0.000 0.396 1390 A N 3.205 126.034 122.820 0.016 0.000 1.948 1390 A HA -0.264 4.054 4.320 -0.003 0.000 0.220 1390 A C 1.552 179.134 177.584 -0.004 0.000 1.177 1390 A CA 2.067 54.102 52.037 -0.003 0.000 0.636 1390 A CB -0.243 18.760 19.000 0.004 0.000 0.815 1390 A HN 0.838 nan 8.150 nan 0.000 0.449 1391 D N -0.549 119.862 120.400 0.018 0.000 2.117 1391 D HA -0.090 4.548 4.640 -0.003 0.000 0.198 1391 D C 1.874 178.193 176.300 0.031 0.000 0.982 1391 D CA 0.818 54.834 54.000 0.027 0.000 0.828 1391 D CB -0.216 40.607 40.800 0.039 0.000 0.967 1391 D HN 0.400 nan 8.370 nan 0.000 0.464 1392 L N 0.020 121.261 121.223 0.030 0.000 2.056 1392 L HA -0.112 4.226 4.340 -0.003 0.000 0.207 1392 L C 2.248 179.108 176.870 -0.018 0.000 1.078 1392 L CA 1.254 56.107 54.840 0.022 0.000 0.749 1392 L CB -0.287 41.789 42.059 0.029 0.000 0.901 1392 L HN -0.013 nan 8.230 nan 0.000 0.433 1393 A N 0.183 123.000 122.820 -0.006 0.000 1.883 1393 A HA -0.237 4.081 4.320 -0.003 0.000 0.217 1393 A C 2.152 179.778 177.584 0.070 0.000 1.186 1393 A CA 1.668 53.710 52.037 0.009 0.000 0.624 1393 A CB -0.841 18.167 19.000 0.013 0.000 0.822 1393 A HN 0.462 nan 8.150 nan 0.000 0.444 1394 L N -0.837 120.399 121.223 0.022 0.000 2.042 1394 L HA -0.234 4.104 4.340 -0.003 0.000 0.210 1394 L C 2.699 179.675 176.870 0.177 0.000 1.076 1394 L CA 2.094 56.955 54.840 0.035 0.000 0.749 1394 L CB -0.401 41.609 42.059 -0.082 0.000 0.893 1394 L HN 0.496 nan 8.230 nan 0.000 0.432 1395 K N 0.040 120.496 120.400 0.093 0.000 2.031 1395 K HA -0.139 4.179 4.320 -0.003 0.000 0.205 1395 K C 2.207 178.855 176.600 0.080 0.000 1.049 1395 K CA 1.216 57.571 56.287 0.113 0.000 0.939 1395 K CB 0.003 32.578 32.500 0.124 0.000 0.717 1395 K HN 0.174 nan 8.250 nan 0.000 0.438 1396 M N -0.483 119.037 119.600 -0.133 0.000 2.175 1396 M HA -0.016 4.462 4.480 -0.003 0.000 0.264 1396 M C 0.831 177.083 176.300 -0.081 0.000 1.063 1396 M CA 1.409 56.456 55.300 -0.422 0.000 1.119 1396 M CB 0.011 32.221 32.600 -0.650 0.000 1.377 1396 M HN 0.483 nan 8.290 nan 0.000 0.415 1397 G N 1.696 110.525 108.800 0.048 0.000 2.370 1397 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.268 1397 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.268 1397 G C -0.181 174.717 174.900 -0.004 0.000 1.122 1397 G CA 0.034 45.164 45.100 0.050 0.000 0.963 1397 G HN 0.482 nan 8.290 nan 0.000 0.500 1398 V N -2.857 117.096 119.914 0.065 0.000 3.096 1398 V HA 0.970 5.088 4.120 -0.003 0.000 0.319 1398 V C -1.849 174.246 176.094 0.001 0.000 1.082 1398 V CA -2.788 59.516 62.300 0.007 0.000 1.022 1398 V CB 1.710 33.526 31.823 -0.010 0.000 1.103 1398 V HN 0.128 nan 8.190 nan 0.000 0.455 1399 P HA 0.483 nan 4.420 nan 0.000 0.274 1399 P C -0.828 176.335 177.300 -0.228 0.000 1.237 1399 P CA -0.052 62.837 63.100 -0.352 0.000 0.793 1399 P CB 0.420 31.524 31.700 -0.992 0.000 0.977 1400 I N 2.150 122.606 120.570 -0.190 0.000 2.448 1400 I HA 0.212 4.380 4.170 -0.003 0.000 0.281 1400 I C 0.051 176.057 176.117 -0.185 0.000 1.027 1400 I CA -0.375 60.866 61.300 -0.098 0.000 1.111 1400 I CB 1.395 39.396 38.000 0.001 0.000 1.236 1400 I HN 0.386 nan 8.210 nan 0.000 0.452 1401 Y N 4.394 124.677 120.300 -0.029 0.000 2.510 1401 Y HA 0.401 4.949 4.550 -0.003 0.000 0.273 1401 Y C 1.401 177.219 175.900 -0.135 0.000 1.119 1401 Y CA 0.054 58.123 58.100 -0.051 0.000 1.286 1401 Y CB 0.806 39.285 38.460 0.031 0.000 1.061 1401 Y HN 0.601 nan 8.280 nan 0.000 0.542 1402 G N -0.536 108.265 108.800 0.002 0.000 2.328 1402 G HA2 0.397 4.355 3.960 -0.003 0.000 0.295 1402 G HA3 0.397 4.355 3.960 -0.003 0.000 0.295 1402 G C -1.904 172.948 174.900 -0.080 0.000 1.413 1402 G CA -1.000 44.053 45.100 -0.078 0.000 0.817 1402 G HN -0.090 nan 8.290 nan 0.000 0.546 1403 I N 0.976 121.481 120.570 -0.109 0.000 2.339 1403 I HA 0.312 4.480 4.170 -0.003 0.000 0.290 1403 I C 0.118 176.197 176.117 -0.064 0.000 0.994 1403 I CA -0.999 60.237 61.300 -0.105 0.000 1.191 1403 I CB 1.916 39.781 38.000 -0.225 0.000 1.343 1403 I HN 0.159 nan 8.210 nan 0.000 0.458 1404 V N 6.589 126.486 119.914 -0.028 0.000 2.381 1404 V HA 0.121 4.239 4.120 -0.003 0.000 0.257 1404 V C 1.114 177.219 176.094 0.017 0.000 1.057 1404 V CA 0.129 62.419 62.300 -0.015 0.000 1.013 1404 V CB 0.662 32.479 31.823 -0.010 0.000 1.069 1404 V HN 0.951 nan 8.190 nan 0.000 0.484 1405 A N 5.616 128.449 122.820 0.022 0.000 2.348 1405 A HA 0.639 4.957 4.320 -0.003 0.000 0.224 1405 A C 0.414 178.039 177.584 0.068 0.000 1.227 1405 A CA 0.086 52.175 52.037 0.088 0.000 0.885 1405 A CB 0.137 19.204 19.000 0.112 0.000 0.933 1405 A HN 0.775 nan 8.150 nan 0.000 0.506 1406 M N -1.585 118.030 119.600 0.024 0.000 2.751 1406 M HA 0.505 4.983 4.480 -0.003 0.000 0.276 1406 M C -2.572 173.716 176.300 -0.020 0.000 1.002 1406 M CA -0.199 55.106 55.300 0.008 0.000 0.828 1406 M CB 1.385 33.984 32.600 -0.002 0.000 1.752 1406 M HN 0.517 nan 8.290 nan 0.000 0.556 1407 A N 2.636 125.439 122.820 -0.027 0.000 2.512 1407 A HA 0.932 5.250 4.320 -0.003 0.000 0.294 1407 A C -1.803 175.748 177.584 -0.055 0.000 1.054 1407 A CA 0.105 52.114 52.037 -0.047 0.000 0.756 1407 A CB 1.369 20.345 19.000 -0.039 0.000 1.293 1407 A HN 1.606 nan 8.150 nan 0.000 0.395 1408 A N 1.314 124.087 122.820 -0.078 0.000 2.515 1408 A HA 0.982 5.300 4.320 -0.003 0.000 0.298 1408 A C -0.238 177.280 177.584 -0.111 0.000 1.059 1408 A CA 0.003 51.990 52.037 -0.084 0.000 0.698 1408 A CB 1.460 20.410 19.000 -0.083 0.000 1.289 1408 A HN 1.987 nan 8.150 nan 0.000 0.404 1409 T N -1.113 113.380 114.554 -0.102 0.000 2.887 1409 T HA 0.882 5.230 4.350 -0.003 0.000 0.288 1409 T C -0.443 174.191 174.700 -0.111 0.000 1.021 1409 T CA -0.159 61.870 62.100 -0.119 0.000 1.000 1409 T CB 1.774 70.584 68.868 -0.096 0.000 1.034 1409 T HN 2.172 nan 8.240 nan 0.000 0.467 1410 A N 1.954 124.696 122.820 -0.130 0.000 2.488 1410 A HA 0.710 5.028 4.320 -0.003 0.000 0.295 1410 A C 0.061 177.585 177.584 -0.099 0.000 1.045 1410 A CA -0.926 51.047 52.037 -0.106 0.000 0.703 1410 A CB 1.203 20.137 19.000 -0.109 0.000 1.271 1410 A HN 0.876 nan 8.150 nan 0.000 0.400 1411 T N 1.307 115.821 114.554 -0.067 0.000 2.788 1411 T HA 0.327 4.675 4.350 -0.003 0.000 0.287 1411 T C 0.293 174.970 174.700 -0.039 0.000 1.007 1411 T CA -0.110 61.962 62.100 -0.047 0.000 1.005 1411 T CB 0.555 69.403 68.868 -0.033 0.000 1.012 1411 T HN 0.646 nan 8.240 nan 0.000 0.530 1412 D N 0.591 120.979 120.400 -0.021 0.000 2.525 1412 D HA 0.277 4.915 4.640 -0.003 0.000 0.261 1412 D C 0.657 176.952 176.300 -0.009 0.000 1.379 1412 D CA 0.310 54.305 54.000 -0.009 0.000 1.074 1412 D CB 0.221 41.027 40.800 0.010 0.000 0.939 1412 D HN 0.664 nan 8.370 nan 0.000 0.272 1413 K N -0.934 119.464 120.400 -0.003 0.000 2.499 1413 K HA 0.410 4.728 4.320 -0.003 0.000 0.284 1413 K C -0.742 175.858 176.600 -0.001 0.000 1.039 1413 K CA -0.758 55.527 56.287 -0.004 0.000 0.873 1413 K CB 0.977 33.475 32.500 -0.002 0.000 1.545 1413 K HN -0.097 nan 8.250 nan 0.000 0.402 1414 I N 1.493 122.062 120.570 -0.001 0.000 2.683 1414 I HA 0.210 4.378 4.170 -0.003 0.000 0.286 1414 I C 0.560 176.679 176.117 0.004 0.000 1.175 1414 I CA 0.860 62.160 61.300 0.001 0.000 1.429 1414 I CB 0.043 38.043 38.000 -0.000 0.000 1.371 1414 I HN 0.898 nan 8.210 nan 0.000 0.569 1415 G N 5.488 114.292 108.800 0.007 0.000 2.706 1415 G HA2 0.568 4.526 3.960 -0.003 0.000 0.307 1415 G HA3 0.568 4.526 3.960 -0.003 0.000 0.307 1415 G C -0.236 174.671 174.900 0.011 0.000 1.307 1415 G CA -0.398 44.708 45.100 0.009 0.000 0.790 1415 G HN 0.483 nan 8.290 nan 0.000 0.503 1416 R N -1.019 119.489 120.500 0.014 0.000 2.504 1416 R HA 0.330 4.668 4.340 -0.003 0.000 0.341 1416 R C 0.332 176.646 176.300 0.022 0.000 0.905 1416 R CA 0.169 56.279 56.100 0.016 0.000 1.133 1416 R CB 0.986 31.294 30.300 0.013 0.000 1.704 1416 R HN 0.465 nan 8.270 nan 0.000 0.503 1417 S N 0.519 116.232 115.700 0.022 0.000 2.474 1417 S HA 0.220 4.688 4.470 -0.003 0.000 0.320 1417 S C 1.201 175.822 174.600 0.034 0.000 1.067 1417 S CA -0.515 57.702 58.200 0.028 0.000 1.127 1417 S CB 0.715 63.925 63.200 0.018 0.000 0.971 1417 S HN 0.029 nan 8.310 nan 0.000 0.472 1418 V N 6.652 126.602 119.914 0.060 0.000 2.332 1418 V HA -0.034 4.084 4.120 -0.003 0.000 0.248 1418 V C -1.047 175.096 176.094 0.083 0.000 1.055 1418 V CA 1.380 63.733 62.300 0.088 0.000 1.038 1418 V CB -1.460 30.440 31.823 0.129 0.000 0.651 1418 V HN 0.635 nan 8.190 nan 0.000 0.450 1419 P HA 0.176 nan 4.420 nan 0.000 0.249 1419 P C 0.107 177.242 177.300 -0.276 0.000 1.241 1419 P CA 0.478 63.454 63.100 -0.206 0.000 0.781 1419 P CB -0.137 31.538 31.700 -0.040 0.000 1.088 1420 A N 1.228 123.985 122.820 -0.106 0.000 2.354 1420 A HA 0.541 4.859 4.320 -0.003 0.000 0.269 1420 A C -2.308 175.245 177.584 -0.051 0.000 1.109 1420 A CA -1.316 50.677 52.037 -0.073 0.000 0.800 1420 A CB -0.391 18.595 19.000 -0.024 0.000 1.045 1420 A HN 0.007 nan 8.150 nan 0.000 0.489 1421 P HA 0.589 nan 4.420 nan 0.000 0.281 1421 P C 0.235 177.575 177.300 0.066 0.000 1.249 1421 P CA -0.059 63.062 63.100 0.034 0.000 0.810 1421 P CB 1.709 33.367 31.700 -0.070 0.000 1.008 1422 G N 0.719 109.618 108.800 0.165 0.000 2.975 1422 G HA2 0.456 4.414 3.960 -0.003 0.000 0.291 1422 G HA3 0.456 4.414 3.960 -0.003 0.000 0.291 1422 G C -0.810 174.200 174.900 0.184 0.000 1.334 1422 G CA -0.721 44.451 45.100 0.121 0.000 0.843 1422 G HN 0.301 nan 8.290 nan 0.000 0.548 1423 K N 0.022 120.482 120.400 0.100 0.000 2.726 1423 K HA 0.229 4.547 4.320 -0.003 0.000 0.209 1423 K C 1.670 178.283 176.600 0.021 0.000 1.082 1423 K CA 0.091 56.429 56.287 0.085 0.000 1.081 1423 K CB 1.120 33.652 32.500 0.054 0.000 0.830 1423 K HN 0.478 nan 8.250 nan 0.000 0.470 1424 G N 1.376 110.174 108.800 -0.003 0.000 2.418 1424 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.217 1424 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.217 1424 G C 1.240 176.091 174.900 -0.081 0.000 1.158 1424 G CA 0.439 45.511 45.100 -0.047 0.000 0.771 1424 G HN 0.278 nan 8.290 nan 0.000 0.545 1425 I N 0.776 121.270 120.570 -0.127 0.000 3.083 1425 I HA 0.103 4.271 4.170 -0.003 0.000 0.273 1425 I C 2.107 178.164 176.117 -0.100 0.000 1.297 1425 I CA 0.150 61.350 61.300 -0.166 0.000 1.452 1425 I CB -0.033 37.774 38.000 -0.322 0.000 1.078 1425 I HN 0.128 nan 8.210 nan 0.000 0.484 1426 L N 0.102 121.291 121.223 -0.057 0.000 2.362 1426 L HA -0.153 4.185 4.340 -0.003 0.000 0.219 1426 L C 2.119 178.955 176.870 -0.057 0.000 1.134 1426 L CA 1.654 56.467 54.840 -0.044 0.000 0.807 1426 L CB -0.617 41.423 42.059 -0.031 0.000 0.927 1426 L HN 0.485 nan 8.230 nan 0.000 0.447 1427 T N -4.860 109.657 114.554 -0.062 0.000 3.051 1427 T HA -0.127 4.221 4.350 -0.003 0.000 0.269 1427 T C 1.613 176.283 174.700 -0.049 0.000 1.127 1427 T CA 1.086 63.151 62.100 -0.058 0.000 1.107 1427 T CB -0.768 68.065 68.868 -0.059 0.000 0.898 1427 T HN 0.502 nan 8.240 nan 0.000 0.517 1428 T N -1.245 113.276 114.554 -0.055 0.000 3.160 1428 T HA 0.431 4.779 4.350 -0.003 0.000 0.257 1428 T C 1.610 176.290 174.700 -0.033 0.000 1.147 1428 T CA 0.350 62.420 62.100 -0.050 0.000 1.064 1428 T CB -0.281 68.547 68.868 -0.067 0.000 0.949 1428 T HN 0.497 nan 8.240 nan 0.000 0.526 1429 A N 1.637 124.449 122.820 -0.013 0.000 2.470 1429 A HA 0.355 4.673 4.320 -0.003 0.000 0.251 1429 A C 1.072 178.723 177.584 0.112 0.000 1.245 1429 A CA -0.739 51.321 52.037 0.038 0.000 0.932 1429 A CB -0.187 18.846 19.000 0.054 0.000 1.037 1429 A HN 0.605 nan 8.150 nan 0.000 0.522 1430 R N 1.497 122.021 120.500 0.041 0.000 2.404 1430 R HA 0.272 4.610 4.340 -0.003 0.000 0.315 1430 R C -0.605 175.726 176.300 0.053 0.000 1.032 1430 R CA 0.410 56.537 56.100 0.045 0.000 0.992 1430 R CB 0.052 30.343 30.300 -0.016 0.000 0.959 1430 R HN 0.548 nan 8.270 nan 0.000 0.428 1431 E N 3.096 123.340 120.200 0.073 0.000 2.390 1431 E HA 0.171 4.519 4.350 -0.003 0.000 0.277 1431 E C -1.531 174.942 176.600 -0.210 0.000 0.939 1431 E CA -1.009 55.351 56.400 -0.066 0.000 0.769 1431 E CB 1.550 31.196 29.700 -0.090 0.000 1.251 1431 E HN 0.762 nan 8.360 nan 0.000 0.450 1432 H N 1.803 120.728 119.070 -0.241 0.000 2.594 1432 H HA 0.178 4.732 4.556 -0.003 0.000 0.304 1432 H C -0.517 174.729 175.328 -0.136 0.000 1.068 1432 H CA -0.532 55.401 56.048 -0.191 0.000 1.308 1432 H CB 0.677 30.399 29.762 -0.066 0.000 1.409 1432 H HN 0.555 nan 8.280 nan 0.000 0.460 1433 H N 2.992 121.895 119.070 -0.279 0.000 2.505 1433 H HA -0.008 4.546 4.556 -0.003 0.000 0.286 1433 H C 1.828 176.966 175.328 -0.317 0.000 1.072 1433 H CA 0.387 56.294 56.048 -0.235 0.000 1.141 1433 H CB 0.378 30.053 29.762 -0.146 0.000 1.550 1433 H HN 0.594 nan 8.280 nan 0.000 0.547 1434 S N -0.404 114.979 115.700 -0.528 0.000 2.507 1434 S HA 0.007 4.475 4.470 -0.003 0.000 0.235 1434 S C 0.578 175.096 174.600 -0.136 0.000 0.988 1434 S CA 0.054 58.046 58.200 -0.347 0.000 0.944 1434 S CB 0.144 63.094 63.200 -0.417 0.000 0.762 1434 S HN 0.086 nan 8.310 nan 0.000 0.526 1435 S N 0.161 115.802 115.700 -0.098 0.000 2.706 1435 S HA 0.505 4.973 4.470 -0.003 0.000 0.270 1435 S C -0.768 173.809 174.600 -0.038 0.000 1.163 1435 S CA -0.784 57.389 58.200 -0.045 0.000 1.042 1435 S CB 2.010 65.210 63.200 -0.000 0.000 1.079 1435 S HN 0.207 nan 8.310 nan 0.000 0.474 1436 V N 3.100 122.969 119.914 -0.076 0.000 2.864 1436 V HA 0.261 4.379 4.120 -0.003 0.000 0.378 1436 V C 1.139 177.135 176.094 -0.163 0.000 1.346 1436 V CA -0.556 61.691 62.300 -0.088 0.000 1.328 1436 V CB 0.510 32.277 31.823 -0.094 0.000 1.361 1436 V HN 0.540 nan 8.190 nan 0.000 0.641 1437 K N 0.859 121.108 120.400 -0.251 0.000 1.980 1437 K HA 0.113 4.431 4.320 -0.003 0.000 0.208 1437 K C 0.233 176.494 176.600 -0.566 0.000 1.043 1437 K CA 1.540 57.505 56.287 -0.537 0.000 0.938 1437 K CB 0.014 31.972 32.500 -0.902 0.000 0.724 1437 K HN 0.499 nan 8.250 nan 0.000 0.438 1438 Y N 0.001 120.290 120.300 -0.017 0.000 2.420 1438 Y HA 0.443 4.991 4.550 -0.003 0.000 0.334 1438 Y C 0.234 176.120 175.900 -0.023 0.000 1.094 1438 Y CA -1.278 56.810 58.100 -0.021 0.000 1.126 1438 Y CB 1.125 39.572 38.460 -0.021 0.000 1.217 1438 Y HN 0.021 nan 8.280 nan 0.000 0.462 1439 A N 1.599 124.496 122.820 0.128 0.000 2.540 1439 A HA 0.148 4.466 4.320 -0.003 0.000 0.239 1439 A C 0.454 178.056 177.584 0.030 0.000 1.061 1439 A CA -0.089 51.978 52.037 0.050 0.000 0.758 1439 A CB -0.082 18.934 19.000 0.027 0.000 0.991 1439 A HN 0.645 nan 8.150 nan 0.000 0.502 1440 S N 3.418 119.132 115.700 0.022 0.000 2.430 1440 S HA 0.350 4.818 4.470 -0.003 0.000 0.282 1440 S C -1.311 173.262 174.600 -0.044 0.000 1.186 1440 S CA -1.320 56.887 58.200 0.012 0.000 1.060 1440 S CB 0.239 63.474 63.200 0.058 0.000 0.966 1440 S HN 0.505 nan 8.310 nan 0.000 0.501 1441 P HA -0.119 nan 4.420 nan 0.000 0.218 1441 P C 1.186 178.344 177.300 -0.236 0.000 1.146 1441 P CA 1.004 63.859 63.100 -0.407 0.000 0.813 1441 P CB -0.002 31.164 31.700 -0.891 0.000 0.778 1442 N N -0.596 118.104 118.700 -0.000 0.000 2.104 1442 N HA -0.128 4.610 4.740 -0.003 0.000 0.190 1442 N C 1.657 177.296 175.510 0.214 0.000 1.024 1442 N CA 0.628 53.840 53.050 0.270 0.000 0.853 1442 N CB -0.342 38.336 38.487 0.317 0.000 1.008 1442 N HN 0.082 nan 8.380 nan 0.000 0.424 1443 L N 0.687 122.005 121.223 0.159 0.000 2.191 1443 L HA -0.107 4.231 4.340 -0.003 0.000 0.212 1443 L C 0.527 177.406 176.870 0.015 0.000 1.103 1443 L CA 0.457 55.374 54.840 0.129 0.000 0.769 1443 L CB -0.438 41.685 42.059 0.107 0.000 0.908 1443 L HN 0.220 nan 8.230 nan 0.000 0.438 1444 N N 0.328 119.040 118.700 0.019 0.000 2.401 1444 N HA -0.014 4.724 4.740 -0.003 0.000 0.255 1444 N C 0.791 176.304 175.510 0.005 0.000 1.110 1444 N CA 0.267 53.323 53.050 0.011 0.000 0.949 1444 N CB 0.908 39.404 38.487 0.015 0.000 1.110 1444 N HN 0.094 nan 8.380 nan 0.000 0.490 1445 M N 3.311 122.879 119.600 -0.053 0.000 2.159 1445 M HA -0.154 4.324 4.480 -0.003 0.000 0.263 1445 M C 1.422 177.684 176.300 -0.063 0.000 1.063 1445 M CA 1.583 56.827 55.300 -0.094 0.000 1.110 1445 M CB 0.109 32.658 32.600 -0.084 0.000 1.374 1445 M HN 0.509 nan 8.290 nan 0.000 0.411 1446 K N -0.894 119.490 120.400 -0.026 0.000 2.103 1446 K HA -0.242 4.076 4.320 -0.003 0.000 0.207 1446 K C 1.797 178.377 176.600 -0.034 0.000 1.048 1446 K CA 1.923 58.194 56.287 -0.027 0.000 0.930 1446 K CB -0.417 32.080 32.500 -0.006 0.000 0.716 1446 K HN 0.406 nan 8.250 nan 0.000 0.444 1447 Y N 1.642 121.864 120.300 -0.130 0.000 2.092 1447 Y HA -0.198 4.350 4.550 -0.003 0.000 0.282 1447 Y C 2.065 177.797 175.900 -0.280 0.000 1.126 1447 Y CA 1.436 59.435 58.100 -0.168 0.000 1.111 1447 Y CB -0.185 38.204 38.460 -0.118 0.000 0.987 1447 Y HN -0.110 nan 8.280 nan 0.000 0.489 1448 R N 0.191 120.475 120.500 -0.359 0.000 2.113 1448 R HA -0.256 4.082 4.340 -0.003 0.000 0.244 1448 R C 2.279 178.257 176.300 -0.537 0.000 1.142 1448 R CA 2.034 57.831 56.100 -0.505 0.000 0.953 1448 R CB -0.486 29.755 30.300 -0.099 0.000 0.860 1448 R HN 0.193 nan 8.270 nan 0.000 0.438 1449 K N 1.153 121.371 120.400 -0.304 0.000 2.103 1449 K HA -0.147 4.171 4.320 -0.003 0.000 0.207 1449 K C 2.014 178.436 176.600 -0.297 0.000 1.048 1449 K CA 1.538 57.685 56.287 -0.233 0.000 0.930 1449 K CB -0.050 32.369 32.500 -0.136 0.000 0.716 1449 K HN 0.113 nan 8.250 nan 0.000 0.444 1450 R N -0.113 120.177 120.500 -0.349 0.000 2.073 1450 R HA -0.100 4.238 4.340 -0.003 0.000 0.234 1450 R C 2.345 178.373 176.300 -0.454 0.000 1.134 1450 R CA 1.474 57.376 56.100 -0.329 0.000 0.952 1450 R CB -0.411 29.720 30.300 -0.282 0.000 0.850 1450 R HN 0.308 nan 8.270 nan 0.000 0.433 1451 Q N 0.866 120.196 119.800 -0.784 0.000 2.112 1451 Q HA -0.198 4.140 4.340 -0.003 0.000 0.206 1451 Q C 2.246 177.795 176.000 -0.751 0.000 0.987 1451 Q CA 1.277 56.480 55.803 -0.999 0.000 0.858 1451 Q CB -0.505 26.997 28.738 -2.060 0.000 0.905 1451 Q HN 0.239 nan 8.270 nan 0.000 0.420 1452 L N 0.152 120.968 121.223 -0.678 0.000 2.017 1452 L HA -0.122 4.216 4.340 -0.003 0.000 0.208 1452 L C 2.265 179.048 176.870 -0.146 0.000 1.073 1452 L CA 1.450 56.147 54.840 -0.239 0.000 0.745 1452 L CB -0.777 41.222 42.059 -0.100 0.000 0.894 1452 L HN -0.038 nan 8.230 nan 0.000 0.432 1453 V N -0.413 119.398 119.914 -0.171 0.000 2.469 1453 V HA -0.305 3.813 4.120 -0.003 0.000 0.251 1453 V C 2.518 178.559 176.094 -0.087 0.000 1.064 1453 V CA 2.160 64.397 62.300 -0.106 0.000 1.066 1453 V CB -0.799 30.960 31.823 -0.106 0.000 0.667 1453 V HN 0.611 nan 8.190 nan 0.000 0.461 1454 T N -0.788 113.692 114.554 -0.123 0.000 2.674 1454 T HA -0.172 4.176 4.350 -0.003 0.000 0.265 1454 T C 2.176 176.852 174.700 -0.040 0.000 1.039 1454 T CA 1.131 63.181 62.100 -0.084 0.000 1.150 1454 T CB -0.243 68.559 68.868 -0.111 0.000 0.864 1454 T HN 0.198 nan 8.240 nan 0.000 0.427 1455 R N 1.269 121.749 120.500 -0.033 0.000 2.127 1455 R HA -0.022 4.316 4.340 -0.003 0.000 0.238 1455 R C 2.346 178.650 176.300 0.007 0.000 1.134 1455 R CA 1.170 57.276 56.100 0.011 0.000 0.975 1455 R CB -0.510 29.827 30.300 0.061 0.000 0.865 1455 R HN 0.608 nan 8.270 nan 0.000 0.447 1456 E N -0.240 119.958 120.200 -0.003 0.000 2.051 1456 E HA -0.145 4.203 4.350 -0.003 0.000 0.192 1456 E C 1.935 178.546 176.600 0.018 0.000 0.991 1456 E CA 1.303 57.706 56.400 0.006 0.000 0.799 1456 E CB -0.091 29.606 29.700 -0.004 0.000 0.748 1456 E HN 0.295 nan 8.360 nan 0.000 0.449 1457 A N 1.265 124.091 122.820 0.011 0.000 1.877 1457 A HA -0.273 4.045 4.320 -0.003 0.000 0.216 1457 A C 2.104 179.716 177.584 0.046 0.000 1.186 1457 A CA 1.695 53.747 52.037 0.024 0.000 0.620 1457 A CB -0.635 18.370 19.000 0.008 0.000 0.822 1457 A HN 0.201 nan 8.150 nan 0.000 0.443 1458 Q N -0.549 119.275 119.800 0.039 0.000 2.152 1458 Q HA -0.178 4.160 4.340 -0.003 0.000 0.206 1458 Q C 1.918 177.978 176.000 0.099 0.000 0.985 1458 Q CA 1.877 57.716 55.803 0.060 0.000 0.863 1458 Q CB -0.272 28.489 28.738 0.038 0.000 0.904 1458 Q HN 0.762 nan 8.270 nan 0.000 0.422 1459 I N 0.097 120.712 120.570 0.073 0.000 2.353 1459 I HA -0.249 3.919 4.170 -0.003 0.000 0.248 1459 I C 2.439 178.679 176.117 0.205 0.000 1.119 1459 I CA 0.868 62.228 61.300 0.100 0.000 1.417 1459 I CB -0.341 37.673 38.000 0.022 0.000 1.078 1459 I HN 0.225 nan 8.210 nan 0.000 0.421 1460 K N 1.592 122.074 120.400 0.137 0.000 2.009 1460 K HA -0.256 4.062 4.320 -0.003 0.000 0.210 1460 K C 1.406 178.095 176.600 0.149 0.000 1.049 1460 K CA 2.528 58.893 56.287 0.130 0.000 0.929 1460 K CB -0.144 32.403 32.500 0.079 0.000 0.714 1460 K HN 0.411 nan 8.250 nan 0.000 0.440 1461 D N -1.463 119.018 120.400 0.134 0.000 2.355 1461 D HA -0.113 4.525 4.640 -0.003 0.000 0.218 1461 D C 1.576 177.956 176.300 0.132 0.000 1.004 1461 D CA 0.074 54.136 54.000 0.103 0.000 0.880 1461 D CB -0.531 40.311 40.800 0.070 0.000 0.911 1461 D HN 0.446 nan 8.370 nan 0.000 0.528 1462 W N 1.232 122.543 121.300 0.018 0.000 2.409 1462 W HA -0.098 4.560 4.660 -0.003 0.000 0.299 1462 W C 1.590 178.119 176.519 0.016 0.000 1.203 1462 W CA 1.191 58.546 57.345 0.017 0.000 1.298 1462 W CB 0.005 29.477 29.460 0.019 0.000 1.127 1462 W HN -0.127 nan 8.180 nan 0.000 0.528 1463 V N 0.907 120.993 119.914 0.288 0.000 2.453 1463 V HA -0.255 3.863 4.120 -0.003 0.000 0.247 1463 V C 2.001 178.050 176.094 -0.076 0.000 1.048 1463 V CA 2.275 64.631 62.300 0.093 0.000 1.049 1463 V CB -0.997 31.004 31.823 0.296 0.000 0.672 1463 V HN 0.185 nan 8.190 nan 0.000 0.457 1464 E N 0.510 120.703 120.200 -0.011 0.000 2.051 1464 E HA -0.245 4.103 4.350 -0.003 0.000 0.192 1464 E C 2.105 178.639 176.600 -0.109 0.000 0.991 1464 E CA 1.642 58.019 56.400 -0.038 0.000 0.799 1464 E CB -0.268 29.432 29.700 0.001 0.000 0.748 1464 E HN 0.664 nan 8.360 nan 0.000 0.449 1465 N N 0.006 118.619 118.700 -0.145 0.000 2.223 1465 N HA -0.191 4.547 4.740 -0.003 0.000 0.185 1465 N C 1.771 177.113 175.510 -0.280 0.000 1.016 1465 N CA 0.836 53.776 53.050 -0.182 0.000 0.863 1465 N CB 0.158 38.545 38.487 -0.166 0.000 0.983 1465 N HN 0.021 nan 8.380 nan 0.000 0.429 1466 E N 0.378 120.303 120.200 -0.459 0.000 2.112 1466 E HA 0.005 4.353 4.350 -0.003 0.000 0.190 1466 E C 1.685 178.102 176.600 -0.305 0.000 0.979 1466 E CA 0.657 56.753 56.400 -0.507 0.000 0.814 1466 E CB 0.005 29.167 29.700 -0.897 0.000 0.762 1466 E HN 0.314 nan 8.360 nan 0.000 0.460 1467 L N 0.410 121.483 121.223 -0.249 0.000 2.275 1467 L HA -0.097 4.241 4.340 -0.003 0.000 0.215 1467 L C 2.208 179.005 176.870 -0.121 0.000 1.119 1467 L CA 0.813 55.549 54.840 -0.175 0.000 0.790 1467 L CB -0.116 41.859 42.059 -0.139 0.000 0.919 1467 L HN 0.123 nan 8.230 nan 0.000 0.443 1468 E N 0.392 120.523 120.200 -0.115 0.000 2.046 1468 E HA -0.143 4.205 4.350 -0.003 0.000 0.190 1468 E C 2.212 178.772 176.600 -0.067 0.000 0.982 1468 E CA 1.368 57.723 56.400 -0.076 0.000 0.800 1468 E CB -0.161 29.497 29.700 -0.071 0.000 0.756 1468 E HN 0.343 nan 8.360 nan 0.000 0.449 1469 A N 0.127 122.894 122.820 -0.089 0.000 2.070 1469 A HA -0.114 4.204 4.320 -0.003 0.000 0.220 1469 A C 2.101 179.665 177.584 -0.034 0.000 1.159 1469 A CA 1.127 53.126 52.037 -0.063 0.000 0.656 1469 A CB -0.513 18.437 19.000 -0.084 0.000 0.800 1469 A HN 0.329 nan 8.150 nan 0.000 0.453 1470 L N -0.477 120.713 121.223 -0.055 0.000 2.109 1470 L HA -0.033 4.305 4.340 -0.003 0.000 0.207 1470 L C 2.179 179.072 176.870 0.039 0.000 1.086 1470 L CA 1.933 56.760 54.840 -0.022 0.000 0.760 1470 L CB -0.372 41.622 42.059 -0.108 0.000 0.910 1470 L HN 0.294 nan 8.230 nan 0.000 0.437 1471 K N -0.704 119.700 120.400 0.006 0.000 2.063 1471 K HA -0.148 4.170 4.320 -0.003 0.000 0.208 1471 K C 2.020 178.643 176.600 0.038 0.000 1.048 1471 K CA 1.568 57.870 56.287 0.025 0.000 0.928 1471 K CB -0.299 32.202 32.500 0.001 0.000 0.713 1471 K HN 0.309 nan 8.250 nan 0.000 0.442 1472 L N 0.823 122.059 121.223 0.022 0.000 2.275 1472 L HA -0.159 4.179 4.340 -0.003 0.000 0.215 1472 L C 2.043 178.932 176.870 0.031 0.000 1.119 1472 L CA 1.090 55.941 54.840 0.018 0.000 0.790 1472 L CB -0.196 41.865 42.059 0.003 0.000 0.919 1472 L HN 0.265 nan 8.230 nan 0.000 0.443 1473 E N -0.132 120.110 120.200 0.070 0.000 2.122 1473 E HA -0.089 4.259 4.350 -0.003 0.000 0.190 1473 E C 2.272 178.907 176.600 0.058 0.000 0.977 1473 E CA 0.892 57.343 56.400 0.086 0.000 0.820 1473 E CB 0.020 29.834 29.700 0.190 0.000 0.770 1473 E HN 0.453 nan 8.360 nan 0.000 0.462 1474 A N 1.402 124.318 122.820 0.160 0.000 1.968 1474 A HA -0.133 4.185 4.320 -0.003 0.000 0.217 1474 A C 1.785 179.383 177.584 0.024 0.000 1.169 1474 A CA 0.828 52.931 52.037 0.111 0.000 0.638 1474 A CB -0.211 18.950 19.000 0.268 0.000 0.812 1474 A HN 0.086 nan 8.150 nan 0.000 0.446 1475 E N -1.024 119.193 120.200 0.028 0.000 2.515 1475 E HA -0.091 4.257 4.350 -0.003 0.000 0.201 1475 E C 1.310 177.904 176.600 -0.010 0.000 1.071 1475 E CA 0.616 57.020 56.400 0.008 0.000 0.880 1475 E CB 0.116 29.823 29.700 0.010 0.000 0.828 1475 E HN 0.758 nan 8.360 nan 0.000 0.540 1476 E N -0.962 119.222 120.200 -0.026 0.000 2.608 1476 E HA 0.069 4.417 4.350 -0.003 0.000 0.204 1476 E C 1.319 177.886 176.600 -0.055 0.000 0.884 1476 E CA 0.087 56.467 56.400 -0.033 0.000 1.533 1476 E CB 0.712 30.397 29.700 -0.025 0.000 1.559 1476 E HN 0.147 nan 8.360 nan 0.000 0.864 1477 I N 0.733 121.249 120.570 -0.090 0.000 4.530 1477 I HA 0.177 4.345 4.170 -0.003 0.000 0.318 1477 I C -1.817 174.200 176.117 -0.167 0.000 1.257 1477 I CA -0.458 60.769 61.300 -0.121 0.000 1.301 1477 I CB 0.534 38.457 38.000 -0.128 0.000 1.297 1477 I HN -0.060 nan 8.210 nan 0.000 0.451 1478 P HA 0.328 nan 4.420 nan 0.000 0.284 1478 P C -0.347 176.880 177.300 -0.121 0.000 1.258 1478 P CA -0.070 62.880 63.100 -0.250 0.000 0.824 1478 P CB 1.164 32.611 31.700 -0.422 0.000 1.038 1479 S N 0.038 115.684 115.700 -0.089 0.000 2.546 1479 S HA 0.099 4.567 4.470 -0.003 0.000 0.265 1479 S C 1.061 175.649 174.600 -0.020 0.000 1.190 1479 S CA -0.671 57.502 58.200 -0.046 0.000 1.014 1479 S CB 0.094 63.272 63.200 -0.037 0.000 1.087 1479 S HN 0.568 nan 8.310 nan 0.000 0.525 1480 E N 1.033 121.228 120.200 -0.008 0.000 2.502 1480 E HA -0.077 4.271 4.350 -0.003 0.000 0.194 1480 E C -0.263 176.346 176.600 0.016 0.000 1.062 1480 E CA 0.094 56.497 56.400 0.006 0.000 0.867 1480 E CB -0.153 29.549 29.700 0.005 0.000 0.888 1480 E HN 0.555 nan 8.360 nan 0.000 0.510 1481 D N 0.386 120.794 120.400 0.013 0.000 3.038 1481 D HA -0.071 4.567 4.640 -0.003 0.000 0.243 1481 D C 0.823 177.155 176.300 0.053 0.000 1.245 1481 D CA -0.049 53.967 54.000 0.026 0.000 0.871 1481 D CB 0.422 41.232 40.800 0.016 0.000 1.089 1481 D HN 0.138 nan 8.370 nan 0.000 0.464 1482 Q N -0.090 119.751 119.800 0.068 0.000 2.424 1482 Q HA 0.034 4.372 4.340 -0.003 0.000 0.204 1482 Q C 1.261 177.350 176.000 0.149 0.000 0.933 1482 Q CA 0.051 55.931 55.803 0.128 0.000 0.929 1482 Q CB 0.171 28.974 28.738 0.109 0.000 1.037 1482 Q HN 0.144 nan 8.270 nan 0.000 0.511 1483 N N 0.718 119.474 118.700 0.093 0.000 2.166 1483 N HA -0.189 4.549 4.740 -0.003 0.000 0.186 1483 N C 1.187 176.742 175.510 0.075 0.000 1.019 1483 N CA 1.191 54.285 53.050 0.072 0.000 0.856 1483 N CB 0.116 38.634 38.487 0.052 0.000 0.993 1483 N HN 0.365 nan 8.380 nan 0.000 0.426 1484 E N -0.950 119.306 120.200 0.093 0.000 2.276 1484 E HA -0.022 4.326 4.350 -0.003 0.000 0.193 1484 E C 1.465 178.130 176.600 0.108 0.000 0.983 1484 E CA -0.148 56.303 56.400 0.085 0.000 0.861 1484 E CB 0.043 29.784 29.700 0.069 0.000 0.817 1484 E HN 0.203 nan 8.360 nan 0.000 0.485 1485 F N 1.107 121.065 119.950 0.013 0.000 2.171 1485 F HA -0.191 4.334 4.527 -0.003 0.000 0.300 1485 F C 1.686 177.493 175.800 0.013 0.000 1.090 1485 F CA 1.039 59.044 58.000 0.010 0.000 1.293 1485 F CB 0.015 39.016 39.000 0.001 0.000 1.013 1485 F HN 0.033 nan 8.300 nan 0.000 0.486 1486 L N -0.139 121.016 121.223 -0.113 0.000 2.131 1486 L HA -0.117 4.221 4.340 -0.003 0.000 0.206 1486 L C 2.460 179.244 176.870 -0.143 0.000 1.087 1486 L CA 1.192 55.910 54.840 -0.204 0.000 0.767 1486 L CB -1.214 40.820 42.059 -0.042 0.000 0.917 1486 L HN 0.334 nan 8.230 nan 0.000 0.441 1487 L N 0.203 121.401 121.223 -0.041 0.000 1.943 1487 L HA -0.273 4.065 4.340 -0.003 0.000 0.215 1487 L C 2.473 179.362 176.870 0.033 0.000 1.074 1487 L CA 1.654 56.503 54.840 0.015 0.000 0.759 1487 L CB -0.225 41.882 42.059 0.079 0.000 0.888 1487 L HN 0.270 nan 8.230 nan 0.000 0.433 1488 E N -0.677 119.558 120.200 0.057 0.000 2.171 1488 E HA -0.250 4.098 4.350 -0.003 0.000 0.197 1488 E C 2.237 178.843 176.600 0.010 0.000 0.997 1488 E CA 1.073 57.540 56.400 0.112 0.000 0.810 1488 E CB 0.014 29.740 29.700 0.042 0.000 0.738 1488 E HN 0.427 nan 8.360 nan 0.000 0.467 1489 R N -0.185 120.220 120.500 -0.158 0.000 2.064 1489 R HA -0.021 4.317 4.340 -0.003 0.000 0.221 1489 R C 2.694 178.887 176.300 -0.179 0.000 1.136 1489 R CA 1.717 57.683 56.100 -0.222 0.000 0.980 1489 R CB -1.077 28.933 30.300 -0.484 0.000 0.876 1489 R HN 0.323 nan 8.270 nan 0.000 0.437 1490 T N -0.144 114.289 114.554 -0.202 0.000 2.788 1490 T HA -0.172 4.176 4.350 -0.003 0.000 0.268 1490 T C 2.004 176.591 174.700 -0.188 0.000 1.044 1490 T CA 1.300 63.262 62.100 -0.231 0.000 1.139 1490 T CB -0.212 68.526 68.868 -0.217 0.000 0.867 1490 T HN 0.046 nan 8.240 nan 0.000 0.454 1491 R N 1.956 122.403 120.500 -0.088 0.000 2.094 1491 R HA -0.142 4.196 4.340 -0.003 0.000 0.239 1491 R C 2.367 178.659 176.300 -0.014 0.000 1.137 1491 R CA 2.370 58.439 56.100 -0.052 0.000 0.943 1491 R CB -0.974 29.269 30.300 -0.094 0.000 0.850 1491 R HN 0.659 nan 8.270 nan 0.000 0.433 1492 E N -0.381 119.823 120.200 0.006 0.000 2.153 1492 E HA -0.141 4.207 4.350 -0.003 0.000 0.194 1492 E C 1.958 178.596 176.600 0.063 0.000 0.988 1492 E CA 1.520 57.947 56.400 0.046 0.000 0.811 1492 E CB -0.120 29.612 29.700 0.054 0.000 0.746 1492 E HN 0.509 nan 8.360 nan 0.000 0.466 1493 I N -0.008 120.566 120.570 0.006 0.000 2.179 1493 I HA -0.284 3.884 4.170 -0.003 0.000 0.242 1493 I C 2.088 178.308 176.117 0.173 0.000 1.088 1493 I CA 1.491 62.822 61.300 0.052 0.000 1.357 1493 I CB -0.412 37.501 38.000 -0.146 0.000 1.051 1493 I HN 0.272 nan 8.210 nan 0.000 0.409 1494 H N 0.209 119.328 119.070 0.083 0.000 2.423 1494 H HA -0.094 4.460 4.556 -0.003 0.000 0.297 1494 H C 2.095 177.459 175.328 0.060 0.000 1.075 1494 H CA 1.191 57.283 56.048 0.073 0.000 1.342 1494 H CB 0.036 29.812 29.762 0.025 0.000 1.395 1494 H HN 0.398 nan 8.280 nan 0.000 0.530 1495 N N 0.638 119.434 118.700 0.161 0.000 2.013 1495 N HA -0.180 4.558 4.740 -0.003 0.000 0.195 1495 N C 1.628 177.190 175.510 0.087 0.000 1.051 1495 N CA 1.404 54.510 53.050 0.093 0.000 0.851 1495 N CB 0.014 38.539 38.487 0.065 0.000 1.044 1495 N HN 0.432 nan 8.380 nan 0.000 0.422 1496 E N 0.685 120.953 120.200 0.112 0.000 2.130 1496 E HA -0.247 4.101 4.350 -0.003 0.000 0.196 1496 E C 2.023 178.607 176.600 -0.027 0.000 0.998 1496 E CA 1.047 57.484 56.400 0.061 0.000 0.806 1496 E CB -0.161 29.642 29.700 0.172 0.000 0.738 1496 E HN 0.423 nan 8.360 nan 0.000 0.459 1497 A N 1.761 124.656 122.820 0.125 0.000 1.858 1497 A HA -0.237 4.081 4.320 -0.003 0.000 0.216 1497 A C 2.037 179.632 177.584 0.017 0.000 1.190 1497 A CA 1.396 53.492 52.037 0.098 0.000 0.617 1497 A CB -0.382 18.805 19.000 0.313 0.000 0.827 1497 A HN 0.136 nan 8.150 nan 0.000 0.443 1498 E N -0.496 119.731 120.200 0.045 0.000 2.153 1498 E HA -0.141 4.207 4.350 -0.003 0.000 0.194 1498 E C 2.281 178.875 176.600 -0.011 0.000 0.988 1498 E CA 1.120 57.528 56.400 0.014 0.000 0.811 1498 E CB -0.182 29.529 29.700 0.019 0.000 0.746 1498 E HN 0.583 nan 8.360 nan 0.000 0.466 1499 S N 0.703 116.391 115.700 -0.020 0.000 2.368 1499 S HA -0.202 4.266 4.470 -0.003 0.000 0.225 1499 S C 1.947 176.503 174.600 -0.072 0.000 1.030 1499 S CA 1.243 59.420 58.200 -0.039 0.000 0.999 1499 S CB -0.004 63.174 63.200 -0.037 0.000 0.844 1499 S HN 0.243 nan 8.310 nan 0.000 0.459 1500 Q N 0.093 119.819 119.800 -0.124 0.000 2.124 1500 Q HA -0.073 4.265 4.340 -0.003 0.000 0.202 1500 Q C 2.283 178.228 176.000 -0.092 0.000 0.977 1500 Q CA 1.435 57.143 55.803 -0.159 0.000 0.850 1500 Q CB -0.288 28.276 28.738 -0.291 0.000 0.901 1500 Q HN 0.522 nan 8.270 nan 0.000 0.429 1501 L N 0.247 121.434 121.223 -0.061 0.000 2.056 1501 L HA -0.158 4.180 4.340 -0.003 0.000 0.207 1501 L C 2.415 179.280 176.870 -0.009 0.000 1.078 1501 L CA 1.014 55.840 54.840 -0.023 0.000 0.749 1501 L CB 0.011 42.066 42.059 -0.008 0.000 0.901 1501 L HN 0.024 nan 8.230 nan 0.000 0.433 1502 R N -0.130 120.361 120.500 -0.014 0.000 2.096 1502 R HA -0.073 4.265 4.340 -0.003 0.000 0.235 1502 R C 2.120 178.410 176.300 -0.016 0.000 1.127 1502 R CA 1.462 57.557 56.100 -0.007 0.000 0.968 1502 R CB -0.695 29.600 30.300 -0.009 0.000 0.861 1502 R HN 0.495 nan 8.270 nan 0.000 0.440 1503 A N -0.516 122.284 122.820 -0.034 0.000 2.016 1503 A HA 0.104 4.422 4.320 -0.003 0.000 0.217 1503 A C 2.176 179.734 177.584 -0.044 0.000 1.162 1503 A CA 1.296 53.303 52.037 -0.050 0.000 0.662 1503 A CB -0.536 18.423 19.000 -0.068 0.000 0.812 1503 A HN 0.354 nan 8.150 nan 0.000 0.450 1504 A N -0.436 122.379 122.820 -0.008 0.000 1.897 1504 A HA -0.147 4.171 4.320 -0.003 0.000 0.215 1504 A C 2.086 179.732 177.584 0.103 0.000 1.181 1504 A CA 1.388 53.461 52.037 0.060 0.000 0.620 1504 A CB -0.559 18.495 19.000 0.090 0.000 0.821 1504 A HN 0.592 nan 8.150 nan 0.000 0.443 1505 Q N -0.766 119.073 119.800 0.066 0.000 2.077 1505 Q HA -0.316 4.022 4.340 -0.003 0.000 0.206 1505 Q C 2.322 178.352 176.000 0.051 0.000 0.989 1505 Q CA 2.032 57.876 55.803 0.067 0.000 0.853 1505 Q CB -0.248 28.513 28.738 0.039 0.000 0.907 1505 Q HN 0.857 nan 8.270 nan 0.000 0.418 1506 Q N 0.664 120.466 119.800 0.002 0.000 2.020 1506 Q HA -0.279 4.059 4.340 -0.003 0.000 0.202 1506 Q C 2.158 178.111 176.000 -0.077 0.000 0.982 1506 Q CA 1.835 57.617 55.803 -0.036 0.000 0.838 1506 Q CB -0.002 28.699 28.738 -0.062 0.000 0.899 1506 Q HN 0.252 nan 8.270 nan 0.000 0.423 1507 Q N -0.666 119.046 119.800 -0.148 0.000 2.170 1507 Q HA -0.169 4.169 4.340 -0.003 0.000 0.203 1507 Q C 0.854 176.596 176.000 -0.431 0.000 0.976 1507 Q CA 2.062 57.646 55.803 -0.364 0.000 0.858 1507 Q CB -0.291 28.129 28.738 -0.529 0.000 0.907 1507 Q HN 0.572 nan 8.270 nan 0.000 0.433 1508 W N -2.127 119.184 121.300 0.018 0.000 2.975 1508 W HA 0.446 5.104 4.660 -0.003 0.000 0.316 1508 W C 1.662 178.178 176.519 -0.005 0.000 1.131 1508 W CA -0.025 57.322 57.345 0.002 0.000 1.624 1508 W CB 0.632 30.046 29.460 -0.077 0.000 1.038 1508 W HN 0.249 nan 8.180 nan 0.000 0.571 1509 G N -0.211 108.724 108.800 0.225 0.000 2.865 1509 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.204 1509 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.204 1509 G C 1.217 176.248 174.900 0.218 0.000 1.140 1509 G CA 0.295 45.484 45.100 0.149 0.000 0.842 1509 G HN 0.021 nan 8.290 nan 0.000 0.631 1510 N N 0.764 119.538 118.700 0.124 0.000 2.258 1510 N HA -0.022 4.716 4.740 -0.003 0.000 0.183 1510 N C 0.224 175.696 175.510 -0.062 0.000 1.029 1510 N CA 0.919 53.998 53.050 0.047 0.000 0.857 1510 N CB 0.326 38.806 38.487 -0.012 0.000 1.008 1510 N HN 0.060 nan 8.380 nan 0.000 0.433 1511 D N 0.664 120.966 120.400 -0.163 0.000 2.593 1511 D HA 0.078 4.716 4.640 -0.003 0.000 0.241 1511 D C 0.975 176.966 176.300 -0.516 0.000 1.257 1511 D CA -0.299 53.411 54.000 -0.483 0.000 0.828 1511 D CB -0.110 40.479 40.800 -0.351 0.000 1.049 1511 D HN 0.280 nan 8.370 nan 0.000 0.490 1512 F N 0.276 120.063 119.950 -0.272 0.000 2.373 1512 F HA -0.196 4.329 4.527 -0.003 0.000 0.300 1512 F C 1.649 177.404 175.800 -0.076 0.000 1.080 1512 F CA 0.603 58.514 58.000 -0.148 0.000 1.417 1512 F CB -0.910 38.129 39.000 0.065 0.000 1.070 1512 F HN 0.014 nan 8.300 nan 0.000 0.546 1513 Y N -1.145 118.733 120.300 -0.703 0.000 2.444 1513 Y HA 0.423 4.971 4.550 -0.003 0.000 0.249 1513 Y C 1.950 177.687 175.900 -0.272 0.000 1.134 1513 Y CA -0.970 56.843 58.100 -0.478 0.000 1.261 1513 Y CB -0.887 37.154 38.460 -0.698 0.000 1.143 1513 Y HN -0.017 nan 8.280 nan 0.000 0.523 1514 K N 1.237 121.298 120.400 -0.566 0.000 2.020 1514 K HA -0.194 4.124 4.320 -0.003 0.000 0.212 1514 K C 1.262 177.763 176.600 -0.164 0.000 1.050 1514 K CA 1.833 57.904 56.287 -0.361 0.000 0.929 1514 K CB -0.012 32.257 32.500 -0.385 0.000 0.714 1514 K HN 0.191 nan 8.250 nan 0.000 0.443 1515 R N 0.805 121.217 120.500 -0.147 0.000 2.335 1515 R HA 0.087 4.424 4.340 -0.003 0.000 0.223 1515 R C -0.601 175.675 176.300 -0.040 0.000 0.940 1515 R CA 0.135 56.183 56.100 -0.087 0.000 1.086 1515 R CB -0.061 30.184 30.300 -0.092 0.000 1.073 1515 R HN 0.153 nan 8.270 nan 0.000 0.504 1516 D N -0.571 119.819 120.400 -0.016 0.000 2.233 1516 D HA 0.197 4.835 4.640 -0.003 0.000 0.240 1516 D C -1.973 174.347 176.300 0.034 0.000 1.074 1516 D CA -2.362 51.657 54.000 0.032 0.000 0.838 1516 D CB 1.957 42.806 40.800 0.081 0.000 1.124 1516 D HN -0.101 nan 8.370 nan 0.000 0.475 1517 P HA 0.205 nan 4.420 nan 0.000 0.255 1517 P C 0.564 177.901 177.300 0.062 0.000 1.248 1517 P CA 0.273 63.389 63.100 0.026 0.000 0.807 1517 P CB 0.474 32.174 31.700 0.001 0.000 1.150 1518 R N -0.606 119.938 120.500 0.074 0.000 2.308 1518 R HA 0.314 4.652 4.340 -0.003 0.000 0.202 1518 R C 0.489 176.828 176.300 0.066 0.000 0.898 1518 R CA 0.151 56.301 56.100 0.084 0.000 1.046 1518 R CB 0.320 30.679 30.300 0.098 0.000 1.026 1518 R HN 0.194 nan 8.270 nan 0.000 0.512 1519 I N 1.625 122.228 120.570 0.054 0.000 2.354 1519 I HA 0.335 4.503 4.170 -0.003 0.000 0.286 1519 I C 0.094 176.204 176.117 -0.013 0.000 1.007 1519 I CA -0.936 60.376 61.300 0.020 0.000 1.167 1519 I CB 1.605 39.629 38.000 0.039 0.000 1.320 1519 I HN -0.007 nan 8.210 nan 0.000 0.458 1520 A N 8.261 131.056 122.820 -0.043 0.000 2.406 1520 A HA 0.393 4.711 4.320 -0.003 0.000 0.243 1520 A C -1.689 175.831 177.584 -0.107 0.000 1.082 1520 A CA -0.950 51.060 52.037 -0.045 0.000 0.786 1520 A CB -0.085 18.899 19.000 -0.027 0.000 1.029 1520 A HN 0.524 nan 8.150 nan 0.000 0.495 1521 P HA -0.145 nan 4.420 nan 0.000 0.215 1521 P C 1.665 178.873 177.300 -0.152 0.000 1.157 1521 P CA 0.751 63.820 63.100 -0.052 0.000 0.868 1521 P CB 0.029 31.727 31.700 -0.004 0.000 0.788 1522 L N -1.168 119.988 121.223 -0.111 0.000 2.017 1522 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 1522 L C 2.713 179.489 176.870 -0.156 0.000 1.073 1522 L CA 1.602 56.376 54.840 -0.110 0.000 0.745 1522 L CB -0.368 41.647 42.059 -0.074 0.000 0.894 1522 L HN -0.094 nan 8.230 nan 0.000 0.432 1523 R N -0.104 120.294 120.500 -0.170 0.000 2.097 1523 R HA -0.185 4.153 4.340 -0.003 0.000 0.236 1523 R C 2.050 178.170 176.300 -0.299 0.000 1.135 1523 R CA 1.880 57.871 56.100 -0.180 0.000 0.934 1523 R CB -1.181 29.030 30.300 -0.148 0.000 0.846 1523 R HN 0.499 nan 8.270 nan 0.000 0.431 1524 G N -0.323 108.095 108.800 -0.636 0.000 2.421 1524 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.217 1524 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.217 1524 G C 1.583 175.942 174.900 -0.903 0.000 1.143 1524 G CA 0.781 45.132 45.100 -1.248 0.000 0.784 1524 G HN 0.465 nan 8.290 nan 0.000 0.541 1525 A N 0.940 123.426 122.820 -0.558 0.000 1.892 1525 A HA -0.032 4.286 4.320 -0.003 0.000 0.218 1525 A C 2.411 179.990 177.584 -0.008 0.000 1.188 1525 A CA 1.505 53.464 52.037 -0.131 0.000 0.631 1525 A CB -0.481 18.482 19.000 -0.062 0.000 0.822 1525 A HN 0.360 nan 8.150 nan 0.000 0.447 1526 L N -1.111 120.079 121.223 -0.055 0.000 2.072 1526 L HA -0.102 4.236 4.340 -0.003 0.000 0.205 1526 L C 3.055 179.938 176.870 0.022 0.000 1.079 1526 L CA 0.860 55.700 54.840 0.001 0.000 0.752 1526 L CB -0.588 41.446 42.059 -0.042 0.000 0.906 1526 L HN 0.423 nan 8.230 nan 0.000 0.436 1527 A N 0.347 123.156 122.820 -0.018 0.000 2.024 1527 A HA -0.242 4.076 4.320 -0.003 0.000 0.220 1527 A C 2.434 180.110 177.584 0.153 0.000 1.164 1527 A CA 2.202 54.285 52.037 0.077 0.000 0.643 1527 A CB -0.985 18.099 19.000 0.140 0.000 0.806 1527 A HN 0.537 nan 8.150 nan 0.000 0.451 1528 T N -3.728 110.912 114.554 0.144 0.000 2.929 1528 T HA -0.151 4.197 4.350 -0.003 0.000 0.271 1528 T C 1.220 175.725 174.700 -0.326 0.000 1.085 1528 T CA 1.476 63.600 62.100 0.040 0.000 1.125 1528 T CB -0.533 68.303 68.868 -0.055 0.000 0.874 1528 T HN 0.521 nan 8.240 nan 0.000 0.494 1529 Y N 1.043 121.359 120.300 0.027 0.000 2.524 1529 Y HA 0.513 5.061 4.550 -0.003 0.000 0.266 1529 Y C 1.825 177.672 175.900 -0.088 0.000 1.180 1529 Y CA -0.645 57.426 58.100 -0.049 0.000 1.244 1529 Y CB 0.019 38.376 38.460 -0.171 0.000 1.125 1529 Y HN 0.362 nan 8.280 nan 0.000 0.524 1530 G N 0.816 109.634 108.800 0.030 0.000 2.147 1530 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.244 1530 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.244 1530 G C -0.243 174.649 174.900 -0.013 0.000 1.005 1530 G CA -0.117 44.993 45.100 0.017 0.000 0.713 1530 G HN 0.283 nan 8.290 nan 0.000 0.515 1531 L N 1.124 122.321 121.223 -0.043 0.000 2.309 1531 L HA 0.671 5.009 4.340 -0.003 0.000 0.282 1531 L C 1.208 178.064 176.870 -0.025 0.000 1.036 1531 L CA -0.268 54.530 54.840 -0.070 0.000 0.806 1531 L CB 1.699 43.669 42.059 -0.148 0.000 1.220 1531 L HN 0.369 nan 8.230 nan 0.000 0.429 1532 T N -0.900 113.648 114.554 -0.010 0.000 2.912 1532 T HA 0.281 4.629 4.350 -0.003 0.000 0.280 1532 T C 1.376 176.074 174.700 -0.003 0.000 0.989 1532 T CA -0.777 61.324 62.100 0.001 0.000 0.995 1532 T CB 1.135 70.015 68.868 0.019 0.000 1.077 1532 T HN 0.363 nan 8.240 nan 0.000 0.531 1533 I N 0.808 121.374 120.570 -0.007 0.000 2.335 1533 I HA -0.130 4.038 4.170 -0.003 0.000 0.251 1533 I C 1.777 177.897 176.117 0.006 0.000 1.129 1533 I CA 1.499 62.791 61.300 -0.012 0.000 1.402 1533 I CB -0.935 37.052 38.000 -0.021 0.000 1.069 1533 I HN 0.739 nan 8.210 nan 0.000 0.424 1534 D N 0.527 120.943 120.400 0.027 0.000 2.350 1534 D HA -0.140 4.498 4.640 -0.003 0.000 0.216 1534 D C 1.437 177.773 176.300 0.061 0.000 0.968 1534 D CA 0.730 54.757 54.000 0.045 0.000 0.894 1534 D CB -0.004 40.856 40.800 0.100 0.000 0.909 1534 D HN 0.374 nan 8.370 nan 0.000 0.520 1535 D N 0.249 120.677 120.400 0.047 0.000 2.289 1535 D HA -0.040 4.598 4.640 -0.003 0.000 0.207 1535 D C 0.985 177.316 176.300 0.052 0.000 0.966 1535 D CA -0.062 53.971 54.000 0.056 0.000 0.868 1535 D CB 0.121 40.936 40.800 0.025 0.000 0.943 1535 D HN 0.146 nan 8.370 nan 0.000 0.514 1536 L N 1.498 122.738 121.223 0.028 0.000 2.704 1536 L HA 0.147 4.485 4.340 -0.003 0.000 0.279 1536 L C 1.395 178.293 176.870 0.047 0.000 1.147 1536 L CA 0.067 54.921 54.840 0.022 0.000 0.994 1536 L CB 0.427 42.484 42.059 -0.002 0.000 1.332 1536 L HN -0.099 nan 8.230 nan 0.000 0.471 1537 G N 3.810 112.652 108.800 0.070 0.000 2.411 1537 G HA2 0.079 4.037 3.960 -0.003 0.000 0.213 1537 G HA3 0.079 4.037 3.960 -0.003 0.000 0.213 1537 G C 0.293 175.246 174.900 0.088 0.000 1.166 1537 G CA 0.220 45.380 45.100 0.100 0.000 0.802 1537 G HN 0.386 nan 8.290 nan 0.000 0.533 1538 V N 0.749 120.700 119.914 0.062 0.000 2.513 1538 V HA 0.719 4.837 4.120 -0.003 0.000 0.299 1538 V C -0.300 175.797 176.094 0.004 0.000 1.035 1538 V CA -0.829 61.500 62.300 0.048 0.000 0.889 1538 V CB 1.582 33.436 31.823 0.051 0.000 0.988 1538 V HN 0.388 nan 8.190 nan 0.000 0.440 1539 A N 2.869 125.685 122.820 -0.006 0.000 2.267 1539 A HA 0.609 4.927 4.320 -0.003 0.000 0.315 1539 A C 0.116 177.640 177.584 -0.100 0.000 1.297 1539 A CA -0.314 51.656 52.037 -0.112 0.000 0.865 1539 A CB 1.045 19.918 19.000 -0.211 0.000 1.165 1539 A HN 0.723 nan 8.150 nan 0.000 0.513 1540 S N 3.106 118.741 115.700 -0.109 0.000 2.416 1540 S HA 0.460 4.928 4.470 -0.003 0.000 0.302 1540 S C -0.360 174.192 174.600 -0.080 0.000 1.120 1540 S CA -0.217 57.950 58.200 -0.056 0.000 1.067 1540 S CB -0.901 62.293 63.200 -0.010 0.000 1.057 1540 S HN 0.369 nan 8.310 nan 0.000 0.518 1541 F N 3.397 123.209 119.950 -0.231 0.000 2.410 1541 F HA 0.258 4.783 4.527 -0.003 0.000 0.334 1541 F C 1.729 177.567 175.800 0.065 0.000 1.134 1541 F CA -0.188 57.749 58.000 -0.105 0.000 1.227 1541 F CB 0.482 39.345 39.000 -0.229 0.000 1.194 1541 F HN 0.662 nan 8.300 nan 0.000 0.571 1542 H N 2.275 121.457 119.070 0.187 0.000 2.267 1542 H HA -0.005 4.549 4.556 -0.003 0.000 0.297 1542 H C 1.451 176.867 175.328 0.146 0.000 1.080 1542 H CA 1.202 57.317 56.048 0.111 0.000 1.278 1542 H CB -0.674 29.148 29.762 0.099 0.000 1.365 1542 H HN 0.723 nan 8.280 nan 0.000 0.489 1543 G N 0.100 109.082 108.800 0.303 0.000 2.325 1543 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.274 1543 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.274 1543 G C 0.902 175.845 174.900 0.071 0.000 0.921 1543 G CA 0.752 46.044 45.100 0.320 0.000 1.340 1543 G HN 0.557 nan 8.290 nan 0.000 0.447 1544 T N -0.245 114.272 114.554 -0.061 0.000 2.951 1544 T HA 0.156 4.504 4.350 -0.003 0.000 0.268 1544 T C 1.784 176.517 174.700 0.056 0.000 1.073 1544 T CA 1.808 63.827 62.100 -0.135 0.000 1.134 1544 T CB -0.018 68.755 68.868 -0.158 0.000 0.884 1544 T HN 2.013 nan 8.240 nan 0.000 0.479 1545 S N 0.675 116.402 115.700 0.046 0.000 3.034 1545 S HA -0.141 4.327 4.470 -0.003 0.000 0.273 1545 S C 0.312 174.936 174.600 0.040 0.000 1.337 1545 S CA 0.695 58.917 58.200 0.037 0.000 0.994 1545 S CB -2.175 61.067 63.200 0.071 0.000 1.228 1545 S HN 0.817 nan 8.310 nan 0.000 0.696 1546 T N -0.610 113.975 114.554 0.052 0.000 2.934 1546 T HA 0.621 4.969 4.350 -0.003 0.000 0.283 1546 T C 0.887 175.586 174.700 -0.001 0.000 1.005 1546 T CA -0.329 61.798 62.100 0.046 0.000 1.041 1546 T CB 1.504 70.425 68.868 0.088 0.000 1.042 1546 T HN 0.253 nan 8.240 nan 0.000 0.505 1547 K N 0.662 121.057 120.400 -0.009 0.000 2.031 1547 K HA 0.064 4.382 4.320 -0.003 0.000 0.205 1547 K C 2.618 179.205 176.600 -0.022 0.000 1.049 1547 K CA 1.160 57.434 56.287 -0.023 0.000 0.939 1547 K CB -0.653 31.834 32.500 -0.022 0.000 0.717 1547 K HN 0.735 nan 8.250 nan 0.000 0.438 1548 A N 1.674 124.483 122.820 -0.018 0.000 1.859 1548 A HA -0.347 3.971 4.320 -0.003 0.000 0.218 1548 A C 1.944 179.494 177.584 -0.056 0.000 1.209 1548 A CA 2.453 54.473 52.037 -0.029 0.000 0.639 1548 A CB -1.228 17.754 19.000 -0.029 0.000 0.835 1548 A HN 0.487 nan 8.150 nan 0.000 0.450 1549 N N -0.627 118.033 118.700 -0.066 0.000 2.013 1549 N HA -0.191 4.547 4.740 -0.003 0.000 0.195 1549 N C 1.342 176.784 175.510 -0.112 0.000 1.051 1549 N CA 1.940 54.917 53.050 -0.121 0.000 0.851 1549 N CB -0.275 38.161 38.487 -0.084 0.000 1.044 1549 N HN 0.415 nan 8.380 nan 0.000 0.422 1550 D N -0.031 120.340 120.400 -0.049 0.000 2.133 1550 D HA -0.191 4.447 4.640 -0.003 0.000 0.195 1550 D C 1.744 178.024 176.300 -0.033 0.000 0.997 1550 D CA 1.025 55.015 54.000 -0.017 0.000 0.840 1550 D CB -0.236 40.532 40.800 -0.053 0.000 0.947 1550 D HN 0.427 nan 8.370 nan 0.000 0.452 1551 K N 0.502 120.878 120.400 -0.039 0.000 2.001 1551 K HA -0.188 4.130 4.320 -0.003 0.000 0.208 1551 K C 1.925 178.479 176.600 -0.077 0.000 1.048 1551 K CA 1.361 57.639 56.287 -0.016 0.000 0.932 1551 K CB -0.112 32.420 32.500 0.053 0.000 0.715 1551 K HN -0.058 nan 8.250 nan 0.000 0.437 1552 N N 1.037 119.692 118.700 -0.075 0.000 2.021 1552 N HA -0.288 4.450 4.740 -0.003 0.000 0.198 1552 N C 1.756 177.173 175.510 -0.154 0.000 1.041 1552 N CA 2.305 55.295 53.050 -0.100 0.000 0.862 1552 N CB -0.254 38.154 38.487 -0.133 0.000 1.048 1552 N HN 0.396 nan 8.380 nan 0.000 0.427 1553 E N -0.646 119.415 120.200 -0.231 0.000 2.097 1553 E HA -0.185 4.163 4.350 -0.003 0.000 0.196 1553 E C 1.802 178.446 176.600 0.072 0.000 1.000 1553 E CA 1.430 57.727 56.400 -0.171 0.000 0.804 1553 E CB -0.180 29.437 29.700 -0.139 0.000 0.740 1553 E HN 0.394 nan 8.360 nan 0.000 0.454 1554 S N 0.111 115.840 115.700 0.048 0.000 2.348 1554 S HA -0.192 4.276 4.470 -0.003 0.000 0.221 1554 S C 2.018 176.291 174.600 -0.545 0.000 1.033 1554 S CA 1.058 59.195 58.200 -0.104 0.000 1.010 1554 S CB -0.395 62.600 63.200 -0.341 0.000 0.891 1554 S HN 0.514 nan 8.310 nan 0.000 0.442 1555 A N 0.906 123.231 122.820 -0.825 0.000 1.873 1555 A HA -0.217 4.101 4.320 -0.003 0.000 0.218 1555 A C 2.377 179.938 177.584 -0.038 0.000 1.193 1555 A CA 2.619 54.449 52.037 -0.346 0.000 0.629 1555 A CB -1.619 17.417 19.000 0.060 0.000 0.826 1555 A HN 0.574 nan 8.150 nan 0.000 0.447 1556 T N -1.230 113.308 114.554 -0.026 0.000 2.777 1556 T HA -0.101 4.247 4.350 -0.003 0.000 0.266 1556 T C 1.780 176.489 174.700 0.014 0.000 1.040 1556 T CA 1.544 63.664 62.100 0.032 0.000 1.141 1556 T CB -0.393 68.534 68.868 0.099 0.000 0.868 1556 T HN 0.225 nan 8.240 nan 0.000 0.444 1557 I N 2.049 122.615 120.570 -0.007 0.000 2.286 1557 I HA -0.072 4.096 4.170 -0.003 0.000 0.248 1557 I C 2.472 178.595 176.117 0.011 0.000 1.115 1557 I CA 1.372 62.649 61.300 -0.039 0.000 1.392 1557 I CB -1.670 36.262 38.000 -0.113 0.000 1.065 1557 I HN 0.410 nan 8.210 nan 0.000 0.418 1558 N N 1.034 119.770 118.700 0.060 0.000 2.104 1558 N HA -0.248 4.490 4.740 -0.003 0.000 0.190 1558 N C 1.811 177.344 175.510 0.038 0.000 1.024 1558 N CA 1.526 54.662 53.050 0.144 0.000 0.853 1558 N CB 0.053 38.746 38.487 0.343 0.000 1.008 1558 N HN 0.165 nan 8.380 nan 0.000 0.424 1559 E N 0.082 120.309 120.200 0.045 0.000 2.072 1559 E HA -0.084 4.264 4.350 -0.003 0.000 0.190 1559 E C 1.990 178.578 176.600 -0.019 0.000 0.982 1559 E CA 1.210 57.618 56.400 0.014 0.000 0.803 1559 E CB -0.210 29.509 29.700 0.032 0.000 0.755 1559 E HN 0.626 nan 8.360 nan 0.000 0.453 1560 M N -1.403 118.185 119.600 -0.021 0.000 2.279 1560 M HA -0.089 4.389 4.480 -0.003 0.000 0.264 1560 M C 1.671 177.941 176.300 -0.049 0.000 1.062 1560 M CA 1.236 56.527 55.300 -0.015 0.000 1.099 1560 M CB -0.262 32.321 32.600 -0.028 0.000 1.394 1560 M HN 0.015 nan 8.290 nan 0.000 0.426 1561 M N 1.025 120.552 119.600 -0.123 0.000 2.193 1561 M HA 0.007 4.485 4.480 -0.003 0.000 0.265 1561 M C 2.198 178.252 176.300 -0.410 0.000 1.071 1561 M CA 1.533 56.697 55.300 -0.226 0.000 1.140 1561 M CB -0.998 31.467 32.600 -0.224 0.000 1.369 1561 M HN 0.389 nan 8.290 nan 0.000 0.423 1562 K N -0.795 119.308 120.400 -0.495 0.000 2.026 1562 K HA -0.232 4.086 4.320 -0.003 0.000 0.208 1562 K C 2.113 178.636 176.600 -0.129 0.000 1.048 1562 K CA 1.601 57.608 56.287 -0.466 0.000 0.929 1562 K CB -0.170 32.178 32.500 -0.253 0.000 0.713 1562 K HN 0.212 nan 8.250 nan 0.000 0.439 1563 H N 0.576 119.574 119.070 -0.121 0.000 2.353 1563 H HA -0.028 4.526 4.556 -0.003 0.000 0.300 1563 H C 1.620 176.964 175.328 0.026 0.000 1.090 1563 H CA 1.610 57.649 56.048 -0.015 0.000 1.327 1563 H CB -0.047 29.713 29.762 -0.004 0.000 1.383 1563 H HN 0.128 nan 8.280 nan 0.000 0.508 1564 L N -1.200 119.987 121.223 -0.060 0.000 2.554 1564 L HA 0.151 4.489 4.340 -0.003 0.000 0.226 1564 L C 1.282 178.093 176.870 -0.098 0.000 1.137 1564 L CA 0.597 55.382 54.840 -0.093 0.000 0.863 1564 L CB 0.136 42.163 42.059 -0.053 0.000 0.985 1564 L HN 0.618 nan 8.230 nan 0.000 0.451 1565 G N 0.189 108.926 108.800 -0.106 0.000 2.141 1565 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.195 1565 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.195 1565 G C 0.124 175.015 174.900 -0.015 0.000 1.012 1565 G CA -0.615 44.442 45.100 -0.071 0.000 0.696 1565 G HN 0.086 nan 8.290 nan 0.000 0.508 1566 R N 1.023 121.506 120.500 -0.029 0.000 2.538 1566 R HA 0.249 4.587 4.340 -0.003 0.000 0.282 1566 R C 0.790 177.213 176.300 0.205 0.000 1.009 1566 R CA 0.454 56.599 56.100 0.074 0.000 1.063 1566 R CB 0.059 30.407 30.300 0.080 0.000 0.945 1566 R HN 0.365 nan 8.270 nan 0.000 0.414 1567 S N 3.815 119.567 115.700 0.087 0.000 2.546 1567 S HA -0.020 4.448 4.470 -0.003 0.000 0.290 1567 S C 0.074 174.675 174.600 0.002 0.000 1.290 1567 S CA -0.169 58.068 58.200 0.061 0.000 1.069 1567 S CB 0.380 63.637 63.200 0.095 0.000 0.846 1567 S HN 0.358 nan 8.310 nan 0.000 0.495 1568 E N 1.154 121.375 120.200 0.035 0.000 2.480 1568 E HA 0.194 4.542 4.350 -0.003 0.000 0.258 1568 E C 1.233 177.761 176.600 -0.121 0.000 0.984 1568 E CA 0.776 57.121 56.400 -0.090 0.000 0.930 1568 E CB 0.266 29.955 29.700 -0.019 0.000 0.936 1568 E HN 1.013 nan 8.360 nan 0.000 0.466 1569 G N 3.861 112.544 108.800 -0.195 0.000 2.213 1569 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.226 1569 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.226 1569 G C 0.247 174.988 174.900 -0.265 0.000 0.992 1569 G CA 0.009 45.064 45.100 -0.076 0.000 0.632 1569 G HN 0.517 nan 8.290 nan 0.000 0.511 1570 N N 1.876 120.234 118.700 -0.570 0.000 2.816 1570 N HA 0.564 5.302 4.740 -0.003 0.000 0.236 1570 N C -2.601 172.811 175.510 -0.164 0.000 1.076 1570 N CA -1.841 50.795 53.050 -0.689 0.000 0.902 1570 N CB 1.632 39.291 38.487 -1.381 0.000 1.149 1570 N HN 0.200 nan 8.380 nan 0.000 0.506 1571 P HA 0.166 nan 4.420 nan 0.000 0.278 1571 P C -0.507 176.883 177.300 0.151 0.000 1.266 1571 P CA -0.699 62.484 63.100 0.139 0.000 0.807 1571 P CB 0.725 32.527 31.700 0.169 0.000 1.094 1572 V N -1.314 118.686 119.914 0.143 0.000 2.649 1572 V HA 0.390 4.508 4.120 -0.003 0.000 0.292 1572 V C 0.083 176.241 176.094 0.106 0.000 1.055 1572 V CA -0.454 61.915 62.300 0.115 0.000 1.023 1572 V CB 0.041 31.918 31.823 0.090 0.000 0.992 1572 V HN 0.262 nan 8.190 nan 0.000 0.480 1573 I N 4.531 125.166 120.570 0.107 0.000 2.312 1573 I HA 0.509 4.677 4.170 -0.003 0.000 0.291 1573 I C 1.068 177.222 176.117 0.062 0.000 1.031 1573 I CA 0.241 61.594 61.300 0.088 0.000 1.293 1573 I CB 0.932 39.003 38.000 0.118 0.000 1.403 1573 I HN 0.907 nan 8.210 nan 0.000 0.484 1574 G N 6.173 114.979 108.800 0.010 0.000 2.338 1574 G HA2 0.527 4.485 3.960 -0.003 0.000 0.298 1574 G HA3 0.527 4.485 3.960 -0.003 0.000 0.298 1574 G C -0.307 174.458 174.900 -0.225 0.000 1.140 1574 G CA -0.399 44.668 45.100 -0.056 0.000 0.860 1574 G HN 0.508 nan 8.290 nan 0.000 0.470 1575 V N 0.397 120.163 119.914 -0.247 0.000 2.713 1575 V HA 0.835 4.953 4.120 -0.003 0.000 0.307 1575 V C -0.724 175.122 176.094 -0.413 0.000 1.052 1575 V CA -1.177 61.032 62.300 -0.152 0.000 0.967 1575 V CB 1.570 33.418 31.823 0.041 0.000 1.019 1575 V HN 0.537 nan 8.190 nan 0.000 0.459 1576 F N 2.273 122.360 119.950 0.228 0.000 2.593 1576 F HA 0.379 4.904 4.527 -0.003 0.000 0.336 1576 F C 1.324 177.345 175.800 0.368 0.000 1.491 1576 F CA -0.264 57.885 58.000 0.248 0.000 1.114 1576 F CB 1.063 40.158 39.000 0.159 0.000 1.468 1576 F HN 0.734 nan 8.300 nan 0.000 0.579 1577 Q N 1.120 121.159 119.800 0.398 0.000 2.439 1577 Q HA -0.139 4.199 4.340 -0.003 0.000 0.211 1577 Q C 1.291 177.420 176.000 0.216 0.000 0.978 1577 Q CA 1.275 57.266 55.803 0.313 0.000 0.897 1577 Q CB 0.176 29.041 28.738 0.212 0.000 0.956 1577 Q HN 0.289 nan 8.270 nan 0.000 0.483 1578 K N 0.704 121.262 120.400 0.263 0.000 2.360 1578 K HA -0.153 4.165 4.320 -0.003 0.000 0.201 1578 K C 1.710 178.439 176.600 0.216 0.000 1.046 1578 K CA 1.131 57.543 56.287 0.209 0.000 0.945 1578 K CB -0.417 32.156 32.500 0.122 0.000 0.750 1578 K HN 0.513 nan 8.250 nan 0.000 0.464 1579 F N -0.745 119.307 119.950 0.169 0.000 2.293 1579 F HA -0.043 4.482 4.527 -0.003 0.000 0.300 1579 F C 1.734 177.626 175.800 0.153 0.000 1.086 1579 F CA 0.784 58.867 58.000 0.138 0.000 1.375 1579 F CB -0.299 38.768 39.000 0.111 0.000 1.045 1579 F HN -0.113 nan 8.300 nan 0.000 0.516 1580 L N 0.357 121.103 121.223 -0.794 0.000 2.316 1580 L HA 0.030 4.368 4.340 -0.003 0.000 0.207 1580 L C 2.275 179.170 176.870 0.040 0.000 1.070 1580 L CA 1.377 55.845 54.840 -0.620 0.000 0.820 1580 L CB -0.266 41.200 42.059 -0.988 0.000 0.992 1580 L HN 0.432 nan 8.230 nan 0.000 0.466 1581 T N -3.539 111.066 114.554 0.085 0.000 3.037 1581 T HA 0.335 4.683 4.350 -0.003 0.000 0.251 1581 T C 1.056 175.948 174.700 0.319 0.000 1.079 1581 T CA 0.402 62.662 62.100 0.265 0.000 1.067 1581 T CB 0.369 69.414 68.868 0.294 0.000 0.948 1581 T HN 0.462 nan 8.240 nan 0.000 0.496 1582 G N 1.422 110.373 108.800 0.252 0.000 2.750 1582 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.228 1582 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.228 1582 G C -0.696 174.399 174.900 0.325 0.000 1.367 1582 G CA -0.108 45.149 45.100 0.261 0.000 0.871 1582 G HN 0.984 nan 8.290 nan 0.000 0.560 1583 H N 1.419 120.579 119.070 0.149 0.000 2.792 1583 H HA 0.599 5.153 4.556 -0.003 0.000 0.298 1583 H C -2.351 172.947 175.328 -0.050 0.000 1.042 1583 H CA -2.510 53.534 56.048 -0.007 0.000 1.300 1583 H CB 1.622 31.292 29.762 -0.153 0.000 1.431 1583 H HN 0.358 nan 8.280 nan 0.000 0.496 1584 P HA 0.091 nan 4.420 nan 0.000 0.241 1584 P C 0.569 177.706 177.300 -0.272 0.000 1.780 1584 P CA -0.586 62.373 63.100 -0.236 0.000 1.111 1584 P CB 0.656 32.005 31.700 -0.586 0.000 1.852 1585 K N 1.991 122.164 120.400 -0.379 0.000 2.097 1585 K HA -0.284 4.034 4.320 -0.003 0.000 0.217 1585 K C 1.766 178.320 176.600 -0.077 0.000 0.806 1585 K CA 2.558 58.662 56.287 -0.305 0.000 1.017 1585 K CB -2.513 29.910 32.500 -0.128 0.000 0.803 1585 K HN 0.410 nan 8.250 nan 0.000 0.628 1586 G N 0.453 109.202 108.800 -0.085 0.000 2.534 1586 G HA2 0.091 4.049 3.960 -0.003 0.000 0.217 1586 G HA3 0.091 4.049 3.960 -0.003 0.000 0.217 1586 G C 1.601 176.407 174.900 -0.156 0.000 1.128 1586 G CA 0.886 45.927 45.100 -0.098 0.000 0.784 1586 G HN 0.638 nan 8.290 nan 0.000 0.542 1587 A N 0.547 123.210 122.820 -0.262 0.000 2.178 1587 A HA 0.598 4.916 4.320 -0.003 0.000 0.211 1587 A C 2.578 179.828 177.584 -0.557 0.000 1.157 1587 A CA 1.350 53.106 52.037 -0.468 0.000 0.780 1587 A CB -0.294 18.229 19.000 -0.795 0.000 0.828 1587 A HN 0.504 nan 8.150 nan 0.000 0.476 1588 A N 0.316 122.960 122.820 -0.295 0.000 1.852 1588 A HA -0.016 4.302 4.320 -0.003 0.000 0.217 1588 A C 2.453 180.046 177.584 0.015 0.000 1.215 1588 A CA 2.142 54.121 52.037 -0.096 0.000 0.641 1588 A CB -1.615 17.472 19.000 0.145 0.000 0.838 1588 A HN 0.857 nan 8.150 nan 0.000 0.450 1589 G N -0.960 107.865 108.800 0.041 0.000 2.507 1589 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.221 1589 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.221 1589 G C 1.676 176.610 174.900 0.058 0.000 1.119 1589 G CA 1.828 46.956 45.100 0.047 0.000 0.751 1589 G HN 0.943 nan 8.290 nan 0.000 0.574 1590 A N -0.004 122.848 122.820 0.054 0.000 1.872 1590 A HA 0.074 4.391 4.320 -0.003 0.000 0.214 1590 A C 2.149 179.898 177.584 0.275 0.000 1.187 1590 A CA 1.438 53.553 52.037 0.129 0.000 0.614 1590 A CB -0.629 18.459 19.000 0.146 0.000 0.826 1590 A HN 0.395 nan 8.150 nan 0.000 0.442 1591 W N 0.178 121.518 121.300 0.067 0.000 2.321 1591 W HA -0.165 4.493 4.660 -0.003 0.000 0.306 1591 W C 2.372 178.915 176.519 0.039 0.000 1.217 1591 W CA 1.410 58.798 57.345 0.072 0.000 1.257 1591 W CB -1.017 28.502 29.460 0.097 0.000 1.145 1591 W HN 0.322 nan 8.180 nan 0.000 0.509 1592 M N -1.268 118.497 119.600 0.273 0.000 2.319 1592 M HA -0.130 4.348 4.480 -0.003 0.000 0.265 1592 M C 2.102 178.426 176.300 0.039 0.000 1.068 1592 M CA 1.299 56.688 55.300 0.148 0.000 1.118 1592 M CB -0.665 32.016 32.600 0.134 0.000 1.395 1592 M HN -0.121 nan 8.290 nan 0.000 0.435 1593 M N 1.127 120.736 119.600 0.016 0.000 2.175 1593 M HA -0.080 4.398 4.480 -0.003 0.000 0.264 1593 M C 1.466 177.626 176.300 -0.233 0.000 1.063 1593 M CA 1.811 57.062 55.300 -0.082 0.000 1.119 1593 M CB -0.356 32.212 32.600 -0.054 0.000 1.377 1593 M HN 0.083 nan 8.290 nan 0.000 0.415 1594 N N 0.502 119.067 118.700 -0.226 0.000 2.039 1594 N HA -0.044 4.693 4.740 -0.003 0.000 0.193 1594 N C 1.829 177.073 175.510 -0.443 0.000 1.044 1594 N CA 1.884 54.619 53.050 -0.526 0.000 0.847 1594 N CB -1.370 37.025 38.487 -0.153 0.000 1.030 1594 N HN 0.552 nan 8.380 nan 0.000 0.422 1595 G N 0.363 109.075 108.800 -0.148 0.000 2.485 1595 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.221 1595 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.221 1595 G C 1.574 176.386 174.900 -0.147 0.000 1.115 1595 G CA 1.269 46.333 45.100 -0.060 0.000 0.751 1595 G HN 0.483 nan 8.290 nan 0.000 0.567 1596 A N 0.487 123.213 122.820 -0.158 0.000 1.897 1596 A HA 0.187 4.505 4.320 -0.003 0.000 0.215 1596 A C 2.415 179.865 177.584 -0.223 0.000 1.181 1596 A CA 1.049 53.001 52.037 -0.141 0.000 0.620 1596 A CB -0.339 18.595 19.000 -0.111 0.000 0.821 1596 A HN 0.338 nan 8.150 nan 0.000 0.443 1597 L N -0.476 120.535 121.223 -0.353 0.000 2.046 1597 L HA -0.269 4.069 4.340 -0.003 0.000 0.208 1597 L C 2.882 179.533 176.870 -0.364 0.000 1.077 1597 L CA 1.666 56.279 54.840 -0.378 0.000 0.747 1597 L CB -0.700 40.984 42.059 -0.626 0.000 0.896 1597 L HN 0.516 nan 8.230 nan 0.000 0.432 1598 Q N -0.207 119.266 119.800 -0.545 0.000 2.167 1598 Q HA -0.152 4.186 4.340 -0.003 0.000 0.202 1598 Q C 2.299 177.861 176.000 -0.729 0.000 0.970 1598 Q CA 1.192 56.516 55.803 -0.798 0.000 0.855 1598 Q CB -0.047 27.815 28.738 -1.460 0.000 0.911 1598 Q HN 0.557 nan 8.270 nan 0.000 0.438 1599 I N 0.790 121.089 120.570 -0.451 0.000 2.202 1599 I HA -0.273 3.895 4.170 -0.003 0.000 0.242 1599 I C 2.284 178.388 176.117 -0.023 0.000 1.091 1599 I CA 1.035 62.279 61.300 -0.092 0.000 1.368 1599 I CB -0.241 37.776 38.000 0.028 0.000 1.058 1599 I HN 0.242 nan 8.210 nan 0.000 0.410 1600 L N 0.558 121.743 121.223 -0.064 0.000 1.990 1600 L HA -0.273 4.065 4.340 -0.003 0.000 0.213 1600 L C 1.904 178.780 176.870 0.009 0.000 1.072 1600 L CA 1.620 56.455 54.840 -0.008 0.000 0.755 1600 L CB -0.679 41.307 42.059 -0.122 0.000 0.889 1600 L HN 0.387 nan 8.230 nan 0.000 0.432 1601 N N -0.816 117.838 118.700 -0.077 0.000 2.461 1601 N HA -0.061 4.677 4.740 -0.003 0.000 0.188 1601 N C 1.544 177.110 175.510 0.093 0.000 1.134 1601 N CA 1.111 54.159 53.050 -0.004 0.000 0.878 1601 N CB 0.404 38.894 38.487 0.006 0.000 0.972 1601 N HN 0.378 nan 8.380 nan 0.000 0.456 1602 S N -1.835 113.924 115.700 0.099 0.000 2.589 1602 S HA 0.240 4.708 4.470 -0.003 0.000 0.235 1602 S C 1.414 176.128 174.600 0.192 0.000 1.051 1602 S CA 0.589 58.898 58.200 0.181 0.000 0.978 1602 S CB 0.582 63.951 63.200 0.280 0.000 0.929 1602 S HN 0.210 nan 8.310 nan 0.000 0.523 1603 G N 1.650 110.549 108.800 0.166 0.000 2.196 1603 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.268 1603 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.268 1603 G C 0.019 174.985 174.900 0.110 0.000 0.975 1603 G CA 0.704 45.887 45.100 0.138 0.000 0.648 1603 G HN 0.653 nan 8.290 nan 0.000 0.538 1604 I N 1.074 121.751 120.570 0.179 0.000 2.331 1604 I HA 0.439 4.607 4.170 -0.003 0.000 0.292 1604 I C 0.468 176.692 176.117 0.178 0.000 0.998 1604 I CA -0.743 60.651 61.300 0.156 0.000 1.267 1604 I CB 1.236 39.349 38.000 0.188 0.000 1.386 1604 I HN -0.040 nan 8.210 nan 0.000 0.476 1605 I N 8.501 129.116 120.570 0.076 0.000 2.328 1605 I HA 0.327 4.495 4.170 -0.003 0.000 0.287 1605 I C -2.277 173.856 176.117 0.026 0.000 1.012 1605 I CA -1.999 59.351 61.300 0.084 0.000 1.195 1605 I CB 1.008 39.047 38.000 0.064 0.000 1.350 1605 I HN 0.246 nan 8.210 nan 0.000 0.464 1606 P HA 0.139 nan 4.420 nan 0.000 0.272 1606 P C 0.025 177.329 177.300 0.006 0.000 1.240 1606 P CA -0.264 62.789 63.100 -0.079 0.000 0.791 1606 P CB 0.659 32.302 31.700 -0.094 0.000 0.978 1607 G N 0.579 109.366 108.800 -0.021 0.000 2.379 1607 G HA2 0.214 4.172 3.960 -0.003 0.000 0.327 1607 G HA3 0.214 4.172 3.960 -0.003 0.000 0.327 1607 G C -0.268 174.549 174.900 -0.138 0.000 1.145 1607 G CA -0.407 44.680 45.100 -0.023 0.000 0.905 1607 G HN 0.422 nan 8.290 nan 0.000 0.466 1608 N N 1.573 120.190 118.700 -0.139 0.000 2.416 1608 N HA -0.038 4.700 4.740 -0.003 0.000 0.291 1608 N C 1.489 176.627 175.510 -0.619 0.000 1.257 1608 N CA -0.046 52.710 53.050 -0.490 0.000 1.043 1608 N CB 0.139 38.576 38.487 -0.083 0.000 1.441 1608 N HN 0.529 nan 8.380 nan 0.000 0.490 1609 R N 1.983 121.902 120.500 -0.968 0.000 2.316 1609 R HA 0.044 4.382 4.340 -0.003 0.000 0.202 1609 R C 0.293 176.422 176.300 -0.285 0.000 1.029 1609 R CA 0.665 56.508 56.100 -0.428 0.000 1.018 1609 R CB 0.020 30.234 30.300 -0.142 0.000 0.888 1609 R HN 0.609 nan 8.270 nan 0.000 0.471 1610 N N -0.009 118.450 118.700 -0.401 0.000 2.238 1610 N HA 0.114 4.852 4.740 -0.003 0.000 0.222 1610 N C -0.647 174.806 175.510 -0.095 0.000 1.133 1610 N CA -0.379 52.602 53.050 -0.115 0.000 0.854 1610 N CB 1.084 39.598 38.487 0.045 0.000 1.041 1610 N HN 0.038 nan 8.380 nan 0.000 0.510 1611 A N 1.566 124.323 122.820 -0.106 0.000 3.004 1611 A HA 0.058 4.376 4.320 -0.003 0.000 0.286 1611 A C 1.042 178.715 177.584 0.148 0.000 1.632 1611 A CA -0.554 51.485 52.037 0.002 0.000 1.339 1611 A CB -0.166 18.869 19.000 0.058 0.000 1.136 1611 A HN 0.306 nan 8.150 nan 0.000 0.577 1612 D N 0.824 121.295 120.400 0.119 0.000 2.117 1612 D HA -0.134 4.504 4.640 -0.003 0.000 0.197 1612 D C 0.199 176.730 176.300 0.386 0.000 0.987 1612 D CA 1.161 55.307 54.000 0.244 0.000 0.829 1612 D CB 0.007 40.894 40.800 0.144 0.000 0.961 1612 D HN 0.460 nan 8.370 nan 0.000 0.460 1613 N N -0.728 118.098 118.700 0.210 0.000 2.578 1613 N HA 0.176 4.914 4.740 -0.003 0.000 0.282 1613 N C -1.696 173.781 175.510 -0.056 0.000 1.119 1613 N CA -0.421 52.723 53.050 0.156 0.000 0.948 1613 N CB 2.305 40.806 38.487 0.022 0.000 1.546 1613 N HN -0.223 nan 8.380 nan 0.000 0.525 1614 V N 1.957 121.727 119.914 -0.240 0.000 2.529 1614 V HA 0.045 4.163 4.120 -0.003 0.000 0.292 1614 V C 0.574 176.572 176.094 -0.159 0.000 1.028 1614 V CA -0.236 61.839 62.300 -0.376 0.000 1.074 1614 V CB 0.536 31.941 31.823 -0.697 0.000 0.958 1614 V HN 0.647 nan 8.190 nan 0.000 0.481 1615 D N 4.079 124.386 120.400 -0.156 0.000 2.502 1615 D HA -0.078 4.560 4.640 -0.003 0.000 0.249 1615 D C 1.139 177.491 176.300 0.088 0.000 1.188 1615 D CA 0.163 54.134 54.000 -0.048 0.000 0.890 1615 D CB 0.806 41.551 40.800 -0.092 0.000 1.140 1615 D HN 0.585 nan 8.370 nan 0.000 0.505 1616 K N 3.860 124.336 120.400 0.126 0.000 2.160 1616 K HA -0.178 4.140 4.320 -0.003 0.000 0.206 1616 K C 1.715 178.275 176.600 -0.067 0.000 1.047 1616 K CA 1.114 57.477 56.287 0.127 0.000 0.930 1616 K CB -0.338 32.213 32.500 0.085 0.000 0.720 1616 K HN 0.516 nan 8.250 nan 0.000 0.450 1617 I N 0.830 121.376 120.570 -0.039 0.000 2.118 1617 I HA -0.283 3.885 4.170 -0.003 0.000 0.241 1617 I C 1.737 177.803 176.117 -0.085 0.000 1.070 1617 I CA 1.413 62.675 61.300 -0.063 0.000 1.327 1617 I CB -0.355 37.649 38.000 0.007 0.000 1.034 1617 I HN 0.141 nan 8.210 nan 0.000 0.405 1618 L N 0.143 121.397 121.223 0.052 0.000 2.642 1618 L HA -0.182 4.156 4.340 -0.003 0.000 0.236 1618 L C 2.232 179.128 176.870 0.044 0.000 1.169 1618 L CA 0.651 55.647 54.840 0.260 0.000 0.851 1618 L CB -0.779 41.372 42.059 0.152 0.000 0.968 1618 L HN 0.380 nan 8.230 nan 0.000 0.453 1619 E N 0.789 120.720 120.200 -0.447 0.000 2.150 1619 E HA -0.256 4.091 4.350 -0.003 0.000 0.193 1619 E C 2.136 178.444 176.600 -0.487 0.000 0.985 1619 E CA 1.027 56.880 56.400 -0.911 0.000 0.814 1619 E CB 0.124 28.955 29.700 -1.448 0.000 0.752 1619 E HN 0.704 nan 8.360 nan 0.000 0.466 1620 Q N -0.414 119.093 119.800 -0.489 0.000 2.234 1620 Q HA -0.146 4.192 4.340 -0.003 0.000 0.206 1620 Q C 0.163 175.927 176.000 -0.393 0.000 0.980 1620 Q CA 0.902 56.408 55.803 -0.494 0.000 0.869 1620 Q CB -0.415 27.924 28.738 -0.666 0.000 0.912 1620 Q HN 0.153 nan 8.270 nan 0.000 0.436 1621 F N 2.560 122.529 119.950 0.032 0.000 2.605 1621 F HA 0.227 4.752 4.527 -0.003 0.000 0.352 1621 F C 0.666 176.546 175.800 0.133 0.000 1.236 1621 F CA -0.499 57.580 58.000 0.132 0.000 1.267 1621 F CB 0.134 39.252 39.000 0.198 0.000 1.632 1621 F HN 0.071 nan 8.300 nan 0.000 0.639 1622 E N 0.298 120.603 120.200 0.174 0.000 2.472 1622 E HA -0.180 4.168 4.350 -0.003 0.000 0.200 1622 E C 0.618 177.168 176.600 -0.082 0.000 1.046 1622 E CA 0.897 57.302 56.400 0.007 0.000 0.871 1622 E CB -0.060 29.568 29.700 -0.120 0.000 0.806 1622 E HN 0.685 nan 8.360 nan 0.000 0.533 1623 Y N -0.181 120.207 120.300 0.147 0.000 2.468 1623 Y HA 0.099 4.647 4.550 -0.003 0.000 0.268 1623 Y C 0.352 176.317 175.900 0.109 0.000 1.177 1623 Y CA -0.181 57.986 58.100 0.112 0.000 1.265 1623 Y CB 0.857 39.373 38.460 0.094 0.000 1.103 1623 Y HN -0.219 nan 8.280 nan 0.000 0.522 1624 V N 1.787 121.831 119.914 0.218 0.000 2.604 1624 V HA 0.341 4.459 4.120 -0.003 0.000 0.305 1624 V C -0.580 175.470 176.094 -0.073 0.000 1.043 1624 V CA -1.148 61.179 62.300 0.046 0.000 0.888 1624 V CB 2.694 34.498 31.823 -0.031 0.000 0.995 1624 V HN -0.023 nan 8.190 nan 0.000 0.429 1625 L N 4.976 126.097 121.223 -0.170 0.000 2.349 1625 L HA 0.588 4.926 4.340 -0.003 0.000 0.278 1625 L C -1.676 175.092 176.870 -0.171 0.000 0.996 1625 L CA -0.549 54.239 54.840 -0.087 0.000 0.825 1625 L CB 1.737 43.816 42.059 0.033 0.000 1.243 1625 L HN 0.674 nan 8.230 nan 0.000 0.412 1626 Y N 5.077 125.403 120.300 0.043 0.000 2.593 1626 Y HA 0.390 4.938 4.550 -0.003 0.000 0.331 1626 Y C -2.122 173.820 175.900 0.071 0.000 0.986 1626 Y CA -2.770 55.378 58.100 0.080 0.000 1.262 1626 Y CB 0.580 39.012 38.460 -0.046 0.000 1.098 1626 Y HN 0.448 nan 8.280 nan 0.000 0.506 1627 P HA 0.139 nan 4.420 nan 0.000 0.284 1627 P C 0.522 177.965 177.300 0.238 0.000 1.253 1627 P CA -0.380 62.862 63.100 0.235 0.000 0.800 1627 P CB 1.652 33.446 31.700 0.156 0.000 0.961 1628 S N 1.636 117.498 115.700 0.269 0.000 2.517 1628 S HA 0.093 4.561 4.470 -0.003 0.000 0.214 1628 S C 0.476 175.039 174.600 -0.063 0.000 0.991 1628 S CA 0.021 58.261 58.200 0.068 0.000 0.906 1628 S CB -0.420 62.723 63.200 -0.095 0.000 0.789 1628 S HN 0.535 nan 8.310 nan 0.000 0.513 1629 K N 0.231 120.619 120.400 -0.021 0.000 2.435 1629 K HA 0.511 4.829 4.320 -0.003 0.000 0.251 1629 K C -1.259 175.333 176.600 -0.015 0.000 0.954 1629 K CA -0.672 55.586 56.287 -0.048 0.000 0.820 1629 K CB 1.161 33.618 32.500 -0.073 0.000 1.292 1629 K HN -0.142 nan 8.250 nan 0.000 0.436 1630 T N 2.574 117.104 114.554 -0.039 0.000 2.888 1630 T HA 0.175 4.523 4.350 -0.003 0.000 0.301 1630 T C -0.163 174.535 174.700 -0.004 0.000 1.001 1630 T CA -0.117 61.956 62.100 -0.046 0.000 1.147 1630 T CB -0.084 68.716 68.868 -0.113 0.000 0.931 1630 T HN 0.324 nan 8.240 nan 0.000 0.541 1631 L N 3.912 125.140 121.223 0.008 0.000 2.298 1631 L HA 0.451 4.789 4.340 -0.003 0.000 0.284 1631 L C 0.419 177.272 176.870 -0.029 0.000 1.013 1631 L CA -0.735 54.118 54.840 0.023 0.000 0.824 1631 L CB 1.276 43.365 42.059 0.051 0.000 1.221 1631 L HN 0.479 nan 8.230 nan 0.000 0.418 1632 K N 3.275 123.679 120.400 0.007 0.000 2.250 1632 K HA 0.269 4.587 4.320 -0.003 0.000 0.285 1632 K C 0.174 176.755 176.600 -0.032 0.000 1.097 1632 K CA -0.310 55.992 56.287 0.025 0.000 0.913 1632 K CB 0.743 33.288 32.500 0.075 0.000 1.179 1632 K HN 0.705 nan 8.250 nan 0.000 0.462 1633 T N -0.125 114.279 114.554 -0.250 0.000 2.849 1633 T HA 0.137 4.485 4.350 -0.003 0.000 0.276 1633 T C 0.784 175.446 174.700 -0.065 0.000 0.971 1633 T CA -0.452 61.193 62.100 -0.758 0.000 0.949 1633 T CB 0.986 69.378 68.868 -0.793 0.000 1.093 1633 T HN 0.612 nan 8.240 nan 0.000 0.545 1634 D N -1.452 118.967 120.400 0.032 0.000 2.340 1634 D HA 0.357 4.995 4.640 -0.003 0.000 0.217 1634 D C 0.723 177.152 176.300 0.214 0.000 1.081 1634 D CA -0.104 54.059 54.000 0.272 0.000 0.842 1634 D CB -0.357 40.646 40.800 0.338 0.000 0.934 1634 D HN 1.071 nan 8.370 nan 0.000 0.511 1635 G N -1.088 107.800 108.800 0.148 0.000 2.351 1635 G HA2 0.356 4.314 3.960 -0.003 0.000 0.296 1635 G HA3 0.356 4.314 3.960 -0.003 0.000 0.296 1635 G C -1.882 173.101 174.900 0.138 0.000 1.685 1635 G CA -0.762 44.419 45.100 0.136 0.000 0.936 1635 G HN 0.084 nan 8.290 nan 0.000 0.714 1636 V N 1.953 121.959 119.914 0.153 0.000 2.495 1636 V HA 0.530 4.648 4.120 -0.003 0.000 0.298 1636 V C 1.106 177.322 176.094 0.203 0.000 1.031 1636 V CA -0.632 61.764 62.300 0.160 0.000 0.871 1636 V CB 1.756 33.660 31.823 0.136 0.000 0.988 1636 V HN 0.879 nan 8.190 nan 0.000 0.432 1637 R N 2.318 122.928 120.500 0.183 0.000 2.146 1637 R HA 0.605 4.943 4.340 -0.003 0.000 0.206 1637 R C 0.377 176.781 176.300 0.174 0.000 1.049 1637 R CA 0.932 57.168 56.100 0.226 0.000 1.029 1637 R CB 0.642 31.056 30.300 0.191 0.000 0.949 1637 R HN 0.803 nan 8.270 nan 0.000 0.471 1638 A N 0.007 122.887 122.820 0.101 0.000 2.555 1638 A HA 0.509 4.827 4.320 -0.003 0.000 0.297 1638 A C -1.276 176.323 177.584 0.025 0.000 1.060 1638 A CA -0.648 51.415 52.037 0.044 0.000 0.710 1638 A CB 1.441 20.442 19.000 0.002 0.000 1.282 1638 A HN -0.058 nan 8.150 nan 0.000 0.399 1639 V N 0.924 120.837 119.914 -0.001 0.000 2.850 1639 V HA 0.807 4.925 4.120 -0.003 0.000 0.315 1639 V C 0.549 176.616 176.094 -0.045 0.000 1.064 1639 V CA -0.298 61.991 62.300 -0.018 0.000 0.979 1639 V CB 2.084 33.891 31.823 -0.026 0.000 1.039 1639 V HN 1.092 nan 8.190 nan 0.000 0.452 1640 S N 3.421 119.081 115.700 -0.066 0.000 2.718 1640 S HA 0.555 5.023 4.470 -0.003 0.000 0.294 1640 S C -0.721 173.808 174.600 -0.118 0.000 1.157 1640 S CA -0.561 57.581 58.200 -0.096 0.000 1.121 1640 S CB -0.039 63.091 63.200 -0.117 0.000 1.015 1640 S HN 0.472 nan 8.310 nan 0.000 0.479 1641 I N 5.092 125.607 120.570 -0.092 0.000 2.379 1641 I HA 0.279 4.447 4.170 -0.003 0.000 0.290 1641 I C 0.788 176.845 176.117 -0.100 0.000 1.063 1641 I CA -0.027 61.227 61.300 -0.078 0.000 1.351 1641 I CB 1.044 39.012 38.000 -0.052 0.000 1.410 1641 I HN 0.619 nan 8.210 nan 0.000 0.505 1642 T N 2.219 116.714 114.554 -0.098 0.000 2.863 1642 T HA 0.805 5.153 4.350 -0.003 0.000 0.285 1642 T C -0.358 174.318 174.700 -0.039 0.000 1.009 1642 T CA -0.731 61.307 62.100 -0.105 0.000 0.989 1642 T CB 1.782 70.598 68.868 -0.086 0.000 1.004 1642 T HN 0.607 nan 8.240 nan 0.000 0.455 1643 S N 1.466 117.038 115.700 -0.214 0.000 2.541 1643 S HA 0.806 5.274 4.470 -0.003 0.000 0.271 1643 S C -1.657 172.638 174.600 -0.509 0.000 1.133 1643 S CA -0.970 56.974 58.200 -0.427 0.000 0.876 1643 S CB 1.085 64.014 63.200 -0.450 0.000 1.105 1643 S HN 0.592 nan 8.310 nan 0.000 0.470 1644 F N 0.670 120.149 119.950 -0.785 0.000 2.529 1644 F HA 0.826 5.350 4.527 -0.003 0.000 0.320 1644 F C 0.779 176.462 175.800 -0.194 0.000 1.118 1644 F CA -0.386 57.417 58.000 -0.327 0.000 0.915 1644 F CB 2.289 41.183 39.000 -0.176 0.000 1.161 1644 F HN 1.048 nan 8.300 nan 0.000 0.445 1645 G N 1.203 110.044 108.800 0.069 0.000 2.600 1645 G HA2 0.609 4.567 3.960 -0.003 0.000 0.303 1645 G HA3 0.609 4.567 3.960 -0.003 0.000 0.303 1645 G C -1.309 173.704 174.900 0.188 0.000 1.253 1645 G CA -0.722 44.482 45.100 0.174 0.000 0.974 1645 G HN 0.252 nan 8.290 nan 0.000 0.483 1646 F N 0.215 120.221 119.950 0.093 0.000 2.589 1646 F HA 0.377 4.902 4.527 -0.003 0.000 0.352 1646 F C 1.583 177.415 175.800 0.053 0.000 1.168 1646 F CA 1.412 59.466 58.000 0.090 0.000 1.353 1646 F CB 0.777 39.841 39.000 0.106 0.000 1.116 1646 F HN 0.924 nan 8.300 nan 0.000 0.608 1647 G N 1.752 110.670 108.800 0.198 0.000 2.225 1647 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.264 1647 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.264 1647 G C 0.231 175.169 174.900 0.064 0.000 1.060 1647 G CA 0.172 45.344 45.100 0.120 0.000 0.833 1647 G HN 0.804 nan 8.290 nan 0.000 0.498 1648 Q N -2.724 117.103 119.800 0.046 0.000 2.494 1648 Q HA -0.225 4.113 4.340 -0.003 0.000 0.266 1648 Q C 0.635 176.628 176.000 -0.010 0.000 1.053 1648 Q CA 1.657 57.470 55.803 0.018 0.000 1.029 1648 Q CB -1.017 27.727 28.738 0.010 0.000 1.423 1648 Q HN 0.645 nan 8.270 nan 0.000 0.516 1649 K N 1.546 121.945 120.400 -0.002 0.000 2.142 1649 K HA 0.324 4.642 4.320 -0.003 0.000 0.250 1649 K C 0.277 176.799 176.600 -0.131 0.000 1.148 1649 K CA 0.355 56.616 56.287 -0.043 0.000 1.040 1649 K CB 0.294 32.794 32.500 -0.000 0.000 1.569 1649 K HN 0.319 nan 8.250 nan 0.000 0.361 1650 G N 0.660 109.336 108.800 -0.206 0.000 2.425 1650 G HA2 0.655 4.613 3.960 -0.003 0.000 0.302 1650 G HA3 0.655 4.613 3.960 -0.003 0.000 0.302 1650 G C -0.591 174.084 174.900 -0.376 0.000 1.159 1650 G CA -0.639 44.208 45.100 -0.422 0.000 0.865 1650 G HN 0.556 nan 8.290 nan 0.000 0.515 1651 G N -0.506 107.998 108.800 -0.493 0.000 2.768 1651 G HA2 0.528 4.486 3.960 -0.003 0.000 0.297 1651 G HA3 0.528 4.486 3.960 -0.003 0.000 0.297 1651 G C -1.422 173.290 174.900 -0.313 0.000 1.430 1651 G CA -0.482 44.423 45.100 -0.325 0.000 1.030 1651 G HN 0.731 nan 8.290 nan 0.000 0.553 1652 Q N 0.156 119.825 119.800 -0.217 0.000 2.423 1652 Q HA 0.806 5.144 4.340 -0.003 0.000 0.278 1652 Q C -1.112 174.815 176.000 -0.121 0.000 1.097 1652 Q CA -0.978 54.722 55.803 -0.173 0.000 0.809 1652 Q CB 2.551 31.192 28.738 -0.162 0.000 1.391 1652 Q HN 1.212 nan 8.270 nan 0.000 0.428 1653 A N 3.298 126.056 122.820 -0.102 0.000 2.455 1653 A HA 0.611 4.929 4.320 -0.003 0.000 0.300 1653 A C -1.488 176.054 177.584 -0.070 0.000 1.040 1653 A CA -0.617 51.374 52.037 -0.076 0.000 0.697 1653 A CB 1.265 20.225 19.000 -0.068 0.000 1.265 1653 A HN 0.607 nan 8.150 nan 0.000 0.407 1654 I N 3.034 123.571 120.570 -0.055 0.000 2.355 1654 I HA 0.342 4.510 4.170 -0.003 0.000 0.288 1654 I C -0.447 175.644 176.117 -0.043 0.000 0.999 1654 I CA -0.555 60.715 61.300 -0.049 0.000 1.163 1654 I CB 1.158 39.133 38.000 -0.041 0.000 1.316 1654 I HN 0.300 nan 8.210 nan 0.000 0.454 1655 V N 7.560 127.443 119.914 -0.052 0.000 2.370 1655 V HA 0.381 4.499 4.120 -0.003 0.000 0.283 1655 V C 0.285 176.347 176.094 -0.052 0.000 1.023 1655 V CA -0.649 61.616 62.300 -0.059 0.000 0.857 1655 V CB 2.155 33.933 31.823 -0.075 0.000 0.985 1655 V HN 0.417 nan 8.190 nan 0.000 0.443 1656 V N 4.224 124.093 119.914 -0.075 0.000 2.612 1656 V HA 0.339 4.457 4.120 -0.003 0.000 0.301 1656 V C 0.299 176.389 176.094 -0.006 0.000 1.046 1656 V CA -0.777 61.479 62.300 -0.073 0.000 0.946 1656 V CB 1.618 33.302 31.823 -0.231 0.000 1.003 1656 V HN 0.854 nan 8.190 nan 0.000 0.459 1657 H N 6.491 125.588 119.070 0.045 0.000 2.928 1657 H HA 0.070 4.624 4.556 -0.003 0.000 0.338 1657 H C -1.819 173.517 175.328 0.013 0.000 1.047 1657 H CA -1.237 54.855 56.048 0.072 0.000 1.435 1657 H CB 1.756 31.605 29.762 0.144 0.000 1.428 1657 H HN 0.352 nan 8.280 nan 0.000 0.590 1658 P HA -0.141 nan 4.420 nan 0.000 0.216 1658 P C 0.950 178.195 177.300 -0.092 0.000 1.150 1658 P CA 1.239 64.278 63.100 -0.102 0.000 0.843 1658 P CB 0.365 31.995 31.700 -0.115 0.000 0.787 1659 D N -2.090 118.480 120.400 0.282 0.000 2.310 1659 D HA -0.132 4.506 4.640 -0.003 0.000 0.212 1659 D C 1.647 177.883 176.300 -0.106 0.000 0.965 1659 D CA 0.907 54.999 54.000 0.154 0.000 0.879 1659 D CB -0.613 40.226 40.800 0.064 0.000 0.921 1659 D HN 0.320 nan 8.370 nan 0.000 0.510 1660 Y N 0.219 120.500 120.300 -0.031 0.000 2.421 1660 Y HA -0.092 4.456 4.550 -0.003 0.000 0.292 1660 Y C 2.173 178.037 175.900 -0.059 0.000 1.136 1660 Y CA 0.151 58.216 58.100 -0.057 0.000 1.255 1660 Y CB -0.077 38.307 38.460 -0.127 0.000 0.991 1660 Y HN -0.022 nan 8.280 nan 0.000 0.552 1661 L N -0.993 120.164 121.223 -0.110 0.000 2.056 1661 L HA -0.200 4.138 4.340 -0.003 0.000 0.207 1661 L C 1.647 178.476 176.870 -0.067 0.000 1.078 1661 L CA 1.748 56.508 54.840 -0.133 0.000 0.749 1661 L CB -0.745 41.091 42.059 -0.372 0.000 0.901 1661 L HN 0.142 nan 8.230 nan 0.000 0.433 1662 Y N 0.153 120.506 120.300 0.089 0.000 2.497 1662 Y HA 0.066 4.614 4.550 -0.003 0.000 0.292 1662 Y C 2.500 178.413 175.900 0.022 0.000 1.137 1662 Y CA 0.660 58.820 58.100 0.100 0.000 1.285 1662 Y CB -1.458 37.090 38.460 0.145 0.000 0.991 1662 Y HN 0.248 nan 8.280 nan 0.000 0.556 1663 G N -0.019 108.843 108.800 0.105 0.000 2.462 1663 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.220 1663 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.220 1663 G C 1.488 176.449 174.900 0.101 0.000 1.121 1663 G CA 0.746 45.872 45.100 0.044 0.000 0.758 1663 G HN 0.442 nan 8.290 nan 0.000 0.559 1664 A N -0.347 122.557 122.820 0.140 0.000 2.532 1664 A HA 0.664 4.981 4.320 -0.003 0.000 0.273 1664 A C 0.319 177.984 177.584 0.134 0.000 1.342 1664 A CA -0.296 51.817 52.037 0.126 0.000 0.929 1664 A CB -0.168 18.906 19.000 0.124 0.000 1.051 1664 A HN 0.379 nan 8.150 nan 0.000 0.521 1665 I N -1.099 119.581 120.570 0.183 0.000 2.994 1665 I HA 0.374 4.542 4.170 -0.003 0.000 0.306 1665 I C 0.014 176.263 176.117 0.219 0.000 1.195 1665 I CA -0.497 60.917 61.300 0.189 0.000 1.001 1665 I CB 2.255 40.388 38.000 0.221 0.000 1.244 1665 I HN 0.124 nan 8.210 nan 0.000 0.437 1666 T N 2.253 116.886 114.554 0.131 0.000 2.900 1666 T HA 0.052 4.400 4.350 -0.003 0.000 0.307 1666 T C 1.045 175.680 174.700 -0.108 0.000 1.065 1666 T CA 0.479 62.609 62.100 0.051 0.000 1.105 1666 T CB 0.889 69.767 68.868 0.017 0.000 0.979 1666 T HN 0.836 nan 8.240 nan 0.000 0.544 1667 E N 1.516 121.455 120.200 -0.435 0.000 2.051 1667 E HA -0.196 4.152 4.350 -0.003 0.000 0.192 1667 E C 1.291 177.660 176.600 -0.386 0.000 0.991 1667 E CA 1.688 57.458 56.400 -1.050 0.000 0.799 1667 E CB -0.132 28.949 29.700 -1.031 0.000 0.748 1667 E HN 0.788 nan 8.360 nan 0.000 0.449 1668 D N 0.013 120.298 120.400 -0.192 0.000 2.123 1668 D HA -0.181 4.457 4.640 -0.003 0.000 0.196 1668 D C 2.001 178.287 176.300 -0.023 0.000 0.992 1668 D CA 0.962 54.914 54.000 -0.080 0.000 0.833 1668 D CB -0.221 40.551 40.800 -0.046 0.000 0.954 1668 D HN 0.148 nan 8.370 nan 0.000 0.455 1669 R N -0.902 119.599 120.500 0.003 0.000 2.066 1669 R HA -0.172 4.166 4.340 -0.003 0.000 0.232 1669 R C 2.322 178.693 176.300 0.117 0.000 1.131 1669 R CA 0.922 57.059 56.100 0.062 0.000 0.955 1669 R CB -0.463 29.882 30.300 0.075 0.000 0.851 1669 R HN 0.225 nan 8.270 nan 0.000 0.432 1670 Y N 1.901 122.207 120.300 0.009 0.000 2.128 1670 Y HA -0.277 4.271 4.550 -0.003 0.000 0.284 1670 Y C 1.922 177.877 175.900 0.092 0.000 1.154 1670 Y CA 2.101 60.252 58.100 0.086 0.000 1.149 1670 Y CB -0.345 38.196 38.460 0.135 0.000 0.976 1670 Y HN 0.175 nan 8.280 nan 0.000 0.505 1671 N N 0.590 119.341 118.700 0.085 0.000 2.069 1671 N HA -0.236 4.502 4.740 -0.003 0.000 0.191 1671 N C 1.933 177.413 175.510 -0.050 0.000 1.031 1671 N CA 1.696 54.745 53.050 -0.002 0.000 0.852 1671 N CB -0.619 37.881 38.487 0.021 0.000 1.018 1671 N HN 0.636 nan 8.380 nan 0.000 0.423 1672 E N -0.136 120.061 120.200 -0.004 0.000 2.118 1672 E HA -0.250 4.098 4.350 -0.003 0.000 0.195 1672 E C 1.937 178.541 176.600 0.006 0.000 0.992 1672 E CA 0.987 57.392 56.400 0.007 0.000 0.804 1672 E CB -0.183 29.538 29.700 0.036 0.000 0.741 1672 E HN 0.458 nan 8.360 nan 0.000 0.458 1673 Y N 0.838 121.065 120.300 -0.122 0.000 2.114 1673 Y HA -0.204 4.344 4.550 -0.003 0.000 0.284 1673 Y C 2.099 177.881 175.900 -0.197 0.000 1.143 1673 Y CA 1.677 59.693 58.100 -0.140 0.000 1.135 1673 Y CB -0.486 37.881 38.460 -0.154 0.000 0.980 1673 Y HN -0.098 nan 8.280 nan 0.000 0.499 1674 V N 1.150 120.812 119.914 -0.420 0.000 2.453 1674 V HA -0.374 3.744 4.120 -0.003 0.000 0.252 1674 V C 2.709 178.612 176.094 -0.318 0.000 1.068 1674 V CA 1.723 63.736 62.300 -0.478 0.000 1.070 1674 V CB -1.827 29.774 31.823 -0.370 0.000 0.664 1674 V HN 0.619 nan 8.190 nan 0.000 0.461 1675 A N 0.076 122.769 122.820 -0.211 0.000 1.851 1675 A HA -0.258 4.060 4.320 -0.003 0.000 0.216 1675 A C 2.326 179.829 177.584 -0.135 0.000 1.195 1675 A CA 2.161 54.118 52.037 -0.133 0.000 0.622 1675 A CB -0.480 18.474 19.000 -0.077 0.000 0.831 1675 A HN 0.538 nan 8.150 nan 0.000 0.444 1676 K N -0.469 119.842 120.400 -0.148 0.000 2.026 1676 K HA -0.084 4.234 4.320 -0.003 0.000 0.208 1676 K C 1.902 178.416 176.600 -0.143 0.000 1.048 1676 K CA 1.471 57.693 56.287 -0.109 0.000 0.929 1676 K CB -0.469 31.991 32.500 -0.067 0.000 0.713 1676 K HN 0.313 nan 8.250 nan 0.000 0.439 1677 V N 1.109 120.843 119.914 -0.300 0.000 2.332 1677 V HA -0.279 3.839 4.120 -0.003 0.000 0.248 1677 V C 2.487 178.524 176.094 -0.094 0.000 1.055 1677 V CA 2.135 64.288 62.300 -0.244 0.000 1.038 1677 V CB -0.585 30.942 31.823 -0.493 0.000 0.651 1677 V HN 0.407 nan 8.190 nan 0.000 0.450 1678 S N 0.218 115.837 115.700 -0.134 0.000 2.370 1678 S HA -0.222 4.246 4.470 -0.003 0.000 0.226 1678 S C 2.105 176.668 174.600 -0.062 0.000 1.033 1678 S CA 1.817 59.963 58.200 -0.089 0.000 1.011 1678 S CB -0.376 62.767 63.200 -0.095 0.000 0.852 1678 S HN 0.626 nan 8.310 nan 0.000 0.457 1679 A N 1.536 124.326 122.820 -0.050 0.000 1.930 1679 A HA 0.008 4.326 4.320 -0.003 0.000 0.217 1679 A C 2.313 179.898 177.584 0.001 0.000 1.175 1679 A CA 1.128 53.152 52.037 -0.023 0.000 0.627 1679 A CB -0.584 18.406 19.000 -0.015 0.000 0.815 1679 A HN 0.576 nan 8.150 nan 0.000 0.443 1680 R N -0.717 119.796 120.500 0.021 0.000 2.070 1680 R HA -0.126 4.212 4.340 -0.003 0.000 0.233 1680 R C 2.251 178.578 176.300 0.045 0.000 1.137 1680 R CA 1.345 57.490 56.100 0.075 0.000 0.945 1680 R CB -0.351 30.037 30.300 0.146 0.000 0.845 1680 R HN 0.601 nan 8.270 nan 0.000 0.430 1681 E N 1.265 121.440 120.200 -0.042 0.000 2.070 1681 E HA -0.233 4.115 4.350 -0.003 0.000 0.197 1681 E C 1.745 178.236 176.600 -0.181 0.000 1.004 1681 E CA 1.634 57.815 56.400 -0.365 0.000 0.805 1681 E CB 0.092 29.558 29.700 -0.389 0.000 0.744 1681 E HN 0.288 nan 8.360 nan 0.000 0.451 1682 K N -0.191 120.163 120.400 -0.077 0.000 2.057 1682 K HA -0.045 4.273 4.320 -0.003 0.000 0.207 1682 K C 2.311 178.959 176.600 0.079 0.000 1.049 1682 K CA 1.402 57.686 56.287 -0.005 0.000 0.931 1682 K CB -0.107 32.385 32.500 -0.014 0.000 0.714 1682 K HN -0.064 nan 8.250 nan 0.000 0.440 1683 S N 0.355 116.093 115.700 0.063 0.000 2.489 1683 S HA 0.004 4.472 4.470 -0.003 0.000 0.228 1683 S C 1.795 176.482 174.600 0.145 0.000 0.995 1683 S CA 0.780 59.038 58.200 0.097 0.000 0.934 1683 S CB 0.117 63.360 63.200 0.071 0.000 0.771 1683 S HN 0.390 nan 8.310 nan 0.000 0.522 1684 A N -0.045 122.853 122.820 0.130 0.000 1.943 1684 A HA 0.120 4.438 4.320 -0.003 0.000 0.213 1684 A C 1.783 179.502 177.584 0.225 0.000 1.181 1684 A CA 0.476 52.627 52.037 0.190 0.000 0.653 1684 A CB -0.733 18.356 19.000 0.148 0.000 0.833 1684 A HN 0.522 nan 8.150 nan 0.000 0.451 1685 Y N 1.218 121.537 120.300 0.032 0.000 2.165 1685 Y HA -0.238 4.310 4.550 -0.003 0.000 0.286 1685 Y C 2.285 178.303 175.900 0.198 0.000 1.155 1685 Y CA 2.352 60.511 58.100 0.099 0.000 1.164 1685 Y CB -0.178 38.288 38.460 0.010 0.000 0.978 1685 Y HN 0.303 nan 8.280 nan 0.000 0.513 1686 K N -0.418 120.073 120.400 0.152 0.000 1.987 1686 K HA -0.288 4.030 4.320 -0.003 0.000 0.216 1686 K C 2.184 178.816 176.600 0.054 0.000 1.051 1686 K CA 2.134 58.461 56.287 0.067 0.000 0.942 1686 K CB -0.947 31.629 32.500 0.127 0.000 0.722 1686 K HN 0.365 nan 8.250 nan 0.000 0.444 1687 F N 1.095 121.059 119.950 0.025 0.000 2.091 1687 F HA -0.234 4.291 4.527 -0.003 0.000 0.299 1687 F C 2.094 177.895 175.800 0.001 0.000 1.103 1687 F CA 1.801 59.816 58.000 0.025 0.000 1.228 1687 F CB -0.633 38.405 39.000 0.064 0.000 0.984 1687 F HN 0.193 nan 8.300 nan 0.000 0.477 1688 F N 0.140 120.026 119.950 -0.106 0.000 2.134 1688 F HA -0.228 4.297 4.527 -0.003 0.000 0.299 1688 F C 2.706 178.219 175.800 -0.479 0.000 1.097 1688 F CA 2.122 59.966 58.000 -0.261 0.000 1.264 1688 F CB -0.793 38.102 39.000 -0.176 0.000 1.001 1688 F HN 0.023 nan 8.300 nan 0.000 0.479 1689 H N -0.497 118.314 119.070 -0.433 0.000 2.495 1689 H HA -0.086 4.468 4.556 -0.003 0.000 0.287 1689 H C 1.835 176.787 175.328 -0.627 0.000 1.033 1689 H CA 1.251 56.939 56.048 -0.600 0.000 1.307 1689 H CB -0.442 28.986 29.762 -0.557 0.000 1.401 1689 H HN 0.379 nan 8.280 nan 0.000 0.555 1690 N N 0.663 119.115 118.700 -0.413 0.000 2.039 1690 N HA -0.110 4.628 4.740 -0.003 0.000 0.193 1690 N C 2.273 177.539 175.510 -0.407 0.000 1.044 1690 N CA 1.738 54.583 53.050 -0.342 0.000 0.847 1690 N CB -0.522 37.812 38.487 -0.255 0.000 1.030 1690 N HN 0.226 nan 8.380 nan 0.000 0.422 1691 G N -0.251 108.201 108.800 -0.579 0.000 2.534 1691 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.217 1691 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.217 1691 G C 1.449 176.114 174.900 -0.391 0.000 1.128 1691 G CA 0.326 45.155 45.100 -0.452 0.000 0.784 1691 G HN 0.312 nan 8.290 nan 0.000 0.542 1692 M N -0.047 119.122 119.600 -0.719 0.000 2.073 1692 M HA 0.117 4.595 4.480 -0.003 0.000 0.259 1692 M C 2.496 178.507 176.300 -0.482 0.000 1.079 1692 M CA 1.204 55.947 55.300 -0.929 0.000 1.131 1692 M CB -0.238 31.491 32.600 -1.451 0.000 1.316 1692 M HN 0.177 nan 8.290 nan 0.000 0.415 1693 I N -0.389 119.800 120.570 -0.635 0.000 2.151 1693 I HA -0.334 3.834 4.170 -0.003 0.000 0.243 1693 I C 1.239 177.109 176.117 -0.412 0.000 1.080 1693 I CA 1.643 62.505 61.300 -0.731 0.000 1.339 1693 I CB -0.197 36.934 38.000 -1.448 0.000 1.039 1693 I HN 0.348 nan 8.210 nan 0.000 0.409 1694 Y N 0.493 120.713 120.300 -0.134 0.000 2.507 1694 Y HA 0.201 4.749 4.550 -0.003 0.000 0.254 1694 Y C 0.664 176.567 175.900 0.004 0.000 1.171 1694 Y CA -0.804 57.275 58.100 -0.036 0.000 1.238 1694 Y CB -0.471 37.937 38.460 -0.087 0.000 1.148 1694 Y HN 0.198 nan 8.280 nan 0.000 0.525 1695 N N 0.396 119.181 118.700 0.142 0.000 2.725 1695 N HA -0.248 4.489 4.740 -0.003 0.000 0.249 1695 N C 0.382 175.951 175.510 0.098 0.000 1.103 1695 N CA 0.859 53.985 53.050 0.127 0.000 0.707 1695 N CB -1.183 37.353 38.487 0.082 0.000 1.043 1695 N HN 0.474 nan 8.380 nan 0.000 0.553 1696 K N 0.297 120.729 120.400 0.052 0.000 2.397 1696 K HA 0.266 4.584 4.320 -0.003 0.000 0.202 1696 K C 1.886 178.500 176.600 0.023 0.000 1.022 1696 K CA -0.256 56.050 56.287 0.031 0.000 1.141 1696 K CB 0.355 32.842 32.500 -0.023 0.000 0.857 1696 K HN 0.183 nan 8.250 nan 0.000 0.514 1697 L N 0.234 121.493 121.223 0.059 0.000 1.989 1697 L HA -0.132 4.206 4.340 -0.003 0.000 0.211 1697 L C 0.990 178.045 176.870 0.309 0.000 1.071 1697 L CA 1.214 56.141 54.840 0.144 0.000 0.749 1697 L CB -0.180 42.029 42.059 0.249 0.000 0.890 1697 L HN 0.155 nan 8.230 nan 0.000 0.431 1698 F N 0.373 120.431 119.950 0.179 0.000 2.424 1698 F HA 0.341 4.866 4.527 -0.003 0.000 0.356 1698 F C -0.385 175.483 175.800 0.112 0.000 1.110 1698 F CA -0.571 57.521 58.000 0.153 0.000 1.161 1698 F CB 0.741 39.820 39.000 0.131 0.000 1.115 1698 F HN -0.396 nan 8.300 nan 0.000 0.507 1699 V N 6.283 125.958 119.914 -0.399 0.000 2.357 1699 V HA 0.186 4.304 4.120 -0.003 0.000 0.281 1699 V C -0.313 175.479 176.094 -0.504 0.000 1.015 1699 V CA -0.831 61.293 62.300 -0.292 0.000 0.827 1699 V CB 1.013 32.776 31.823 -0.100 0.000 1.018 1699 V HN 0.871 nan 8.190 nan 0.000 0.432 1700 S N 4.915 120.349 115.700 -0.444 0.000 2.525 1700 S HA 0.200 4.668 4.470 -0.003 0.000 0.285 1700 S C 0.105 174.603 174.600 -0.170 0.000 1.283 1700 S CA -0.330 57.690 58.200 -0.302 0.000 1.072 1700 S CB 0.334 63.571 63.200 0.061 0.000 0.867 1700 S HN 0.539 nan 8.310 nan 0.000 0.492 1701 K N 3.240 123.545 120.400 -0.159 0.000 2.412 1701 K HA 0.079 4.397 4.320 -0.003 0.000 0.284 1701 K C 0.532 177.113 176.600 -0.031 0.000 1.046 1701 K CA 0.228 56.448 56.287 -0.112 0.000 0.999 1701 K CB 0.584 33.026 32.500 -0.098 0.000 0.941 1701 K HN 0.795 nan 8.250 nan 0.000 0.474 1702 E N 1.550 121.726 120.200 -0.039 0.000 2.476 1702 E HA 0.038 4.386 4.350 -0.003 0.000 0.196 1702 E C -0.303 176.126 176.600 -0.284 0.000 1.029 1702 E CA 0.146 56.478 56.400 -0.114 0.000 0.896 1702 E CB 0.388 30.026 29.700 -0.104 0.000 1.012 1702 E HN 0.393 nan 8.360 nan 0.000 0.475 1703 H N -1.313 117.791 119.070 0.056 0.000 3.064 1703 H HA 0.396 4.950 4.556 -0.003 0.000 0.352 1703 H C -0.791 174.602 175.328 0.108 0.000 1.260 1703 H CA -0.754 55.333 56.048 0.065 0.000 1.160 1703 H CB 1.555 31.349 29.762 0.053 0.000 1.879 1703 H HN 0.082 nan 8.280 nan 0.000 0.544 1704 A N 1.843 124.747 122.820 0.140 0.000 2.313 1704 A HA 0.364 4.682 4.320 -0.003 0.000 0.261 1704 A C -1.532 175.939 177.584 -0.187 0.000 1.090 1704 A CA -1.151 50.794 52.037 -0.153 0.000 0.807 1704 A CB 0.026 18.692 19.000 -0.557 0.000 1.055 1704 A HN 0.465 nan 8.150 nan 0.000 0.492 1705 P HA 0.016 nan 4.420 nan 0.000 0.226 1705 P C -0.676 176.683 177.300 0.098 0.000 1.153 1705 P CA 1.141 64.154 63.100 -0.145 0.000 0.777 1705 P CB -0.203 31.386 31.700 -0.185 0.000 0.794 1706 Y N -2.200 118.162 120.300 0.103 0.000 2.429 1706 Y HA 0.589 5.137 4.550 -0.003 0.000 0.342 1706 Y C 0.813 176.702 175.900 -0.018 0.000 1.004 1706 Y CA -2.128 55.975 58.100 0.005 0.000 1.075 1706 Y CB -0.227 38.077 38.460 -0.259 0.000 1.214 1706 Y HN -0.305 nan 8.280 nan 0.000 0.455 1707 T N -1.392 113.240 114.554 0.130 0.000 2.855 1707 T HA -0.002 4.346 4.350 -0.003 0.000 0.314 1707 T C 0.581 175.339 174.700 0.096 0.000 1.077 1707 T CA 0.059 62.202 62.100 0.070 0.000 1.095 1707 T CB 0.603 69.490 68.868 0.030 0.000 0.987 1707 T HN 0.745 nan 8.240 nan 0.000 0.546 1708 D N 1.266 121.713 120.400 0.079 0.000 2.149 1708 D HA -0.097 4.541 4.640 -0.003 0.000 0.198 1708 D C 1.811 178.117 176.300 0.010 0.000 0.990 1708 D CA 1.635 55.675 54.000 0.067 0.000 0.839 1708 D CB -0.116 40.724 40.800 0.065 0.000 0.948 1708 D HN 0.939 nan 8.370 nan 0.000 0.460 1709 E N -0.513 119.689 120.200 0.003 0.000 2.463 1709 E HA 0.118 4.466 4.350 -0.003 0.000 0.191 1709 E C 1.363 177.934 176.600 -0.048 0.000 1.083 1709 E CA 0.121 56.509 56.400 -0.021 0.000 0.872 1709 E CB 0.209 29.904 29.700 -0.008 0.000 0.966 1709 E HN 0.248 nan 8.360 nan 0.000 0.491 1710 L N -0.172 121.008 121.223 -0.072 0.000 3.174 1710 L HA 0.125 4.463 4.340 -0.003 0.000 0.283 1710 L C 2.014 178.700 176.870 -0.307 0.000 1.187 1710 L CA 0.018 54.784 54.840 -0.124 0.000 1.018 1710 L CB 0.471 42.502 42.059 -0.047 0.000 1.433 1710 L HN 0.106 nan 8.230 nan 0.000 0.593 1711 E N 1.087 121.078 120.200 -0.348 0.000 2.070 1711 E HA -0.296 4.051 4.350 -0.003 0.000 0.197 1711 E C 1.437 177.395 176.600 -1.069 0.000 1.004 1711 E CA 2.110 58.031 56.400 -0.798 0.000 0.805 1711 E CB 0.204 29.659 29.700 -0.409 0.000 0.744 1711 E HN 0.519 nan 8.360 nan 0.000 0.451 1712 E N 0.064 119.945 120.200 -0.531 0.000 2.072 1712 E HA -0.162 4.186 4.350 -0.003 0.000 0.191 1712 E C 1.908 178.331 176.600 -0.294 0.000 0.985 1712 E CA 1.108 57.308 56.400 -0.333 0.000 0.801 1712 E CB 0.001 29.619 29.700 -0.136 0.000 0.750 1712 E HN 0.253 nan 8.360 nan 0.000 0.452 1713 D N 0.228 120.463 120.400 -0.275 0.000 2.182 1713 D HA -0.135 4.503 4.640 -0.003 0.000 0.201 1713 D C 1.951 178.111 176.300 -0.234 0.000 0.986 1713 D CA 0.743 54.625 54.000 -0.196 0.000 0.847 1713 D CB -0.084 40.625 40.800 -0.151 0.000 0.942 1713 D HN 0.025 nan 8.370 nan 0.000 0.467 1714 V N 0.429 120.072 119.914 -0.452 0.000 2.283 1714 V HA -0.233 3.885 4.120 -0.003 0.000 0.243 1714 V C 2.015 177.971 176.094 -0.230 0.000 1.039 1714 V CA 1.149 63.132 62.300 -0.528 0.000 1.016 1714 V CB -0.696 30.453 31.823 -1.124 0.000 0.650 1714 V HN 0.137 nan 8.190 nan 0.000 0.449 1715 Y N 0.019 120.123 120.300 -0.327 0.000 2.298 1715 Y HA -0.133 4.415 4.550 -0.003 0.000 0.287 1715 Y C 2.127 178.025 175.900 -0.003 0.000 1.164 1715 Y CA 0.877 58.892 58.100 -0.142 0.000 1.229 1715 Y CB -0.734 37.610 38.460 -0.193 0.000 0.977 1715 Y HN 0.209 nan 8.280 nan 0.000 0.538 1716 L N -1.137 120.133 121.223 0.078 0.000 2.408 1716 L HA 0.077 4.415 4.340 -0.003 0.000 0.215 1716 L C 0.278 177.129 176.870 -0.031 0.000 1.081 1716 L CA 0.148 54.997 54.840 0.014 0.000 0.840 1716 L CB 0.121 42.174 42.059 -0.010 0.000 1.002 1716 L HN -0.095 nan 8.230 nan 0.000 0.468 1717 D N 0.656 121.045 120.400 -0.018 0.000 2.347 1717 D HA 0.134 4.772 4.640 -0.003 0.000 0.235 1717 D C -1.853 174.379 176.300 -0.112 0.000 1.149 1717 D CA -2.256 51.726 54.000 -0.030 0.000 0.850 1717 D CB 1.567 42.375 40.800 0.013 0.000 1.061 1717 D HN -0.129 nan 8.370 nan 0.000 0.487 1718 P HA 0.024 nan 4.420 nan 0.000 0.230 1718 P C 0.811 178.040 177.300 -0.119 0.000 1.158 1718 P CA 0.682 63.518 63.100 -0.440 0.000 0.769 1718 P CB 0.246 31.819 31.700 -0.211 0.000 0.807 1719 L N -2.052 119.194 121.223 0.038 0.000 2.728 1719 L HA 0.317 4.655 4.340 -0.003 0.000 0.238 1719 L C 0.858 177.848 176.870 0.200 0.000 1.143 1719 L CA -0.544 54.373 54.840 0.129 0.000 0.937 1719 L CB -0.157 41.974 42.059 0.121 0.000 1.225 1719 L HN -0.186 nan 8.230 nan 0.000 0.507 1720 A N 1.485 124.469 122.820 0.273 0.000 2.451 1720 A HA 0.509 4.827 4.320 -0.003 0.000 0.266 1720 A C 0.140 178.038 177.584 0.523 0.000 1.119 1720 A CA 0.223 52.476 52.037 0.360 0.000 0.786 1720 A CB 0.059 19.230 19.000 0.285 0.000 1.061 1720 A HN 0.330 nan 8.150 nan 0.000 0.503 1721 R N 1.652 122.365 120.500 0.354 0.000 2.808 1721 R HA 0.539 4.877 4.340 -0.003 0.000 0.272 1721 R C -1.255 174.872 176.300 -0.289 0.000 0.995 1721 R CA -0.978 55.191 56.100 0.115 0.000 0.917 1721 R CB 1.856 32.206 30.300 0.083 0.000 1.217 1721 R HN 0.448 nan 8.270 nan 0.000 0.471 1722 V N 1.643 121.229 119.914 -0.546 0.000 2.775 1722 V HA 0.248 4.366 4.120 -0.003 0.000 0.299 1722 V C 0.128 176.069 176.094 -0.256 0.000 1.062 1722 V CA 0.091 62.028 62.300 -0.604 0.000 1.063 1722 V CB 1.475 32.983 31.823 -0.525 0.000 0.994 1722 V HN 0.959 nan 8.190 nan 0.000 0.483 1723 S N 3.265 118.853 115.700 -0.187 0.000 2.569 1723 S HA 0.613 5.081 4.470 -0.003 0.000 0.280 1723 S C -0.989 173.571 174.600 -0.066 0.000 1.111 1723 S CA -1.319 56.821 58.200 -0.099 0.000 0.887 1723 S CB 1.506 64.667 63.200 -0.065 0.000 1.095 1723 S HN 0.611 nan 8.310 nan 0.000 0.476 1724 K N 1.244 121.617 120.400 -0.045 0.000 2.451 1724 K HA 0.179 4.497 4.320 -0.003 0.000 0.280 1724 K C -0.359 176.230 176.600 -0.018 0.000 1.020 1724 K CA -0.185 56.087 56.287 -0.026 0.000 1.008 1724 K CB 0.121 32.609 32.500 -0.020 0.000 0.917 1724 K HN 0.591 nan 8.250 nan 0.000 0.478 1725 D N 1.916 122.310 120.400 -0.011 0.000 2.344 1725 D HA 0.025 4.663 4.640 -0.003 0.000 0.244 1725 D C 0.658 176.954 176.300 -0.005 0.000 1.134 1725 D CA -0.121 53.876 54.000 -0.006 0.000 0.930 1725 D CB 0.954 41.753 40.800 -0.002 0.000 1.175 1725 D HN 0.374 nan 8.370 nan 0.000 0.437 1726 K N 1.621 122.019 120.400 -0.004 0.000 1.995 1726 K HA -0.021 4.297 4.320 -0.003 0.000 0.207 1726 K C 1.841 178.439 176.600 -0.003 0.000 1.041 1726 K CA 0.452 56.737 56.287 -0.003 0.000 0.942 1726 K CB -0.081 32.418 32.500 -0.002 0.000 0.731 1726 K HN 0.291 nan 8.250 nan 0.000 0.439 1727 K N 1.215 121.613 120.400 -0.003 0.000 2.001 1727 K HA -0.149 4.169 4.320 -0.003 0.000 0.214 1727 K C 2.548 179.145 176.600 -0.004 0.000 1.050 1727 K CA 2.302 58.587 56.287 -0.004 0.000 0.934 1727 K CB -0.250 32.247 32.500 -0.005 0.000 0.718 1727 K HN 0.239 nan 8.250 nan 0.000 0.443 1728 S N -1.209 114.488 115.700 -0.005 0.000 2.446 1728 S HA 0.062 4.530 4.470 -0.003 0.000 0.225 1728 S C 1.647 176.245 174.600 -0.004 0.000 1.016 1728 S CA 0.820 59.018 58.200 -0.004 0.000 0.943 1728 S CB 0.317 63.515 63.200 -0.004 0.000 0.786 1728 S HN 0.525 nan 8.310 nan 0.000 0.508 1729 G N 1.334 110.132 108.800 -0.004 0.000 2.212 1729 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.266 1729 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.266 1729 G C 0.302 175.199 174.900 -0.006 0.000 0.978 1729 G CA 0.505 45.602 45.100 -0.005 0.000 0.632 1729 G HN 1.316 nan 8.290 nan 0.000 0.537 1730 S N -0.171 115.528 115.700 -0.002 0.000 2.693 1730 S HA 0.750 5.218 4.470 -0.003 0.000 0.276 1730 S C 0.322 174.933 174.600 0.020 0.000 1.192 1730 S CA -0.965 57.236 58.200 0.002 0.000 0.994 1730 S CB 1.690 64.892 63.200 0.003 0.000 1.012 1730 S HN 0.564 nan 8.310 nan 0.000 0.550 1731 L N 2.524 123.777 121.223 0.050 0.000 2.325 1731 L HA 0.363 4.701 4.340 -0.003 0.000 0.284 1731 L C 0.704 177.613 176.870 0.065 0.000 1.089 1731 L CA -0.264 54.609 54.840 0.055 0.000 0.836 1731 L CB 0.103 42.219 42.059 0.095 0.000 1.184 1731 L HN 1.005 nan 8.230 nan 0.000 0.444 1732 T N -0.572 113.966 114.554 -0.025 0.000 2.907 1732 T HA 0.581 4.929 4.350 -0.003 0.000 0.290 1732 T C -0.477 174.139 174.700 -0.140 0.000 1.066 1732 T CA -0.694 61.395 62.100 -0.019 0.000 1.012 1732 T CB 1.461 70.355 68.868 0.043 0.000 1.184 1732 T HN 0.064 nan 8.240 nan 0.000 0.522 1733 F N 2.096 122.064 119.950 0.029 0.000 2.411 1733 F HA 0.494 5.019 4.527 -0.003 0.000 0.350 1733 F C 0.895 176.707 175.800 0.020 0.000 1.114 1733 F CA -0.662 57.356 58.000 0.030 0.000 1.135 1733 F CB 1.109 40.134 39.000 0.042 0.000 1.120 1733 F HN 0.548 nan 8.300 nan 0.000 0.495 1734 N N 0.739 119.535 118.700 0.159 0.000 2.487 1734 N HA 0.165 4.903 4.740 -0.003 0.000 0.292 1734 N C 0.659 176.227 175.510 0.097 0.000 1.108 1734 N CA -0.176 52.932 53.050 0.097 0.000 0.956 1734 N CB 1.584 40.102 38.487 0.051 0.000 1.176 1734 N HN 0.491 nan 8.380 nan 0.000 0.484 1735 S N 2.048 117.786 115.700 0.062 0.000 2.419 1735 S HA -0.109 4.359 4.470 -0.003 0.000 0.235 1735 S C 1.191 175.815 174.600 0.040 0.000 1.019 1735 S CA 1.233 59.459 58.200 0.042 0.000 0.982 1735 S CB -0.012 63.203 63.200 0.025 0.000 0.789 1735 S HN 0.611 nan 8.310 nan 0.000 0.490 1736 K N 1.000 121.425 120.400 0.042 0.000 2.400 1736 K HA 0.179 4.497 4.320 -0.003 0.000 0.194 1736 K C 0.787 177.415 176.600 0.046 0.000 1.033 1736 K CA 0.380 56.689 56.287 0.036 0.000 1.021 1736 K CB 0.046 32.563 32.500 0.028 0.000 0.808 1736 K HN 0.223 nan 8.250 nan 0.000 0.505 1737 N N 0.489 119.227 118.700 0.064 0.000 2.254 1737 N HA 0.104 4.842 4.740 -0.003 0.000 0.190 1737 N C 0.072 175.642 175.510 0.100 0.000 1.107 1737 N CA 0.254 53.351 53.050 0.079 0.000 0.869 1737 N CB 0.794 39.331 38.487 0.082 0.000 0.983 1737 N HN 0.098 nan 8.380 nan 0.000 0.487 1738 I N 2.128 122.751 120.570 0.089 0.000 2.312 1738 I HA 0.045 4.213 4.170 -0.003 0.000 0.291 1738 I C 0.343 176.484 176.117 0.040 0.000 1.031 1738 I CA -0.132 61.211 61.300 0.071 0.000 1.293 1738 I CB 0.680 38.704 38.000 0.041 0.000 1.403 1738 I HN -0.065 nan 8.210 nan 0.000 0.484 1739 Q N 2.219 122.043 119.800 0.040 0.000 2.494 1739 Q HA -0.177 4.160 4.340 -0.003 0.000 0.266 1739 Q C 0.298 176.311 176.000 0.022 0.000 1.053 1739 Q CA 0.856 56.670 55.803 0.019 0.000 1.029 1739 Q CB -1.531 27.204 28.738 -0.005 0.000 1.423 1739 Q HN 0.889 nan 8.270 nan 0.000 0.516 1740 S N -1.281 114.445 115.700 0.045 0.000 2.603 1740 S HA 0.424 4.892 4.470 -0.003 0.000 0.268 1740 S C 1.041 175.676 174.600 0.058 0.000 1.317 1740 S CA -0.339 57.887 58.200 0.045 0.000 1.012 1740 S CB 2.201 65.433 63.200 0.052 0.000 0.926 1740 S HN 0.185 nan 8.310 nan 0.000 0.539 1741 K N 0.989 121.419 120.400 0.051 0.000 1.985 1741 K HA -0.089 4.229 4.320 -0.003 0.000 0.210 1741 K C 1.378 178.048 176.600 0.116 0.000 1.047 1741 K CA 1.985 58.316 56.287 0.074 0.000 0.932 1741 K CB -0.773 31.760 32.500 0.054 0.000 0.716 1741 K HN 0.713 nan 8.250 nan 0.000 0.439 1742 D N -0.268 120.182 120.400 0.082 0.000 2.239 1742 D HA -0.148 4.490 4.640 -0.003 0.000 0.202 1742 D C 1.655 178.005 176.300 0.083 0.000 0.993 1742 D CA 1.598 55.643 54.000 0.074 0.000 0.874 1742 D CB -0.247 40.583 40.800 0.051 0.000 0.922 1742 D HN 0.396 nan 8.370 nan 0.000 0.464 1743 S N -1.150 114.611 115.700 0.101 0.000 2.496 1743 S HA -0.117 4.351 4.470 -0.003 0.000 0.224 1743 S C 1.933 176.613 174.600 0.133 0.000 0.996 1743 S CA -0.003 58.258 58.200 0.102 0.000 0.927 1743 S CB -0.381 62.881 63.200 0.104 0.000 0.774 1743 S HN 0.306 nan 8.310 nan 0.000 0.524 1744 Y N 1.671 121.988 120.300 0.028 0.000 2.420 1744 Y HA 0.366 4.914 4.550 -0.003 0.000 0.292 1744 Y C 1.647 177.563 175.900 0.027 0.000 1.119 1744 Y CA 0.269 58.385 58.100 0.026 0.000 1.229 1744 Y CB -0.114 38.358 38.460 0.020 0.000 1.026 1744 Y HN 0.213 nan 8.280 nan 0.000 0.554 1745 I N -0.236 120.377 120.570 0.071 0.000 2.584 1745 I HA -0.199 3.969 4.170 -0.003 0.000 0.255 1745 I C 1.305 177.410 176.117 -0.020 0.000 1.145 1745 I CA 0.702 62.007 61.300 0.008 0.000 1.462 1745 I CB -0.219 37.813 38.000 0.053 0.000 1.102 1745 I HN 0.107 nan 8.210 nan 0.000 0.433 1746 N N 1.205 119.906 118.700 0.003 0.000 2.463 1746 N HA 0.103 4.841 4.740 -0.003 0.000 0.181 1746 N C 0.665 176.169 175.510 -0.010 0.000 1.078 1746 N CA 0.363 53.415 53.050 0.002 0.000 0.902 1746 N CB -0.063 38.435 38.487 0.019 0.000 0.970 1746 N HN 0.235 nan 8.380 nan 0.000 0.451 1747 A N 0.000 122.798 122.820 -0.036 0.000 2.254 1747 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 1747 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 1747 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 1747 A HN 0.000 nan 8.150 nan 0.000 0.486