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 3cu7_1_B DATA FIRST_RESID 20 DATA SEQUENCE EQTYVISAPK IFRVGASENI VIQVYGYTEA FDATISIKSY PDKKFSYSSG DATA SEQUENCE HVHLSSENKF QNSAILTIQP KQLPGGQNPV SYVYLEVVSK HFSKSKRMPI DATA SEQUENCE TYDNGFLFIH TDKPVYTPDQ SVKVRVYSLN DDLKPAKRET VLTFIDPEGS DATA SEQUENCE EVDMVEEIDH IGIISFPDFK IPSNPRYGMW TIKAKYKEDF STTGTAYFEV DATA SEQUENCE KEYVLPHFSV SIEPEYNFIG YKNFKNFEIT IKARYFYNKV VTEADVYITF DATA SEQUENCE GIREDLKDDQ KEMMQTAMQN TMLINGIAQV TFDSETAVKE LSYYSLEDLN DATA SEQUENCE NKYLYIAVTV IESTGGFSEE AEIPGIKYVL SPYKLNLVAT PLFLKPGIPY DATA SEQUENCE PIKVQVKDSL DQLVGGVPVT LNAQTIDVNQ ETSDLDPSKS VTRVDDGVAS DATA SEQUENCE FVLNLPSGVT VLEFNVKTDA PDLPEENQAR EGYRAIAYSS LSQSYLYIDW DATA SEQUENCE TDNHKALLVG EHLNIIVTPK SPYIDKITHY NYLILSKGKI IHFGTREKFS DATA SEQUENCE DASYQSINIP VTQNMVPSSR LLVYYIVTGE QTAELVSDSV WLNIEEKcGN DATA SEQUENCE QLQVHLSPDA DAYSPGQTVS LNMATGMDSW VALAAVDSAV YGVQRGAKKP DATA SEQUENCE LERVFQFLEK SDLGcGAGGG LNNANVFHLA GLTFLTNANA DDSQENDEPc DATA SEQUENCE KEILXXXXXL QKKIEEIAAK YKHSVVKKcc YDGACVNNDE TcEQRAARIS DATA SEQUENCE LGPRcIKAFT EccVVASQLR ANISXXXXXL GRLHMKTLLP VSKPEIRSYF DATA SEQUENCE PESWLWEVHL VPRRKQLQFA LPDSLTTWEI QGIGISNTGI cVADTVKAKV DATA SEQUENCE FKDVFLEMNI PYSVVRGEQI QLKGTVYNYR TSGMQFcVKM SAVEGIcTSE DATA SEQUENCE SPXXXXXXXX XXKcVRQKVE GSSSHLVTFT VLPLEIGLHN INFSLETWFG DATA SEQUENCE KEILVKTLRV VPEGVKRESY SGVTLDPRGI YGTISRRKEF PYRIPLDLVP DATA SEQUENCE KTEIKRILSV KGLLVGEILS AVLSQEGINI LTHLPKGSAE AELMSVVPVF DATA SEQUENCE YVFHYLETGN HWNIFHSDPL IEKQKLKKKL KEGMLSIMSY RNADYSYSVW DATA SEQUENCE KGGSASTWLT AFALRVLGQV NKYVEQNQNS IcNSLLWLVE NYQLDNGSFK DATA SEQUENCE ENSQYQPIKL QGTLPVEARE NSLYLTAFTV IGIRKAFDIc PLVKIDTALI DATA SEQUENCE KADNFLLENT LPAQSTFTLA ISAYALSLGD KTHPQFRSIV SALKREALVK DATA SEQUENCE GNPPIYRFWK DNLQHKDSSV PNTGTARMVE TTAYALLTSL NLKDINYVNP DATA SEQUENCE VIKWLSEEQR YGGGFYSTQD TINAIEGLTE YSLLVKQLRL SMDIDVSYKH DATA SEQUENCE KGALHNYKMT DKNFLGRPVE VLLNDDLIVS TGFGSGLATV HVTTVVHKTS DATA SEQUENCE TSEEVcSFYL KIDTQDIXXX XXXXXXXXXY KRIVAcASYK PSREESSSGS DATA SEQUENCE SHAVMDISLP TGISANEEDL KALVEGVDQL FTDYQIKDGH VILQLNSIPS DATA SEQUENCE SDFLcVRFRI FELFEVGFLS PATFTVYEYH RPDKQcTMFY STSNIKIQKV DATA SEQUENCE cEGAAcKcVE ADC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 E HA 0.000 nan 4.350 nan 0.000 0.291 20 E C 0.000 176.636 176.600 0.059 0.000 1.382 20 E CA 0.000 56.420 56.400 0.033 0.000 0.976 20 E CB 0.000 29.709 29.700 0.015 0.000 0.812 21 Q N 1.704 121.512 119.800 0.013 0.000 2.351 21 Q HA 0.899 5.238 4.340 -0.001 0.000 0.273 21 Q C -0.983 174.928 176.000 -0.148 0.000 1.077 21 Q CA -0.692 55.118 55.803 0.012 0.000 0.843 21 Q CB 2.273 30.964 28.738 -0.078 0.000 1.367 21 Q HN 0.409 nan 8.270 nan 0.000 0.449 22 T N -0.136 114.347 114.554 -0.118 0.000 2.933 22 T HA 0.553 4.903 4.350 -0.001 0.000 0.305 22 T C -1.062 173.578 174.700 -0.101 0.000 1.092 22 T CA -0.774 61.175 62.100 -0.253 0.000 1.008 22 T CB 0.650 69.445 68.868 -0.121 0.000 1.102 22 T HN 0.572 nan 8.240 nan 0.000 0.469 23 Y N -0.096 120.204 120.300 -0.001 0.000 2.496 23 Y HA 0.879 5.429 4.550 -0.001 0.000 0.331 23 Y C -0.910 175.020 175.900 0.049 0.000 1.140 23 Y CA -2.597 55.525 58.100 0.036 0.000 1.166 23 Y CB 0.581 39.055 38.460 0.023 0.000 1.249 23 Y HN 0.528 nan 8.280 nan 0.000 0.479 24 V N 4.296 124.393 119.914 0.306 0.000 2.567 24 V HA 0.325 4.445 4.120 -0.001 0.000 0.298 24 V C -0.863 175.299 176.094 0.114 0.000 1.047 24 V CA -0.709 61.704 62.300 0.188 0.000 0.880 24 V CB 1.474 33.423 31.823 0.210 0.000 1.009 24 V HN 0.609 nan 8.190 nan 0.000 0.429 25 I N 3.510 124.104 120.570 0.041 0.000 2.392 25 I HA 0.589 4.759 4.170 -0.001 0.000 0.295 25 I C 0.339 176.492 176.117 0.060 0.000 0.985 25 I CA 0.009 61.322 61.300 0.020 0.000 1.221 25 I CB 1.835 39.816 38.000 -0.031 0.000 1.366 25 I HN 0.511 nan 8.210 nan 0.000 0.467 26 S N 4.200 119.944 115.700 0.073 0.000 2.513 26 S HA 0.940 5.410 4.470 -0.001 0.000 0.299 26 S C -0.401 174.264 174.600 0.109 0.000 1.087 26 S CA -0.619 57.659 58.200 0.131 0.000 1.012 26 S CB 2.516 65.822 63.200 0.177 0.000 1.044 26 S HN 0.854 nan 8.310 nan 0.000 0.485 27 A N 2.741 125.639 122.820 0.130 0.000 2.599 27 A HA 0.778 5.097 4.320 -0.001 0.000 0.294 27 A C -3.367 174.261 177.584 0.074 0.000 1.055 27 A CA -1.501 50.614 52.037 0.129 0.000 0.683 27 A CB 0.546 19.665 19.000 0.198 0.000 1.278 27 A HN 0.494 nan 8.150 nan 0.000 0.412 28 P HA 0.116 nan 4.420 nan 0.000 0.267 28 P C 0.581 177.784 177.300 -0.163 0.000 1.200 28 P CA 0.094 63.187 63.100 -0.012 0.000 0.772 28 P CB 0.698 32.413 31.700 0.025 0.000 0.855 29 K N 3.320 123.627 120.400 -0.155 0.000 2.286 29 K HA -0.081 4.238 4.320 -0.001 0.000 0.203 29 K C 0.270 176.660 176.600 -0.350 0.000 1.045 29 K CA 1.857 57.994 56.287 -0.249 0.000 0.935 29 K CB -0.151 32.209 32.500 -0.233 0.000 0.737 29 K HN 0.338 nan 8.250 nan 0.000 0.460 30 I N 0.525 120.896 120.570 -0.332 0.000 2.656 30 I HA 0.230 4.399 4.170 -0.001 0.000 0.292 30 I C -0.483 175.462 176.117 -0.287 0.000 1.144 30 I CA -0.945 60.131 61.300 -0.373 0.000 1.038 30 I CB 1.519 39.378 38.000 -0.235 0.000 1.244 30 I HN -0.151 nan 8.210 nan 0.000 0.420 31 F N 4.062 123.931 119.950 -0.134 0.000 2.370 31 F HA 0.537 5.063 4.527 -0.001 0.000 0.319 31 F C 0.797 176.513 175.800 -0.140 0.000 1.129 31 F CA -0.694 57.235 58.000 -0.118 0.000 1.109 31 F CB 1.101 40.031 39.000 -0.117 0.000 1.262 31 F HN 0.197 nan 8.300 nan 0.000 0.534 32 R N 0.748 121.316 120.500 0.112 0.000 2.532 32 R HA 0.412 4.752 4.340 -0.001 0.000 0.297 32 R C -1.543 174.768 176.300 0.018 0.000 0.984 32 R CA -0.929 55.179 56.100 0.013 0.000 0.884 32 R CB 2.232 32.528 30.300 -0.006 0.000 1.182 32 R HN 0.354 nan 8.270 nan 0.000 0.442 33 V N 2.746 122.679 119.914 0.032 0.000 2.540 33 V HA 0.098 4.218 4.120 -0.001 0.000 0.297 33 V C 1.458 177.697 176.094 0.242 0.000 1.024 33 V CA 1.588 63.937 62.300 0.082 0.000 1.105 33 V CB 0.684 32.567 31.823 0.100 0.000 0.938 33 V HN 1.173 nan 8.190 nan 0.000 0.482 34 G N 3.579 112.470 108.800 0.153 0.000 2.225 34 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.254 34 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.254 34 G C 0.421 175.352 174.900 0.050 0.000 0.988 34 G CA 0.171 45.380 45.100 0.181 0.000 0.625 34 G HN 1.599 nan 8.290 nan 0.000 0.527 35 A N 0.657 123.490 122.820 0.021 0.000 2.362 35 A HA 0.670 4.990 4.320 -0.001 0.000 0.276 35 A C 0.816 178.399 177.584 -0.001 0.000 1.153 35 A CA 0.764 52.796 52.037 -0.007 0.000 0.813 35 A CB 0.479 19.474 19.000 -0.007 0.000 1.081 35 A HN 1.120 nan 8.150 nan 0.000 0.507 36 S N 3.355 119.057 115.700 0.004 0.000 2.670 36 S HA 0.096 4.566 4.470 -0.001 0.000 0.328 36 S C -0.095 174.515 174.600 0.017 0.000 1.179 36 S CA -0.110 58.095 58.200 0.008 0.000 1.194 36 S CB -0.336 62.873 63.200 0.016 0.000 1.359 36 S HN 0.649 nan 8.310 nan 0.000 0.555 37 E N 2.930 123.135 120.200 0.007 0.000 2.152 37 E HA 0.133 4.482 4.350 -0.001 0.000 0.285 37 E C 0.025 176.643 176.600 0.029 0.000 1.043 37 E CA -0.444 55.979 56.400 0.039 0.000 0.839 37 E CB 0.583 30.321 29.700 0.064 0.000 1.069 37 E HN 0.425 nan 8.360 nan 0.000 0.399 38 N N 3.365 122.091 118.700 0.044 0.000 2.514 38 N HA 0.090 4.830 4.740 -0.001 0.000 0.277 38 N C -0.935 174.590 175.510 0.024 0.000 1.126 38 N CA -0.239 52.825 53.050 0.023 0.000 0.978 38 N CB 0.487 38.990 38.487 0.026 0.000 1.106 38 N HN 0.286 nan 8.380 nan 0.000 0.461 39 I N 4.172 124.732 120.570 -0.016 0.000 2.537 39 I HA 0.207 4.377 4.170 -0.001 0.000 0.276 39 I C -0.235 175.814 176.117 -0.114 0.000 1.063 39 I CA -0.761 60.527 61.300 -0.021 0.000 1.144 39 I CB 0.534 38.535 38.000 0.000 0.000 1.252 39 I HN 0.185 nan 8.210 nan 0.000 0.480 40 V N 6.555 126.366 119.914 -0.171 0.000 2.740 40 V HA 0.249 4.369 4.120 -0.001 0.000 0.303 40 V C 0.316 176.276 176.094 -0.223 0.000 1.054 40 V CA -0.020 62.046 62.300 -0.389 0.000 1.106 40 V CB 2.110 33.653 31.823 -0.466 0.000 0.957 40 V HN 0.588 nan 8.190 nan 0.000 0.486 41 I N 4.829 125.243 120.570 -0.259 0.000 2.498 41 I HA 0.585 4.755 4.170 -0.001 0.000 0.290 41 I C -0.694 175.401 176.117 -0.036 0.000 1.032 41 I CA -0.269 60.976 61.300 -0.092 0.000 1.073 41 I CB 1.514 39.473 38.000 -0.067 0.000 1.251 41 I HN 0.800 nan 8.210 nan 0.000 0.426 42 Q N 6.820 126.664 119.800 0.073 0.000 2.377 42 Q HA 0.655 4.995 4.340 -0.001 0.000 0.279 42 Q C -2.382 173.730 176.000 0.187 0.000 1.049 42 Q CA -0.570 55.316 55.803 0.139 0.000 0.825 42 Q CB 3.178 32.018 28.738 0.169 0.000 1.401 42 Q HN 0.642 nan 8.270 nan 0.000 0.404 43 V N 3.021 123.047 119.914 0.186 0.000 3.216 43 V HA 0.365 4.484 4.120 -0.001 0.000 0.302 43 V C -1.808 174.373 176.094 0.146 0.000 1.286 43 V CA -0.401 62.002 62.300 0.171 0.000 1.048 43 V CB 2.277 34.185 31.823 0.142 0.000 1.081 43 V HN 0.927 nan 8.190 nan 0.000 0.442 44 Y N 3.007 123.294 120.300 -0.021 0.000 2.645 44 Y HA 0.621 5.170 4.550 -0.001 0.000 0.307 44 Y C 0.969 176.766 175.900 -0.171 0.000 1.151 44 Y CA -0.145 57.940 58.100 -0.025 0.000 1.291 44 Y CB -0.184 38.291 38.460 0.024 0.000 1.135 44 Y HN 0.776 nan 8.280 nan 0.000 0.523 45 G N 0.492 109.022 108.800 -0.449 0.000 2.554 45 G HA2 0.063 4.023 3.960 -0.001 0.000 0.238 45 G HA3 0.063 4.023 3.960 -0.001 0.000 0.238 45 G C -0.210 174.219 174.900 -0.784 0.000 1.259 45 G CA -0.199 44.421 45.100 -0.800 0.000 0.843 45 G HN 0.537 nan 8.290 nan 0.000 0.582 46 Y N -0.355 119.724 120.300 -0.368 0.000 2.546 46 Y HA 0.249 4.799 4.550 -0.001 0.000 0.455 46 Y C 2.264 178.150 175.900 -0.023 0.000 1.363 46 Y CA 0.250 58.232 58.100 -0.198 0.000 2.050 46 Y CB -0.860 37.521 38.460 -0.131 0.000 1.778 46 Y HN 0.379 nan 8.280 nan 0.000 0.675 47 T N -1.038 113.729 114.554 0.355 0.000 2.833 47 T HA -0.164 4.185 4.350 -0.001 0.000 0.269 47 T C 0.448 175.405 174.700 0.427 0.000 1.054 47 T CA 1.400 63.706 62.100 0.342 0.000 1.135 47 T CB -0.440 68.555 68.868 0.213 0.000 0.869 47 T HN 0.561 nan 8.240 nan 0.000 0.466 48 E N 1.757 122.231 120.200 0.456 0.000 2.161 48 E HA 0.381 4.731 4.350 -0.001 0.000 0.263 48 E C 0.095 176.975 176.600 0.466 0.000 1.185 48 E CA -0.684 55.959 56.400 0.405 0.000 0.938 48 E CB 0.107 30.067 29.700 0.432 0.000 1.023 48 E HN 0.394 nan 8.360 nan 0.000 0.433 49 A N 4.413 127.516 122.820 0.472 0.000 2.492 49 A HA 0.365 4.684 4.320 -0.001 0.000 0.236 49 A C -0.293 177.616 177.584 0.543 0.000 1.078 49 A CA 0.229 52.564 52.037 0.497 0.000 0.773 49 A CB -0.051 19.105 19.000 0.259 0.000 1.023 49 A HN 0.664 nan 8.150 nan 0.000 0.504 50 F N -1.382 118.707 119.950 0.231 0.000 2.703 50 F HA 0.520 5.046 4.527 -0.001 0.000 0.308 50 F C -1.003 174.939 175.800 0.236 0.000 1.126 50 F CA -1.414 56.721 58.000 0.224 0.000 0.959 50 F CB 0.788 39.865 39.000 0.128 0.000 1.297 50 F HN 0.423 nan 8.300 nan 0.000 0.441 51 D N 1.461 122.086 120.400 0.376 0.000 2.357 51 D HA 0.527 5.166 4.640 -0.001 0.000 0.242 51 D C -0.549 175.781 176.300 0.049 0.000 1.153 51 D CA 0.367 54.476 54.000 0.182 0.000 0.918 51 D CB 1.760 42.622 40.800 0.103 0.000 1.181 51 D HN 0.931 nan 8.370 nan 0.000 0.435 52 A N 1.455 124.209 122.820 -0.111 0.000 2.768 52 A HA 0.360 4.680 4.320 -0.001 0.000 0.299 52 A C -0.075 177.441 177.584 -0.112 0.000 1.171 52 A CA -0.687 51.317 52.037 -0.055 0.000 0.759 52 A CB 0.648 19.607 19.000 -0.069 0.000 1.267 52 A HN 0.323 nan 8.150 nan 0.000 0.421 53 T N 2.253 116.742 114.554 -0.107 0.000 2.899 53 T HA 0.599 4.949 4.350 -0.001 0.000 0.295 53 T C 0.017 174.706 174.700 -0.018 0.000 1.033 53 T CA 0.472 62.526 62.100 -0.076 0.000 1.084 53 T CB 0.322 69.169 68.868 -0.033 0.000 0.979 53 T HN 0.465 nan 8.240 nan 0.000 0.532 54 I N 2.173 122.740 120.570 -0.006 0.000 2.619 54 I HA 0.470 4.639 4.170 -0.001 0.000 0.292 54 I C -0.279 175.844 176.117 0.010 0.000 1.100 54 I CA -0.655 60.647 61.300 0.003 0.000 1.043 54 I CB 2.217 40.213 38.000 -0.007 0.000 1.239 54 I HN 0.727 nan 8.210 nan 0.000 0.420 55 S N 5.653 121.363 115.700 0.017 0.000 2.625 55 S HA 0.717 5.187 4.470 -0.001 0.000 0.271 55 S C -0.827 173.794 174.600 0.034 0.000 1.161 55 S CA -0.920 57.293 58.200 0.021 0.000 0.820 55 S CB 2.115 65.328 63.200 0.022 0.000 1.137 55 S HN 0.566 nan 8.310 nan 0.000 0.470 56 I N -0.647 119.959 120.570 0.060 0.000 2.390 56 I HA 0.653 4.823 4.170 -0.001 0.000 0.283 56 I C -0.817 175.428 176.117 0.213 0.000 1.016 56 I CA -0.679 60.695 61.300 0.122 0.000 1.151 56 I CB 0.928 38.985 38.000 0.096 0.000 1.293 56 I HN 0.478 nan 8.210 nan 0.000 0.458 57 K N 3.617 124.141 120.400 0.206 0.000 2.352 57 K HA 0.610 4.930 4.320 -0.001 0.000 0.240 57 K C 0.128 176.923 176.600 0.325 0.000 1.017 57 K CA -0.803 55.581 56.287 0.162 0.000 0.851 57 K CB 2.215 34.765 32.500 0.084 0.000 1.261 57 K HN 0.781 nan 8.250 nan 0.000 0.451 58 S N -0.451 115.415 115.700 0.277 0.000 2.646 58 S HA 0.200 4.670 4.470 -0.001 0.000 0.273 58 S C -0.352 174.575 174.600 0.546 0.000 1.168 58 S CA -0.559 57.871 58.200 0.383 0.000 1.013 58 S CB 0.086 63.449 63.200 0.272 0.000 1.098 58 S HN 0.448 nan 8.310 nan 0.000 0.544 59 Y N 2.202 122.716 120.300 0.355 0.000 2.304 59 Y HA 0.340 4.889 4.550 -0.001 0.000 0.327 59 Y C -2.089 173.946 175.900 0.225 0.000 1.209 59 Y CA -1.874 56.485 58.100 0.432 0.000 1.299 59 Y CB -0.171 38.446 38.460 0.261 0.000 1.249 59 Y HN 0.507 nan 8.280 nan 0.000 0.519 60 P HA -0.238 nan 4.420 nan 0.000 0.020 60 P C -1.540 175.676 177.300 -0.139 0.000 0.587 60 P CA 1.841 64.779 63.100 -0.269 0.000 1.026 60 P CB -0.902 30.601 31.700 -0.328 0.000 1.884 61 D N -2.653 117.691 120.400 -0.093 0.000 2.192 61 D HA 0.063 4.703 4.640 -0.001 0.000 0.200 61 D C -0.449 175.843 176.300 -0.012 0.000 1.281 61 D CA -0.838 53.133 54.000 -0.048 0.000 0.895 61 D CB 0.439 41.240 40.800 0.001 0.000 1.643 61 D HN -0.198 nan 8.370 nan 0.000 0.510 62 K N 2.338 122.704 120.400 -0.057 0.000 3.277 62 K HA 0.123 4.443 4.320 -0.001 0.000 0.280 62 K C 1.079 177.666 176.600 -0.021 0.000 1.182 62 K CA -0.523 55.744 56.287 -0.032 0.000 1.219 62 K CB 0.344 32.803 32.500 -0.069 0.000 1.373 62 K HN 0.282 nan 8.250 nan 0.000 0.392 63 K N 0.280 120.690 120.400 0.018 0.000 1.995 63 K HA 0.045 4.364 4.320 -0.001 0.000 0.207 63 K C 0.448 177.015 176.600 -0.056 0.000 1.041 63 K CA 0.926 57.214 56.287 0.001 0.000 0.942 63 K CB -0.095 32.451 32.500 0.076 0.000 0.731 63 K HN 0.094 nan 8.250 nan 0.000 0.439 64 F N 2.219 122.080 119.950 -0.148 0.000 2.467 64 F HA 0.008 4.534 4.527 -0.001 0.000 0.362 64 F C 0.645 176.201 175.800 -0.407 0.000 1.090 64 F CA -0.093 57.741 58.000 -0.276 0.000 1.202 64 F CB 0.585 39.386 39.000 -0.332 0.000 1.113 64 F HN -0.066 nan 8.300 nan 0.000 0.541 65 S N 3.773 119.301 115.700 -0.288 0.000 2.733 65 S HA 0.307 4.777 4.470 -0.001 0.000 0.307 65 S C 0.140 174.619 174.600 -0.202 0.000 1.127 65 S CA -0.735 57.319 58.200 -0.244 0.000 1.097 65 S CB 0.006 63.138 63.200 -0.113 0.000 1.003 65 S HN 0.525 nan 8.310 nan 0.000 0.477 66 Y N 2.728 123.078 120.300 0.083 0.000 2.242 66 Y HA 0.093 4.643 4.550 -0.001 0.000 0.291 66 Y C 1.530 177.443 175.900 0.023 0.000 1.137 66 Y CA 0.786 58.926 58.100 0.065 0.000 1.181 66 Y CB -0.261 38.228 38.460 0.048 0.000 0.989 66 Y HN 0.922 nan 8.280 nan 0.000 0.527 67 S N -1.387 114.402 115.700 0.148 0.000 2.595 67 S HA 0.696 5.166 4.470 -0.001 0.000 0.270 67 S C -0.662 173.964 174.600 0.043 0.000 1.145 67 S CA -0.373 57.872 58.200 0.074 0.000 0.825 67 S CB 1.662 64.901 63.200 0.065 0.000 1.107 67 S HN 0.268 nan 8.310 nan 0.000 0.461 68 S N 0.132 115.851 115.700 0.031 0.000 2.973 68 S HA 1.006 5.475 4.470 -0.001 0.000 0.317 68 S C -0.107 174.513 174.600 0.033 0.000 1.196 68 S CA -0.562 57.655 58.200 0.028 0.000 0.894 68 S CB 0.900 64.119 63.200 0.032 0.000 1.292 68 S HN 2.319 nan 8.310 nan 0.000 0.614 69 G N -0.224 108.602 108.800 0.044 0.000 2.524 69 G HA2 0.451 4.411 3.960 -0.001 0.000 0.306 69 G HA3 0.451 4.411 3.960 -0.001 0.000 0.306 69 G C -1.655 173.290 174.900 0.075 0.000 1.420 69 G CA -0.757 44.377 45.100 0.057 0.000 1.086 69 G HN 0.889 nan 8.290 nan 0.000 0.591 70 H N 2.170 121.255 119.070 0.024 0.000 2.638 70 H HA 0.385 4.941 4.556 -0.001 0.000 0.232 70 H C 0.994 176.352 175.328 0.050 0.000 1.756 70 H CA -0.225 55.845 56.048 0.037 0.000 1.234 70 H CB 0.022 29.803 29.762 0.031 0.000 1.616 70 H HN 0.522 nan 8.280 nan 0.000 0.510 71 V N 0.571 120.495 119.914 0.017 0.000 2.397 71 V HA 0.107 4.226 4.120 -0.001 0.000 0.262 71 V C 0.323 176.410 176.094 -0.011 0.000 1.047 71 V CA -0.541 61.773 62.300 0.022 0.000 1.003 71 V CB 0.146 31.962 31.823 -0.010 0.000 1.037 71 V HN 0.575 nan 8.190 nan 0.000 0.480 72 H N 6.815 125.860 119.070 -0.040 0.000 2.517 72 H HA 0.598 5.154 4.556 -0.001 0.000 0.317 72 H C -0.646 174.627 175.328 -0.092 0.000 1.080 72 H CA -0.681 55.324 56.048 -0.071 0.000 1.301 72 H CB 1.656 31.431 29.762 0.022 0.000 1.425 72 H HN 0.849 nan 8.280 nan 0.000 0.471 73 L N 2.981 123.774 121.223 -0.717 0.000 2.365 73 L HA 0.716 5.056 4.340 -0.001 0.000 0.267 73 L C -0.134 176.301 176.870 -0.725 0.000 1.033 73 L CA -0.959 53.531 54.840 -0.584 0.000 0.802 73 L CB 1.784 43.648 42.059 -0.324 0.000 1.267 73 L HN 0.695 nan 8.230 nan 0.000 0.457 74 S N -1.887 113.424 115.700 -0.648 0.000 2.636 74 S HA 0.236 4.705 4.470 -0.001 0.000 0.266 74 S C 0.144 173.869 174.600 -1.459 0.000 1.147 74 S CA -0.319 57.420 58.200 -0.769 0.000 0.815 74 S CB 1.028 64.015 63.200 -0.356 0.000 1.119 74 S HN 0.491 nan 8.310 nan 0.000 0.470 75 S N 0.223 115.252 115.700 -1.120 0.000 2.493 75 S HA -0.076 4.394 4.470 -0.001 0.000 0.243 75 S C 1.538 175.871 174.600 -0.445 0.000 0.991 75 S CA 1.650 59.391 58.200 -0.765 0.000 0.957 75 S CB -0.530 62.540 63.200 -0.218 0.000 0.756 75 S HN 0.706 nan 8.310 nan 0.000 0.521 76 E N 2.559 122.532 120.200 -0.379 0.000 2.028 76 E HA -0.020 4.329 4.350 -0.001 0.000 0.190 76 E C 1.292 177.761 176.600 -0.218 0.000 0.984 76 E CA 0.948 57.215 56.400 -0.221 0.000 0.800 76 E CB -0.198 29.412 29.700 -0.150 0.000 0.758 76 E HN 0.245 nan 8.360 nan 0.000 0.448 77 N N 0.680 119.217 118.700 -0.272 0.000 2.389 77 N HA 0.002 4.741 4.740 -0.001 0.000 0.237 77 N C -0.656 174.740 175.510 -0.190 0.000 1.148 77 N CA 0.136 53.076 53.050 -0.184 0.000 0.854 77 N CB -0.161 38.245 38.487 -0.136 0.000 1.115 77 N HN 0.049 nan 8.380 nan 0.000 0.492 78 K N 0.304 120.551 120.400 -0.255 0.000 2.971 78 K HA -0.258 4.062 4.320 -0.001 0.000 0.265 78 K C -0.447 176.128 176.600 -0.042 0.000 1.052 78 K CA 0.521 56.705 56.287 -0.172 0.000 0.780 78 K CB -2.501 29.941 32.500 -0.097 0.000 1.214 78 K HN 0.539 nan 8.250 nan 0.000 0.478 79 F N -0.687 119.206 119.950 -0.095 0.000 2.807 79 F HA -0.306 4.221 4.527 -0.001 0.000 0.297 79 F C 0.452 176.209 175.800 -0.072 0.000 1.024 79 F CA 0.976 58.898 58.000 -0.130 0.000 1.008 79 F CB -1.298 37.638 39.000 -0.106 0.000 1.142 79 F HN 0.239 nan 8.300 nan 0.000 0.829 80 Q N 0.559 120.400 119.800 0.067 0.000 2.295 80 Q HA 0.539 4.878 4.340 -0.001 0.000 0.268 80 Q C -0.808 175.256 176.000 0.106 0.000 1.010 80 Q CA -1.087 54.792 55.803 0.127 0.000 0.856 80 Q CB 2.758 31.685 28.738 0.315 0.000 1.349 80 Q HN 0.249 nan 8.270 nan 0.000 0.412 81 N N -0.016 118.655 118.700 -0.047 0.000 2.571 81 N HA 0.537 5.277 4.740 -0.001 0.000 0.273 81 N C -1.598 173.772 175.510 -0.234 0.000 1.340 81 N CA -0.500 52.513 53.050 -0.061 0.000 0.789 81 N CB 2.465 40.914 38.487 -0.063 0.000 1.514 81 N HN 0.388 nan 8.380 nan 0.000 0.499 82 S N -0.581 115.060 115.700 -0.098 0.000 2.526 82 S HA 0.903 5.372 4.470 -0.001 0.000 0.293 82 S C -1.528 173.045 174.600 -0.043 0.000 1.092 82 S CA -0.487 57.643 58.200 -0.118 0.000 0.980 82 S CB 0.959 64.164 63.200 0.010 0.000 1.048 82 S HN 0.652 nan 8.310 nan 0.000 0.483 83 A N 3.326 126.118 122.820 -0.046 0.000 2.427 83 A HA 0.643 4.963 4.320 -0.001 0.000 0.298 83 A C -0.499 177.077 177.584 -0.012 0.000 1.036 83 A CA -0.805 51.221 52.037 -0.018 0.000 0.701 83 A CB 0.760 19.747 19.000 -0.021 0.000 1.250 83 A HN 0.976 nan 8.150 nan 0.000 0.412 84 I N 1.625 122.194 120.570 -0.000 0.000 2.257 84 I HA 0.392 4.561 4.170 -0.001 0.000 0.290 84 I C -0.597 175.514 176.117 -0.009 0.000 1.137 84 I CA -0.609 60.691 61.300 -0.001 0.000 1.255 84 I CB -0.270 37.736 38.000 0.010 0.000 1.485 84 I HN 0.237 nan 8.210 nan 0.000 0.534 85 L N 3.528 124.733 121.223 -0.031 0.000 2.475 85 L HA 0.481 4.821 4.340 -0.001 0.000 0.250 85 L C 0.620 177.450 176.870 -0.066 0.000 1.224 85 L CA 0.306 55.113 54.840 -0.055 0.000 0.821 85 L CB 0.856 42.849 42.059 -0.111 0.000 1.141 85 L HN 0.736 nan 8.230 nan 0.000 0.494 86 T N 1.064 115.572 114.554 -0.077 0.000 4.242 86 T HA 0.296 4.646 4.350 -0.001 0.000 0.422 86 T C -0.842 173.808 174.700 -0.083 0.000 1.136 86 T CA -0.570 61.484 62.100 -0.076 0.000 1.071 86 T CB -0.020 68.834 68.868 -0.025 0.000 1.260 86 T HN 0.312 nan 8.240 nan 0.000 0.453 87 I N 5.562 126.029 120.570 -0.172 0.000 2.389 87 I HA 0.208 4.378 4.170 -0.001 0.000 0.295 87 I C 1.254 177.251 176.117 -0.201 0.000 1.117 87 I CA -0.386 60.732 61.300 -0.304 0.000 1.317 87 I CB 0.604 38.338 38.000 -0.443 0.000 1.431 87 I HN 0.540 nan 8.210 nan 0.000 0.521 88 Q N 7.039 126.765 119.800 -0.124 0.000 2.407 88 Q HA 0.296 4.635 4.340 -0.001 0.000 0.214 88 Q C -2.102 173.835 176.000 -0.105 0.000 1.043 88 Q CA -1.757 54.012 55.803 -0.058 0.000 0.983 88 Q CB 0.075 28.824 28.738 0.018 0.000 1.211 88 Q HN 0.331 nan 8.270 nan 0.000 0.564 89 P HA -0.138 nan 4.420 nan 0.000 0.260 89 P C -0.161 177.119 177.300 -0.035 0.000 1.172 89 P CA 0.944 63.983 63.100 -0.102 0.000 0.760 89 P CB 0.390 32.013 31.700 -0.129 0.000 0.773 90 K N 2.688 123.068 120.400 -0.034 0.000 2.443 90 K HA 0.122 4.442 4.320 -0.001 0.000 0.200 90 K C 0.124 176.713 176.600 -0.018 0.000 1.278 90 K CA 0.219 56.520 56.287 0.024 0.000 0.925 90 K CB 0.762 33.296 32.500 0.056 0.000 1.225 90 K HN 0.466 nan 8.250 nan 0.000 0.514 91 Q N 0.643 120.426 119.800 -0.030 0.000 2.378 91 Q HA 0.321 4.661 4.340 -0.001 0.000 0.262 91 Q C -2.096 173.871 176.000 -0.056 0.000 0.978 91 Q CA -0.538 55.241 55.803 -0.041 0.000 0.918 91 Q CB 1.796 30.512 28.738 -0.036 0.000 1.415 91 Q HN 0.227 nan 8.270 nan 0.000 0.409 92 L N 5.081 126.266 121.223 -0.063 0.000 2.513 92 L HA 0.294 4.634 4.340 -0.001 0.000 0.256 92 L C -2.282 174.550 176.870 -0.063 0.000 1.163 92 L CA -1.023 53.768 54.840 -0.081 0.000 0.895 92 L CB 1.387 43.377 42.059 -0.115 0.000 1.076 92 L HN 0.631 nan 8.230 nan 0.000 0.491 93 P HA 0.133 nan 4.420 nan 0.000 0.286 93 P C 1.005 178.280 177.300 -0.041 0.000 1.278 93 P CA -0.068 63.008 63.100 -0.039 0.000 0.785 93 P CB 0.614 32.295 31.700 -0.031 0.000 1.269 94 G N -2.009 106.772 108.800 -0.032 0.000 2.939 94 G HA2 0.326 4.286 3.960 -0.001 0.000 0.210 94 G HA3 0.326 4.286 3.960 -0.001 0.000 0.210 94 G C 0.734 175.616 174.900 -0.030 0.000 1.160 94 G CA 0.473 45.555 45.100 -0.030 0.000 0.770 94 G HN 0.733 nan 8.290 nan 0.000 0.543 95 G N -0.851 107.931 108.800 -0.031 0.000 4.802 95 G HA2 0.359 4.319 3.960 -0.001 0.000 0.238 95 G HA3 0.359 4.319 3.960 -0.001 0.000 0.238 95 G C -0.468 174.415 174.900 -0.029 0.000 0.974 95 G CA -0.389 44.693 45.100 -0.029 0.000 0.798 95 G HN 0.262 nan 8.290 nan 0.000 0.301 96 Q N 0.876 120.656 119.800 -0.033 0.000 2.274 96 Q HA 0.428 4.767 4.340 -0.001 0.000 0.268 96 Q C -1.294 174.681 176.000 -0.041 0.000 1.015 96 Q CA -0.642 55.143 55.803 -0.030 0.000 0.775 96 Q CB 1.756 30.482 28.738 -0.020 0.000 1.256 96 Q HN 0.068 nan 8.270 nan 0.000 0.442 97 N N 3.509 122.182 118.700 -0.045 0.000 2.527 97 N HA 0.410 5.150 4.740 -0.001 0.000 0.236 97 N C -2.261 173.229 175.510 -0.035 0.000 0.999 97 N CA -1.148 51.862 53.050 -0.067 0.000 0.935 97 N CB 0.844 39.277 38.487 -0.091 0.000 1.132 97 N HN 0.427 nan 8.380 nan 0.000 0.511 98 P HA 0.550 nan 4.420 nan 0.000 0.348 98 P C -0.721 176.622 177.300 0.072 0.000 1.286 98 P CA -0.693 62.420 63.100 0.022 0.000 0.781 98 P CB 0.783 32.492 31.700 0.015 0.000 1.688 99 V N -2.643 117.330 119.914 0.099 0.000 3.447 99 V HA 0.089 4.209 4.120 -0.001 0.000 0.494 99 V C -0.518 175.672 176.094 0.160 0.000 0.682 99 V CA 0.370 62.760 62.300 0.150 0.000 2.042 99 V CB -1.867 30.097 31.823 0.235 0.000 2.480 99 V HN 0.924 nan 8.190 nan 0.000 0.505 100 S N 2.403 118.157 115.700 0.091 0.000 2.804 100 S HA 0.518 4.988 4.470 -0.001 0.000 0.296 100 S C -1.149 173.490 174.600 0.065 0.000 0.865 100 S CA -0.257 57.975 58.200 0.054 0.000 0.809 100 S CB 0.546 63.849 63.200 0.172 0.000 1.011 100 S HN 2.048 nan 8.310 nan 0.000 0.495 101 Y N -0.732 119.411 120.300 -0.261 0.000 2.523 101 Y HA -0.187 4.363 4.550 -0.001 0.000 0.023 101 Y C 0.219 175.978 175.900 -0.235 0.000 1.717 101 Y CA 0.705 58.578 58.100 -0.379 0.000 1.407 101 Y CB -0.788 37.193 38.460 -0.798 0.000 2.054 101 Y HN 0.906 nan 8.280 nan 0.000 0.257 102 V N -1.481 118.418 119.914 -0.025 0.000 3.080 102 V HA 0.837 4.957 4.120 -0.001 0.000 0.311 102 V C -1.584 174.523 176.094 0.022 0.000 1.389 102 V CA -1.655 60.729 62.300 0.139 0.000 1.049 102 V CB 2.634 34.594 31.823 0.228 0.000 1.078 102 V HN 0.611 nan 8.190 nan 0.000 0.468 103 Y N 0.646 121.113 120.300 0.279 0.000 2.327 103 Y HA 0.726 5.275 4.550 -0.001 0.000 0.325 103 Y C -0.377 175.648 175.900 0.208 0.000 0.999 103 Y CA -0.408 57.831 58.100 0.230 0.000 1.195 103 Y CB 1.963 40.535 38.460 0.187 0.000 1.132 103 Y HN 0.764 nan 8.280 nan 0.000 0.455 104 L N 3.558 124.989 121.223 0.346 0.000 2.395 104 L HA 0.492 4.832 4.340 -0.001 0.000 0.269 104 L C -0.393 176.594 176.870 0.195 0.000 1.133 104 L CA 0.105 55.101 54.840 0.259 0.000 0.812 104 L CB 1.077 43.349 42.059 0.355 0.000 1.125 104 L HN 0.704 nan 8.230 nan 0.000 0.452 105 E N 2.489 122.762 120.200 0.121 0.000 2.314 105 E HA 0.611 4.960 4.350 -0.001 0.000 0.272 105 E C -1.946 174.683 176.600 0.049 0.000 0.884 105 E CA -0.783 55.669 56.400 0.086 0.000 0.753 105 E CB 2.174 31.919 29.700 0.074 0.000 1.213 105 E HN 0.449 nan 8.360 nan 0.000 0.432 106 V N 3.627 123.562 119.914 0.035 0.000 2.531 106 V HA 0.443 4.563 4.120 -0.001 0.000 0.301 106 V C -0.584 175.535 176.094 0.042 0.000 1.034 106 V CA -0.726 61.588 62.300 0.024 0.000 0.865 106 V CB 1.742 33.565 31.823 -0.001 0.000 0.995 106 V HN 0.478 nan 8.190 nan 0.000 0.424 107 V N 3.759 123.700 119.914 0.045 0.000 2.715 107 V HA 0.940 5.059 4.120 -0.001 0.000 0.310 107 V C 0.081 176.234 176.094 0.099 0.000 1.054 107 V CA -0.160 62.176 62.300 0.060 0.000 0.928 107 V CB 1.978 33.822 31.823 0.036 0.000 1.007 107 V HN 1.095 nan 8.190 nan 0.000 0.437 108 S N 2.358 118.142 115.700 0.140 0.000 2.873 108 S HA 0.422 4.892 4.470 -0.001 0.000 0.303 108 S C 0.511 175.218 174.600 0.178 0.000 1.222 108 S CA -0.171 58.166 58.200 0.228 0.000 0.923 108 S CB 1.775 65.229 63.200 0.423 0.000 1.286 108 S HN 0.646 nan 8.310 nan 0.000 0.571 109 K N -0.123 120.403 120.400 0.210 0.000 2.186 109 K HA 0.057 4.376 4.320 -0.001 0.000 0.202 109 K C 1.743 178.377 176.600 0.055 0.000 1.052 109 K CA 1.190 57.546 56.287 0.115 0.000 0.965 109 K CB -0.380 32.202 32.500 0.137 0.000 0.746 109 K HN 0.751 nan 8.250 nan 0.000 0.457 110 H N -1.602 117.420 119.070 -0.081 0.000 2.553 110 H HA 0.280 4.835 4.556 -0.001 0.000 0.276 110 H C -0.603 174.814 175.328 0.149 0.000 0.979 110 H CA 0.441 56.456 56.048 -0.056 0.000 1.268 110 H CB 0.459 30.065 29.762 -0.259 0.000 1.450 110 H HN 0.089 nan 8.280 nan 0.000 0.527 111 F N -1.038 118.962 119.950 0.084 0.000 2.817 111 F HA 0.462 4.988 4.527 -0.001 0.000 0.317 111 F C -1.394 174.458 175.800 0.087 0.000 1.168 111 F CA -0.682 57.384 58.000 0.110 0.000 0.911 111 F CB 1.749 40.953 39.000 0.341 0.000 1.337 111 F HN -0.150 nan 8.300 nan 0.000 0.464 112 S N 2.648 118.426 115.700 0.130 0.000 2.566 112 S HA 0.678 5.147 4.470 -0.001 0.000 0.273 112 S C -1.826 172.881 174.600 0.178 0.000 1.157 112 S CA -0.520 57.746 58.200 0.110 0.000 0.938 112 S CB 1.505 64.682 63.200 -0.039 0.000 1.087 112 S HN 0.716 nan 8.310 nan 0.000 0.474 113 K N 1.407 121.883 120.400 0.127 0.000 2.536 113 K HA 0.817 5.137 4.320 -0.001 0.000 0.269 113 K C -1.554 175.082 176.600 0.061 0.000 0.965 113 K CA -0.395 55.955 56.287 0.105 0.000 0.860 113 K CB 1.910 34.435 32.500 0.041 0.000 1.423 113 K HN 0.727 nan 8.250 nan 0.000 0.438 114 S N 1.164 116.918 115.700 0.090 0.000 2.596 114 S HA 0.726 5.196 4.470 -0.001 0.000 0.270 114 S C -1.436 173.275 174.600 0.185 0.000 1.155 114 S CA -1.142 57.148 58.200 0.151 0.000 0.827 114 S CB 1.661 64.981 63.200 0.200 0.000 1.130 114 S HN 0.363 nan 8.310 nan 0.000 0.467 115 K N 0.654 121.177 120.400 0.204 0.000 2.395 115 K HA 0.507 4.826 4.320 -0.001 0.000 0.247 115 K C -1.105 175.451 176.600 -0.073 0.000 0.973 115 K CA -0.856 55.477 56.287 0.076 0.000 0.828 115 K CB 1.914 34.401 32.500 -0.021 0.000 1.272 115 K HN 0.687 nan 8.250 nan 0.000 0.439 116 R N 3.381 123.775 120.500 -0.177 0.000 2.287 116 R HA 0.406 4.746 4.340 -0.001 0.000 0.316 116 R C -1.104 175.096 176.300 -0.167 0.000 1.050 116 R CA -0.126 55.776 56.100 -0.330 0.000 0.983 116 R CB -0.075 30.115 30.300 -0.183 0.000 1.140 116 R HN 0.659 nan 8.270 nan 0.000 0.528 117 M N 4.778 124.249 119.600 -0.215 0.000 2.446 117 M HA 0.452 4.932 4.480 -0.001 0.000 0.294 117 M C -2.383 173.687 176.300 -0.383 0.000 1.158 117 M CA -2.205 52.919 55.300 -0.292 0.000 0.899 117 M CB 2.467 34.837 32.600 -0.383 0.000 1.687 117 M HN 0.210 nan 8.290 nan 0.000 0.455 118 P HA 0.352 nan 4.420 nan 0.000 0.274 118 P C -1.114 175.934 177.300 -0.419 0.000 1.264 118 P CA -0.283 62.440 63.100 -0.629 0.000 0.795 118 P CB 0.350 31.693 31.700 -0.596 0.000 1.064 119 I N -4.769 115.566 120.570 -0.391 0.000 2.894 119 I HA 0.633 4.803 4.170 -0.001 0.000 0.302 119 I C -0.987 174.878 176.117 -0.420 0.000 1.188 119 I CA -0.777 60.339 61.300 -0.307 0.000 1.014 119 I CB 2.469 40.318 38.000 -0.250 0.000 1.242 119 I HN 0.088 nan 8.210 nan 0.000 0.430 120 T N 1.498 115.827 114.554 -0.376 0.000 2.924 120 T HA 0.477 4.827 4.350 -0.001 0.000 0.291 120 T C -0.325 174.112 174.700 -0.440 0.000 1.045 120 T CA -0.219 61.645 62.100 -0.394 0.000 1.015 120 T CB 1.548 70.306 68.868 -0.183 0.000 1.103 120 T HN 0.569 nan 8.240 nan 0.000 0.496 121 Y N -0.847 119.457 120.300 0.006 0.000 2.449 121 Y HA 0.253 4.802 4.550 -0.001 0.000 0.254 121 Y C 0.893 176.860 175.900 0.112 0.000 1.140 121 Y CA -0.797 57.337 58.100 0.056 0.000 1.272 121 Y CB 0.168 38.645 38.460 0.028 0.000 1.114 121 Y HN 0.472 nan 8.280 nan 0.000 0.525 122 D N 2.182 122.659 120.400 0.129 0.000 2.389 122 D HA -0.051 4.588 4.640 -0.001 0.000 0.263 122 D C -0.285 175.995 176.300 -0.032 0.000 1.255 122 D CA 0.574 54.601 54.000 0.044 0.000 0.914 122 D CB -0.108 40.674 40.800 -0.031 0.000 1.116 122 D HN 0.345 nan 8.370 nan 0.000 0.502 123 N N 2.760 121.409 118.700 -0.086 0.000 2.549 123 N HA 0.448 5.188 4.740 -0.001 0.000 0.281 123 N C 0.066 175.318 175.510 -0.432 0.000 1.084 123 N CA -0.287 52.577 53.050 -0.310 0.000 0.862 123 N CB 0.750 38.947 38.487 -0.484 0.000 1.333 123 N HN 0.514 nan 8.380 nan 0.000 0.523 124 G N 1.871 110.333 108.800 -0.564 0.000 2.512 124 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.210 124 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.210 124 G C -1.495 172.820 174.900 -0.976 0.000 1.295 124 G CA -0.633 44.070 45.100 -0.663 0.000 0.934 124 G HN 0.453 nan 8.290 nan 0.000 0.554 125 F N -1.001 118.927 119.950 -0.037 0.000 2.608 125 F HA 0.696 5.223 4.527 -0.001 0.000 0.309 125 F C -0.355 175.308 175.800 -0.229 0.000 1.103 125 F CA -1.114 56.813 58.000 -0.122 0.000 0.954 125 F CB 1.978 40.840 39.000 -0.229 0.000 1.267 125 F HN 0.388 nan 8.300 nan 0.000 0.444 126 L N 3.354 124.516 121.223 -0.102 0.000 2.294 126 L HA 0.433 4.773 4.340 -0.001 0.000 0.283 126 L C -1.096 175.620 176.870 -0.257 0.000 1.015 126 L CA -0.610 54.118 54.840 -0.186 0.000 0.831 126 L CB 0.576 42.510 42.059 -0.209 0.000 1.217 126 L HN 0.464 nan 8.230 nan 0.000 0.420 127 F N 4.571 124.581 119.950 0.100 0.000 2.334 127 F HA 0.422 4.948 4.527 -0.001 0.000 0.367 127 F C 0.767 176.582 175.800 0.025 0.000 1.115 127 F CA -0.647 57.394 58.000 0.068 0.000 1.116 127 F CB 0.605 39.746 39.000 0.236 0.000 1.230 127 F HN 0.230 nan 8.300 nan 0.000 0.484 128 I N 3.643 124.295 120.570 0.136 0.000 2.301 128 I HA 0.171 4.341 4.170 -0.001 0.000 0.292 128 I C 0.080 176.296 176.117 0.165 0.000 1.046 128 I CA -0.284 61.047 61.300 0.051 0.000 1.282 128 I CB 0.599 38.556 38.000 -0.071 0.000 1.409 128 I HN 0.606 nan 8.210 nan 0.000 0.484 129 H N 5.867 124.957 119.070 0.033 0.000 2.683 129 H HA 0.221 4.777 4.556 -0.001 0.000 0.270 129 H C -0.204 175.280 175.328 0.260 0.000 1.201 129 H CA -0.472 55.666 56.048 0.150 0.000 1.277 129 H CB 0.996 30.851 29.762 0.156 0.000 1.400 129 H HN 0.668 nan 8.280 nan 0.000 0.504 130 T N 1.832 116.528 114.554 0.236 0.000 2.899 130 T HA -0.072 4.278 4.350 -0.001 0.000 0.295 130 T C 1.513 176.290 174.700 0.128 0.000 1.033 130 T CA -0.269 61.893 62.100 0.104 0.000 1.084 130 T CB 0.909 69.849 68.868 0.120 0.000 0.979 130 T HN 0.808 nan 8.240 nan 0.000 0.532 131 D N 2.367 122.714 120.400 -0.089 0.000 2.269 131 D HA -0.024 4.616 4.640 -0.001 0.000 0.208 131 D C 0.479 176.837 176.300 0.097 0.000 0.963 131 D CA 0.829 54.797 54.000 -0.053 0.000 0.864 131 D CB 0.018 40.480 40.800 -0.562 0.000 0.936 131 D HN 0.833 nan 8.370 nan 0.000 0.505 132 K N -1.939 118.483 120.400 0.036 0.000 2.660 132 K HA 0.292 4.611 4.320 -0.001 0.000 0.285 132 K C -2.998 173.493 176.600 -0.182 0.000 0.997 132 K CA -1.147 55.069 56.287 -0.117 0.000 0.861 132 K CB 1.276 33.556 32.500 -0.366 0.000 1.469 132 K HN -0.380 nan 8.250 nan 0.000 0.395 133 P HA 0.088 nan 4.420 nan 0.000 0.245 133 P C -0.390 176.895 177.300 -0.025 0.000 1.203 133 P CA 0.141 63.261 63.100 0.033 0.000 0.792 133 P CB 0.447 32.190 31.700 0.073 0.000 0.997 134 V N 0.129 119.836 119.914 -0.346 0.000 2.577 134 V HA 0.367 4.487 4.120 -0.001 0.000 0.303 134 V C -0.996 174.859 176.094 -0.399 0.000 1.042 134 V CA -0.723 61.458 62.300 -0.199 0.000 0.872 134 V CB 1.673 33.414 31.823 -0.136 0.000 0.998 134 V HN -0.088 nan 8.190 nan 0.000 0.423 135 Y N 1.527 121.901 120.300 0.123 0.000 2.524 135 Y HA 0.733 5.283 4.550 -0.001 0.000 0.344 135 Y C 0.679 176.663 175.900 0.139 0.000 1.012 135 Y CA -0.812 57.332 58.100 0.074 0.000 1.068 135 Y CB 2.434 40.895 38.460 0.001 0.000 1.249 135 Y HN 0.688 nan 8.280 nan 0.000 0.468 136 T N -1.008 113.706 114.554 0.267 0.000 2.940 136 T HA 0.549 4.899 4.350 -0.001 0.000 0.288 136 T C -2.996 171.844 174.700 0.234 0.000 1.033 136 T CA -2.928 59.335 62.100 0.271 0.000 1.033 136 T CB 1.687 70.700 68.868 0.241 0.000 1.079 136 T HN 0.155 nan 8.240 nan 0.000 0.496 137 P HA 0.179 nan 4.420 nan 0.000 0.264 137 P C -0.092 177.262 177.300 0.089 0.000 1.183 137 P CA 0.773 63.974 63.100 0.168 0.000 0.763 137 P CB -0.000 31.834 31.700 0.224 0.000 0.807 138 D N -0.539 119.862 120.400 0.002 0.000 3.099 138 D HA -0.143 4.497 4.640 -0.001 0.000 0.213 138 D C -0.059 176.222 176.300 -0.031 0.000 1.121 138 D CA 1.003 54.984 54.000 -0.032 0.000 0.951 138 D CB -1.295 39.506 40.800 0.002 0.000 1.102 138 D HN 0.545 nan 8.370 nan 0.000 0.423 139 Q N -0.277 119.506 119.800 -0.027 0.000 2.256 139 Q HA 0.557 4.896 4.340 -0.001 0.000 0.232 139 Q C -0.085 175.813 176.000 -0.169 0.000 0.965 139 Q CA -0.246 55.543 55.803 -0.023 0.000 0.908 139 Q CB 1.391 30.189 28.738 0.101 0.000 1.209 139 Q HN -0.061 nan 8.270 nan 0.000 0.489 140 S N 0.556 116.157 115.700 -0.166 0.000 2.451 140 S HA 0.299 4.769 4.470 -0.001 0.000 0.301 140 S C -0.641 173.746 174.600 -0.354 0.000 1.116 140 S CA -0.623 57.411 58.200 -0.276 0.000 1.093 140 S CB 1.095 64.170 63.200 -0.208 0.000 1.017 140 S HN 0.322 nan 8.310 nan 0.000 0.482 141 V N 5.810 125.402 119.914 -0.537 0.000 2.372 141 V HA 0.185 4.305 4.120 -0.001 0.000 0.261 141 V C 0.511 176.350 176.094 -0.424 0.000 1.055 141 V CA -0.393 61.498 62.300 -0.682 0.000 0.930 141 V CB -0.002 31.264 31.823 -0.928 0.000 1.031 141 V HN 0.709 nan 8.190 nan 0.000 0.479 142 K N 3.320 123.428 120.400 -0.486 0.000 2.382 142 K HA 0.522 4.842 4.320 -0.001 0.000 0.275 142 K C -0.501 175.777 176.600 -0.536 0.000 1.009 142 K CA -0.038 55.809 56.287 -0.732 0.000 0.970 142 K CB 1.610 33.205 32.500 -1.508 0.000 0.934 142 K HN 0.468 nan 8.250 nan 0.000 0.479 143 V N 3.676 123.482 119.914 -0.180 0.000 2.852 143 V HA 0.477 4.597 4.120 -0.001 0.000 0.300 143 V C -1.599 174.695 176.094 0.333 0.000 1.205 143 V CA -0.657 61.705 62.300 0.104 0.000 0.940 143 V CB 1.717 33.561 31.823 0.036 0.000 1.047 143 V HN 0.990 nan 8.190 nan 0.000 0.429 144 R N 4.339 125.016 120.500 0.295 0.000 2.885 144 R HA 0.966 5.306 4.340 -0.001 0.000 0.260 144 R C -1.921 174.384 176.300 0.009 0.000 1.107 144 R CA -0.900 55.308 56.100 0.179 0.000 0.978 144 R CB 2.323 32.615 30.300 -0.014 0.000 1.227 144 R HN 0.468 nan 8.270 nan 0.000 0.473 145 V N 0.920 120.795 119.914 -0.066 0.000 2.709 145 V HA 0.408 4.528 4.120 -0.001 0.000 0.308 145 V C -1.652 174.304 176.094 -0.229 0.000 1.062 145 V CA -0.789 61.452 62.300 -0.099 0.000 0.901 145 V CB 1.893 33.822 31.823 0.176 0.000 1.003 145 V HN 0.608 nan 8.190 nan 0.000 0.425 146 Y N 2.241 122.682 120.300 0.234 0.000 2.417 146 Y HA 0.568 5.117 4.550 -0.001 0.000 0.336 146 Y C 0.664 176.736 175.900 0.287 0.000 0.961 146 Y CA -0.840 57.406 58.100 0.243 0.000 1.215 146 Y CB 1.622 40.238 38.460 0.261 0.000 1.120 146 Y HN 0.600 nan 8.280 nan 0.000 0.499 147 S N 3.825 119.719 115.700 0.323 0.000 2.437 147 S HA 0.816 5.286 4.470 -0.001 0.000 0.305 147 S C -1.030 173.741 174.600 0.286 0.000 1.109 147 S CA -0.629 57.732 58.200 0.268 0.000 1.099 147 S CB 1.242 64.600 63.200 0.263 0.000 1.004 147 S HN 0.393 nan 8.310 nan 0.000 0.475 148 L N 3.530 124.935 121.223 0.304 0.000 2.370 148 L HA 0.598 4.938 4.340 -0.001 0.000 0.266 148 L C -0.043 176.963 176.870 0.228 0.000 1.002 148 L CA -0.456 54.569 54.840 0.307 0.000 0.818 148 L CB 1.958 44.271 42.059 0.424 0.000 1.325 148 L HN 0.981 nan 8.230 nan 0.000 0.418 149 N N 0.615 119.382 118.700 0.112 0.000 2.530 149 N HA 0.144 4.883 4.740 -0.001 0.000 0.283 149 N C 0.469 175.984 175.510 0.007 0.000 1.238 149 N CA -0.317 52.700 53.050 -0.055 0.000 0.971 149 N CB 0.383 38.792 38.487 -0.130 0.000 1.195 149 N HN 0.640 nan 8.380 nan 0.000 0.583 150 D N -0.657 119.679 120.400 -0.106 0.000 2.218 150 D HA -0.268 4.372 4.640 -0.001 0.000 0.194 150 D C 0.121 176.473 176.300 0.086 0.000 1.007 150 D CA 1.634 55.615 54.000 -0.032 0.000 0.879 150 D CB -0.319 40.445 40.800 -0.059 0.000 0.918 150 D HN 0.526 nan 8.370 nan 0.000 0.449 151 D N -0.249 120.192 120.400 0.069 0.000 2.340 151 D HA 0.031 4.671 4.640 -0.001 0.000 0.220 151 D C 1.103 177.471 176.300 0.113 0.000 1.039 151 D CA -0.128 53.922 54.000 0.083 0.000 0.866 151 D CB 0.315 41.147 40.800 0.053 0.000 0.913 151 D HN 0.063 nan 8.370 nan 0.000 0.523 152 L N -0.381 120.938 121.223 0.159 0.000 4.429 152 L HA -0.273 4.067 4.340 -0.001 0.000 0.422 152 L C 0.311 177.253 176.870 0.119 0.000 1.149 152 L CA 1.161 56.099 54.840 0.163 0.000 0.972 152 L CB -2.253 39.882 42.059 0.127 0.000 2.059 152 L HN 0.132 nan 8.230 nan 0.000 0.870 153 K N -0.150 120.312 120.400 0.103 0.000 2.087 153 K HA 0.339 4.659 4.320 -0.001 0.000 0.255 153 K C -1.062 175.600 176.600 0.104 0.000 0.988 153 K CA -1.671 54.673 56.287 0.094 0.000 0.915 153 K CB 0.942 33.487 32.500 0.075 0.000 1.043 153 K HN -0.260 nan 8.250 nan 0.000 0.457 154 P HA -0.349 nan 4.420 nan 0.000 0.224 154 P C -0.578 176.783 177.300 0.102 0.000 1.130 154 P CA 2.203 65.373 63.100 0.118 0.000 0.976 154 P CB -0.048 31.721 31.700 0.116 0.000 0.781 155 A N -2.214 120.645 122.820 0.065 0.000 1.940 155 A HA -0.190 4.130 4.320 -0.001 0.000 0.245 155 A C -0.216 177.386 177.584 0.031 0.000 1.356 155 A CA 0.361 52.413 52.037 0.025 0.000 0.699 155 A CB -2.206 16.803 19.000 0.016 0.000 1.180 155 A HN 0.307 nan 8.150 nan 0.000 0.272 156 K N 1.841 122.248 120.400 0.011 0.000 2.264 156 K HA 0.618 4.938 4.320 -0.001 0.000 0.277 156 K C 0.131 176.732 176.600 0.002 0.000 1.067 156 K CA -0.071 56.223 56.287 0.010 0.000 0.900 156 K CB 1.047 33.536 32.500 -0.018 0.000 1.124 156 K HN 0.679 nan 8.250 nan 0.000 0.469 157 R N 1.785 122.315 120.500 0.049 0.000 2.566 157 R HA 0.070 4.409 4.340 -0.001 0.000 0.271 157 R C -1.114 175.287 176.300 0.168 0.000 1.071 157 R CA -0.992 55.148 56.100 0.066 0.000 0.915 157 R CB 1.728 31.989 30.300 -0.064 0.000 1.228 157 R HN 0.683 nan 8.270 nan 0.000 0.449 158 E N 1.869 122.147 120.200 0.131 0.000 2.366 158 E HA 0.131 4.480 4.350 -0.001 0.000 0.266 158 E C -0.731 176.009 176.600 0.234 0.000 1.015 158 E CA 0.007 56.489 56.400 0.136 0.000 0.906 158 E CB 0.687 30.438 29.700 0.084 0.000 0.979 158 E HN 0.319 nan 8.360 nan 0.000 0.443 159 T N 2.341 117.035 114.554 0.233 0.000 2.945 159 T HA 0.420 4.769 4.350 -0.001 0.000 0.286 159 T C -0.508 174.343 174.700 0.252 0.000 1.025 159 T CA -0.802 61.440 62.100 0.238 0.000 1.039 159 T CB 1.614 70.611 68.868 0.214 0.000 1.068 159 T HN 0.360 nan 8.240 nan 0.000 0.497 160 V N 3.748 123.724 119.914 0.103 0.000 2.443 160 V HA 0.281 4.401 4.120 -0.001 0.000 0.272 160 V C -0.855 175.162 176.094 -0.128 0.000 1.002 160 V CA -0.997 61.328 62.300 0.041 0.000 0.840 160 V CB 0.515 32.362 31.823 0.041 0.000 1.042 160 V HN 0.673 nan 8.190 nan 0.000 0.446 161 L N 2.290 123.318 121.223 -0.325 0.000 2.399 161 L HA 0.926 5.266 4.340 -0.001 0.000 0.266 161 L C 0.320 176.986 176.870 -0.339 0.000 1.114 161 L CA -0.176 54.387 54.840 -0.463 0.000 0.804 161 L CB 0.968 42.543 42.059 -0.806 0.000 1.146 161 L HN 0.556 nan 8.230 nan 0.000 0.451 162 T N 0.844 115.196 114.554 -0.337 0.000 2.965 162 T HA 0.604 4.954 4.350 -0.001 0.000 0.306 162 T C -0.628 173.941 174.700 -0.219 0.000 0.991 162 T CA -0.386 61.614 62.100 -0.167 0.000 1.001 162 T CB -0.201 68.613 68.868 -0.090 0.000 0.984 162 T HN 0.273 nan 8.240 nan 0.000 0.446 163 F N 4.307 124.117 119.950 -0.233 0.000 2.518 163 F HA 0.510 5.037 4.527 -0.001 0.000 0.359 163 F C 0.779 176.519 175.800 -0.099 0.000 1.118 163 F CA -0.684 57.175 58.000 -0.236 0.000 1.287 163 F CB 0.504 39.122 39.000 -0.638 0.000 1.132 163 F HN 0.444 nan 8.300 nan 0.000 0.587 164 I N 3.167 123.792 120.570 0.092 0.000 2.478 164 I HA 0.149 4.318 4.170 -0.001 0.000 0.287 164 I C -0.589 175.348 176.117 -0.299 0.000 1.042 164 I CA -1.140 60.117 61.300 -0.071 0.000 1.067 164 I CB 1.636 39.560 38.000 -0.127 0.000 1.233 164 I HN 0.552 nan 8.210 nan 0.000 0.431 165 D N 7.637 127.711 120.400 -0.542 0.000 2.378 165 D HA 0.035 4.675 4.640 -0.001 0.000 0.238 165 D C -2.211 173.591 176.300 -0.831 0.000 1.180 165 D CA -1.500 51.812 54.000 -1.146 0.000 0.895 165 D CB 0.789 41.144 40.800 -0.742 0.000 1.192 165 D HN 0.192 nan 8.370 nan 0.000 0.438 166 P HA 0.064 nan 4.420 nan 0.000 0.279 166 P C -0.203 176.915 177.300 -0.304 0.000 1.451 166 P CA 0.635 63.434 63.100 -0.503 0.000 0.783 166 P CB -0.111 31.344 31.700 -0.407 0.000 1.490 167 E N -1.477 118.543 120.200 -0.300 0.000 2.862 167 E HA 0.246 4.596 4.350 -0.001 0.000 0.204 167 E C 0.408 176.899 176.600 -0.181 0.000 0.966 167 E CA -0.158 56.117 56.400 -0.209 0.000 1.257 167 E CB 0.422 29.998 29.700 -0.207 0.000 1.053 167 E HN 0.113 nan 8.360 nan 0.000 0.487 168 G N 1.914 110.603 108.800 -0.186 0.000 2.291 168 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.271 168 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.271 168 G C -0.280 174.543 174.900 -0.128 0.000 1.099 168 G CA 0.632 45.650 45.100 -0.136 0.000 0.919 168 G HN 0.158 nan 8.290 nan 0.000 0.496 169 S N -0.566 115.041 115.700 -0.154 0.000 2.668 169 S HA 0.528 4.998 4.470 -0.001 0.000 0.277 169 S C 0.239 174.786 174.600 -0.088 0.000 1.170 169 S CA -0.465 57.671 58.200 -0.108 0.000 0.994 169 S CB 0.987 64.107 63.200 -0.133 0.000 1.051 169 S HN 0.459 nan 8.310 nan 0.000 0.484 170 E N 2.019 122.199 120.200 -0.032 0.000 2.458 170 E HA 0.106 4.455 4.350 -0.001 0.000 0.264 170 E C 0.193 176.816 176.600 0.038 0.000 1.097 170 E CA -0.049 56.352 56.400 0.002 0.000 0.973 170 E CB 0.578 30.287 29.700 0.015 0.000 0.963 170 E HN 0.410 nan 8.360 nan 0.000 0.451 171 V N 0.021 119.994 119.914 0.099 0.000 3.332 171 V HA 0.092 4.211 4.120 -0.001 0.000 0.263 171 V C -0.354 175.850 176.094 0.183 0.000 1.562 171 V CA 0.160 62.560 62.300 0.166 0.000 1.040 171 V CB 1.034 33.039 31.823 0.303 0.000 0.857 171 V HN 0.701 nan 8.190 nan 0.000 0.428 172 D N -1.043 119.452 120.400 0.158 0.000 2.692 172 D HA 0.559 5.199 4.640 -0.001 0.000 0.290 172 D C -1.409 174.973 176.300 0.137 0.000 1.281 172 D CA -0.276 53.808 54.000 0.139 0.000 0.804 172 D CB 2.228 43.105 40.800 0.127 0.000 1.331 172 D HN -0.001 nan 8.370 nan 0.000 0.432 173 M N 1.209 120.884 119.600 0.125 0.000 2.605 173 M HA 0.503 4.982 4.480 -0.001 0.000 0.281 173 M C -2.225 174.141 176.300 0.110 0.000 1.166 173 M CA -0.648 54.714 55.300 0.104 0.000 0.875 173 M CB 1.857 34.491 32.600 0.056 0.000 1.732 173 M HN 0.287 nan 8.290 nan 0.000 0.504 174 V N 2.776 122.754 119.914 0.107 0.000 2.971 174 V HA 0.522 4.641 4.120 -0.001 0.000 0.281 174 V C -2.100 174.124 176.094 0.217 0.000 1.470 174 V CA -0.300 62.095 62.300 0.158 0.000 0.966 174 V CB 2.513 34.465 31.823 0.215 0.000 1.156 174 V HN 0.972 nan 8.190 nan 0.000 0.441 175 E N 4.146 124.476 120.200 0.216 0.000 2.235 175 E HA 0.889 5.238 4.350 -0.001 0.000 0.265 175 E C -0.990 175.726 176.600 0.195 0.000 0.940 175 E CA -0.862 55.686 56.400 0.247 0.000 0.819 175 E CB 2.951 32.735 29.700 0.140 0.000 1.206 175 E HN 0.659 nan 8.360 nan 0.000 0.409 176 E N 0.756 121.023 120.200 0.112 0.000 2.372 176 E HA 0.308 4.657 4.350 -0.001 0.000 0.279 176 E C -1.394 175.155 176.600 -0.084 0.000 0.946 176 E CA -0.800 55.541 56.400 -0.098 0.000 0.769 176 E CB 1.556 30.981 29.700 -0.458 0.000 1.230 176 E HN 0.615 nan 8.360 nan 0.000 0.442 177 I N -0.286 120.241 120.570 -0.073 0.000 2.720 177 I HA 0.496 4.666 4.170 -0.001 0.000 0.287 177 I C -0.103 175.976 176.117 -0.063 0.000 1.090 177 I CA -0.130 61.145 61.300 -0.042 0.000 1.384 177 I CB 0.830 38.810 38.000 -0.032 0.000 1.420 177 I HN 0.283 nan 8.210 nan 0.000 0.575 178 D N 2.556 122.935 120.400 -0.034 0.000 2.454 178 D HA 0.221 4.860 4.640 -0.001 0.000 0.225 178 D C 0.320 176.595 176.300 -0.042 0.000 1.081 178 D CA 0.055 54.040 54.000 -0.026 0.000 0.864 178 D CB 0.436 41.257 40.800 0.035 0.000 1.040 178 D HN 0.747 nan 8.370 nan 0.000 0.517 179 H N 2.740 121.746 119.070 -0.107 0.000 2.465 179 H HA 0.172 4.728 4.556 -0.001 0.000 0.289 179 H C 1.636 176.887 175.328 -0.128 0.000 1.022 179 H CA 1.354 57.337 56.048 -0.109 0.000 1.340 179 H CB 0.612 30.290 29.762 -0.140 0.000 1.437 179 H HN 0.590 nan 8.280 nan 0.000 0.539 180 I N -7.075 113.457 120.570 -0.064 0.000 4.922 180 I HA 0.458 4.628 4.170 -0.001 0.000 0.331 180 I C 1.234 177.300 176.117 -0.084 0.000 1.260 180 I CA 0.547 61.753 61.300 -0.158 0.000 1.366 180 I CB 1.630 39.232 38.000 -0.664 0.000 1.386 180 I HN 0.183 nan 8.210 nan 0.000 0.483 181 G N 2.626 111.393 108.800 -0.056 0.000 2.234 181 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.153 181 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.153 181 G C -0.042 174.903 174.900 0.074 0.000 1.013 181 G CA -0.050 45.079 45.100 0.048 0.000 0.712 181 G HN 0.299 nan 8.290 nan 0.000 0.491 182 I N 2.478 123.023 120.570 -0.042 0.000 2.859 182 I HA 0.344 4.513 4.170 -0.001 0.000 0.296 182 I C 0.480 176.519 176.117 -0.130 0.000 1.300 182 I CA -0.741 60.537 61.300 -0.036 0.000 1.020 182 I CB 0.457 38.421 38.000 -0.060 0.000 1.823 182 I HN 0.037 nan 8.210 nan 0.000 0.599 183 I N 2.017 122.513 120.570 -0.124 0.000 2.668 183 I HA -0.021 4.149 4.170 -0.001 0.000 0.285 183 I C 0.416 176.347 176.117 -0.311 0.000 1.168 183 I CA 0.785 61.930 61.300 -0.259 0.000 1.424 183 I CB 0.270 38.099 38.000 -0.285 0.000 1.377 183 I HN 0.374 nan 8.210 nan 0.000 0.560 184 S N 6.766 122.247 115.700 -0.364 0.000 2.528 184 S HA 0.493 4.962 4.470 -0.001 0.000 0.303 184 S C -0.331 174.132 174.600 -0.228 0.000 1.123 184 S CA -0.602 57.489 58.200 -0.181 0.000 1.138 184 S CB 0.124 63.270 63.200 -0.090 0.000 0.984 184 S HN 0.262 nan 8.310 nan 0.000 0.474 185 F N 2.676 122.653 119.950 0.044 0.000 2.370 185 F HA 0.468 4.995 4.527 -0.001 0.000 0.319 185 F C -1.904 173.926 175.800 0.051 0.000 1.129 185 F CA -2.225 55.806 58.000 0.052 0.000 1.109 185 F CB -0.069 38.973 39.000 0.070 0.000 1.262 185 F HN 0.255 nan 8.300 nan 0.000 0.534 186 P HA 0.130 nan 4.420 nan 0.000 0.275 186 P C -1.249 176.098 177.300 0.078 0.000 1.228 186 P CA -0.442 62.723 63.100 0.109 0.000 0.786 186 P CB 0.454 32.201 31.700 0.078 0.000 0.927 187 D N 1.000 121.387 120.400 -0.022 0.000 2.449 187 D HA -0.001 4.639 4.640 -0.001 0.000 0.236 187 D C -0.483 175.740 176.300 -0.127 0.000 1.149 187 D CA 0.414 54.351 54.000 -0.105 0.000 0.878 187 D CB -0.074 40.623 40.800 -0.171 0.000 1.198 187 D HN 0.292 nan 8.370 nan 0.000 0.446 188 F N 1.897 121.603 119.950 -0.406 0.000 2.291 188 F HA 0.164 4.691 4.527 -0.001 0.000 0.368 188 F C 0.390 175.881 175.800 -0.515 0.000 1.085 188 F CA -1.348 56.289 58.000 -0.603 0.000 1.165 188 F CB 0.505 38.897 39.000 -1.013 0.000 1.429 188 F HN -0.011 nan 8.300 nan 0.000 0.503 189 K N 6.845 126.786 120.400 -0.765 0.000 2.430 189 K HA 0.077 4.397 4.320 -0.001 0.000 0.280 189 K C -0.489 175.564 176.600 -0.912 0.000 1.063 189 K CA -0.020 55.869 56.287 -0.662 0.000 1.071 189 K CB -0.014 32.232 32.500 -0.424 0.000 0.899 189 K HN 0.534 nan 8.250 nan 0.000 0.473 190 I N 7.427 127.598 120.570 -0.664 0.000 2.496 190 I HA 0.143 4.313 4.170 -0.001 0.000 0.285 190 I C -1.799 174.136 176.117 -0.303 0.000 1.080 190 I CA -2.331 58.654 61.300 -0.526 0.000 1.404 190 I CB 0.384 38.186 38.000 -0.330 0.000 1.403 190 I HN 0.571 nan 8.210 nan 0.000 0.539 191 P HA 0.013 nan 4.420 nan 0.000 0.270 191 P C 0.768 178.037 177.300 -0.052 0.000 1.216 191 P CA 0.214 63.254 63.100 -0.100 0.000 0.788 191 P CB 0.470 32.158 31.700 -0.021 0.000 0.883 192 S N -0.320 115.375 115.700 -0.009 0.000 2.382 192 S HA -0.124 4.345 4.470 -0.001 0.000 0.228 192 S C 0.999 175.627 174.600 0.047 0.000 1.027 192 S CA 1.374 59.590 58.200 0.025 0.000 0.991 192 S CB -0.552 62.675 63.200 0.046 0.000 0.823 192 S HN 0.591 nan 8.310 nan 0.000 0.469 193 N N 1.271 119.994 118.700 0.038 0.000 2.727 193 N HA 0.339 5.079 4.740 -0.001 0.000 0.252 193 N C -3.428 171.996 175.510 -0.144 0.000 1.283 193 N CA -1.856 51.187 53.050 -0.012 0.000 0.782 193 N CB 1.078 39.598 38.487 0.055 0.000 1.199 193 N HN 0.021 nan 8.380 nan 0.000 0.520 194 P HA 0.336 nan 4.420 nan 0.000 0.278 194 P C -0.535 176.527 177.300 -0.398 0.000 1.266 194 P CA -0.521 62.453 63.100 -0.211 0.000 0.807 194 P CB 0.944 32.587 31.700 -0.094 0.000 1.094 195 R N 0.692 121.137 120.500 -0.092 0.000 2.309 195 R HA 0.187 4.527 4.340 -0.001 0.000 0.331 195 R C -0.576 175.720 176.300 -0.007 0.000 1.116 195 R CA 0.072 56.097 56.100 -0.126 0.000 0.970 195 R CB -1.287 28.918 30.300 -0.159 0.000 1.024 195 R HN 0.355 nan 8.270 nan 0.000 0.472 196 Y N 2.471 122.846 120.300 0.126 0.000 2.465 196 Y HA 0.430 4.979 4.550 -0.001 0.000 0.331 196 Y C 1.394 177.355 175.900 0.102 0.000 1.102 196 Y CA 1.062 59.260 58.100 0.163 0.000 1.358 196 Y CB 1.121 39.646 38.460 0.109 0.000 1.213 196 Y HN 0.791 nan 8.280 nan 0.000 0.525 197 G N 1.739 110.734 108.800 0.325 0.000 2.404 197 G HA2 0.230 4.190 3.960 -0.001 0.000 0.253 197 G HA3 0.230 4.190 3.960 -0.001 0.000 0.253 197 G C -1.666 173.347 174.900 0.189 0.000 1.253 197 G CA -1.181 44.017 45.100 0.164 0.000 0.917 197 G HN 0.352 nan 8.290 nan 0.000 0.480 198 M N 1.113 120.750 119.600 0.062 0.000 2.069 198 M HA 0.641 5.121 4.480 -0.001 0.000 0.349 198 M C -0.971 175.322 176.300 -0.012 0.000 1.194 198 M CA -1.225 54.123 55.300 0.080 0.000 1.081 198 M CB -0.225 32.408 32.600 0.055 0.000 1.500 198 M HN 0.421 nan 8.290 nan 0.000 0.438 199 W N 3.151 124.252 121.300 -0.331 0.000 2.086 199 W HA 0.543 5.203 4.660 -0.001 0.000 0.355 199 W C 0.008 176.263 176.519 -0.441 0.000 1.313 199 W CA 0.048 57.069 57.345 -0.540 0.000 1.358 199 W CB 0.713 29.396 29.460 -1.295 0.000 1.166 199 W HN 0.487 nan 8.180 nan 0.000 0.630 200 T N 2.428 116.880 114.554 -0.169 0.000 2.928 200 T HA 0.497 4.847 4.350 -0.001 0.000 0.296 200 T C -0.787 173.749 174.700 -0.273 0.000 1.000 200 T CA -0.657 61.251 62.100 -0.320 0.000 0.989 200 T CB 0.839 69.539 68.868 -0.281 0.000 1.005 200 T HN 0.123 nan 8.240 nan 0.000 0.442 201 I N 3.483 123.830 120.570 -0.371 0.000 2.371 201 I HA 0.321 4.491 4.170 -0.001 0.000 0.282 201 I C 0.185 176.054 176.117 -0.414 0.000 1.031 201 I CA -0.753 60.283 61.300 -0.441 0.000 1.180 201 I CB 1.029 38.728 38.000 -0.501 0.000 1.336 201 I HN 0.359 nan 8.210 nan 0.000 0.467 202 K N 4.585 124.774 120.400 -0.352 0.000 2.098 202 K HA 0.812 5.131 4.320 -0.001 0.000 0.261 202 K C -0.331 176.096 176.600 -0.288 0.000 0.987 202 K CA -0.470 55.653 56.287 -0.274 0.000 0.916 202 K CB 1.962 34.344 32.500 -0.196 0.000 1.039 202 K HN 0.628 nan 8.250 nan 0.000 0.455 203 A N 2.034 124.709 122.820 -0.242 0.000 2.469 203 A HA 0.728 5.047 4.320 -0.001 0.000 0.299 203 A C -1.468 175.990 177.584 -0.210 0.000 1.098 203 A CA -0.846 51.040 52.037 -0.253 0.000 0.737 203 A CB 1.321 20.154 19.000 -0.278 0.000 1.312 203 A HN 0.791 nan 8.150 nan 0.000 0.414 204 K N 0.194 120.466 120.400 -0.215 0.000 2.625 204 K HA 0.438 4.758 4.320 -0.001 0.000 0.284 204 K C -1.886 174.626 176.600 -0.148 0.000 0.984 204 K CA -0.780 55.402 56.287 -0.175 0.000 0.865 204 K CB 0.795 33.253 32.500 -0.070 0.000 1.468 204 K HN 0.525 nan 8.250 nan 0.000 0.407 205 Y N 1.879 122.217 120.300 0.063 0.000 2.319 205 Y HA 0.109 4.658 4.550 -0.001 0.000 0.328 205 Y C 1.836 177.776 175.900 0.067 0.000 1.133 205 Y CA -0.164 57.994 58.100 0.096 0.000 1.265 205 Y CB 1.658 40.228 38.460 0.183 0.000 1.218 205 Y HN 0.719 nan 8.280 nan 0.000 0.508 206 K N 1.505 122.047 120.400 0.238 0.000 2.002 206 K HA -0.146 4.173 4.320 -0.001 0.000 0.209 206 K C 0.854 177.507 176.600 0.089 0.000 1.048 206 K CA 1.242 57.605 56.287 0.127 0.000 0.930 206 K CB 0.133 32.697 32.500 0.107 0.000 0.714 206 K HN 0.709 nan 8.250 nan 0.000 0.438 207 E N 1.251 121.504 120.200 0.089 0.000 4.556 207 E HA -0.054 4.295 4.350 -0.001 0.000 0.530 207 E C 0.318 176.893 176.600 -0.042 0.000 1.427 207 E CA 0.457 56.855 56.400 -0.003 0.000 3.438 207 E CB -0.183 29.491 29.700 -0.044 0.000 1.625 207 E HN 0.383 nan 8.360 nan 0.000 0.559 208 D N -1.109 119.164 120.400 -0.213 0.000 2.325 208 D HA 0.229 4.869 4.640 -0.001 0.000 0.262 208 D C -0.251 175.903 176.300 -0.244 0.000 1.263 208 D CA -0.240 53.563 54.000 -0.329 0.000 1.020 208 D CB -0.081 40.397 40.800 -0.535 0.000 1.117 208 D HN 0.399 nan 8.370 nan 0.000 0.545 209 F N -2.706 117.263 119.950 0.033 0.000 2.152 209 F HA -0.201 4.326 4.527 -0.001 0.000 0.518 209 F C 1.003 176.876 175.800 0.122 0.000 1.286 209 F CA -0.050 58.002 58.000 0.088 0.000 1.663 209 F CB -1.077 37.957 39.000 0.055 0.000 2.663 209 F HN 0.343 nan 8.300 nan 0.000 0.723 210 S N 0.899 116.785 115.700 0.311 0.000 2.603 210 S HA 0.009 4.479 4.470 -0.001 0.000 0.220 210 S C 0.965 175.655 174.600 0.150 0.000 0.967 210 S CA 0.640 58.952 58.200 0.186 0.000 0.920 210 S CB -0.203 63.114 63.200 0.194 0.000 0.773 210 S HN 0.726 nan 8.310 nan 0.000 0.529 211 T N 1.184 115.849 114.554 0.185 0.000 2.939 211 T HA 0.254 4.603 4.350 -0.001 0.000 0.319 211 T C 0.032 174.746 174.700 0.022 0.000 1.082 211 T CA -0.055 62.097 62.100 0.087 0.000 1.133 211 T CB 0.671 69.587 68.868 0.081 0.000 1.019 211 T HN 0.167 nan 8.240 nan 0.000 0.548 212 T N 1.156 115.709 114.554 -0.002 0.000 2.909 212 T HA 0.689 5.038 4.350 -0.001 0.000 0.299 212 T C 0.135 174.818 174.700 -0.029 0.000 1.073 212 T CA -0.721 61.359 62.100 -0.033 0.000 0.999 212 T CB 2.022 70.888 68.868 -0.004 0.000 1.098 212 T HN 1.037 nan 8.240 nan 0.000 0.477 213 G N 0.768 109.510 108.800 -0.097 0.000 2.519 213 G HA2 0.702 4.662 3.960 -0.001 0.000 0.307 213 G HA3 0.702 4.662 3.960 -0.001 0.000 0.307 213 G C -1.110 173.711 174.900 -0.131 0.000 1.266 213 G CA -0.577 44.456 45.100 -0.112 0.000 0.970 213 G HN 0.705 nan 8.290 nan 0.000 0.481 214 T N -0.565 113.914 114.554 -0.124 0.000 2.903 214 T HA 0.820 5.170 4.350 -0.001 0.000 0.299 214 T C -0.454 174.159 174.700 -0.145 0.000 1.093 214 T CA -0.036 61.965 62.100 -0.164 0.000 1.002 214 T CB 1.935 70.751 68.868 -0.086 0.000 1.127 214 T HN 1.369 nan 8.240 nan 0.000 0.488 215 A N 1.377 124.015 122.820 -0.303 0.000 2.609 215 A HA 0.879 5.199 4.320 -0.001 0.000 0.291 215 A C -2.311 175.058 177.584 -0.359 0.000 1.096 215 A CA -0.796 51.169 52.037 -0.120 0.000 0.684 215 A CB 1.278 20.255 19.000 -0.037 0.000 1.282 215 A HN 0.761 nan 8.150 nan 0.000 0.412 216 Y N -0.946 119.441 120.300 0.144 0.000 2.588 216 Y HA 0.706 5.256 4.550 -0.001 0.000 0.343 216 Y C -0.605 175.496 175.900 0.335 0.000 1.065 216 Y CA -0.649 57.540 58.100 0.148 0.000 1.038 216 Y CB 2.370 40.873 38.460 0.072 0.000 1.297 216 Y HN 0.856 nan 8.280 nan 0.000 0.467 217 F N -1.109 119.047 119.950 0.344 0.000 2.628 217 F HA 0.594 5.121 4.527 -0.001 0.000 0.309 217 F C -1.333 174.680 175.800 0.355 0.000 1.108 217 F CA -1.137 57.059 58.000 0.325 0.000 0.971 217 F CB 1.654 40.886 39.000 0.385 0.000 1.279 217 F HN 0.417 nan 8.300 nan 0.000 0.441 218 E N 2.546 122.974 120.200 0.379 0.000 2.134 218 E HA 0.527 4.877 4.350 -0.001 0.000 0.278 218 E C -1.522 175.313 176.600 0.392 0.000 0.959 218 E CA -0.875 55.707 56.400 0.304 0.000 0.783 218 E CB 1.874 31.695 29.700 0.202 0.000 1.095 218 E HN 0.691 nan 8.360 nan 0.000 0.399 219 V N 6.032 126.219 119.914 0.454 0.000 2.368 219 V HA 0.195 4.314 4.120 -0.001 0.000 0.266 219 V C -0.150 176.236 176.094 0.487 0.000 1.045 219 V CA -0.109 62.481 62.300 0.482 0.000 0.899 219 V CB 0.768 32.902 31.823 0.519 0.000 1.006 219 V HN 0.615 nan 8.190 nan 0.000 0.470 220 K N 3.761 124.382 120.400 0.368 0.000 2.203 220 K HA 0.440 4.760 4.320 -0.001 0.000 0.251 220 K C -0.156 176.492 176.600 0.079 0.000 0.944 220 K CA -0.707 55.693 56.287 0.189 0.000 0.829 220 K CB 2.303 34.888 32.500 0.142 0.000 1.125 220 K HN 0.657 nan 8.250 nan 0.000 0.430 221 E N 3.269 123.228 120.200 -0.401 0.000 2.129 221 E HA -0.021 4.328 4.350 -0.001 0.000 0.283 221 E C -1.235 175.312 176.600 -0.088 0.000 1.080 221 E CA -0.341 55.773 56.400 -0.475 0.000 0.867 221 E CB 0.397 29.505 29.700 -0.987 0.000 1.056 221 E HN 0.441 nan 8.360 nan 0.000 0.404 222 Y N 4.619 124.911 120.300 -0.014 0.000 2.442 222 Y HA 0.231 4.780 4.550 -0.001 0.000 0.330 222 Y C -1.009 174.880 175.900 -0.019 0.000 1.129 222 Y CA -0.048 58.057 58.100 0.008 0.000 1.365 222 Y CB 0.662 39.173 38.460 0.085 0.000 1.233 222 Y HN 0.246 nan 8.280 nan 0.000 0.529 223 V N 7.663 127.081 119.914 -0.827 0.000 2.680 223 V HA 0.223 4.342 4.120 -0.001 0.000 0.309 223 V C -0.567 174.949 176.094 -0.964 0.000 1.052 223 V CA -1.318 60.589 62.300 -0.656 0.000 0.908 223 V CB 1.908 33.529 31.823 -0.337 0.000 1.001 223 V HN 0.665 nan 8.190 nan 0.000 0.431 224 L N 6.250 127.132 121.223 -0.570 0.000 2.360 224 L HA 0.416 4.756 4.340 -0.001 0.000 0.276 224 L C -2.282 174.289 176.870 -0.499 0.000 1.121 224 L CA -1.285 53.292 54.840 -0.439 0.000 0.845 224 L CB 1.497 43.410 42.059 -0.243 0.000 1.143 224 L HN 0.472 nan 8.230 nan 0.000 0.452 225 P HA 0.194 nan 4.420 nan 0.000 0.276 225 P C 0.228 177.369 177.300 -0.265 0.000 1.243 225 P CA -0.188 62.756 63.100 -0.261 0.000 0.768 225 P CB 0.481 32.197 31.700 0.027 0.000 0.856 226 H N 2.457 121.360 119.070 -0.278 0.000 2.482 226 H HA 0.129 4.685 4.556 -0.001 0.000 0.286 226 H C 0.600 175.846 175.328 -0.138 0.000 1.017 226 H CA 1.069 56.860 56.048 -0.428 0.000 1.322 226 H CB 0.125 29.383 29.762 -0.840 0.000 1.426 226 H HN 0.473 nan 8.280 nan 0.000 0.546 227 F N -2.224 117.726 119.950 -0.000 0.000 2.799 227 F HA 0.341 4.867 4.527 -0.001 0.000 0.316 227 F C -0.475 175.010 175.800 -0.525 0.000 1.155 227 F CA -1.547 56.224 58.000 -0.382 0.000 0.916 227 F CB 0.846 39.676 39.000 -0.284 0.000 1.294 227 F HN -0.252 nan 8.300 nan 0.000 0.447 228 S N 0.785 116.173 115.700 -0.519 0.000 2.564 228 S HA 0.657 5.126 4.470 -0.001 0.000 0.278 228 S C -1.012 173.559 174.600 -0.049 0.000 1.333 228 S CA -0.165 57.838 58.200 -0.329 0.000 1.048 228 S CB 0.640 63.598 63.200 -0.403 0.000 0.900 228 S HN 0.829 nan 8.310 nan 0.000 0.505 229 V N 4.232 124.111 119.914 -0.058 0.000 2.524 229 V HA 0.467 4.587 4.120 -0.001 0.000 0.297 229 V C 0.018 176.086 176.094 -0.044 0.000 1.035 229 V CA -0.669 61.622 62.300 -0.015 0.000 0.867 229 V CB 1.710 33.545 31.823 0.021 0.000 1.004 229 V HN 0.955 nan 8.190 nan 0.000 0.426 230 S N 4.866 120.537 115.700 -0.049 0.000 2.687 230 S HA 0.826 5.296 4.470 -0.001 0.000 0.283 230 S C -0.571 174.004 174.600 -0.041 0.000 1.170 230 S CA -0.542 57.630 58.200 -0.047 0.000 1.008 230 S CB 1.183 64.350 63.200 -0.054 0.000 1.026 230 S HN 0.776 nan 8.310 nan 0.000 0.541 231 I N 2.459 123.007 120.570 -0.037 0.000 2.602 231 I HA 0.352 4.522 4.170 -0.001 0.000 0.274 231 I C -1.682 174.422 176.117 -0.022 0.000 1.191 231 I CA -0.210 61.070 61.300 -0.032 0.000 1.068 231 I CB 0.881 38.856 38.000 -0.041 0.000 1.274 231 I HN 0.644 nan 8.210 nan 0.000 0.485 232 E N 8.298 128.482 120.200 -0.026 0.000 2.151 232 E HA 0.527 4.877 4.350 -0.001 0.000 0.275 232 E C -2.576 174.004 176.600 -0.035 0.000 0.936 232 E CA -1.804 54.578 56.400 -0.030 0.000 0.777 232 E CB 1.554 31.223 29.700 -0.052 0.000 1.108 232 E HN 0.324 nan 8.360 nan 0.000 0.401 233 P HA 0.094 nan 4.420 nan 0.000 0.281 233 P C 0.195 177.334 177.300 -0.269 0.000 1.264 233 P CA -0.503 62.597 63.100 -0.001 0.000 0.824 233 P CB 1.064 32.927 31.700 0.271 0.000 1.092 234 E N -0.148 119.627 120.200 -0.708 0.000 2.077 234 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 234 E C -0.293 175.733 176.600 -0.956 0.000 0.989 234 E CA 1.410 57.281 56.400 -0.882 0.000 0.800 234 E CB 0.029 29.105 29.700 -1.040 0.000 0.746 234 E HN 0.441 nan 8.360 nan 0.000 0.452 235 Y N -2.209 117.982 120.300 -0.182 0.000 2.715 235 Y HA 0.297 4.847 4.550 -0.001 0.000 0.331 235 Y C 0.481 176.544 175.900 0.272 0.000 1.197 235 Y CA -1.124 57.044 58.100 0.114 0.000 1.079 235 Y CB 0.795 39.357 38.460 0.170 0.000 1.298 235 Y HN -0.251 nan 8.280 nan 0.000 0.477 236 N N -0.223 118.737 118.700 0.433 0.000 2.325 236 N HA 0.180 4.920 4.740 -0.001 0.000 0.182 236 N C -1.079 174.390 175.510 -0.068 0.000 1.088 236 N CA 0.492 53.658 53.050 0.193 0.000 0.879 236 N CB 0.311 38.898 38.487 0.167 0.000 0.983 236 N HN 0.360 nan 8.380 nan 0.000 0.471 237 F N -0.399 119.635 119.950 0.140 0.000 2.620 237 F HA 0.566 5.092 4.527 -0.001 0.000 0.320 237 F C -0.239 175.559 175.800 -0.003 0.000 1.069 237 F CA -1.099 56.901 58.000 -0.000 0.000 0.953 237 F CB 1.970 40.951 39.000 -0.031 0.000 1.322 237 F HN -0.370 nan 8.300 nan 0.000 0.479 238 I N 1.253 121.831 120.570 0.014 0.000 2.410 238 I HA 0.596 4.766 4.170 -0.001 0.000 0.286 238 I C -0.049 176.085 176.117 0.028 0.000 1.009 238 I CA -0.288 60.964 61.300 -0.079 0.000 1.111 238 I CB 1.487 39.144 38.000 -0.571 0.000 1.262 238 I HN 0.695 nan 8.210 nan 0.000 0.443 239 G N 3.318 112.147 108.800 0.049 0.000 2.816 239 G HA2 0.291 4.251 3.960 -0.001 0.000 0.288 239 G HA3 0.291 4.251 3.960 -0.001 0.000 0.288 239 G C 0.262 175.193 174.900 0.052 0.000 1.334 239 G CA -0.506 44.625 45.100 0.051 0.000 0.978 239 G HN 0.700 nan 8.290 nan 0.000 0.493 240 Y N -0.193 120.087 120.300 -0.032 0.000 2.181 240 Y HA -0.202 4.347 4.550 -0.001 0.000 0.284 240 Y C 2.439 178.375 175.900 0.060 0.000 1.179 240 Y CA 2.050 60.141 58.100 -0.014 0.000 1.179 240 Y CB -0.295 38.135 38.460 -0.049 0.000 0.973 240 Y HN 0.418 nan 8.280 nan 0.000 0.519 241 K N 1.201 121.033 120.400 -0.948 0.000 1.977 241 K HA -0.185 4.135 4.320 -0.001 0.000 0.218 241 K C 0.366 176.847 176.600 -0.198 0.000 1.051 241 K CA 1.899 57.769 56.287 -0.696 0.000 0.953 241 K CB -0.455 31.642 32.500 -0.671 0.000 0.727 241 K HN 0.659 nan 8.250 nan 0.000 0.445 242 N N 0.361 119.018 118.700 -0.073 0.000 3.301 242 N HA 0.071 4.811 4.740 -0.001 0.000 0.289 242 N C -0.435 175.207 175.510 0.220 0.000 1.343 242 N CA -0.124 52.984 53.050 0.098 0.000 1.136 242 N CB 0.405 39.000 38.487 0.180 0.000 1.402 242 N HN 0.107 nan 8.380 nan 0.000 0.516 243 F N 0.978 120.944 119.950 0.027 0.000 2.682 243 F HA 0.364 4.891 4.527 -0.001 0.000 0.308 243 F C 1.325 177.125 175.800 0.001 0.000 1.093 243 F CA -0.108 57.921 58.000 0.049 0.000 1.244 243 F CB 0.582 39.629 39.000 0.078 0.000 1.052 243 F HN -0.028 nan 8.300 nan 0.000 0.573 244 K N 0.406 120.767 120.400 -0.065 0.000 2.360 244 K HA 0.173 4.492 4.320 -0.001 0.000 0.196 244 K C -0.672 175.847 176.600 -0.134 0.000 1.049 244 K CA 0.207 56.395 56.287 -0.165 0.000 1.049 244 K CB 0.236 32.702 32.500 -0.057 0.000 0.881 244 K HN 0.272 nan 8.250 nan 0.000 0.542 245 N N -0.279 118.398 118.700 -0.038 0.000 2.537 245 N HA 0.112 4.852 4.740 -0.001 0.000 0.281 245 N C -1.735 173.864 175.510 0.148 0.000 1.097 245 N CA -0.539 52.522 53.050 0.018 0.000 0.964 245 N CB 0.239 38.730 38.487 0.007 0.000 1.588 245 N HN -0.156 nan 8.380 nan 0.000 0.511 246 F N 0.694 120.645 119.950 0.002 0.000 2.499 246 F HA 0.411 4.938 4.527 -0.001 0.000 0.333 246 F C 0.045 175.881 175.800 0.060 0.000 1.138 246 F CA -0.656 57.380 58.000 0.062 0.000 0.945 246 F CB 1.631 40.686 39.000 0.092 0.000 1.181 246 F HN 0.559 nan 8.300 nan 0.000 0.435 247 E N 6.055 126.071 120.200 -0.307 0.000 2.259 247 E HA 0.430 4.780 4.350 -0.001 0.000 0.281 247 E C -1.007 175.460 176.600 -0.223 0.000 1.037 247 E CA -0.132 56.147 56.400 -0.201 0.000 0.854 247 E CB 0.730 30.302 29.700 -0.213 0.000 1.051 247 E HN 0.584 nan 8.360 nan 0.000 0.409 248 I N 4.086 124.639 120.570 -0.029 0.000 2.418 248 I HA 0.220 4.390 4.170 -0.001 0.000 0.287 248 I C -0.586 175.528 176.117 -0.004 0.000 1.008 248 I CA -0.616 60.698 61.300 0.023 0.000 1.104 248 I CB 2.067 40.170 38.000 0.172 0.000 1.264 248 I HN 0.432 nan 8.210 nan 0.000 0.438 249 T N 6.855 121.386 114.554 -0.039 0.000 2.824 249 T HA 0.633 4.983 4.350 -0.001 0.000 0.280 249 T C -0.211 174.468 174.700 -0.035 0.000 0.995 249 T CA -0.497 61.577 62.100 -0.043 0.000 1.009 249 T CB 1.696 70.524 68.868 -0.066 0.000 0.955 249 T HN 0.526 nan 8.240 nan 0.000 0.452 250 I N -0.257 120.291 120.570 -0.036 0.000 2.466 250 I HA 0.596 4.766 4.170 -0.001 0.000 0.289 250 I C -1.023 175.061 176.117 -0.055 0.000 1.026 250 I CA -0.986 60.290 61.300 -0.040 0.000 1.078 250 I CB 1.687 39.668 38.000 -0.031 0.000 1.249 250 I HN 0.424 nan 8.210 nan 0.000 0.429 251 K N 6.752 127.114 120.400 -0.063 0.000 2.478 251 K HA 0.673 4.993 4.320 -0.001 0.000 0.236 251 K C -0.396 176.140 176.600 -0.107 0.000 1.021 251 K CA -0.502 55.735 56.287 -0.084 0.000 1.010 251 K CB 1.935 34.388 32.500 -0.078 0.000 1.331 251 K HN 0.785 nan 8.250 nan 0.000 0.470 252 A N 3.558 126.294 122.820 -0.140 0.000 2.286 252 A HA 0.748 5.068 4.320 -0.001 0.000 0.286 252 A C -0.009 177.365 177.584 -0.351 0.000 1.097 252 A CA -0.464 51.451 52.037 -0.203 0.000 0.821 252 A CB 0.506 19.368 19.000 -0.230 0.000 1.076 252 A HN 0.938 nan 8.150 nan 0.000 0.490 253 R N -0.856 119.346 120.500 -0.496 0.000 3.012 253 R HA 0.385 4.724 4.340 -0.001 0.000 0.287 253 R C -1.848 173.999 176.300 -0.756 0.000 0.990 253 R CA -0.915 54.806 56.100 -0.632 0.000 0.839 253 R CB 0.299 30.389 30.300 -0.350 0.000 1.317 253 R HN 0.554 nan 8.270 nan 0.000 0.518 254 Y N -0.279 119.748 120.300 -0.455 0.000 2.458 254 Y HA 0.404 4.953 4.550 -0.001 0.000 0.322 254 Y C 0.977 176.496 175.900 -0.636 0.000 1.259 254 Y CA -0.891 56.811 58.100 -0.664 0.000 1.302 254 Y CB 0.651 38.445 38.460 -1.111 0.000 1.314 254 Y HN 0.457 nan 8.280 nan 0.000 0.509 255 F N -0.722 119.086 119.950 -0.237 0.000 2.661 255 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 255 F C 0.736 176.549 175.800 0.021 0.000 1.137 255 F CA 0.200 58.164 58.000 -0.060 0.000 1.454 255 F CB -0.410 38.605 39.000 0.024 0.000 1.103 255 F HN 0.434 nan 8.300 nan 0.000 0.577 256 Y N 0.480 120.941 120.300 0.268 0.000 2.933 256 Y HA 0.261 4.811 4.550 -0.001 0.000 0.380 256 Y C 0.565 176.522 175.900 0.095 0.000 1.056 256 Y CA -1.914 56.272 58.100 0.143 0.000 1.704 256 Y CB -2.016 36.486 38.460 0.070 0.000 1.558 256 Y HN 0.259 nan 8.280 nan 0.000 0.501 257 N N 0.506 119.305 118.700 0.165 0.000 2.707 257 N HA -0.264 4.475 4.740 -0.001 0.000 0.253 257 N C -1.272 174.312 175.510 0.123 0.000 0.998 257 N CA 0.694 53.813 53.050 0.115 0.000 0.751 257 N CB -0.932 37.623 38.487 0.114 0.000 0.920 257 N HN 0.445 nan 8.380 nan 0.000 0.539 258 K N 0.745 121.223 120.400 0.130 0.000 2.615 258 K HA 0.256 4.575 4.320 -0.001 0.000 0.249 258 K C 0.419 177.057 176.600 0.063 0.000 0.977 258 K CA -0.603 55.777 56.287 0.156 0.000 0.833 258 K CB 2.133 34.816 32.500 0.306 0.000 1.208 258 K HN 0.228 nan 8.250 nan 0.000 0.443 259 V N 0.473 120.357 119.914 -0.051 0.000 3.332 259 V HA 0.210 4.330 4.120 -0.001 0.000 0.305 259 V C 0.412 176.333 176.094 -0.289 0.000 1.114 259 V CA -0.565 61.611 62.300 -0.207 0.000 1.194 259 V CB 0.546 32.283 31.823 -0.145 0.000 1.027 259 V HN 0.310 nan 8.190 nan 0.000 0.492 260 V N 4.841 124.450 119.914 -0.509 0.000 2.439 260 V HA 0.116 4.235 4.120 -0.001 0.000 0.271 260 V C 1.422 177.395 176.094 -0.201 0.000 1.040 260 V CA 0.754 62.745 62.300 -0.514 0.000 1.002 260 V CB -0.158 31.241 31.823 -0.706 0.000 1.000 260 V HN 1.212 nan 8.190 nan 0.000 0.477 261 T N 3.636 118.155 114.554 -0.058 0.000 2.472 261 T HA -0.142 4.208 4.350 -0.001 0.000 0.249 261 T C 0.752 175.428 174.700 -0.040 0.000 1.205 261 T CA 1.162 63.249 62.100 -0.021 0.000 1.268 261 T CB 0.044 68.931 68.868 0.030 0.000 0.872 261 T HN 0.784 nan 8.240 nan 0.000 0.393 262 E N 0.618 120.810 120.200 -0.013 0.000 2.242 262 E HA 0.544 4.893 4.350 -0.001 0.000 0.275 262 E C -1.202 175.384 176.600 -0.023 0.000 1.002 262 E CA -0.699 55.694 56.400 -0.012 0.000 0.841 262 E CB 1.177 30.887 29.700 0.017 0.000 1.109 262 E HN 0.503 nan 8.360 nan 0.000 0.394 263 A N 3.452 126.258 122.820 -0.023 0.000 2.612 263 A HA 0.361 4.681 4.320 -0.001 0.000 0.293 263 A C -1.706 175.888 177.584 0.017 0.000 1.075 263 A CA -0.805 51.226 52.037 -0.011 0.000 0.680 263 A CB 1.862 20.822 19.000 -0.066 0.000 1.279 263 A HN 0.632 nan 8.150 nan 0.000 0.411 264 D N 1.120 121.559 120.400 0.064 0.000 2.441 264 D HA 0.509 5.149 4.640 -0.001 0.000 0.231 264 D C -0.740 175.618 176.300 0.097 0.000 1.073 264 D CA 0.182 54.226 54.000 0.073 0.000 0.850 264 D CB 1.372 42.283 40.800 0.185 0.000 1.062 264 D HN 0.250 nan 8.370 nan 0.000 0.524 265 V N 4.200 124.076 119.914 -0.063 0.000 2.567 265 V HA 0.322 4.442 4.120 -0.001 0.000 0.289 265 V C -0.626 175.342 176.094 -0.210 0.000 1.049 265 V CA -0.396 61.888 62.300 -0.026 0.000 0.969 265 V CB 1.014 32.811 31.823 -0.044 0.000 0.995 265 V HN 0.376 nan 8.190 nan 0.000 0.471 266 Y N 4.237 124.527 120.300 -0.017 0.000 2.349 266 Y HA 0.574 5.124 4.550 -0.001 0.000 0.324 266 Y C -0.057 175.789 175.900 -0.090 0.000 1.005 266 Y CA -0.558 57.524 58.100 -0.031 0.000 1.240 266 Y CB 1.371 39.825 38.460 -0.010 0.000 1.117 266 Y HN 0.416 nan 8.280 nan 0.000 0.463 267 I N 4.094 124.635 120.570 -0.049 0.000 2.339 267 I HA 0.414 4.584 4.170 -0.001 0.000 0.290 267 I C -0.163 175.698 176.117 -0.426 0.000 0.994 267 I CA -0.632 60.508 61.300 -0.267 0.000 1.191 267 I CB 1.630 39.434 38.000 -0.326 0.000 1.343 267 I HN 0.540 nan 8.210 nan 0.000 0.458 268 T N 2.548 116.820 114.554 -0.469 0.000 2.855 268 T HA 0.710 5.060 4.350 -0.001 0.000 0.281 268 T C -0.609 173.738 174.700 -0.588 0.000 1.007 268 T CA -0.585 61.300 62.100 -0.357 0.000 1.009 268 T CB 1.574 70.411 68.868 -0.051 0.000 0.983 268 T HN 0.199 nan 8.240 nan 0.000 0.455 269 F N 0.056 120.004 119.950 -0.003 0.000 2.594 269 F HA 0.861 5.388 4.527 -0.001 0.000 0.335 269 F C 0.902 176.776 175.800 0.124 0.000 1.058 269 F CA -0.708 57.248 58.000 -0.074 0.000 0.981 269 F CB 2.572 41.332 39.000 -0.400 0.000 1.289 269 F HN 1.104 nan 8.300 nan 0.000 0.490 270 G N 1.116 110.151 108.800 0.391 0.000 2.633 270 G HA2 0.476 4.436 3.960 -0.001 0.000 0.299 270 G HA3 0.476 4.436 3.960 -0.001 0.000 0.299 270 G C -1.689 173.390 174.900 0.298 0.000 1.501 270 G CA -0.804 44.488 45.100 0.319 0.000 0.887 270 G HN 0.313 nan 8.290 nan 0.000 0.561 271 I N 0.018 120.735 120.570 0.244 0.000 3.079 271 I HA 0.677 4.846 4.170 -0.001 0.000 0.295 271 I C 0.715 176.928 176.117 0.160 0.000 1.094 271 I CA -0.469 60.949 61.300 0.197 0.000 1.295 271 I CB 1.297 39.393 38.000 0.161 0.000 1.443 271 I HN 0.759 nan 8.210 nan 0.000 0.607 272 R N 1.254 121.840 120.500 0.144 0.000 2.633 272 R HA 0.193 4.533 4.340 -0.001 0.000 0.255 272 R C 0.171 176.562 176.300 0.151 0.000 1.106 272 R CA -0.404 55.770 56.100 0.124 0.000 0.959 272 R CB 1.480 31.861 30.300 0.135 0.000 1.259 272 R HN 0.547 nan 8.270 nan 0.000 0.453 273 E N 1.412 121.670 120.200 0.097 0.000 2.086 273 E HA -0.017 4.332 4.350 -0.001 0.000 0.190 273 E C -0.073 176.602 176.600 0.126 0.000 0.975 273 E CA 1.391 57.857 56.400 0.110 0.000 0.813 273 E CB 0.269 30.010 29.700 0.067 0.000 0.768 273 E HN 0.705 nan 8.360 nan 0.000 0.457 274 D N -1.907 118.479 120.400 -0.023 0.000 2.838 274 D HA 0.097 4.736 4.640 -0.001 0.000 0.334 274 D C 0.476 176.560 176.300 -0.359 0.000 1.315 274 D CA -0.596 53.285 54.000 -0.198 0.000 0.917 274 D CB 0.462 41.214 40.800 -0.080 0.000 1.435 274 D HN -0.093 nan 8.370 nan 0.000 0.517 275 L N -0.600 120.388 121.223 -0.392 0.000 2.640 275 L HA 0.186 4.525 4.340 -0.001 0.000 0.230 275 L C 1.587 178.355 176.870 -0.169 0.000 1.123 275 L CA 0.029 54.684 54.840 -0.308 0.000 0.900 275 L CB 0.037 41.899 42.059 -0.329 0.000 1.146 275 L HN 0.085 nan 8.230 nan 0.000 0.484 276 K N -0.287 120.022 120.400 -0.153 0.000 2.361 276 K HA 0.081 4.401 4.320 -0.001 0.000 0.194 276 K C 0.143 176.674 176.600 -0.115 0.000 1.032 276 K CA 0.139 56.344 56.287 -0.137 0.000 1.048 276 K CB 0.119 32.516 32.500 -0.172 0.000 0.842 276 K HN 0.053 nan 8.250 nan 0.000 0.526 277 D N 2.857 123.193 120.400 -0.107 0.000 2.363 277 D HA -0.062 4.578 4.640 -0.001 0.000 0.263 277 D C 0.535 176.786 176.300 -0.082 0.000 1.258 277 D CA 0.077 54.027 54.000 -0.083 0.000 0.907 277 D CB 0.766 41.523 40.800 -0.071 0.000 1.107 277 D HN 0.103 nan 8.370 nan 0.000 0.495 278 D N 2.135 122.494 120.400 -0.068 0.000 2.371 278 D HA -0.128 4.512 4.640 -0.001 0.000 0.221 278 D C 0.532 176.782 176.300 -0.083 0.000 0.986 278 D CA 0.492 54.455 54.000 -0.062 0.000 0.899 278 D CB -0.140 40.635 40.800 -0.042 0.000 0.902 278 D HN 0.654 nan 8.370 nan 0.000 0.530 279 Q N -0.329 119.418 119.800 -0.088 0.000 2.496 279 Q HA 0.544 4.884 4.340 -0.001 0.000 0.286 279 Q C -0.786 175.145 176.000 -0.114 0.000 1.103 279 Q CA -1.076 54.665 55.803 -0.103 0.000 0.813 279 Q CB 2.543 31.237 28.738 -0.073 0.000 1.444 279 Q HN -0.036 nan 8.270 nan 0.000 0.443 280 K N 0.032 120.356 120.400 -0.126 0.000 2.597 280 K HA 0.312 4.632 4.320 -0.001 0.000 0.282 280 K C -1.337 175.228 176.600 -0.059 0.000 0.975 280 K CA -0.793 55.436 56.287 -0.097 0.000 0.867 280 K CB 1.373 33.761 32.500 -0.187 0.000 1.465 280 K HN 0.642 nan 8.250 nan 0.000 0.417 281 E N 2.557 122.767 120.200 0.017 0.000 1.986 281 E HA 0.213 4.562 4.350 -0.001 0.000 0.264 281 E C 0.266 176.911 176.600 0.075 0.000 1.023 281 E CA -0.551 55.872 56.400 0.039 0.000 0.834 281 E CB 0.424 30.169 29.700 0.076 0.000 1.111 281 E HN 0.393 nan 8.360 nan 0.000 0.417 282 M N 1.459 121.087 119.600 0.046 0.000 2.206 282 M HA 0.124 4.604 4.480 -0.001 0.000 0.288 282 M C 0.496 176.877 176.300 0.136 0.000 1.126 282 M CA 0.774 56.136 55.300 0.104 0.000 1.152 282 M CB -0.107 32.539 32.600 0.078 0.000 1.383 282 M HN 0.366 nan 8.290 nan 0.000 0.437 283 M N 1.349 121.060 119.600 0.185 0.000 2.327 283 M HA 0.244 4.724 4.480 -0.001 0.000 0.298 283 M C 0.056 176.471 176.300 0.192 0.000 1.065 283 M CA -0.847 54.569 55.300 0.194 0.000 0.916 283 M CB 2.339 35.099 32.600 0.266 0.000 1.630 283 M HN 0.557 nan 8.290 nan 0.000 0.442 284 Q N 0.538 120.428 119.800 0.149 0.000 2.584 284 Q HA 0.176 4.515 4.340 -0.001 0.000 0.218 284 Q C -0.197 175.893 176.000 0.151 0.000 1.079 284 Q CA 0.310 56.195 55.803 0.137 0.000 1.008 284 Q CB -0.320 28.475 28.738 0.096 0.000 1.267 284 Q HN 0.866 nan 8.270 nan 0.000 0.586 285 T N -1.296 113.334 114.554 0.126 0.000 3.795 285 T HA -0.120 4.230 4.350 -0.001 0.000 0.370 285 T C -0.030 174.787 174.700 0.196 0.000 0.761 285 T CA 0.858 63.035 62.100 0.127 0.000 1.923 285 T CB -2.068 66.860 68.868 0.099 0.000 1.795 285 T HN 0.857 nan 8.240 nan 0.000 0.762 286 A N 1.579 124.530 122.820 0.219 0.000 2.310 286 A HA 0.663 4.983 4.320 -0.001 0.000 0.300 286 A C 0.857 178.580 177.584 0.232 0.000 1.269 286 A CA -0.553 51.670 52.037 0.311 0.000 0.909 286 A CB 0.076 19.216 19.000 0.233 0.000 1.144 286 A HN 0.644 nan 8.150 nan 0.000 0.540 287 M N 2.655 122.440 119.600 0.308 0.000 2.250 287 M HA -0.160 4.320 4.480 -0.001 0.000 0.481 287 M C 0.788 177.142 176.300 0.090 0.000 1.435 287 M CA 1.006 56.426 55.300 0.200 0.000 0.744 287 M CB -0.290 32.471 32.600 0.268 0.000 2.001 287 M HN 0.839 nan 8.290 nan 0.000 0.538 288 Q N 3.052 122.875 119.800 0.037 0.000 2.235 288 Q HA 0.415 4.755 4.340 -0.001 0.000 0.256 288 Q C -0.430 175.479 176.000 -0.151 0.000 0.951 288 Q CA -1.177 54.596 55.803 -0.051 0.000 0.890 288 Q CB 0.993 29.726 28.738 -0.007 0.000 1.279 288 Q HN 0.605 nan 8.270 nan 0.000 0.444 289 N N 1.130 119.612 118.700 -0.364 0.000 2.560 289 N HA -0.135 4.605 4.740 -0.001 0.000 0.296 289 N C -1.279 174.135 175.510 -0.161 0.000 1.257 289 N CA 1.125 53.964 53.050 -0.351 0.000 0.717 289 N CB -0.914 37.385 38.487 -0.313 0.000 0.951 289 N HN 0.726 nan 8.380 nan 0.000 0.542 290 T N 3.092 117.571 114.554 -0.124 0.000 3.336 290 T HA 0.266 4.616 4.350 -0.001 0.000 0.384 290 T C 1.014 175.671 174.700 -0.071 0.000 1.704 290 T CA -0.565 61.495 62.100 -0.068 0.000 1.334 290 T CB 0.005 68.856 68.868 -0.028 0.000 1.131 290 T HN 0.249 nan 8.240 nan 0.000 0.684 291 M N 2.951 122.504 119.600 -0.078 0.000 2.256 291 M HA -0.036 4.444 4.480 -0.001 0.000 0.392 291 M C 0.534 176.806 176.300 -0.046 0.000 1.406 291 M CA 0.105 55.369 55.300 -0.060 0.000 0.861 291 M CB 0.107 32.684 32.600 -0.038 0.000 1.977 291 M HN 0.211 nan 8.290 nan 0.000 0.492 292 L N 5.337 126.533 121.223 -0.046 0.000 2.514 292 L HA 0.248 4.588 4.340 -0.001 0.000 0.280 292 L C -0.314 176.524 176.870 -0.053 0.000 1.223 292 L CA 0.880 55.687 54.840 -0.056 0.000 0.864 292 L CB 0.205 42.219 42.059 -0.074 0.000 1.118 292 L HN 0.659 nan 8.230 nan 0.000 0.494 293 I N 5.149 125.685 120.570 -0.055 0.000 2.534 293 I HA 0.183 4.353 4.170 -0.001 0.000 0.286 293 I C 0.503 176.588 176.117 -0.054 0.000 1.094 293 I CA -0.499 60.773 61.300 -0.047 0.000 1.055 293 I CB 1.314 39.294 38.000 -0.033 0.000 1.225 293 I HN 0.716 nan 8.210 nan 0.000 0.435 294 N N 4.821 123.487 118.700 -0.057 0.000 2.754 294 N HA -0.191 4.549 4.740 -0.001 0.000 0.248 294 N C 0.801 176.264 175.510 -0.078 0.000 1.093 294 N CA 0.964 53.981 53.050 -0.056 0.000 0.699 294 N CB -0.273 38.192 38.487 -0.037 0.000 1.016 294 N HN 1.228 nan 8.380 nan 0.000 0.552 295 G N -1.066 107.665 108.800 -0.115 0.000 2.157 295 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.248 295 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.248 295 G C -0.104 174.729 174.900 -0.112 0.000 0.979 295 G CA 0.545 45.560 45.100 -0.142 0.000 0.650 295 G HN 0.428 nan 8.290 nan 0.000 0.529 296 I N 0.122 120.640 120.570 -0.087 0.000 2.802 296 I HA 0.760 4.930 4.170 -0.001 0.000 0.298 296 I C -0.052 176.031 176.117 -0.058 0.000 1.176 296 I CA -0.223 61.035 61.300 -0.069 0.000 1.025 296 I CB 1.983 39.948 38.000 -0.058 0.000 1.243 296 I HN 0.626 nan 8.210 nan 0.000 0.424 297 A N 5.380 128.170 122.820 -0.049 0.000 2.587 297 A HA 0.842 5.161 4.320 -0.001 0.000 0.293 297 A C -1.428 176.140 177.584 -0.028 0.000 1.087 297 A CA -0.519 51.495 52.037 -0.038 0.000 0.692 297 A CB 2.789 21.766 19.000 -0.038 0.000 1.291 297 A HN 0.677 nan 8.150 nan 0.000 0.407 298 Q N -0.585 119.206 119.800 -0.016 0.000 2.462 298 Q HA 0.670 5.010 4.340 -0.001 0.000 0.285 298 Q C -1.475 174.538 176.000 0.023 0.000 1.035 298 Q CA -0.924 54.877 55.803 -0.004 0.000 0.799 298 Q CB 2.971 31.697 28.738 -0.019 0.000 1.452 298 Q HN 1.318 nan 8.270 nan 0.000 0.404 299 V N -2.263 117.683 119.914 0.054 0.000 3.120 299 V HA 0.741 4.861 4.120 -0.001 0.000 0.303 299 V C -0.655 175.508 176.094 0.115 0.000 1.238 299 V CA -0.954 61.404 62.300 0.096 0.000 1.008 299 V CB 1.668 33.588 31.823 0.162 0.000 1.064 299 V HN 0.858 nan 8.190 nan 0.000 0.434 300 T N 0.513 115.131 114.554 0.108 0.000 2.771 300 T HA 0.682 5.031 4.350 -0.001 0.000 0.281 300 T C -0.833 173.958 174.700 0.152 0.000 0.982 300 T CA -0.130 62.035 62.100 0.110 0.000 0.978 300 T CB 1.285 70.179 68.868 0.045 0.000 0.930 300 T HN 1.013 nan 8.240 nan 0.000 0.447 301 F N 3.722 123.664 119.950 -0.013 0.000 2.335 301 F HA 0.342 4.868 4.527 -0.001 0.000 0.365 301 F C 0.046 175.748 175.800 -0.163 0.000 1.122 301 F CA -1.747 56.135 58.000 -0.198 0.000 1.151 301 F CB 0.461 39.155 39.000 -0.511 0.000 1.282 301 F HN 0.619 nan 8.300 nan 0.000 0.513 302 D N 4.016 124.071 120.400 -0.574 0.000 2.367 302 D HA 0.049 4.689 4.640 -0.001 0.000 0.255 302 D C 0.799 176.485 176.300 -1.023 0.000 1.300 302 D CA 0.339 53.978 54.000 -0.602 0.000 0.959 302 D CB 0.929 41.519 40.800 -0.350 0.000 1.064 302 D HN 0.550 nan 8.370 nan 0.000 0.509 303 S N 3.228 118.284 115.700 -1.075 0.000 2.368 303 S HA -0.181 4.289 4.470 -0.001 0.000 0.224 303 S C 1.648 175.709 174.600 -0.900 0.000 1.029 303 S CA 0.728 58.307 58.200 -1.034 0.000 0.988 303 S CB -0.070 62.805 63.200 -0.542 0.000 0.838 303 S HN 0.714 nan 8.310 nan 0.000 0.462 304 E N 0.896 120.401 120.200 -1.157 0.000 2.038 304 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 304 E C 1.921 178.346 176.600 -0.291 0.000 1.000 304 E CA 1.679 57.668 56.400 -0.684 0.000 0.803 304 E CB -0.183 29.251 29.700 -0.443 0.000 0.750 304 E HN 0.430 nan 8.360 nan 0.000 0.448 305 T N 0.615 114.992 114.554 -0.295 0.000 2.614 305 T HA -0.068 4.282 4.350 -0.001 0.000 0.263 305 T C 1.391 176.009 174.700 -0.137 0.000 1.055 305 T CA 1.349 63.347 62.100 -0.170 0.000 1.162 305 T CB -0.324 68.450 68.868 -0.157 0.000 0.863 305 T HN 0.289 nan 8.240 nan 0.000 0.414 306 A N 0.734 123.430 122.820 -0.207 0.000 2.478 306 A HA 0.386 4.706 4.320 -0.001 0.000 0.239 306 A C 1.235 178.836 177.584 0.027 0.000 1.480 306 A CA 0.181 52.178 52.037 -0.067 0.000 1.308 306 A CB -0.621 18.357 19.000 -0.037 0.000 0.899 306 A HN 0.351 nan 8.150 nan 0.000 0.600 307 V N -1.653 118.269 119.914 0.013 0.000 3.474 307 V HA -0.009 4.110 4.120 -0.001 0.000 0.195 307 V C 1.902 178.049 176.094 0.089 0.000 1.431 307 V CA 0.777 63.135 62.300 0.097 0.000 1.268 307 V CB -0.508 31.374 31.823 0.098 0.000 1.195 307 V HN 0.588 nan 8.190 nan 0.000 0.542 308 K N 1.044 121.478 120.400 0.057 0.000 1.980 308 K HA -0.334 3.986 4.320 -0.001 0.000 0.231 308 K C 1.989 178.597 176.600 0.013 0.000 1.018 308 K CA 2.702 59.019 56.287 0.050 0.000 1.063 308 K CB -0.295 32.227 32.500 0.036 0.000 0.731 308 K HN 0.345 nan 8.250 nan 0.000 0.456 309 E N 0.803 121.005 120.200 0.003 0.000 2.331 309 E HA -0.154 4.196 4.350 -0.001 0.000 0.199 309 E C 1.688 178.265 176.600 -0.038 0.000 1.008 309 E CA 1.214 57.603 56.400 -0.018 0.000 0.843 309 E CB -0.222 29.473 29.700 -0.008 0.000 0.761 309 E HN 0.484 nan 8.360 nan 0.000 0.507 310 L N -0.722 120.493 121.223 -0.013 0.000 2.554 310 L HA 0.180 4.520 4.340 -0.001 0.000 0.226 310 L C 0.593 177.426 176.870 -0.061 0.000 1.137 310 L CA 0.046 54.881 54.840 -0.008 0.000 0.863 310 L CB -0.160 41.933 42.059 0.056 0.000 0.985 310 L HN -0.044 nan 8.230 nan 0.000 0.451 311 S N -3.200 112.425 115.700 -0.125 0.000 2.815 311 S HA 0.252 4.722 4.470 -0.001 0.000 0.296 311 S C -0.234 174.117 174.600 -0.414 0.000 1.224 311 S CA -0.624 57.388 58.200 -0.314 0.000 0.938 311 S CB 0.450 63.481 63.200 -0.281 0.000 1.285 311 S HN -0.042 nan 8.310 nan 0.000 0.549 312 Y N 0.145 120.043 120.300 -0.669 0.000 2.502 312 Y HA 0.186 4.736 4.550 -0.001 0.000 0.295 312 Y C -0.345 175.321 175.900 -0.389 0.000 1.193 312 Y CA 0.205 58.003 58.100 -0.503 0.000 1.295 312 Y CB 0.040 38.219 38.460 -0.468 0.000 1.059 312 Y HN 0.384 nan 8.280 nan 0.000 0.514 313 Y N -0.421 119.952 120.300 0.121 0.000 2.504 313 Y HA 0.199 4.749 4.550 -0.001 0.000 0.339 313 Y C 0.913 176.843 175.900 0.050 0.000 0.974 313 Y CA -0.750 57.387 58.100 0.062 0.000 1.232 313 Y CB 0.735 39.205 38.460 0.017 0.000 1.108 313 Y HN -0.015 nan 8.280 nan 0.000 0.509 314 S N 1.559 117.359 115.700 0.167 0.000 2.559 314 S HA 0.373 4.843 4.470 -0.001 0.000 0.226 314 S C -0.207 174.460 174.600 0.111 0.000 1.000 314 S CA -0.235 58.036 58.200 0.118 0.000 0.948 314 S CB 0.277 63.524 63.200 0.078 0.000 0.870 314 S HN 0.476 nan 8.310 nan 0.000 0.497 315 L N 1.539 122.822 121.223 0.099 0.000 2.386 315 L HA 0.503 4.843 4.340 -0.001 0.000 0.271 315 L C 1.193 178.046 176.870 -0.029 0.000 0.993 315 L CA -0.448 54.416 54.840 0.040 0.000 0.819 315 L CB 2.064 44.128 42.059 0.008 0.000 1.294 315 L HN -0.008 nan 8.230 nan 0.000 0.414 316 E N 1.100 121.187 120.200 -0.189 0.000 2.265 316 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 316 E C 0.899 177.332 176.600 -0.278 0.000 0.996 316 E CA 1.111 57.221 56.400 -0.483 0.000 0.832 316 E CB 0.401 29.326 29.700 -1.292 0.000 0.756 316 E HN 0.782 nan 8.360 nan 0.000 0.491 317 D N 0.819 121.113 120.400 -0.178 0.000 2.103 317 D HA -0.177 4.463 4.640 -0.001 0.000 0.190 317 D C 1.322 177.573 176.300 -0.081 0.000 0.997 317 D CA 0.849 54.784 54.000 -0.108 0.000 0.833 317 D CB -0.287 40.470 40.800 -0.072 0.000 0.961 317 D HN 0.198 nan 8.370 nan 0.000 0.447 318 L N 0.470 121.663 121.223 -0.048 0.000 3.163 318 L HA -0.002 4.338 4.340 -0.001 0.000 0.261 318 L C 0.101 176.943 176.870 -0.047 0.000 1.313 318 L CA 0.140 54.980 54.840 0.001 0.000 1.111 318 L CB -0.530 41.579 42.059 0.083 0.000 1.511 318 L HN 0.024 nan 8.230 nan 0.000 0.419 319 N N 0.776 119.399 118.700 -0.129 0.000 3.029 319 N HA 0.053 4.793 4.740 -0.001 0.000 0.198 319 N C -0.789 174.626 175.510 -0.159 0.000 1.444 319 N CA -0.188 52.711 53.050 -0.251 0.000 0.784 319 N CB 0.312 38.556 38.487 -0.404 0.000 1.539 319 N HN 0.093 nan 8.380 nan 0.000 0.582 320 N N 1.753 120.397 118.700 -0.094 0.000 2.761 320 N HA 0.149 4.889 4.740 -0.001 0.000 0.317 320 N C -0.608 174.872 175.510 -0.050 0.000 1.546 320 N CA -0.043 52.982 53.050 -0.042 0.000 1.015 320 N CB 0.680 39.150 38.487 -0.028 0.000 1.343 320 N HN 0.446 nan 8.380 nan 0.000 0.504 321 K N -0.368 120.001 120.400 -0.051 0.000 2.263 321 K HA 0.390 4.710 4.320 -0.001 0.000 0.249 321 K C -0.944 175.682 176.600 0.043 0.000 1.076 321 K CA -0.761 55.530 56.287 0.006 0.000 0.884 321 K CB 0.991 33.517 32.500 0.043 0.000 1.394 321 K HN -0.097 nan 8.250 nan 0.000 0.476 322 Y N 0.324 120.676 120.300 0.086 0.000 2.316 322 Y HA 0.274 4.824 4.550 -0.001 0.000 0.324 322 Y C 0.216 176.224 175.900 0.181 0.000 1.267 322 Y CA -1.075 57.086 58.100 0.103 0.000 1.311 322 Y CB 0.927 39.416 38.460 0.049 0.000 1.267 322 Y HN 0.172 nan 8.280 nan 0.000 0.516 323 L N 3.897 125.284 121.223 0.272 0.000 2.298 323 L HA 0.324 4.663 4.340 -0.001 0.000 0.284 323 L C -1.599 175.387 176.870 0.192 0.000 1.013 323 L CA -0.771 54.216 54.840 0.245 0.000 0.824 323 L CB 0.652 42.754 42.059 0.072 0.000 1.221 323 L HN 0.748 nan 8.230 nan 0.000 0.418 324 Y N 6.350 126.716 120.300 0.110 0.000 2.313 324 Y HA 0.571 5.120 4.550 -0.001 0.000 0.332 324 Y C -0.596 175.341 175.900 0.061 0.000 1.071 324 Y CA -0.498 57.644 58.100 0.070 0.000 1.169 324 Y CB 0.937 39.431 38.460 0.058 0.000 1.192 324 Y HN 0.492 nan 8.280 nan 0.000 0.487 325 I N 5.862 126.032 120.570 -0.667 0.000 2.545 325 I HA 0.744 4.913 4.170 -0.001 0.000 0.292 325 I C -0.933 174.695 176.117 -0.815 0.000 1.040 325 I CA -1.151 59.812 61.300 -0.562 0.000 1.068 325 I CB 1.955 39.839 38.000 -0.192 0.000 1.251 325 I HN 0.751 nan 8.210 nan 0.000 0.424 326 A N 5.692 128.131 122.820 -0.636 0.000 2.429 326 A HA 0.776 5.095 4.320 -0.001 0.000 0.289 326 A C -1.070 176.360 177.584 -0.257 0.000 1.043 326 A CA -0.480 51.318 52.037 -0.398 0.000 0.722 326 A CB 1.437 20.286 19.000 -0.252 0.000 1.243 326 A HN 0.395 nan 8.150 nan 0.000 0.415 327 V N 1.028 120.845 119.914 -0.162 0.000 2.850 327 V HA 0.815 4.934 4.120 -0.001 0.000 0.315 327 V C 0.173 176.253 176.094 -0.023 0.000 1.064 327 V CA -0.484 61.760 62.300 -0.093 0.000 0.979 327 V CB 2.065 33.845 31.823 -0.071 0.000 1.039 327 V HN 0.875 nan 8.190 nan 0.000 0.452 328 T N 2.110 116.689 114.554 0.043 0.000 2.949 328 T HA 0.445 4.795 4.350 -0.001 0.000 0.300 328 T C -0.760 174.034 174.700 0.157 0.000 0.988 328 T CA -0.273 61.876 62.100 0.080 0.000 0.993 328 T CB 1.392 70.296 68.868 0.060 0.000 0.984 328 T HN 0.371 nan 8.240 nan 0.000 0.442 329 V N 5.984 125.991 119.914 0.155 0.000 2.275 329 V HA 0.384 4.504 4.120 -0.001 0.000 0.272 329 V C 0.439 176.718 176.094 0.307 0.000 1.028 329 V CA -0.861 61.567 62.300 0.214 0.000 0.810 329 V CB 0.301 32.261 31.823 0.228 0.000 1.043 329 V HN 0.859 nan 8.190 nan 0.000 0.453 330 I N 0.837 121.552 120.570 0.243 0.000 2.269 330 I HA 0.490 4.660 4.170 -0.001 0.000 0.293 330 I C 0.551 176.782 176.117 0.190 0.000 1.106 330 I CA -0.267 61.167 61.300 0.224 0.000 1.248 330 I CB 0.466 38.539 38.000 0.122 0.000 1.444 330 I HN 0.675 nan 8.210 nan 0.000 0.497 331 E N 4.224 124.586 120.200 0.269 0.000 2.696 331 E HA -0.166 4.184 4.350 -0.001 0.000 0.270 331 E C 0.488 177.153 176.600 0.109 0.000 0.958 331 E CA 0.351 56.836 56.400 0.142 0.000 0.964 331 E CB 0.847 30.705 29.700 0.264 0.000 0.948 331 E HN 0.797 nan 8.360 nan 0.000 0.472 332 S N 2.011 117.755 115.700 0.073 0.000 2.406 332 S HA -0.104 4.366 4.470 -0.001 0.000 0.224 332 S C 1.680 176.336 174.600 0.093 0.000 1.030 332 S CA 1.222 59.463 58.200 0.068 0.000 0.958 332 S CB -0.058 63.184 63.200 0.069 0.000 0.811 332 S HN 0.748 nan 8.310 nan 0.000 0.489 333 T N 0.117 114.736 114.554 0.108 0.000 2.671 333 T HA 0.083 4.433 4.350 -0.001 0.000 0.250 333 T C 1.929 176.692 174.700 0.104 0.000 1.068 333 T CA 1.642 63.807 62.100 0.110 0.000 1.177 333 T CB -1.177 67.754 68.868 0.105 0.000 0.876 333 T HN 0.351 nan 8.240 nan 0.000 0.405 334 G N -0.262 108.598 108.800 0.100 0.000 2.498 334 G HA2 0.254 4.214 3.960 -0.001 0.000 0.219 334 G HA3 0.254 4.214 3.960 -0.001 0.000 0.219 334 G C 1.347 176.182 174.900 -0.109 0.000 1.119 334 G CA 0.567 45.639 45.100 -0.047 0.000 0.766 334 G HN 1.520 nan 8.290 nan 0.000 0.552 335 G N -0.991 107.829 108.800 0.033 0.000 2.168 335 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.257 335 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.257 335 G C 0.536 175.461 174.900 0.042 0.000 0.997 335 G CA 0.352 45.476 45.100 0.040 0.000 0.708 335 G HN 0.391 nan 8.290 nan 0.000 0.520 336 F N 0.446 120.451 119.950 0.091 0.000 1.996 336 F HA 0.502 5.029 4.527 -0.001 0.000 0.241 336 F C 1.460 177.276 175.800 0.026 0.000 1.049 336 F CA 1.372 59.356 58.000 -0.027 0.000 1.222 336 F CB 0.146 39.107 39.000 -0.065 0.000 1.834 336 F HN 0.312 nan 8.300 nan 0.000 0.508 337 S N -0.672 115.180 115.700 0.253 0.000 2.579 337 S HA 0.417 4.887 4.470 -0.001 0.000 0.290 337 S C -1.740 172.846 174.600 -0.024 0.000 1.123 337 S CA -0.684 57.601 58.200 0.141 0.000 0.894 337 S CB 1.398 64.646 63.200 0.079 0.000 1.095 337 S HN 0.485 nan 8.310 nan 0.000 0.450 338 E N 1.622 121.771 120.200 -0.085 0.000 2.383 338 E HA 0.668 5.018 4.350 -0.001 0.000 0.275 338 E C -1.558 174.983 176.600 -0.099 0.000 0.918 338 E CA -0.484 55.753 56.400 -0.271 0.000 0.764 338 E CB 1.804 31.027 29.700 -0.795 0.000 1.252 338 E HN 0.649 nan 8.360 nan 0.000 0.449 339 E N 0.620 120.754 120.200 -0.110 0.000 2.367 339 E HA 0.862 5.212 4.350 -0.001 0.000 0.273 339 E C -1.449 175.109 176.600 -0.069 0.000 0.903 339 E CA -1.379 54.984 56.400 -0.062 0.000 0.764 339 E CB 2.160 31.832 29.700 -0.047 0.000 1.252 339 E HN 0.472 nan 8.360 nan 0.000 0.446 340 A N 1.755 124.542 122.820 -0.056 0.000 2.612 340 A HA 0.630 4.949 4.320 -0.001 0.000 0.293 340 A C -1.674 175.865 177.584 -0.076 0.000 1.075 340 A CA -0.849 51.154 52.037 -0.057 0.000 0.680 340 A CB 1.649 20.617 19.000 -0.054 0.000 1.279 340 A HN 0.701 nan 8.150 nan 0.000 0.411 341 E N 0.442 120.596 120.200 -0.076 0.000 2.390 341 E HA 0.697 5.047 4.350 -0.001 0.000 0.277 341 E C -1.547 174.984 176.600 -0.114 0.000 0.939 341 E CA -0.787 55.529 56.400 -0.141 0.000 0.769 341 E CB 1.681 31.316 29.700 -0.109 0.000 1.251 341 E HN 0.467 nan 8.360 nan 0.000 0.450 342 I N 3.065 123.529 120.570 -0.177 0.000 2.312 342 I HA 0.226 4.395 4.170 -0.001 0.000 0.290 342 I C -1.778 174.293 176.117 -0.077 0.000 1.008 342 I CA -2.359 58.884 61.300 -0.094 0.000 1.226 342 I CB 1.182 39.142 38.000 -0.067 0.000 1.371 342 I HN 0.467 nan 8.210 nan 0.000 0.468 343 P HA -0.171 nan 4.420 nan 0.000 0.214 343 P C 0.501 177.896 177.300 0.158 0.000 1.164 343 P CA 1.069 64.234 63.100 0.107 0.000 0.942 343 P CB 0.170 31.894 31.700 0.040 0.000 0.791 344 G N -2.533 106.328 108.800 0.101 0.000 2.677 344 G HA2 0.646 4.606 3.960 -0.001 0.000 0.291 344 G HA3 0.646 4.606 3.960 -0.001 0.000 0.291 344 G C -1.946 173.064 174.900 0.184 0.000 1.435 344 G CA -0.418 44.797 45.100 0.192 0.000 0.826 344 G HN 0.022 nan 8.290 nan 0.000 0.491 345 I N 0.896 121.545 120.570 0.132 0.000 2.500 345 I HA 0.295 4.465 4.170 -0.001 0.000 0.286 345 I C -0.063 175.896 176.117 -0.262 0.000 1.063 345 I CA -0.710 60.532 61.300 -0.096 0.000 1.062 345 I CB 2.250 40.138 38.000 -0.187 0.000 1.223 345 I HN 0.382 nan 8.210 nan 0.000 0.435 346 K N 5.995 126.109 120.400 -0.476 0.000 2.416 346 K HA 0.200 4.520 4.320 -0.001 0.000 0.283 346 K C -1.025 175.393 176.600 -0.304 0.000 1.037 346 K CA -0.046 55.869 56.287 -0.621 0.000 0.995 346 K CB 0.492 32.556 32.500 -0.728 0.000 0.938 346 K HN 0.343 nan 8.250 nan 0.000 0.475 347 Y N 2.385 122.555 120.300 -0.217 0.000 2.411 347 Y HA 0.169 4.719 4.550 -0.001 0.000 0.333 347 Y C 0.101 175.958 175.900 -0.072 0.000 1.186 347 Y CA -0.109 57.933 58.100 -0.097 0.000 1.381 347 Y CB 1.242 39.651 38.460 -0.084 0.000 1.273 347 Y HN 0.166 nan 8.280 nan 0.000 0.546 348 V N 5.469 125.453 119.914 0.117 0.000 2.509 348 V HA 0.035 4.155 4.120 -0.001 0.000 0.289 348 V C 0.383 176.492 176.094 0.025 0.000 1.026 348 V CA -0.782 61.556 62.300 0.063 0.000 0.872 348 V CB 1.548 33.421 31.823 0.082 0.000 1.017 348 V HN 0.799 nan 8.190 nan 0.000 0.436 349 L N 2.869 124.087 121.223 -0.008 0.000 2.265 349 L HA 0.150 4.490 4.340 -0.001 0.000 0.215 349 L C 0.755 177.605 176.870 -0.033 0.000 1.117 349 L CA 1.849 56.666 54.840 -0.039 0.000 0.782 349 L CB 0.473 42.496 42.059 -0.060 0.000 0.914 349 L HN 0.692 nan 8.230 nan 0.000 0.441 350 S N -1.553 114.127 115.700 -0.032 0.000 2.572 350 S HA 0.472 4.941 4.470 -0.001 0.000 0.274 350 S C -2.179 172.353 174.600 -0.113 0.000 1.150 350 S CA -0.845 57.322 58.200 -0.055 0.000 0.944 350 S CB 1.878 65.066 63.200 -0.020 0.000 1.071 350 S HN -0.107 nan 8.310 nan 0.000 0.479 351 P HA 0.158 nan 4.420 nan 0.000 0.237 351 P C -0.802 176.210 177.300 -0.480 0.000 1.178 351 P CA 0.750 63.596 63.100 -0.424 0.000 0.766 351 P CB -0.089 31.253 31.700 -0.596 0.000 0.876 352 Y N -0.098 120.174 120.300 -0.045 0.000 2.621 352 Y HA 0.558 5.108 4.550 -0.001 0.000 0.334 352 Y C 0.666 176.555 175.900 -0.018 0.000 1.074 352 Y CA -1.133 56.948 58.100 -0.032 0.000 1.149 352 Y CB 1.528 39.976 38.460 -0.020 0.000 1.302 352 Y HN -0.394 nan 8.280 nan 0.000 0.501 353 K N 2.280 122.788 120.400 0.181 0.000 2.652 353 K HA 0.387 4.706 4.320 -0.001 0.000 0.249 353 K C -1.730 174.926 176.600 0.093 0.000 0.986 353 K CA -0.756 55.594 56.287 0.105 0.000 0.867 353 K CB 1.811 34.357 32.500 0.076 0.000 1.201 353 K HN 0.279 nan 8.250 nan 0.000 0.450 354 L N 2.843 124.118 121.223 0.088 0.000 2.439 354 L HA 0.409 4.749 4.340 -0.001 0.000 0.261 354 L C 0.400 177.334 176.870 0.107 0.000 1.153 354 L CA 0.046 54.939 54.840 0.089 0.000 0.808 354 L CB -0.003 42.116 42.059 0.101 0.000 1.126 354 L HN 0.839 nan 8.230 nan 0.000 0.460 355 N N 1.304 120.066 118.700 0.103 0.000 3.466 355 N HA 0.075 4.815 4.740 -0.001 0.000 0.217 355 N C -1.153 174.390 175.510 0.054 0.000 1.265 355 N CA -0.516 52.605 53.050 0.118 0.000 0.887 355 N CB 0.022 38.563 38.487 0.090 0.000 1.626 355 N HN 0.437 nan 8.380 nan 0.000 0.700 356 L N 0.791 122.008 121.223 -0.009 0.000 2.605 356 L HA 0.048 4.388 4.340 -0.001 0.000 0.296 356 L C 0.278 177.134 176.870 -0.023 0.000 1.255 356 L CA 0.134 54.912 54.840 -0.104 0.000 0.879 356 L CB 0.070 41.960 42.059 -0.282 0.000 1.124 356 L HN 0.286 nan 8.230 nan 0.000 0.507 357 V N 2.610 122.514 119.914 -0.017 0.000 2.513 357 V HA 0.379 4.499 4.120 -0.001 0.000 0.299 357 V C 0.771 176.891 176.094 0.043 0.000 1.035 357 V CA -0.303 62.015 62.300 0.030 0.000 0.889 357 V CB 1.472 33.312 31.823 0.029 0.000 0.988 357 V HN 1.011 nan 8.190 nan 0.000 0.440 358 A N 3.879 126.776 122.820 0.127 0.000 2.352 358 A HA -0.149 4.170 4.320 -0.001 0.000 0.286 358 A C 0.662 178.315 177.584 0.115 0.000 1.415 358 A CA 1.311 53.466 52.037 0.197 0.000 0.784 358 A CB -1.568 17.578 19.000 0.243 0.000 1.065 358 A HN 1.466 nan 8.150 nan 0.000 0.378 359 T N -1.242 113.355 114.554 0.072 0.000 3.009 359 T HA 0.599 4.948 4.350 -0.001 0.000 0.346 359 T C -2.419 172.336 174.700 0.091 0.000 1.092 359 T CA -1.725 60.400 62.100 0.043 0.000 1.080 359 T CB 1.792 70.605 68.868 -0.092 0.000 1.037 359 T HN 0.165 nan 8.240 nan 0.000 0.487 360 P HA 0.156 nan 4.420 nan 0.000 0.267 360 P C 0.026 177.374 177.300 0.081 0.000 1.201 360 P CA -0.537 62.625 63.100 0.103 0.000 0.775 360 P CB 0.498 32.304 31.700 0.176 0.000 0.854 361 L N 1.971 123.072 121.223 -0.205 0.000 2.851 361 L HA 0.316 4.656 4.340 -0.001 0.000 0.237 361 L C -0.431 176.161 176.870 -0.463 0.000 1.257 361 L CA 0.471 55.175 54.840 -0.228 0.000 1.061 361 L CB -1.130 40.764 42.059 -0.274 0.000 1.372 361 L HN 0.283 nan 8.230 nan 0.000 0.493 362 F N 0.239 120.202 119.950 0.022 0.000 2.547 362 F HA 0.527 5.054 4.527 -0.001 0.000 0.316 362 F C -0.387 175.280 175.800 -0.221 0.000 1.121 362 F CA -1.485 56.471 58.000 -0.073 0.000 0.911 362 F CB 1.586 40.599 39.000 0.021 0.000 1.179 362 F HN -0.252 nan 8.300 nan 0.000 0.443 363 L N 1.047 122.182 121.223 -0.146 0.000 2.289 363 L HA 0.685 5.025 4.340 -0.001 0.000 0.285 363 L C -0.864 175.887 176.870 -0.198 0.000 1.049 363 L CA -1.096 53.539 54.840 -0.341 0.000 0.804 363 L CB 0.517 42.273 42.059 -0.504 0.000 1.195 363 L HN 0.298 nan 8.230 nan 0.000 0.428 364 K N 3.481 123.741 120.400 -0.234 0.000 2.172 364 K HA 0.574 4.894 4.320 -0.001 0.000 0.276 364 K C -2.439 173.951 176.600 -0.349 0.000 1.013 364 K CA -1.640 54.461 56.287 -0.310 0.000 0.913 364 K CB 0.650 33.016 32.500 -0.223 0.000 1.055 364 K HN 0.436 nan 8.250 nan 0.000 0.461 365 P HA 0.174 nan 4.420 nan 0.000 0.276 365 P C 0.626 177.831 177.300 -0.157 0.000 1.230 365 P CA 0.170 63.063 63.100 -0.346 0.000 0.776 365 P CB 1.222 32.659 31.700 -0.438 0.000 0.888 366 G N 2.338 111.106 108.800 -0.053 0.000 2.527 366 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 366 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 366 G C 0.074 174.983 174.900 0.015 0.000 1.177 366 G CA -0.299 44.811 45.100 0.017 0.000 0.695 366 G HN 0.487 nan 8.290 nan 0.000 0.517 367 I N 4.466 125.030 120.570 -0.010 0.000 2.634 367 I HA 0.418 4.588 4.170 -0.001 0.000 0.284 367 I C -1.674 174.429 176.117 -0.023 0.000 1.124 367 I CA -2.002 59.296 61.300 -0.003 0.000 1.417 367 I CB 0.781 38.741 38.000 -0.067 0.000 1.396 367 I HN 0.034 nan 8.210 nan 0.000 0.571 368 P HA 0.085 nan 4.420 nan 0.000 0.279 368 P C -1.286 176.032 177.300 0.030 0.000 1.239 368 P CA -0.210 62.900 63.100 0.017 0.000 0.789 368 P CB 0.292 32.000 31.700 0.014 0.000 0.933 369 Y N 5.116 125.345 120.300 -0.120 0.000 2.350 369 Y HA 0.400 4.949 4.550 -0.001 0.000 0.340 369 Y C -2.496 173.318 175.900 -0.144 0.000 1.006 369 Y CA -3.258 54.749 58.100 -0.156 0.000 1.166 369 Y CB 0.449 38.816 38.460 -0.154 0.000 1.168 369 Y HN 0.300 nan 8.280 nan 0.000 0.502 370 P HA 0.402 nan 4.420 nan 0.000 0.292 370 P C -1.001 175.884 177.300 -0.692 0.000 1.287 370 P CA 0.006 62.861 63.100 -0.408 0.000 0.800 370 P CB 1.177 32.768 31.700 -0.182 0.000 0.945 371 I N 3.426 123.698 120.570 -0.497 0.000 2.517 371 I HA 0.249 4.419 4.170 -0.001 0.000 0.280 371 I C -0.084 175.931 176.117 -0.168 0.000 1.061 371 I CA -0.619 60.395 61.300 -0.476 0.000 1.091 371 I CB 1.425 39.017 38.000 -0.680 0.000 1.205 371 I HN 0.071 nan 8.210 nan 0.000 0.459 372 K N 6.371 126.687 120.400 -0.141 0.000 2.292 372 K HA 0.461 4.781 4.320 -0.001 0.000 0.270 372 K C -0.204 176.374 176.600 -0.036 0.000 1.062 372 K CA -0.572 55.681 56.287 -0.056 0.000 0.916 372 K CB 1.838 34.291 32.500 -0.078 0.000 1.166 372 K HN 0.439 nan 8.250 nan 0.000 0.458 373 V N 0.336 120.267 119.914 0.028 0.000 2.863 373 V HA 0.365 4.485 4.120 -0.001 0.000 0.307 373 V C -0.445 175.662 176.094 0.022 0.000 1.061 373 V CA -0.593 61.715 62.300 0.014 0.000 1.024 373 V CB 1.556 33.399 31.823 0.034 0.000 1.049 373 V HN 0.857 nan 8.190 nan 0.000 0.471 374 Q N 1.759 121.571 119.800 0.020 0.000 2.323 374 Q HA 0.684 5.024 4.340 -0.001 0.000 0.271 374 Q C -1.870 174.144 176.000 0.024 0.000 1.048 374 Q CA -0.694 55.120 55.803 0.018 0.000 0.792 374 Q CB 2.416 31.170 28.738 0.026 0.000 1.280 374 Q HN 0.837 nan 8.270 nan 0.000 0.441 375 V N 3.922 123.841 119.914 0.008 0.000 2.459 375 V HA 0.563 4.683 4.120 -0.001 0.000 0.295 375 V C -0.485 175.637 176.094 0.047 0.000 1.029 375 V CA -0.521 61.783 62.300 0.007 0.000 0.874 375 V CB 1.691 33.464 31.823 -0.083 0.000 0.985 375 V HN 0.725 nan 8.190 nan 0.000 0.438 376 K N 2.421 122.877 120.400 0.093 0.000 2.482 376 K HA 0.541 4.860 4.320 -0.001 0.000 0.257 376 K C -1.338 175.346 176.600 0.140 0.000 0.969 376 K CA -0.951 55.396 56.287 0.099 0.000 0.842 376 K CB 2.377 34.920 32.500 0.072 0.000 1.359 376 K HN 0.821 nan 8.250 nan 0.000 0.441 377 D N -0.654 119.796 120.400 0.083 0.000 2.466 377 D HA 0.033 4.672 4.640 -0.001 0.000 0.262 377 D C 0.685 176.934 176.300 -0.085 0.000 1.177 377 D CA -0.617 53.375 54.000 -0.012 0.000 1.035 377 D CB 0.552 41.313 40.800 -0.066 0.000 1.105 377 D HN 0.417 nan 8.370 nan 0.000 0.551 378 S N -1.077 114.474 115.700 -0.248 0.000 2.571 378 S HA -0.101 4.368 4.470 -0.001 0.000 0.245 378 S C 1.435 175.941 174.600 -0.156 0.000 0.976 378 S CA 0.347 58.366 58.200 -0.301 0.000 0.954 378 S CB -0.570 62.166 63.200 -0.774 0.000 0.756 378 S HN 0.481 nan 8.310 nan 0.000 0.535 379 L N 0.985 122.144 121.223 -0.107 0.000 2.818 379 L HA 0.270 4.609 4.340 -0.001 0.000 0.243 379 L C -0.098 176.814 176.870 0.070 0.000 1.185 379 L CA -0.047 54.828 54.840 0.059 0.000 0.988 379 L CB -0.042 42.044 42.059 0.044 0.000 1.292 379 L HN 0.057 nan 8.230 nan 0.000 0.519 380 D N 0.530 120.963 120.400 0.056 0.000 3.012 380 D HA -0.212 4.427 4.640 -0.001 0.000 0.222 380 D C 0.259 176.594 176.300 0.057 0.000 1.167 380 D CA 1.043 55.082 54.000 0.065 0.000 0.854 380 D CB -0.516 40.332 40.800 0.081 0.000 1.107 380 D HN 0.450 nan 8.370 nan 0.000 0.421 381 Q N -0.342 119.487 119.800 0.048 0.000 2.245 381 Q HA 0.604 4.944 4.340 -0.001 0.000 0.256 381 Q C 0.515 176.543 176.000 0.048 0.000 0.942 381 Q CA -0.672 55.158 55.803 0.045 0.000 0.896 381 Q CB 1.672 30.434 28.738 0.039 0.000 1.272 381 Q HN 0.197 nan 8.270 nan 0.000 0.442 382 L N 1.729 122.978 121.223 0.042 0.000 2.456 382 L HA 0.276 4.615 4.340 -0.001 0.000 0.272 382 L C -0.260 176.632 176.870 0.037 0.000 1.189 382 L CA -0.250 54.612 54.840 0.038 0.000 0.846 382 L CB 0.461 42.537 42.059 0.028 0.000 1.111 382 L HN 0.383 nan 8.230 nan 0.000 0.475 383 V N 2.500 122.433 119.914 0.033 0.000 2.686 383 V HA 0.878 4.998 4.120 -0.001 0.000 0.306 383 V C -0.108 175.978 176.094 -0.014 0.000 1.065 383 V CA -0.074 62.245 62.300 0.031 0.000 0.894 383 V CB 1.715 33.593 31.823 0.091 0.000 1.004 383 V HN 0.738 nan 8.190 nan 0.000 0.424 384 G N 2.962 111.752 108.800 -0.016 0.000 2.537 384 G HA2 0.647 4.607 3.960 -0.001 0.000 0.323 384 G HA3 0.647 4.607 3.960 -0.001 0.000 0.323 384 G C 0.777 175.648 174.900 -0.047 0.000 1.207 384 G CA -0.423 44.654 45.100 -0.039 0.000 0.976 384 G HN 2.189 nan 8.290 nan 0.000 0.487 385 G N -1.846 106.918 108.800 -0.061 0.000 2.195 385 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.246 385 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.246 385 G C 0.347 175.198 174.900 -0.083 0.000 0.984 385 G CA 0.333 45.398 45.100 -0.058 0.000 0.633 385 G HN 1.371 nan 8.290 nan 0.000 0.525 386 V N 2.499 122.332 119.914 -0.135 0.000 2.530 386 V HA 0.469 4.588 4.120 -0.001 0.000 0.282 386 V C -1.633 174.373 176.094 -0.146 0.000 1.048 386 V CA -1.304 60.870 62.300 -0.210 0.000 0.997 386 V CB 1.278 32.834 31.823 -0.445 0.000 0.987 386 V HN 0.183 nan 8.190 nan 0.000 0.477 387 P HA 0.392 nan 4.420 nan 0.000 0.285 387 P C -1.004 176.277 177.300 -0.032 0.000 1.259 387 P CA -0.330 62.734 63.100 -0.059 0.000 0.794 387 P CB 1.160 32.837 31.700 -0.038 0.000 0.940 388 V N 3.085 123.025 119.914 0.044 0.000 2.483 388 V HA 0.336 4.456 4.120 -0.001 0.000 0.297 388 V C 0.140 176.376 176.094 0.236 0.000 1.027 388 V CA -0.432 61.940 62.300 0.120 0.000 0.855 388 V CB 1.670 33.599 31.823 0.178 0.000 0.995 388 V HN 0.462 nan 8.190 nan 0.000 0.424 389 T N 5.763 120.381 114.554 0.106 0.000 2.889 389 T HA 0.595 4.945 4.350 -0.001 0.000 0.291 389 T C -0.435 174.228 174.700 -0.062 0.000 0.995 389 T CA -0.175 61.972 62.100 0.079 0.000 1.092 389 T CB 1.397 70.285 68.868 0.033 0.000 0.954 389 T HN 0.467 nan 8.240 nan 0.000 0.506 390 L N 3.700 124.836 121.223 -0.144 0.000 2.353 390 L HA 0.497 4.836 4.340 -0.001 0.000 0.270 390 L C -0.690 176.102 176.870 -0.130 0.000 1.003 390 L CA -0.385 54.248 54.840 -0.345 0.000 0.862 390 L CB 0.609 42.080 42.059 -0.979 0.000 1.221 390 L HN 0.483 nan 8.230 nan 0.000 0.430 391 N N 3.147 121.816 118.700 -0.053 0.000 2.509 391 N HA 0.856 5.596 4.740 -0.001 0.000 0.287 391 N C -0.887 174.645 175.510 0.036 0.000 1.121 391 N CA 0.015 53.063 53.050 -0.004 0.000 0.977 391 N CB 1.640 40.131 38.487 0.006 0.000 1.167 391 N HN 0.744 nan 8.380 nan 0.000 0.476 392 A N 1.200 124.045 122.820 0.042 0.000 2.539 392 A HA 0.594 4.913 4.320 -0.001 0.000 0.296 392 A C -1.600 176.022 177.584 0.064 0.000 1.073 392 A CA -0.572 51.514 52.037 0.081 0.000 0.700 392 A CB 1.928 20.967 19.000 0.064 0.000 1.296 392 A HN 0.460 nan 8.150 nan 0.000 0.405 393 Q N 0.727 120.574 119.800 0.079 0.000 2.305 393 Q HA 0.669 5.009 4.340 -0.001 0.000 0.271 393 Q C -1.609 174.425 176.000 0.057 0.000 1.046 393 Q CA -0.093 55.742 55.803 0.053 0.000 0.798 393 Q CB 2.369 31.131 28.738 0.039 0.000 1.286 393 Q HN 0.775 nan 8.270 nan 0.000 0.435 394 T N 3.815 118.393 114.554 0.041 0.000 2.916 394 T HA 0.698 5.048 4.350 -0.001 0.000 0.305 394 T C -0.661 174.054 174.700 0.024 0.000 1.119 394 T CA -0.486 61.635 62.100 0.036 0.000 1.008 394 T CB 0.977 69.865 68.868 0.034 0.000 1.129 394 T HN 0.576 nan 8.240 nan 0.000 0.480 395 I N -0.478 120.104 120.570 0.020 0.000 2.689 395 I HA 0.787 4.957 4.170 -0.001 0.000 0.299 395 I C -0.775 175.350 176.117 0.012 0.000 1.059 395 I CA -0.981 60.328 61.300 0.015 0.000 1.055 395 I CB 2.036 40.044 38.000 0.013 0.000 1.243 395 I HN 0.330 nan 8.210 nan 0.000 0.425 396 D N 2.430 122.837 120.400 0.012 0.000 2.358 396 D HA 0.141 4.780 4.640 -0.001 0.000 0.244 396 D C 0.803 177.111 176.300 0.013 0.000 1.163 396 D CA -0.297 53.710 54.000 0.013 0.000 0.945 396 D CB 2.101 42.910 40.800 0.014 0.000 1.152 396 D HN 0.465 nan 8.370 nan 0.000 0.451 397 V N 2.196 122.119 119.914 0.016 0.000 2.594 397 V HA -0.163 3.957 4.120 -0.001 0.000 0.253 397 V C 1.498 177.602 176.094 0.017 0.000 1.069 397 V CA 1.535 63.846 62.300 0.018 0.000 1.082 397 V CB -0.536 31.303 31.823 0.026 0.000 0.680 397 V HN 0.478 nan 8.190 nan 0.000 0.469 398 N N 0.193 118.903 118.700 0.016 0.000 2.515 398 N HA -0.038 4.702 4.740 -0.001 0.000 0.191 398 N C 0.989 176.506 175.510 0.012 0.000 1.182 398 N CA 0.329 53.388 53.050 0.015 0.000 0.879 398 N CB -0.034 38.463 38.487 0.015 0.000 0.984 398 N HN 0.546 nan 8.380 nan 0.000 0.453 399 Q N -1.036 118.771 119.800 0.012 0.000 2.424 399 Q HA -0.235 4.104 4.340 -0.001 0.000 0.234 399 Q C -0.457 175.549 176.000 0.010 0.000 0.748 399 Q CA 0.795 56.603 55.803 0.010 0.000 1.286 399 Q CB -1.782 26.961 28.738 0.008 0.000 1.494 399 Q HN 0.654 nan 8.270 nan 0.000 0.683 400 E N 0.193 120.399 120.200 0.011 0.000 2.374 400 E HA 0.360 4.710 4.350 -0.001 0.000 0.260 400 E C -0.157 176.450 176.600 0.011 0.000 1.101 400 E CA 0.224 56.631 56.400 0.010 0.000 0.907 400 E CB 0.955 30.661 29.700 0.011 0.000 1.014 400 E HN 0.099 nan 8.360 nan 0.000 0.427 401 T N 0.611 115.171 114.554 0.011 0.000 2.932 401 T HA 0.549 4.899 4.350 -0.001 0.000 0.289 401 T C -1.361 173.346 174.700 0.013 0.000 1.039 401 T CA -0.520 61.587 62.100 0.012 0.000 1.024 401 T CB 1.001 69.875 68.868 0.010 0.000 1.090 401 T HN 0.443 nan 8.240 nan 0.000 0.496 402 S N 2.576 118.285 115.700 0.015 0.000 2.614 402 S HA 0.458 4.928 4.470 -0.001 0.000 0.275 402 S C -1.587 173.024 174.600 0.018 0.000 1.161 402 S CA -0.962 57.248 58.200 0.016 0.000 0.969 402 S CB 1.601 64.811 63.200 0.017 0.000 1.059 402 S HN 0.643 nan 8.310 nan 0.000 0.482 403 D N 3.587 123.996 120.400 0.016 0.000 2.499 403 D HA 0.291 4.930 4.640 -0.001 0.000 0.225 403 D C 0.534 176.844 176.300 0.017 0.000 1.124 403 D CA -0.207 53.803 54.000 0.016 0.000 0.938 403 D CB 0.679 41.487 40.800 0.012 0.000 1.014 403 D HN 0.550 nan 8.370 nan 0.000 0.517 404 L N 1.019 122.255 121.223 0.021 0.000 2.489 404 L HA -0.007 4.333 4.340 -0.001 0.000 0.285 404 L C 0.979 177.859 176.870 0.017 0.000 1.259 404 L CA 0.445 55.297 54.840 0.019 0.000 0.828 404 L CB 0.366 42.438 42.059 0.022 0.000 1.094 404 L HN 0.162 nan 8.230 nan 0.000 0.524 405 D N 1.168 121.578 120.400 0.016 0.000 2.304 405 D HA 0.253 4.892 4.640 -0.001 0.000 0.250 405 D C -2.059 174.253 176.300 0.020 0.000 1.107 405 D CA -0.955 53.055 54.000 0.016 0.000 0.885 405 D CB 1.141 41.950 40.800 0.015 0.000 1.192 405 D HN 0.265 nan 8.370 nan 0.000 0.436 406 P HA 0.051 nan 4.420 nan 0.000 0.265 406 P C -0.534 176.795 177.300 0.048 0.000 1.193 406 P CA 0.043 63.158 63.100 0.025 0.000 0.765 406 P CB 0.633 32.346 31.700 0.022 0.000 0.823 407 S N 2.069 117.816 115.700 0.079 0.000 2.713 407 S HA 0.608 5.078 4.470 -0.001 0.000 0.283 407 S C -0.227 174.515 174.600 0.238 0.000 1.161 407 S CA -0.635 57.668 58.200 0.172 0.000 0.999 407 S CB 1.056 64.440 63.200 0.308 0.000 1.039 407 S HN 0.449 nan 8.310 nan 0.000 0.548 408 K N 0.536 121.071 120.400 0.225 0.000 2.571 408 K HA 0.468 4.788 4.320 -0.001 0.000 0.252 408 K C -1.080 175.504 176.600 -0.026 0.000 0.956 408 K CA -0.205 56.187 56.287 0.175 0.000 0.822 408 K CB 1.665 34.210 32.500 0.076 0.000 1.286 408 K HN 0.602 nan 8.250 nan 0.000 0.439 409 S N 1.965 117.583 115.700 -0.137 0.000 2.900 409 S HA 0.772 5.242 4.470 -0.001 0.000 0.320 409 S C -1.497 173.007 174.600 -0.161 0.000 1.130 409 S CA -0.548 57.469 58.200 -0.305 0.000 0.863 409 S CB 1.620 64.398 63.200 -0.705 0.000 1.295 409 S HN 0.296 nan 8.310 nan 0.000 0.596 410 V N 1.367 121.176 119.914 -0.176 0.000 2.760 410 V HA 0.455 4.574 4.120 -0.001 0.000 0.309 410 V C 0.077 176.099 176.094 -0.118 0.000 1.077 410 V CA -0.838 61.393 62.300 -0.116 0.000 0.910 410 V CB 1.495 33.261 31.823 -0.096 0.000 1.008 410 V HN 0.948 nan 8.190 nan 0.000 0.424 411 T N 4.543 119.039 114.554 -0.097 0.000 2.867 411 T HA 0.152 4.501 4.350 -0.001 0.000 0.297 411 T C 0.489 175.142 174.700 -0.078 0.000 0.989 411 T CA 0.144 62.193 62.100 -0.084 0.000 1.159 411 T CB -0.017 68.800 68.868 -0.084 0.000 0.928 411 T HN 0.763 nan 8.240 nan 0.000 0.538 412 R N 3.090 123.545 120.500 -0.075 0.000 2.944 412 R HA 0.106 4.445 4.340 -0.001 0.000 0.279 412 R C 1.139 177.411 176.300 -0.047 0.000 1.048 412 R CA 0.089 56.151 56.100 -0.064 0.000 1.196 412 R CB 0.101 30.362 30.300 -0.064 0.000 1.134 412 R HN 0.596 nan 8.270 nan 0.000 0.525 413 V N 0.670 120.560 119.914 -0.039 0.000 2.492 413 V HA -0.102 4.018 4.120 -0.001 0.000 0.241 413 V C 1.658 177.741 176.094 -0.018 0.000 1.041 413 V CA 1.520 63.804 62.300 -0.026 0.000 1.057 413 V CB -0.602 31.206 31.823 -0.025 0.000 0.711 413 V HN 0.930 nan 8.190 nan 0.000 0.468 414 D N -0.386 120.002 120.400 -0.019 0.000 2.277 414 D HA -0.145 4.495 4.640 -0.001 0.000 0.208 414 D C 1.298 177.593 176.300 -0.008 0.000 0.962 414 D CA 0.989 54.982 54.000 -0.012 0.000 0.865 414 D CB 0.070 40.861 40.800 -0.014 0.000 0.939 414 D HN 0.345 nan 8.370 nan 0.000 0.510 415 D N 0.137 120.527 120.400 -0.017 0.000 2.414 415 D HA 0.106 4.746 4.640 -0.001 0.000 0.237 415 D C 1.846 178.139 176.300 -0.011 0.000 0.975 415 D CA 2.084 56.075 54.000 -0.016 0.000 0.917 415 D CB 0.311 41.091 40.800 -0.033 0.000 1.061 415 D HN 0.355 nan 8.370 nan 0.000 0.480 416 G N 0.170 108.958 108.800 -0.019 0.000 2.179 416 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.260 416 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.260 416 G C 0.254 175.140 174.900 -0.024 0.000 0.977 416 G CA 0.512 45.602 45.100 -0.018 0.000 0.641 416 G HN 0.313 nan 8.290 nan 0.000 0.533 417 V N 1.467 121.362 119.914 -0.031 0.000 2.406 417 V HA 0.690 4.809 4.120 -0.001 0.000 0.272 417 V C 0.784 176.844 176.094 -0.057 0.000 1.043 417 V CA -0.129 62.150 62.300 -0.034 0.000 0.915 417 V CB 1.280 33.078 31.823 -0.041 0.000 0.988 417 V HN 1.057 nan 8.190 nan 0.000 0.466 418 A N 4.401 127.201 122.820 -0.035 0.000 2.276 418 A HA 0.660 4.980 4.320 -0.001 0.000 0.300 418 A C 0.376 177.913 177.584 -0.078 0.000 1.235 418 A CA -0.207 51.784 52.037 -0.077 0.000 0.867 418 A CB 0.420 19.432 19.000 0.020 0.000 1.137 418 A HN 0.711 nan 8.150 nan 0.000 0.527 419 S N 1.136 116.694 115.700 -0.235 0.000 2.578 419 S HA 0.797 5.267 4.470 -0.001 0.000 0.283 419 S C -0.826 173.521 174.600 -0.421 0.000 1.195 419 S CA -0.014 58.064 58.200 -0.202 0.000 1.050 419 S CB 0.430 63.518 63.200 -0.187 0.000 1.012 419 S HN 0.502 nan 8.310 nan 0.000 0.511 420 F N 0.497 120.331 119.950 -0.194 0.000 2.613 420 F HA 0.676 5.203 4.527 -0.001 0.000 0.314 420 F C -0.571 175.090 175.800 -0.231 0.000 1.075 420 F CA -0.801 57.079 58.000 -0.201 0.000 0.945 420 F CB 1.931 40.791 39.000 -0.234 0.000 1.310 420 F HN 0.191 nan 8.300 nan 0.000 0.467 421 V N 3.034 122.949 119.914 0.003 0.000 2.711 421 V HA 0.474 4.594 4.120 -0.001 0.000 0.304 421 V C -1.338 174.738 176.094 -0.030 0.000 1.097 421 V CA -0.740 61.520 62.300 -0.066 0.000 0.906 421 V CB 1.999 33.779 31.823 -0.071 0.000 1.015 421 V HN 0.551 nan 8.190 nan 0.000 0.427 422 L N 2.824 124.021 121.223 -0.045 0.000 2.329 422 L HA 0.673 5.012 4.340 -0.001 0.000 0.279 422 L C 0.096 176.974 176.870 0.012 0.000 1.014 422 L CA -0.515 54.320 54.840 -0.008 0.000 0.814 422 L CB 1.206 43.258 42.059 -0.012 0.000 1.257 422 L HN 0.477 nan 8.230 nan 0.000 0.424 423 N N 4.383 123.090 118.700 0.012 0.000 2.645 423 N HA 0.341 5.081 4.740 -0.001 0.000 0.233 423 N C -0.962 174.557 175.510 0.015 0.000 1.058 423 N CA -0.346 52.713 53.050 0.014 0.000 0.942 423 N CB 1.034 39.527 38.487 0.009 0.000 1.210 423 N HN 0.545 nan 8.380 nan 0.000 0.512 424 L N 2.449 123.682 121.223 0.016 0.000 2.380 424 L HA 0.301 4.641 4.340 -0.001 0.000 0.273 424 L C -1.806 175.065 176.870 0.001 0.000 1.138 424 L CA -1.682 53.163 54.840 0.009 0.000 0.832 424 L CB -0.007 42.053 42.059 0.001 0.000 1.124 424 L HN 0.097 nan 8.230 nan 0.000 0.454 425 P HA -0.019 nan 4.420 nan 0.000 0.264 425 P C 0.617 177.918 177.300 0.000 0.000 1.183 425 P CA 0.013 63.118 63.100 0.008 0.000 0.763 425 P CB 0.605 32.312 31.700 0.011 0.000 0.807 426 S N 1.816 117.521 115.700 0.007 0.000 2.420 426 S HA -0.144 4.326 4.470 -0.001 0.000 0.237 426 S C 1.984 176.585 174.600 0.002 0.000 1.023 426 S CA 1.187 59.388 58.200 0.001 0.000 0.991 426 S CB -1.180 62.040 63.200 0.033 0.000 0.792 426 S HN 0.646 nan 8.310 nan 0.000 0.488 427 G N 0.894 109.703 108.800 0.015 0.000 2.882 427 G HA2 0.210 4.169 3.960 -0.001 0.000 0.206 427 G HA3 0.210 4.169 3.960 -0.001 0.000 0.206 427 G C 0.340 175.244 174.900 0.007 0.000 1.155 427 G CA -0.036 45.076 45.100 0.019 0.000 0.800 427 G HN 0.450 nan 8.290 nan 0.000 0.524 428 V N 0.804 120.713 119.914 -0.009 0.000 2.775 428 V HA 0.460 4.580 4.120 -0.001 0.000 0.299 428 V C 1.383 177.464 176.094 -0.022 0.000 1.062 428 V CA 1.104 63.397 62.300 -0.013 0.000 1.063 428 V CB 1.700 33.511 31.823 -0.019 0.000 0.994 428 V HN 0.424 nan 8.190 nan 0.000 0.483 429 T N 2.687 117.235 114.554 -0.011 0.000 3.321 429 T HA 0.273 4.622 4.350 -0.001 0.000 0.251 429 T C 0.115 174.814 174.700 -0.001 0.000 0.999 429 T CA 0.155 62.251 62.100 -0.007 0.000 1.186 429 T CB 0.224 69.094 68.868 0.004 0.000 1.163 429 T HN 0.474 nan 8.240 nan 0.000 0.399 430 V N 2.649 122.569 119.914 0.010 0.000 2.448 430 V HA 0.600 4.720 4.120 -0.001 0.000 0.295 430 V C -0.928 175.188 176.094 0.037 0.000 1.025 430 V CA -0.942 61.373 62.300 0.025 0.000 0.859 430 V CB 1.858 33.696 31.823 0.025 0.000 0.988 430 V HN 0.504 nan 8.190 nan 0.000 0.431 431 L N 4.441 125.700 121.223 0.060 0.000 2.325 431 L HA 0.630 4.970 4.340 -0.001 0.000 0.281 431 L C -0.605 176.364 176.870 0.164 0.000 1.004 431 L CA -0.345 54.566 54.840 0.119 0.000 0.823 431 L CB 1.590 43.733 42.059 0.140 0.000 1.236 431 L HN 0.639 nan 8.230 nan 0.000 0.415 432 E N 6.306 126.588 120.200 0.135 0.000 2.114 432 E HA 0.295 4.645 4.350 -0.001 0.000 0.266 432 E C -1.248 175.439 176.600 0.145 0.000 0.896 432 E CA -0.394 56.049 56.400 0.072 0.000 0.750 432 E CB 1.798 31.506 29.700 0.014 0.000 1.121 432 E HN 0.395 nan 8.360 nan 0.000 0.413 433 F N 0.609 120.594 119.950 0.057 0.000 2.508 433 F HA 0.571 5.097 4.527 -0.001 0.000 0.325 433 F C -0.116 175.707 175.800 0.038 0.000 1.090 433 F CA -1.159 56.857 58.000 0.027 0.000 0.945 433 F CB 1.023 40.021 39.000 -0.004 0.000 1.156 433 F HN -0.019 nan 8.300 nan 0.000 0.463 434 N N 1.730 120.518 118.700 0.147 0.000 2.456 434 N HA 0.631 5.371 4.740 -0.001 0.000 0.296 434 N C -1.452 174.105 175.510 0.079 0.000 1.102 434 N CA -0.553 52.540 53.050 0.071 0.000 0.924 434 N CB 2.363 40.863 38.487 0.021 0.000 1.186 434 N HN 0.562 nan 8.380 nan 0.000 0.492 435 V N 2.012 121.967 119.914 0.069 0.000 2.524 435 V HA 0.386 4.506 4.120 -0.001 0.000 0.297 435 V C -0.540 175.566 176.094 0.021 0.000 1.035 435 V CA -0.723 61.587 62.300 0.017 0.000 0.867 435 V CB 1.659 33.521 31.823 0.065 0.000 1.004 435 V HN 0.761 nan 8.190 nan 0.000 0.426 436 K N 1.999 122.398 120.400 -0.002 0.000 2.482 436 K HA 0.823 5.143 4.320 -0.001 0.000 0.257 436 K C -0.321 176.283 176.600 0.007 0.000 0.969 436 K CA -0.695 55.598 56.287 0.010 0.000 0.842 436 K CB 2.135 34.638 32.500 0.005 0.000 1.359 436 K HN 0.542 nan 8.250 nan 0.000 0.441 437 T N -1.559 112.997 114.554 0.003 0.000 2.882 437 T HA 0.233 4.583 4.350 -0.001 0.000 0.287 437 T C -0.144 174.549 174.700 -0.012 0.000 1.014 437 T CA -0.428 61.652 62.100 -0.032 0.000 1.049 437 T CB 0.872 69.695 68.868 -0.076 0.000 1.001 437 T HN 0.674 nan 8.240 nan 0.000 0.525 438 D N 0.363 120.746 120.400 -0.028 0.000 2.673 438 D HA 0.289 4.929 4.640 -0.001 0.000 0.278 438 D C 0.502 176.800 176.300 -0.004 0.000 1.393 438 D CA -0.433 53.563 54.000 -0.008 0.000 0.805 438 D CB 0.310 41.108 40.800 -0.003 0.000 1.110 438 D HN 0.921 nan 8.370 nan 0.000 0.476 439 A N 1.802 124.625 122.820 0.006 0.000 2.572 439 A HA 0.074 4.394 4.320 -0.001 0.000 0.256 439 A C -1.444 176.167 177.584 0.045 0.000 1.041 439 A CA -0.277 51.789 52.037 0.048 0.000 0.790 439 A CB 0.321 19.438 19.000 0.195 0.000 0.947 439 A HN 0.099 nan 8.150 nan 0.000 0.518 440 P HA -0.064 nan 4.420 nan 0.000 0.233 440 P C 0.505 177.820 177.300 0.025 0.000 1.167 440 P CA 1.188 64.300 63.100 0.019 0.000 0.770 440 P CB 0.185 31.893 31.700 0.014 0.000 0.837 441 D N -1.439 118.986 120.400 0.043 0.000 2.354 441 D HA 0.003 4.643 4.640 -0.001 0.000 0.209 441 D C 0.634 176.963 176.300 0.048 0.000 1.015 441 D CA 0.136 54.166 54.000 0.051 0.000 0.867 441 D CB -0.218 40.620 40.800 0.064 0.000 0.933 441 D HN 0.198 nan 8.370 nan 0.000 0.520 442 L N 1.662 122.901 121.223 0.026 0.000 2.326 442 L HA 0.325 4.665 4.340 -0.001 0.000 0.278 442 L C -2.231 174.567 176.870 -0.120 0.000 1.092 442 L CA -1.807 52.998 54.840 -0.058 0.000 0.810 442 L CB 1.410 43.462 42.059 -0.012 0.000 1.153 442 L HN -0.259 nan 8.230 nan 0.000 0.439 443 P HA 0.039 nan 4.420 nan 0.000 0.274 443 P C 0.387 177.585 177.300 -0.171 0.000 1.231 443 P CA -0.398 62.578 63.100 -0.207 0.000 0.790 443 P CB 0.732 32.248 31.700 -0.306 0.000 0.951 444 E N 1.881 122.017 120.200 -0.105 0.000 2.086 444 E HA -0.263 4.087 4.350 -0.001 0.000 0.200 444 E C 1.396 177.939 176.600 -0.094 0.000 1.012 444 E CA 1.846 58.200 56.400 -0.077 0.000 0.812 444 E CB -0.208 29.461 29.700 -0.052 0.000 0.743 444 E HN 0.481 nan 8.360 nan 0.000 0.453 445 E N -0.093 120.039 120.200 -0.114 0.000 2.086 445 E HA -0.227 4.123 4.350 -0.001 0.000 0.200 445 E C 1.546 178.067 176.600 -0.132 0.000 1.012 445 E CA 1.702 58.033 56.400 -0.115 0.000 0.812 445 E CB -0.324 29.303 29.700 -0.120 0.000 0.743 445 E HN 0.343 nan 8.360 nan 0.000 0.453 446 N N 0.333 118.909 118.700 -0.208 0.000 2.336 446 N HA -0.010 4.730 4.740 -0.001 0.000 0.189 446 N C -0.049 175.393 175.510 -0.113 0.000 1.113 446 N CA 0.013 52.943 53.050 -0.200 0.000 0.858 446 N CB 0.351 38.607 38.487 -0.385 0.000 0.970 446 N HN 0.052 nan 8.380 nan 0.000 0.471 447 Q N 0.863 120.618 119.800 -0.075 0.000 2.474 447 Q HA 0.249 4.589 4.340 -0.001 0.000 0.256 447 Q C 0.032 176.045 176.000 0.023 0.000 1.048 447 Q CA 0.075 55.880 55.803 0.005 0.000 0.922 447 Q CB 0.700 29.436 28.738 -0.003 0.000 1.288 447 Q HN 0.270 nan 8.270 nan 0.000 0.484 448 A N 2.452 125.318 122.820 0.076 0.000 2.304 448 A HA 0.658 4.978 4.320 -0.001 0.000 0.301 448 A C -0.126 177.482 177.584 0.039 0.000 1.132 448 A CA -0.483 51.594 52.037 0.067 0.000 0.819 448 A CB 0.698 19.774 19.000 0.128 0.000 1.094 448 A HN 0.775 nan 8.150 nan 0.000 0.492 449 R N 0.886 121.401 120.500 0.026 0.000 2.710 449 R HA 0.842 5.181 4.340 -0.001 0.000 0.270 449 R C -1.715 174.593 176.300 0.013 0.000 1.021 449 R CA -0.907 55.203 56.100 0.017 0.000 0.889 449 R CB 1.635 31.932 30.300 -0.005 0.000 1.243 449 R HN 0.508 nan 8.270 nan 0.000 0.464 450 E N 0.125 120.339 120.200 0.024 0.000 2.380 450 E HA 0.412 4.761 4.350 -0.001 0.000 0.281 450 E C -1.300 175.281 176.600 -0.031 0.000 0.999 450 E CA -0.634 55.755 56.400 -0.019 0.000 0.800 450 E CB 2.436 32.202 29.700 0.110 0.000 1.228 450 E HN 0.857 nan 8.360 nan 0.000 0.436 451 G N 0.732 109.372 108.800 -0.266 0.000 2.498 451 G HA2 0.765 4.725 3.960 -0.001 0.000 0.312 451 G HA3 0.765 4.725 3.960 -0.001 0.000 0.312 451 G C -1.425 173.096 174.900 -0.632 0.000 1.230 451 G CA -0.276 44.666 45.100 -0.265 0.000 0.968 451 G HN 0.292 nan 8.290 nan 0.000 0.481 452 Y N -0.948 118.997 120.300 -0.591 0.000 2.689 452 Y HA 0.704 5.254 4.550 -0.001 0.000 0.333 452 Y C 0.066 175.582 175.900 -0.639 0.000 1.190 452 Y CA -1.159 56.531 58.100 -0.684 0.000 1.063 452 Y CB 2.498 40.364 38.460 -0.990 0.000 1.294 452 Y HN 0.575 nan 8.280 nan 0.000 0.466 453 R N 1.244 121.617 120.500 -0.212 0.000 2.574 453 R HA 0.865 5.205 4.340 -0.001 0.000 0.288 453 R C -1.922 174.408 176.300 0.050 0.000 1.004 453 R CA -0.676 55.380 56.100 -0.073 0.000 0.895 453 R CB 1.705 31.983 30.300 -0.038 0.000 1.191 453 R HN 0.826 nan 8.270 nan 0.000 0.444 454 A N 5.477 128.382 122.820 0.141 0.000 2.330 454 A HA 0.685 5.005 4.320 -0.001 0.000 0.327 454 A C -0.794 176.853 177.584 0.105 0.000 1.155 454 A CA -0.746 51.350 52.037 0.097 0.000 0.803 454 A CB 0.920 19.890 19.000 -0.049 0.000 1.208 454 A HN 0.696 nan 8.150 nan 0.000 0.477 455 I N 1.283 122.003 120.570 0.250 0.000 2.608 455 I HA 0.515 4.685 4.170 -0.001 0.000 0.295 455 I C 0.533 176.706 176.117 0.095 0.000 1.049 455 I CA -0.697 60.705 61.300 0.169 0.000 1.063 455 I CB 2.186 40.292 38.000 0.177 0.000 1.248 455 I HN 0.749 nan 8.210 nan 0.000 0.424 456 A N 5.584 128.405 122.820 0.002 0.000 2.409 456 A HA 0.152 4.472 4.320 -0.001 0.000 0.267 456 A C -0.612 176.974 177.584 0.002 0.000 1.127 456 A CA 0.041 52.064 52.037 -0.023 0.000 0.795 456 A CB -0.158 18.815 19.000 -0.045 0.000 1.061 456 A HN 0.700 nan 8.150 nan 0.000 0.502 457 Y N 3.307 123.541 120.300 -0.111 0.000 2.805 457 Y HA 0.142 4.692 4.550 -0.001 0.000 0.331 457 Y C 0.316 176.253 175.900 0.062 0.000 1.241 457 Y CA 0.798 58.869 58.100 -0.047 0.000 1.546 457 Y CB 0.363 38.841 38.460 0.030 0.000 1.248 457 Y HN 0.606 nan 8.280 nan 0.000 0.559 458 S N 4.583 120.376 115.700 0.156 0.000 2.475 458 S HA 0.510 4.979 4.470 -0.001 0.000 0.298 458 S C -0.865 173.904 174.600 0.281 0.000 1.119 458 S CA -0.826 57.514 58.200 0.233 0.000 1.085 458 S CB 1.615 64.844 63.200 0.047 0.000 1.028 458 S HN 0.592 nan 8.310 nan 0.000 0.489 459 S N 2.249 118.131 115.700 0.302 0.000 2.599 459 S HA 0.254 4.724 4.470 -0.001 0.000 0.269 459 S C 0.142 174.747 174.600 0.007 0.000 1.135 459 S CA -0.573 57.722 58.200 0.158 0.000 1.027 459 S CB 0.593 63.921 63.200 0.213 0.000 1.129 459 S HN 0.570 nan 8.310 nan 0.000 0.458 460 L N 4.395 125.609 121.223 -0.016 0.000 2.265 460 L HA 0.103 4.442 4.340 -0.001 0.000 0.215 460 L C 2.059 178.850 176.870 -0.132 0.000 1.117 460 L CA 1.708 56.517 54.840 -0.051 0.000 0.782 460 L CB -0.266 41.767 42.059 -0.043 0.000 0.914 460 L HN 0.692 nan 8.230 nan 0.000 0.441 461 S N -0.523 115.066 115.700 -0.185 0.000 2.603 461 S HA -0.090 4.380 4.470 -0.001 0.000 0.229 461 S C 0.890 175.286 174.600 -0.341 0.000 0.972 461 S CA 0.160 58.163 58.200 -0.328 0.000 0.935 461 S CB -0.185 62.839 63.200 -0.293 0.000 0.769 461 S HN 0.482 nan 8.310 nan 0.000 0.536 462 Q N 0.167 119.795 119.800 -0.286 0.000 2.393 462 Q HA -0.182 4.158 4.340 -0.001 0.000 0.235 462 Q C 0.240 175.834 176.000 -0.677 0.000 0.823 462 Q CA 0.883 56.481 55.803 -0.342 0.000 1.284 462 Q CB -2.064 26.604 28.738 -0.115 0.000 1.669 462 Q HN 0.591 nan 8.270 nan 0.000 0.597 463 S N -0.473 114.863 115.700 -0.608 0.000 2.537 463 S HA 0.618 5.087 4.470 -0.001 0.000 0.275 463 S C -0.581 173.579 174.600 -0.734 0.000 1.272 463 S CA -0.392 57.541 58.200 -0.445 0.000 1.050 463 S CB 0.601 63.751 63.200 -0.084 0.000 0.961 463 S HN 0.218 nan 8.310 nan 0.000 0.496 464 Y N 1.910 122.227 120.300 0.029 0.000 2.889 464 Y HA 0.812 5.362 4.550 -0.001 0.000 0.317 464 Y C -0.706 175.203 175.900 0.014 0.000 1.414 464 Y CA -1.219 56.765 58.100 -0.194 0.000 1.091 464 Y CB 0.881 39.227 38.460 -0.191 0.000 1.358 464 Y HN 0.621 nan 8.280 nan 0.000 0.487 465 L N 0.567 121.867 121.223 0.129 0.000 2.556 465 L HA 0.585 4.925 4.340 -0.001 0.000 0.257 465 L C -2.423 174.615 176.870 0.281 0.000 0.955 465 L CA -0.929 54.069 54.840 0.264 0.000 0.850 465 L CB 2.243 44.492 42.059 0.316 0.000 1.398 465 L HN 0.567 nan 8.230 nan 0.000 0.412 466 Y N 5.279 125.652 120.300 0.123 0.000 2.315 466 Y HA 0.631 5.181 4.550 -0.001 0.000 0.324 466 Y C -1.189 174.763 175.900 0.087 0.000 1.062 466 Y CA -1.860 56.300 58.100 0.101 0.000 1.159 466 Y CB 1.211 39.717 38.460 0.078 0.000 1.145 466 Y HN 0.570 nan 8.280 nan 0.000 0.442 467 I N 3.078 123.696 120.570 0.080 0.000 2.377 467 I HA 0.758 4.927 4.170 -0.001 0.000 0.293 467 I C -0.896 175.131 176.117 -0.150 0.000 0.987 467 I CA -0.263 60.971 61.300 -0.109 0.000 1.185 467 I CB 1.914 39.921 38.000 0.012 0.000 1.341 467 I HN 0.452 nan 8.210 nan 0.000 0.455 468 D N 4.771 125.048 120.400 -0.205 0.000 2.867 468 D HA 0.689 5.329 4.640 -0.001 0.000 0.308 468 D C -1.801 174.689 176.300 0.315 0.000 1.202 468 D CA -0.200 53.831 54.000 0.051 0.000 1.035 468 D CB 1.956 42.565 40.800 -0.320 0.000 1.427 468 D HN 0.836 nan 8.370 nan 0.000 0.570 469 W N -1.052 120.161 121.300 -0.146 0.000 3.073 469 W HA 0.544 5.204 4.660 -0.001 0.000 0.347 469 W C -2.196 174.269 176.519 -0.089 0.000 1.059 469 W CA -0.655 56.620 57.345 -0.117 0.000 1.075 469 W CB 0.359 29.755 29.460 -0.108 0.000 1.467 469 W HN 0.306 nan 8.180 nan 0.000 0.555 470 T N 2.551 116.966 114.554 -0.231 0.000 2.933 470 T HA 0.450 4.800 4.350 -0.001 0.000 0.305 470 T C -2.161 172.472 174.700 -0.112 0.000 1.092 470 T CA -0.517 61.374 62.100 -0.348 0.000 1.008 470 T CB 1.853 70.587 68.868 -0.222 0.000 1.102 470 T HN 0.581 nan 8.240 nan 0.000 0.469 471 D N 1.755 122.081 120.400 -0.124 0.000 2.419 471 D HA 0.110 4.750 4.640 -0.001 0.000 0.219 471 D C 0.562 176.874 176.300 0.020 0.000 1.349 471 D CA -0.428 53.584 54.000 0.020 0.000 0.964 471 D CB 0.937 41.789 40.800 0.087 0.000 1.463 471 D HN 0.455 nan 8.370 nan 0.000 0.573 472 N N 2.378 121.120 118.700 0.070 0.000 2.247 472 N HA -0.235 4.505 4.740 -0.001 0.000 0.189 472 N C 0.597 176.180 175.510 0.122 0.000 1.009 472 N CA 1.448 54.534 53.050 0.060 0.000 0.872 472 N CB -0.885 37.627 38.487 0.041 0.000 0.980 472 N HN 0.687 nan 8.380 nan 0.000 0.436 473 H N -2.307 116.753 119.070 -0.016 0.000 2.595 473 H HA 0.476 5.032 4.556 -0.001 0.000 0.313 473 H C 0.384 175.717 175.328 0.008 0.000 1.023 473 H CA -1.103 54.941 56.048 -0.008 0.000 1.218 473 H CB 1.381 31.138 29.762 -0.008 0.000 1.403 473 H HN -0.294 nan 8.280 nan 0.000 0.477 474 K N 2.793 123.169 120.400 -0.040 0.000 2.360 474 K HA -0.013 4.307 4.320 -0.001 0.000 0.201 474 K C 0.628 177.163 176.600 -0.108 0.000 1.046 474 K CA 0.648 56.902 56.287 -0.055 0.000 0.945 474 K CB -0.002 32.504 32.500 0.011 0.000 0.750 474 K HN 0.741 nan 8.250 nan 0.000 0.464 475 A N 2.044 124.783 122.820 -0.134 0.000 2.807 475 A HA 0.240 4.560 4.320 -0.001 0.000 0.307 475 A C 0.099 177.534 177.584 -0.248 0.000 1.532 475 A CA -0.330 51.627 52.037 -0.134 0.000 1.215 475 A CB -0.505 18.473 19.000 -0.037 0.000 1.127 475 A HN 0.194 nan 8.150 nan 0.000 0.543 476 L N 2.929 123.996 121.223 -0.261 0.000 2.584 476 L HA 0.009 4.349 4.340 -0.001 0.000 0.272 476 L C -0.091 176.680 176.870 -0.165 0.000 1.195 476 L CA 0.245 54.925 54.840 -0.266 0.000 0.920 476 L CB 0.184 42.104 42.059 -0.232 0.000 1.173 476 L HN 0.528 nan 8.230 nan 0.000 0.489 477 L N 4.854 126.027 121.223 -0.083 0.000 2.281 477 L HA 0.222 4.562 4.340 -0.001 0.000 0.285 477 L C 0.420 177.261 176.870 -0.048 0.000 1.074 477 L CA -0.506 54.332 54.840 -0.003 0.000 0.817 477 L CB 1.396 43.528 42.059 0.122 0.000 1.168 477 L HN 0.315 nan 8.230 nan 0.000 0.434 478 V N 4.910 124.787 119.914 -0.061 0.000 2.752 478 V HA 0.069 4.189 4.120 -0.001 0.000 0.306 478 V C 1.301 177.351 176.094 -0.074 0.000 1.099 478 V CA 1.997 64.251 62.300 -0.076 0.000 1.240 478 V CB 0.588 32.379 31.823 -0.053 0.000 0.887 478 V HN 1.105 nan 8.190 nan 0.000 0.499 479 G N 3.687 112.415 108.800 -0.120 0.000 2.258 479 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.233 479 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.233 479 G C 0.327 175.105 174.900 -0.203 0.000 1.006 479 G CA 0.334 45.352 45.100 -0.135 0.000 0.620 479 G HN 0.743 nan 8.290 nan 0.000 0.511 480 E N 0.283 120.393 120.200 -0.150 0.000 2.569 480 E HA 0.347 4.697 4.350 -0.001 0.000 0.258 480 E C -0.233 176.181 176.600 -0.310 0.000 1.390 480 E CA -0.073 56.263 56.400 -0.107 0.000 1.049 480 E CB 0.190 29.883 29.700 -0.011 0.000 1.009 480 E HN 0.511 nan 8.360 nan 0.000 0.580 481 H N 0.531 119.585 119.070 -0.027 0.000 2.658 481 H HA 0.271 4.826 4.556 -0.001 0.000 0.337 481 H C -0.843 174.458 175.328 -0.046 0.000 1.009 481 H CA -0.501 55.519 56.048 -0.048 0.000 1.231 481 H CB 1.037 30.778 29.762 -0.035 0.000 1.508 481 H HN 0.256 nan 8.280 nan 0.000 0.517 482 L N 4.095 125.315 121.223 -0.004 0.000 2.257 482 L HA 0.222 4.562 4.340 -0.001 0.000 0.290 482 L C 0.217 177.076 176.870 -0.018 0.000 1.044 482 L CA -0.333 54.482 54.840 -0.041 0.000 0.810 482 L CB 0.296 42.243 42.059 -0.186 0.000 1.193 482 L HN 0.536 nan 8.230 nan 0.000 0.425 483 N N 6.586 125.311 118.700 0.042 0.000 2.485 483 N HA 0.248 4.988 4.740 -0.001 0.000 0.243 483 N C -1.136 174.408 175.510 0.056 0.000 0.987 483 N CA -0.369 52.701 53.050 0.033 0.000 0.940 483 N CB 1.110 39.621 38.487 0.040 0.000 1.122 483 N HN 0.588 nan 8.380 nan 0.000 0.509 484 I N 4.442 125.012 120.570 -0.001 0.000 2.355 484 I HA 0.325 4.494 4.170 -0.001 0.000 0.288 484 I C -0.899 175.196 176.117 -0.037 0.000 0.999 484 I CA -0.858 60.445 61.300 0.006 0.000 1.163 484 I CB 0.843 38.791 38.000 -0.086 0.000 1.316 484 I HN 0.362 nan 8.210 nan 0.000 0.454 485 I N 8.559 129.098 120.570 -0.052 0.000 2.363 485 I HA 0.101 4.271 4.170 -0.001 0.000 0.292 485 I C -0.090 175.930 176.117 -0.161 0.000 1.075 485 I CA 0.030 61.266 61.300 -0.106 0.000 1.333 485 I CB 1.043 38.935 38.000 -0.180 0.000 1.415 485 I HN 0.235 nan 8.210 nan 0.000 0.502 486 V N 5.959 125.789 119.914 -0.140 0.000 2.320 486 V HA 0.287 4.406 4.120 -0.001 0.000 0.265 486 V C 0.485 176.511 176.094 -0.113 0.000 1.048 486 V CA -0.568 61.607 62.300 -0.208 0.000 0.865 486 V CB 0.498 32.036 31.823 -0.475 0.000 1.043 486 V HN 0.821 nan 8.190 nan 0.000 0.474 487 T N 3.005 117.535 114.554 -0.040 0.000 2.821 487 T HA 0.448 4.798 4.350 -0.001 0.000 0.307 487 T C -2.291 172.497 174.700 0.148 0.000 1.034 487 T CA -2.205 59.948 62.100 0.089 0.000 0.953 487 T CB 1.776 70.689 68.868 0.075 0.000 0.968 487 T HN 0.383 nan 8.240 nan 0.000 0.462 488 P HA 0.192 nan 4.420 nan 0.000 0.253 488 P C 0.203 177.603 177.300 0.166 0.000 1.508 488 P CA -0.441 62.745 63.100 0.145 0.000 0.883 488 P CB -0.204 31.443 31.700 -0.089 0.000 1.519 489 K N 0.892 121.409 120.400 0.193 0.000 2.569 489 K HA -0.025 4.295 4.320 -0.001 0.000 0.280 489 K C 0.386 177.123 176.600 0.229 0.000 0.984 489 K CA 1.127 57.528 56.287 0.191 0.000 1.064 489 K CB -0.063 32.550 32.500 0.188 0.000 0.866 489 K HN 0.035 nan 8.250 nan 0.000 0.492 490 S N 0.818 116.633 115.700 0.190 0.000 1.225 490 S HA -0.105 4.365 4.470 -0.001 0.000 0.253 490 S C -2.550 172.128 174.600 0.130 0.000 0.574 490 S CA 0.218 58.540 58.200 0.203 0.000 0.983 490 S CB -1.923 61.522 63.200 0.409 0.000 0.918 490 S HN 0.791 nan 8.310 nan 0.000 0.490 491 P HA -0.071 nan 4.420 nan 0.000 0.258 491 P C 1.174 178.634 177.300 0.267 0.000 1.136 491 P CA 1.051 64.244 63.100 0.156 0.000 0.761 491 P CB -0.446 31.377 31.700 0.205 0.000 0.724 492 Y N 3.401 123.694 120.300 -0.012 0.000 2.215 492 Y HA -0.148 4.402 4.550 -0.001 0.000 0.282 492 Y C 0.624 176.527 175.900 0.005 0.000 1.207 492 Y CA 0.502 58.603 58.100 0.001 0.000 1.196 492 Y CB -0.198 38.260 38.460 -0.003 0.000 0.969 492 Y HN 0.148 nan 8.280 nan 0.000 0.528 493 I N 1.394 121.886 120.570 -0.129 0.000 2.913 493 I HA 0.041 4.210 4.170 -0.001 0.000 0.302 493 I C -0.540 175.518 176.117 -0.099 0.000 1.246 493 I CA -0.877 60.247 61.300 -0.294 0.000 1.010 493 I CB 2.026 39.640 38.000 -0.643 0.000 1.259 493 I HN 0.065 nan 8.210 nan 0.000 0.434 494 D N 3.414 123.753 120.400 -0.100 0.000 2.344 494 D HA -0.042 4.597 4.640 -0.001 0.000 0.242 494 D C 0.690 176.927 176.300 -0.105 0.000 1.159 494 D CA -0.064 53.886 54.000 -0.084 0.000 0.859 494 D CB 0.070 40.830 40.800 -0.067 0.000 0.925 494 D HN 0.151 nan 8.370 nan 0.000 0.510 495 K N 0.576 120.919 120.400 -0.094 0.000 2.643 495 K HA 0.065 4.385 4.320 -0.001 0.000 0.193 495 K C 0.236 176.772 176.600 -0.108 0.000 1.027 495 K CA -0.218 56.015 56.287 -0.091 0.000 1.033 495 K CB -0.851 31.606 32.500 -0.072 0.000 0.827 495 K HN 0.350 nan 8.250 nan 0.000 0.500 496 I N 0.585 121.064 120.570 -0.151 0.000 2.741 496 I HA -0.130 4.039 4.170 -0.001 0.000 0.288 496 I C 1.934 177.879 176.117 -0.286 0.000 1.192 496 I CA 0.509 61.674 61.300 -0.226 0.000 1.426 496 I CB 0.538 38.273 38.000 -0.442 0.000 1.367 496 I HN 0.005 nan 8.210 nan 0.000 0.563 497 T N 4.793 119.175 114.554 -0.287 0.000 2.925 497 T HA 0.077 4.427 4.350 -0.001 0.000 0.245 497 T C 0.564 174.918 174.700 -0.578 0.000 1.025 497 T CA 0.891 62.756 62.100 -0.392 0.000 1.149 497 T CB 0.043 68.730 68.868 -0.303 0.000 0.866 497 T HN 0.522 nan 8.240 nan 0.000 0.437 498 H N -0.300 118.676 119.070 -0.157 0.000 2.717 498 H HA 0.359 4.915 4.556 -0.001 0.000 0.366 498 H C -1.445 173.764 175.328 -0.199 0.000 1.132 498 H CA -0.826 55.133 56.048 -0.148 0.000 1.180 498 H CB 0.910 30.674 29.762 0.004 0.000 1.678 498 H HN 0.244 nan 8.280 nan 0.000 0.537 499 Y N 1.618 122.007 120.300 0.148 0.000 2.316 499 Y HA 0.170 4.719 4.550 -0.001 0.000 0.331 499 Y C 0.646 176.568 175.900 0.035 0.000 1.083 499 Y CA -0.355 57.810 58.100 0.108 0.000 1.206 499 Y CB 0.655 39.180 38.460 0.107 0.000 1.195 499 Y HN 0.401 nan 8.280 nan 0.000 0.497 500 N N 3.905 122.610 118.700 0.008 0.000 2.399 500 N HA 0.214 4.954 4.740 -0.001 0.000 0.280 500 N C -1.175 174.175 175.510 -0.267 0.000 1.008 500 N CA -0.677 52.195 53.050 -0.297 0.000 0.894 500 N CB 1.896 39.940 38.487 -0.739 0.000 1.273 500 N HN 0.628 nan 8.380 nan 0.000 0.486 501 Y N 0.343 120.599 120.300 -0.074 0.000 2.631 501 Y HA 0.872 5.421 4.550 -0.001 0.000 0.328 501 Y C -1.011 174.966 175.900 0.128 0.000 1.118 501 Y CA -1.403 56.711 58.100 0.025 0.000 1.206 501 Y CB 1.101 39.573 38.460 0.019 0.000 1.337 501 Y HN 0.285 nan 8.280 nan 0.000 0.515 502 L N 2.152 123.584 121.223 0.349 0.000 2.710 502 L HA 0.463 4.803 4.340 -0.001 0.000 0.262 502 L C -1.808 175.217 176.870 0.257 0.000 0.940 502 L CA -0.646 54.361 54.840 0.278 0.000 0.944 502 L CB 1.625 43.821 42.059 0.228 0.000 1.348 502 L HN 0.727 nan 8.230 nan 0.000 0.425 503 I N 5.600 126.347 120.570 0.295 0.000 2.354 503 I HA 0.381 4.551 4.170 -0.001 0.000 0.286 503 I C -0.594 175.632 176.117 0.181 0.000 1.007 503 I CA -0.684 60.734 61.300 0.196 0.000 1.167 503 I CB 1.263 39.364 38.000 0.168 0.000 1.320 503 I HN 0.361 nan 8.210 nan 0.000 0.458 504 L N 4.706 126.004 121.223 0.124 0.000 2.431 504 L HA 0.609 4.949 4.340 -0.001 0.000 0.260 504 L C 0.358 177.290 176.870 0.103 0.000 1.098 504 L CA -0.064 54.848 54.840 0.120 0.000 0.800 504 L CB 1.338 43.461 42.059 0.107 0.000 1.210 504 L HN 0.582 nan 8.230 nan 0.000 0.465 505 S N -0.234 115.531 115.700 0.108 0.000 2.582 505 S HA 0.362 4.831 4.470 -0.001 0.000 0.287 505 S C -0.943 173.724 174.600 0.111 0.000 1.146 505 S CA -0.825 57.434 58.200 0.100 0.000 0.941 505 S CB 0.376 63.632 63.200 0.093 0.000 1.115 505 S HN 0.580 nan 8.310 nan 0.000 0.458 506 K N 2.792 123.265 120.400 0.122 0.000 3.077 506 K HA -0.212 4.108 4.320 -0.001 0.000 0.264 506 K C 0.864 177.539 176.600 0.126 0.000 1.008 506 K CA 0.929 57.298 56.287 0.137 0.000 0.740 506 K CB -1.830 30.756 32.500 0.144 0.000 1.273 506 K HN 1.637 nan 8.250 nan 0.000 0.477 507 G N -0.202 108.665 108.800 0.111 0.000 2.162 507 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.260 507 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.260 507 G C -0.228 174.721 174.900 0.083 0.000 0.976 507 G CA 0.904 46.057 45.100 0.088 0.000 0.655 507 G HN 0.355 nan 8.290 nan 0.000 0.533 508 K N -0.003 120.453 120.400 0.093 0.000 2.471 508 K HA 0.555 4.875 4.320 -0.001 0.000 0.252 508 K C 0.391 177.051 176.600 0.100 0.000 0.938 508 K CA -1.058 55.283 56.287 0.090 0.000 0.796 508 K CB 1.983 34.533 32.500 0.083 0.000 1.161 508 K HN 0.215 nan 8.250 nan 0.000 0.425 509 I N 4.427 125.058 120.570 0.102 0.000 2.710 509 I HA -0.060 4.110 4.170 -0.001 0.000 0.286 509 I C 1.356 177.541 176.117 0.113 0.000 1.181 509 I CA 0.501 61.873 61.300 0.121 0.000 1.430 509 I CB 0.073 38.143 38.000 0.115 0.000 1.367 509 I HN 0.721 nan 8.210 nan 0.000 0.577 510 I N 1.186 121.841 120.570 0.142 0.000 4.730 510 I HA 0.316 4.485 4.170 -0.001 0.000 0.332 510 I C 0.295 176.323 176.117 -0.148 0.000 1.299 510 I CA -0.090 61.232 61.300 0.036 0.000 1.294 510 I CB 0.417 38.469 38.000 0.087 0.000 1.317 510 I HN 0.475 nan 8.210 nan 0.000 0.457 511 H N 1.662 120.878 119.070 0.243 0.000 2.961 511 H HA 0.650 5.206 4.556 -0.001 0.000 0.371 511 H C -1.678 173.875 175.328 0.374 0.000 1.190 511 H CA -0.402 55.796 56.048 0.249 0.000 1.138 511 H CB 2.864 32.724 29.762 0.163 0.000 1.816 511 H HN 0.161 nan 8.280 nan 0.000 0.551 512 F N -1.282 118.768 119.950 0.167 0.000 2.703 512 F HA 0.660 5.187 4.527 -0.001 0.000 0.308 512 F C -0.602 174.983 175.800 -0.359 0.000 1.126 512 F CA -0.602 57.308 58.000 -0.150 0.000 0.959 512 F CB 1.512 40.468 39.000 -0.072 0.000 1.297 512 F HN 0.798 nan 8.300 nan 0.000 0.441 513 G N 0.214 108.494 108.800 -0.866 0.000 2.430 513 G HA2 0.563 4.522 3.960 -0.001 0.000 0.300 513 G HA3 0.563 4.522 3.960 -0.001 0.000 0.300 513 G C -2.102 172.505 174.900 -0.489 0.000 1.330 513 G CA -0.821 43.919 45.100 -0.600 0.000 0.813 513 G HN 0.796 nan 8.290 nan 0.000 0.487 514 T N 1.152 115.616 114.554 -0.149 0.000 3.011 514 T HA 0.585 4.934 4.350 -0.001 0.000 0.303 514 T C -0.768 173.954 174.700 0.037 0.000 0.997 514 T CA -0.711 61.347 62.100 -0.070 0.000 1.007 514 T CB 1.474 70.238 68.868 -0.173 0.000 1.017 514 T HN 0.426 nan 8.240 nan 0.000 0.443 515 R N 3.089 123.680 120.500 0.152 0.000 2.338 515 R HA 0.332 4.672 4.340 -0.001 0.000 0.317 515 R C 0.162 176.562 176.300 0.167 0.000 0.968 515 R CA -0.991 55.199 56.100 0.149 0.000 0.849 515 R CB 0.981 31.395 30.300 0.189 0.000 1.128 515 R HN 0.657 nan 8.270 nan 0.000 0.448 516 E N 2.801 123.055 120.200 0.090 0.000 2.351 516 E HA 0.017 4.367 4.350 -0.001 0.000 0.266 516 E C -0.116 176.368 176.600 -0.193 0.000 1.031 516 E CA -0.266 56.178 56.400 0.073 0.000 0.911 516 E CB 0.903 30.604 29.700 0.001 0.000 0.986 516 E HN 0.097 nan 8.360 nan 0.000 0.446 517 K N 3.452 123.715 120.400 -0.229 0.000 2.451 517 K HA 0.037 4.356 4.320 -0.001 0.000 0.280 517 K C -0.759 175.716 176.600 -0.208 0.000 1.020 517 K CA -0.262 55.861 56.287 -0.273 0.000 1.008 517 K CB 0.048 32.221 32.500 -0.546 0.000 0.917 517 K HN 0.366 nan 8.250 nan 0.000 0.478 518 F N 3.008 122.981 119.950 0.040 0.000 2.494 518 F HA -0.014 4.513 4.527 -0.001 0.000 0.369 518 F C 1.858 177.638 175.800 -0.032 0.000 1.098 518 F CA 0.392 58.396 58.000 0.006 0.000 1.154 518 F CB 0.405 39.412 39.000 0.012 0.000 1.103 518 F HN 0.594 nan 8.300 nan 0.000 0.549 519 S N 1.805 117.574 115.700 0.115 0.000 2.378 519 S HA -0.319 4.151 4.470 -0.001 0.000 0.229 519 S C 1.764 176.384 174.600 0.033 0.000 1.052 519 S CA 1.963 60.184 58.200 0.035 0.000 1.084 519 S CB -0.379 62.836 63.200 0.026 0.000 0.950 519 S HN 0.820 nan 8.310 nan 0.000 0.440 520 D N 2.889 123.319 120.400 0.050 0.000 2.087 520 D HA 0.098 4.738 4.640 -0.001 0.000 0.203 520 D C 1.094 177.386 176.300 -0.014 0.000 0.976 520 D CA 1.126 55.129 54.000 0.006 0.000 0.865 520 D CB -1.160 39.633 40.800 -0.011 0.000 1.005 520 D HN 0.442 nan 8.370 nan 0.000 0.449 521 A N 0.095 122.893 122.820 -0.038 0.000 2.327 521 A HA 0.404 4.724 4.320 -0.001 0.000 0.255 521 A C 1.545 179.086 177.584 -0.072 0.000 1.099 521 A CA 0.232 52.206 52.037 -0.106 0.000 0.801 521 A CB 0.473 19.336 19.000 -0.228 0.000 1.062 521 A HN 0.310 nan 8.150 nan 0.000 0.496 522 S N -0.662 114.960 115.700 -0.130 0.000 2.354 522 S HA 0.072 4.542 4.470 -0.001 0.000 0.200 522 S C 0.601 175.227 174.600 0.043 0.000 1.055 522 S CA 1.488 59.679 58.200 -0.015 0.000 1.077 522 S CB -0.881 62.358 63.200 0.065 0.000 0.992 522 S HN 0.789 nan 8.310 nan 0.000 0.423 523 Y N 2.866 123.200 120.300 0.057 0.000 2.301 523 Y HA 0.626 5.176 4.550 -0.001 0.000 0.328 523 Y C 0.100 176.029 175.900 0.049 0.000 1.242 523 Y CA -1.104 57.009 58.100 0.023 0.000 1.323 523 Y CB 0.271 38.718 38.460 -0.022 0.000 1.266 523 Y HN 0.458 nan 8.280 nan 0.000 0.527 524 Q N 0.535 120.448 119.800 0.189 0.000 2.565 524 Q HA 0.690 5.030 4.340 -0.001 0.000 0.294 524 Q C -1.583 174.491 176.000 0.123 0.000 1.005 524 Q CA -1.056 54.861 55.803 0.190 0.000 0.771 524 Q CB 1.915 30.885 28.738 0.386 0.000 1.486 524 Q HN 0.722 nan 8.270 nan 0.000 0.422 525 S N 0.444 116.217 115.700 0.122 0.000 2.608 525 S HA 0.648 5.117 4.470 -0.001 0.000 0.291 525 S C -0.303 174.320 174.600 0.038 0.000 1.146 525 S CA -0.671 57.562 58.200 0.055 0.000 1.043 525 S CB 0.606 63.836 63.200 0.051 0.000 1.037 525 S HN 0.449 nan 8.310 nan 0.000 0.520 526 I N 2.511 123.067 120.570 -0.024 0.000 2.436 526 I HA 0.340 4.510 4.170 -0.001 0.000 0.289 526 I C -0.440 175.625 176.117 -0.087 0.000 1.010 526 I CA -0.669 60.596 61.300 -0.058 0.000 1.098 526 I CB 1.604 39.529 38.000 -0.125 0.000 1.266 526 I HN 0.445 nan 8.210 nan 0.000 0.434 527 N N 7.537 126.196 118.700 -0.068 0.000 2.485 527 N HA 0.401 5.140 4.740 -0.001 0.000 0.243 527 N C -1.210 174.243 175.510 -0.094 0.000 0.987 527 N CA -0.404 52.616 53.050 -0.050 0.000 0.940 527 N CB 0.874 39.360 38.487 -0.002 0.000 1.122 527 N HN 0.419 nan 8.380 nan 0.000 0.509 528 I N 4.668 125.149 120.570 -0.149 0.000 2.330 528 I HA 0.352 4.522 4.170 -0.001 0.000 0.286 528 I C -2.142 173.868 176.117 -0.178 0.000 1.025 528 I CA -2.215 58.956 61.300 -0.216 0.000 1.197 528 I CB 1.299 39.098 38.000 -0.334 0.000 1.358 528 I HN 0.257 nan 8.210 nan 0.000 0.467 529 P HA -0.021 nan 4.420 nan 0.000 0.264 529 P C -0.013 177.094 177.300 -0.321 0.000 1.229 529 P CA -0.044 62.864 63.100 -0.321 0.000 0.780 529 P CB 0.515 32.088 31.700 -0.211 0.000 0.808 530 V N 4.904 124.623 119.914 -0.325 0.000 2.450 530 V HA 0.055 4.175 4.120 -0.001 0.000 0.281 530 V C 0.367 176.335 176.094 -0.212 0.000 1.019 530 V CA 0.906 63.051 62.300 -0.259 0.000 1.062 530 V CB -0.065 31.623 31.823 -0.225 0.000 0.979 530 V HN 0.512 nan 8.190 nan 0.000 0.477 531 T N 4.343 118.787 114.554 -0.182 0.000 2.945 531 T HA 0.272 4.621 4.350 -0.001 0.000 0.286 531 T C 0.697 175.369 174.700 -0.047 0.000 1.025 531 T CA -0.140 61.900 62.100 -0.101 0.000 1.039 531 T CB 1.822 70.653 68.868 -0.061 0.000 1.068 531 T HN 0.872 nan 8.240 nan 0.000 0.497 532 Q N 1.830 121.622 119.800 -0.012 0.000 2.443 532 Q HA -0.084 4.255 4.340 -0.001 0.000 0.213 532 Q C 1.335 177.359 176.000 0.039 0.000 0.982 532 Q CA 1.787 57.596 55.803 0.010 0.000 0.894 532 Q CB -0.245 28.505 28.738 0.020 0.000 0.947 532 Q HN 0.576 nan 8.270 nan 0.000 0.480 533 N N -0.662 118.078 118.700 0.067 0.000 2.512 533 N HA -0.065 4.675 4.740 -0.001 0.000 0.183 533 N C 0.632 176.191 175.510 0.081 0.000 1.073 533 N CA 1.058 54.170 53.050 0.103 0.000 0.911 533 N CB -0.020 38.585 38.487 0.197 0.000 0.964 533 N HN 0.499 nan 8.380 nan 0.000 0.447 534 M N -0.365 119.252 119.600 0.027 0.000 2.333 534 M HA 0.131 4.610 4.480 -0.001 0.000 0.257 534 M C 1.569 177.845 176.300 -0.039 0.000 1.078 534 M CA -0.081 55.209 55.300 -0.017 0.000 1.005 534 M CB 0.304 32.851 32.600 -0.088 0.000 1.444 534 M HN -0.146 nan 8.290 nan 0.000 0.496 535 V N -0.500 119.409 119.914 -0.008 0.000 2.236 535 V HA -0.219 3.900 4.120 -0.001 0.000 0.255 535 V C -0.589 175.446 176.094 -0.098 0.000 1.068 535 V CA 1.899 64.182 62.300 -0.029 0.000 1.044 535 V CB -2.766 29.089 31.823 0.055 0.000 0.653 535 V HN 0.271 nan 8.190 nan 0.000 0.448 536 P HA 0.065 nan 4.420 nan 0.000 0.215 536 P C 0.815 178.051 177.300 -0.107 0.000 1.157 536 P CA 2.091 65.131 63.100 -0.099 0.000 0.863 536 P CB 0.028 31.838 31.700 0.183 0.000 0.787 537 S N -3.855 111.811 115.700 -0.056 0.000 2.688 537 S HA 0.524 4.994 4.470 -0.001 0.000 0.269 537 S C -1.713 172.822 174.600 -0.109 0.000 1.060 537 S CA -0.561 57.554 58.200 -0.141 0.000 0.844 537 S CB 0.155 63.355 63.200 -0.001 0.000 1.095 537 S HN -0.074 nan 8.310 nan 0.000 0.466 538 S N 0.452 116.008 115.700 -0.240 0.000 2.615 538 S HA 0.699 5.168 4.470 -0.001 0.000 0.269 538 S C -1.768 172.735 174.600 -0.161 0.000 1.161 538 S CA -1.066 57.054 58.200 -0.133 0.000 0.817 538 S CB 1.682 64.801 63.200 -0.136 0.000 1.131 538 S HN 0.752 nan 8.310 nan 0.000 0.467 539 R N 0.740 121.221 120.500 -0.033 0.000 2.628 539 R HA 0.664 5.004 4.340 -0.001 0.000 0.288 539 R C -1.574 174.717 176.300 -0.015 0.000 0.980 539 R CA -0.867 55.233 56.100 0.000 0.000 0.891 539 R CB 1.426 31.800 30.300 0.123 0.000 1.188 539 R HN 0.498 nan 8.270 nan 0.000 0.450 540 L N 1.473 122.663 121.223 -0.055 0.000 2.329 540 L HA 0.686 5.025 4.340 -0.001 0.000 0.279 540 L C -1.254 175.621 176.870 0.009 0.000 1.014 540 L CA -0.756 54.069 54.840 -0.024 0.000 0.814 540 L CB 1.564 43.560 42.059 -0.104 0.000 1.257 540 L HN 0.614 nan 8.230 nan 0.000 0.424 541 L N 4.581 125.829 121.223 0.043 0.000 2.346 541 L HA 0.868 5.207 4.340 -0.001 0.000 0.276 541 L C -1.286 175.651 176.870 0.112 0.000 1.006 541 L CA -0.372 54.474 54.840 0.009 0.000 0.817 541 L CB 2.113 44.072 42.059 -0.166 0.000 1.272 541 L HN 0.541 nan 8.230 nan 0.000 0.421 542 V N 5.759 125.753 119.914 0.134 0.000 2.482 542 V HA 0.486 4.605 4.120 -0.001 0.000 0.295 542 V C -1.178 175.084 176.094 0.280 0.000 1.026 542 V CA -0.391 62.029 62.300 0.199 0.000 0.856 542 V CB 1.354 33.271 31.823 0.157 0.000 1.001 542 V HN 0.764 nan 8.190 nan 0.000 0.424 543 Y N 4.698 125.108 120.300 0.184 0.000 2.536 543 Y HA 0.898 5.448 4.550 -0.001 0.000 0.347 543 Y C -0.966 175.099 175.900 0.275 0.000 1.000 543 Y CA -1.850 56.350 58.100 0.165 0.000 1.051 543 Y CB 1.552 40.094 38.460 0.136 0.000 1.259 543 Y HN 0.663 nan 8.280 nan 0.000 0.468 544 Y N 0.685 121.158 120.300 0.288 0.000 2.512 544 Y HA 0.810 5.359 4.550 -0.001 0.000 0.348 544 Y C -1.352 174.650 175.900 0.170 0.000 0.990 544 Y CA -2.307 55.885 58.100 0.154 0.000 1.033 544 Y CB 1.364 39.891 38.460 0.112 0.000 1.259 544 Y HN 0.624 nan 8.280 nan 0.000 0.461 545 I N 3.704 124.393 120.570 0.199 0.000 2.331 545 I HA 0.417 4.587 4.170 -0.001 0.000 0.292 545 I C -0.802 175.378 176.117 0.106 0.000 0.998 545 I CA -1.166 60.182 61.300 0.081 0.000 1.267 545 I CB 1.432 39.440 38.000 0.013 0.000 1.386 545 I HN 0.458 nan 8.210 nan 0.000 0.476 546 V N 5.338 125.305 119.914 0.087 0.000 2.357 546 V HA 0.161 4.281 4.120 -0.001 0.000 0.284 546 V C 0.353 176.491 176.094 0.074 0.000 1.018 546 V CA -0.359 62.026 62.300 0.140 0.000 0.841 546 V CB 1.802 33.756 31.823 0.218 0.000 0.991 546 V HN 0.753 nan 8.190 nan 0.000 0.437 547 T N 4.983 119.577 114.554 0.067 0.000 3.182 547 T HA 0.082 4.431 4.350 -0.001 0.000 0.274 547 T C 1.260 176.040 174.700 0.134 0.000 0.997 547 T CA 0.323 62.457 62.100 0.058 0.000 1.082 547 T CB 0.290 69.175 68.868 0.029 0.000 1.005 547 T HN 0.879 nan 8.240 nan 0.000 0.688 548 G N 2.949 111.794 108.800 0.076 0.000 3.186 548 G HA2 0.100 4.060 3.960 -0.001 0.000 0.214 548 G HA3 0.100 4.060 3.960 -0.001 0.000 0.214 548 G C 0.715 175.648 174.900 0.055 0.000 1.222 548 G CA -0.428 44.681 45.100 0.015 0.000 0.921 548 G HN 0.919 nan 8.290 nan 0.000 0.504 549 E N -1.308 118.963 120.200 0.118 0.000 2.551 549 E HA -0.366 3.983 4.350 -0.001 0.000 0.251 549 E C 0.934 177.562 176.600 0.046 0.000 1.210 549 E CA 1.828 58.284 56.400 0.094 0.000 0.725 549 E CB -2.130 27.658 29.700 0.147 0.000 1.290 549 E HN 0.767 nan 8.360 nan 0.000 0.413 550 Q N -3.752 116.057 119.800 0.015 0.000 1.812 550 Q HA 0.253 4.592 4.340 -0.001 0.000 0.196 550 Q C -0.314 175.681 176.000 -0.008 0.000 0.679 550 Q CA 0.462 56.265 55.803 -0.000 0.000 0.793 550 Q CB 0.914 29.643 28.738 -0.014 0.000 1.215 550 Q HN 0.154 nan 8.270 nan 0.000 0.412 551 T N 0.804 115.350 114.554 -0.014 0.000 4.349 551 T HA 0.590 4.939 4.350 -0.001 0.000 0.404 551 T C -1.128 173.562 174.700 -0.018 0.000 0.993 551 T CA -0.245 61.846 62.100 -0.015 0.000 1.025 551 T CB 1.078 69.935 68.868 -0.018 0.000 1.219 551 T HN 0.558 nan 8.240 nan 0.000 0.451 552 A N 3.217 126.028 122.820 -0.014 0.000 2.587 552 A HA 0.338 4.658 4.320 -0.001 0.000 0.235 552 A C 0.400 177.974 177.584 -0.017 0.000 1.044 552 A CA 0.557 52.585 52.037 -0.015 0.000 0.754 552 A CB 0.181 19.164 19.000 -0.028 0.000 0.968 552 A HN 0.720 nan 8.150 nan 0.000 0.509 553 E N 1.644 121.835 120.200 -0.016 0.000 2.171 553 E HA 0.411 4.760 4.350 -0.001 0.000 0.271 553 E C -0.982 175.598 176.600 -0.033 0.000 0.916 553 E CA -0.521 55.865 56.400 -0.023 0.000 0.774 553 E CB 1.405 31.085 29.700 -0.034 0.000 1.128 553 E HN 0.629 nan 8.360 nan 0.000 0.403 554 L N 3.501 124.704 121.223 -0.033 0.000 2.276 554 L HA 0.370 4.710 4.340 -0.001 0.000 0.286 554 L C -0.632 176.203 176.870 -0.058 0.000 1.061 554 L CA -0.570 54.235 54.840 -0.058 0.000 0.807 554 L CB 1.208 43.185 42.059 -0.137 0.000 1.177 554 L HN 0.231 nan 8.230 nan 0.000 0.429 555 V N 2.943 122.771 119.914 -0.142 0.000 2.525 555 V HA 0.504 4.624 4.120 -0.001 0.000 0.299 555 V C -0.289 175.753 176.094 -0.087 0.000 1.034 555 V CA -0.350 61.841 62.300 -0.182 0.000 0.863 555 V CB 2.024 33.504 31.823 -0.571 0.000 0.999 555 V HN 0.932 nan 8.190 nan 0.000 0.423 556 S N 2.833 118.624 115.700 0.151 0.000 2.685 556 S HA 0.905 5.375 4.470 -0.001 0.000 0.282 556 S C -1.330 173.414 174.600 0.239 0.000 1.159 556 S CA -0.761 57.564 58.200 0.208 0.000 0.833 556 S CB 2.832 66.141 63.200 0.181 0.000 1.151 556 S HN 0.632 nan 8.310 nan 0.000 0.485 557 D N -0.823 119.698 120.400 0.201 0.000 2.626 557 D HA 0.773 5.413 4.640 -0.001 0.000 0.278 557 D C -1.149 175.243 176.300 0.153 0.000 1.211 557 D CA -0.019 54.113 54.000 0.220 0.000 0.903 557 D CB 2.248 43.200 40.800 0.255 0.000 1.408 557 D HN 0.911 nan 8.370 nan 0.000 0.454 558 S N -0.923 114.883 115.700 0.177 0.000 2.656 558 S HA 0.818 5.287 4.470 -0.001 0.000 0.273 558 S C -1.277 173.426 174.600 0.171 0.000 1.168 558 S CA -0.565 57.714 58.200 0.131 0.000 0.817 558 S CB 1.244 64.504 63.200 0.100 0.000 1.146 558 S HN 1.073 nan 8.310 nan 0.000 0.475 559 V N -2.675 117.311 119.914 0.120 0.000 2.852 559 V HA 0.674 4.794 4.120 -0.001 0.000 0.300 559 V C -1.423 174.731 176.094 0.101 0.000 1.205 559 V CA -0.939 61.446 62.300 0.141 0.000 0.940 559 V CB 0.922 32.768 31.823 0.038 0.000 1.047 559 V HN 1.184 nan 8.190 nan 0.000 0.429 560 W N 5.679 126.996 121.300 0.028 0.000 2.345 560 W HA 0.723 5.383 4.660 -0.001 0.000 0.308 560 W C -0.685 175.805 176.519 -0.048 0.000 1.273 560 W CA -0.928 56.419 57.345 0.002 0.000 1.243 560 W CB 1.095 30.586 29.460 0.052 0.000 1.260 560 W HN 0.677 nan 8.180 nan 0.000 0.509 561 L N 7.694 128.442 121.223 -0.791 0.000 2.314 561 L HA 0.141 4.481 4.340 -0.001 0.000 0.275 561 L C 0.437 176.650 176.870 -1.096 0.000 1.068 561 L CA -0.746 53.599 54.840 -0.824 0.000 0.894 561 L CB -0.104 41.574 42.059 -0.634 0.000 1.275 561 L HN 0.452 nan 8.230 nan 0.000 0.432 562 N N 4.475 122.388 118.700 -1.311 0.000 2.468 562 N HA 0.255 4.994 4.740 -0.001 0.000 0.265 562 N C -0.639 174.589 175.510 -0.471 0.000 1.199 562 N CA 0.176 52.635 53.050 -0.985 0.000 0.928 562 N CB 0.772 38.892 38.487 -0.611 0.000 1.059 562 N HN 0.587 nan 8.380 nan 0.000 0.467 563 I N -0.384 119.969 120.570 -0.361 0.000 3.145 563 I HA 0.498 4.668 4.170 -0.001 0.000 0.313 563 I C -0.166 175.822 176.117 -0.215 0.000 1.122 563 I CA -1.121 60.023 61.300 -0.261 0.000 0.987 563 I CB 1.839 39.690 38.000 -0.248 0.000 1.236 563 I HN 0.555 nan 8.210 nan 0.000 0.453 564 E N 2.319 122.417 120.200 -0.171 0.000 2.481 564 E HA 0.004 4.354 4.350 -0.001 0.000 0.263 564 E C -0.912 175.560 176.600 -0.213 0.000 0.992 564 E CA -0.068 56.244 56.400 -0.147 0.000 0.938 564 E CB 0.374 30.025 29.700 -0.083 0.000 0.933 564 E HN 0.567 nan 8.360 nan 0.000 0.453 565 E N 2.788 122.827 120.200 -0.267 0.000 1.856 565 E HA 0.038 4.388 4.350 -0.001 0.000 0.263 565 E C -0.594 175.924 176.600 -0.137 0.000 1.137 565 E CA -0.177 55.943 56.400 -0.467 0.000 1.007 565 E CB 0.393 29.709 29.700 -0.641 0.000 1.117 565 E HN 0.317 nan 8.360 nan 0.000 0.438 566 K N 2.731 123.107 120.400 -0.041 0.000 2.265 566 K HA 0.233 4.552 4.320 -0.001 0.000 0.267 566 K C -0.519 176.174 176.600 0.156 0.000 0.994 566 K CA -0.645 55.676 56.287 0.057 0.000 0.860 566 K CB 0.746 33.255 32.500 0.016 0.000 1.099 566 K HN 0.354 nan 8.250 nan 0.000 0.448 567 c N 3.066 121.759 118.600 0.155 0.000 2.727 567 c HA 0.111 4.681 4.570 -0.001 0.000 0.401 567 c C 2.072 176.202 174.090 0.067 0.000 1.294 567 c CA -0.099 56.299 56.329 0.114 0.000 2.134 567 c CB 0.460 42.996 42.510 0.043 0.000 2.724 567 c HN 1.103 nan 8.230 nan 0.000 0.677 568 G N 0.866 109.693 108.800 0.045 0.000 2.408 568 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.215 568 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.215 568 G C 0.389 175.298 174.900 0.015 0.000 1.156 568 G CA 0.562 45.681 45.100 0.032 0.000 0.793 568 G HN 0.705 nan 8.290 nan 0.000 0.535 569 N N 0.772 119.473 118.700 0.002 0.000 2.569 569 N HA 0.349 5.088 4.740 -0.001 0.000 0.254 569 N C -0.969 174.532 175.510 -0.015 0.000 1.004 569 N CA -0.334 52.711 53.050 -0.008 0.000 0.904 569 N CB 1.490 39.967 38.487 -0.015 0.000 1.165 569 N HN -0.013 nan 8.380 nan 0.000 0.513 570 Q N 1.494 121.290 119.800 -0.007 0.000 2.388 570 Q HA 0.088 4.428 4.340 -0.001 0.000 0.246 570 Q C -0.285 175.702 176.000 -0.022 0.000 1.246 570 Q CA 0.014 55.812 55.803 -0.008 0.000 0.895 570 Q CB -0.022 28.718 28.738 0.004 0.000 1.510 570 Q HN 0.419 nan 8.270 nan 0.000 0.503 571 L N 2.592 123.792 121.223 -0.039 0.000 2.331 571 L HA 0.423 4.762 4.340 -0.001 0.000 0.278 571 L C -0.907 175.922 176.870 -0.067 0.000 1.106 571 L CA 0.078 54.886 54.840 -0.054 0.000 0.824 571 L CB 1.133 43.150 42.059 -0.070 0.000 1.142 571 L HN 0.424 nan 8.230 nan 0.000 0.443 572 Q N 3.625 123.378 119.800 -0.078 0.000 2.263 572 Q HA 0.543 4.882 4.340 -0.001 0.000 0.262 572 Q C -1.662 174.210 176.000 -0.213 0.000 0.984 572 Q CA -0.529 55.190 55.803 -0.141 0.000 0.813 572 Q CB 1.911 30.598 28.738 -0.085 0.000 1.299 572 Q HN 0.612 nan 8.270 nan 0.000 0.428 573 V N 1.011 120.739 119.914 -0.311 0.000 2.612 573 V HA 0.814 4.933 4.120 -0.001 0.000 0.301 573 V C -0.710 175.094 176.094 -0.482 0.000 1.046 573 V CA -0.345 61.797 62.300 -0.263 0.000 0.946 573 V CB 1.885 33.624 31.823 -0.139 0.000 1.003 573 V HN 0.818 nan 8.190 nan 0.000 0.459 574 H N 2.989 122.081 119.070 0.036 0.000 2.930 574 H HA 0.570 5.126 4.556 -0.001 0.000 0.371 574 H C -0.943 174.429 175.328 0.074 0.000 1.169 574 H CA -0.609 55.471 56.048 0.054 0.000 1.157 574 H CB 2.196 31.985 29.762 0.046 0.000 1.789 574 H HN 0.656 nan 8.280 nan 0.000 0.547 575 L N 0.888 122.254 121.223 0.237 0.000 2.399 575 L HA 0.183 4.522 4.340 -0.001 0.000 0.266 575 L C 1.489 178.469 176.870 0.183 0.000 1.114 575 L CA -0.257 54.701 54.840 0.196 0.000 0.804 575 L CB 1.080 43.279 42.059 0.232 0.000 1.146 575 L HN 0.587 nan 8.230 nan 0.000 0.451 576 S N 1.190 116.980 115.700 0.151 0.000 2.354 576 S HA -0.052 4.418 4.470 -0.001 0.000 0.219 576 S C -1.671 172.992 174.600 0.104 0.000 1.035 576 S CA 1.099 59.366 58.200 0.112 0.000 1.037 576 S CB -0.856 62.396 63.200 0.087 0.000 0.956 576 S HN 0.582 nan 8.310 nan 0.000 0.428 577 P HA 0.319 nan 4.420 nan 0.000 0.288 577 P C -0.558 176.781 177.300 0.065 0.000 1.363 577 P CA -0.164 62.970 63.100 0.058 0.000 0.837 577 P CB 0.707 32.408 31.700 0.002 0.000 0.981 578 D N 2.809 123.236 120.400 0.044 0.000 2.403 578 D HA -0.057 4.583 4.640 -0.001 0.000 0.227 578 D C 0.528 176.836 176.300 0.014 0.000 0.995 578 D CA 0.211 54.247 54.000 0.061 0.000 0.928 578 D CB -0.149 40.666 40.800 0.025 0.000 0.887 578 D HN 0.394 nan 8.370 nan 0.000 0.529 579 A N 0.787 123.548 122.820 -0.099 0.000 2.609 579 A HA -0.067 4.252 4.320 -0.001 0.000 0.232 579 A C 1.144 178.638 177.584 -0.151 0.000 1.041 579 A CA 0.535 52.462 52.037 -0.183 0.000 0.753 579 A CB 0.213 19.012 19.000 -0.335 0.000 0.966 579 A HN 0.285 nan 8.150 nan 0.000 0.510 580 D N 0.772 121.141 120.400 -0.052 0.000 2.323 580 D HA 0.299 4.939 4.640 -0.001 0.000 0.209 580 D C 0.617 176.961 176.300 0.074 0.000 0.973 580 D CA 0.938 54.965 54.000 0.045 0.000 0.874 580 D CB -0.130 40.699 40.800 0.048 0.000 0.930 580 D HN 0.664 nan 8.370 nan 0.000 0.521 581 A N -0.898 121.910 122.820 -0.020 0.000 2.356 581 A HA 0.666 4.986 4.320 -0.001 0.000 0.323 581 A C -1.409 176.123 177.584 -0.087 0.000 1.119 581 A CA -0.707 51.368 52.037 0.064 0.000 0.790 581 A CB 1.210 20.269 19.000 0.097 0.000 1.273 581 A HN 0.104 nan 8.150 nan 0.000 0.452 582 Y N -0.122 120.262 120.300 0.139 0.000 2.605 582 Y HA 0.521 5.071 4.550 -0.001 0.000 0.343 582 Y C 0.605 176.566 175.900 0.102 0.000 1.036 582 Y CA -0.364 57.806 58.100 0.116 0.000 1.065 582 Y CB 2.436 40.978 38.460 0.138 0.000 1.288 582 Y HN 0.741 nan 8.280 nan 0.000 0.481 583 S N 1.068 116.916 115.700 0.248 0.000 2.541 583 S HA 0.402 4.872 4.470 -0.001 0.000 0.283 583 S C -2.810 171.863 174.600 0.122 0.000 1.196 583 S CA -1.811 56.466 58.200 0.129 0.000 1.062 583 S CB 1.501 64.746 63.200 0.075 0.000 1.009 583 S HN 0.321 nan 8.310 nan 0.000 0.502 584 P HA 0.264 nan 4.420 nan 0.000 0.246 584 P C 0.773 178.086 177.300 0.020 0.000 1.675 584 P CA 0.314 63.442 63.100 0.046 0.000 0.908 584 P CB -0.419 31.273 31.700 -0.013 0.000 1.890 585 G N -0.836 107.979 108.800 0.026 0.000 4.226 585 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.220 585 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.220 585 G C -0.004 174.895 174.900 -0.001 0.000 0.817 585 G CA -0.417 44.681 45.100 -0.003 0.000 0.879 585 G HN 0.403 nan 8.290 nan 0.000 0.669 586 Q N 2.424 122.242 119.800 0.031 0.000 2.330 586 Q HA 0.405 4.745 4.340 -0.001 0.000 0.279 586 Q C 0.647 176.640 176.000 -0.012 0.000 1.024 586 Q CA 0.647 56.471 55.803 0.036 0.000 0.900 586 Q CB 0.444 29.242 28.738 0.101 0.000 1.221 586 Q HN 0.360 nan 8.270 nan 0.000 0.396 587 T N 0.578 115.120 114.554 -0.019 0.000 2.907 587 T HA 0.495 4.845 4.350 -0.001 0.000 0.298 587 T C -0.209 174.454 174.700 -0.062 0.000 1.017 587 T CA -0.766 61.299 62.100 -0.058 0.000 1.118 587 T CB 1.540 70.400 68.868 -0.013 0.000 0.948 587 T HN 0.485 nan 8.240 nan 0.000 0.531 588 V N 1.176 120.990 119.914 -0.167 0.000 3.000 588 V HA 0.601 4.721 4.120 -0.001 0.000 0.300 588 V C -0.978 175.023 176.094 -0.155 0.000 1.251 588 V CA -0.734 61.493 62.300 -0.121 0.000 0.972 588 V CB 2.436 34.211 31.823 -0.080 0.000 1.065 588 V HN 1.158 nan 8.190 nan 0.000 0.431 589 S N 5.895 121.600 115.700 0.008 0.000 2.508 589 S HA 0.747 5.216 4.470 -0.001 0.000 0.284 589 S C -0.530 174.156 174.600 0.143 0.000 1.192 589 S CA -0.402 57.861 58.200 0.105 0.000 1.070 589 S CB 1.380 64.637 63.200 0.095 0.000 1.004 589 S HN 0.917 nan 8.310 nan 0.000 0.493 590 L N 3.000 124.373 121.223 0.251 0.000 2.334 590 L HA 0.583 4.922 4.340 -0.001 0.000 0.275 590 L C -0.738 176.196 176.870 0.107 0.000 1.036 590 L CA -0.152 54.811 54.840 0.205 0.000 0.807 590 L CB 1.025 43.259 42.059 0.290 0.000 1.231 590 L HN 0.504 nan 8.230 nan 0.000 0.438 591 N N 4.210 122.960 118.700 0.083 0.000 2.504 591 N HA 0.374 5.113 4.740 -0.001 0.000 0.280 591 N C -0.981 174.540 175.510 0.018 0.000 1.052 591 N CA -0.456 52.626 53.050 0.054 0.000 0.887 591 N CB 1.703 40.244 38.487 0.091 0.000 1.323 591 N HN 0.553 nan 8.380 nan 0.000 0.509 592 M N 1.577 121.165 119.600 -0.019 0.000 2.228 592 M HA 0.540 5.020 4.480 -0.001 0.000 0.326 592 M C 0.248 176.539 176.300 -0.015 0.000 1.122 592 M CA -0.057 55.221 55.300 -0.035 0.000 1.161 592 M CB 0.985 33.554 32.600 -0.053 0.000 1.437 592 M HN 0.599 nan 8.290 nan 0.000 0.465 593 A N 0.814 123.621 122.820 -0.023 0.000 2.549 593 A HA 0.918 5.237 4.320 -0.001 0.000 0.297 593 A C -1.239 176.333 177.584 -0.021 0.000 1.061 593 A CA -0.614 51.418 52.037 -0.007 0.000 0.690 593 A CB 1.372 20.384 19.000 0.020 0.000 1.287 593 A HN 0.711 nan 8.150 nan 0.000 0.402 594 T N 0.135 114.678 114.554 -0.017 0.000 3.159 594 T HA 0.478 4.828 4.350 -0.001 0.000 0.343 594 T C 0.580 175.269 174.700 -0.017 0.000 1.364 594 T CA -0.048 62.038 62.100 -0.023 0.000 1.102 594 T CB 1.463 70.308 68.868 -0.039 0.000 1.263 594 T HN 1.381 nan 8.240 nan 0.000 0.477 595 G N 1.194 109.986 108.800 -0.013 0.000 3.061 595 G HA2 0.427 4.387 3.960 -0.001 0.000 0.208 595 G HA3 0.427 4.387 3.960 -0.001 0.000 0.208 595 G C 0.037 174.929 174.900 -0.014 0.000 1.175 595 G CA 0.239 45.334 45.100 -0.008 0.000 0.812 595 G HN 0.735 nan 8.290 nan 0.000 0.523 596 M N -0.316 119.269 119.600 -0.024 0.000 2.813 596 M HA 0.106 4.586 4.480 -0.001 0.000 0.266 596 M C -1.813 174.455 176.300 -0.054 0.000 0.943 596 M CA -0.814 54.466 55.300 -0.032 0.000 0.821 596 M CB 1.111 33.698 32.600 -0.021 0.000 1.732 596 M HN -0.106 nan 8.290 nan 0.000 0.571 597 D N 2.675 123.031 120.400 -0.073 0.000 2.667 597 D HA 0.176 4.816 4.640 -0.001 0.000 0.226 597 D C -0.586 175.628 176.300 -0.143 0.000 1.137 597 D CA 1.156 55.082 54.000 -0.124 0.000 0.855 597 D CB 0.724 41.442 40.800 -0.137 0.000 1.194 597 D HN 0.557 nan 8.370 nan 0.000 0.492 598 S N 0.835 116.408 115.700 -0.212 0.000 2.578 598 S HA 0.399 4.869 4.470 -0.001 0.000 0.272 598 S C -1.790 172.656 174.600 -0.257 0.000 1.145 598 S CA -0.874 57.218 58.200 -0.181 0.000 0.835 598 S CB 0.433 63.594 63.200 -0.065 0.000 1.104 598 S HN 0.418 nan 8.310 nan 0.000 0.458 599 W N 1.718 123.016 121.300 -0.004 0.000 2.375 599 W HA 0.689 5.349 4.660 -0.001 0.000 0.336 599 W C -0.327 176.180 176.519 -0.020 0.000 1.160 599 W CA -0.385 56.960 57.345 -0.001 0.000 1.266 599 W CB 1.370 30.836 29.460 0.009 0.000 1.195 599 W HN 0.520 nan 8.180 nan 0.000 0.599 600 V N 1.150 121.246 119.914 0.302 0.000 3.130 600 V HA 0.850 4.970 4.120 -0.001 0.000 0.310 600 V C -0.712 175.445 176.094 0.106 0.000 1.158 600 V CA -1.481 60.898 62.300 0.131 0.000 1.029 600 V CB 1.743 33.616 31.823 0.084 0.000 1.057 600 V HN 0.592 nan 8.190 nan 0.000 0.436 601 A N 2.878 125.707 122.820 0.014 0.000 2.745 601 A HA 0.725 5.045 4.320 -0.001 0.000 0.301 601 A C -0.807 176.711 177.584 -0.112 0.000 1.188 601 A CA -0.365 51.646 52.037 -0.044 0.000 0.746 601 A CB 0.275 19.300 19.000 0.041 0.000 1.207 601 A HN 0.736 nan 8.150 nan 0.000 0.432 602 L N 1.105 122.264 121.223 -0.107 0.000 2.472 602 L HA 0.694 5.034 4.340 -0.001 0.000 0.260 602 L C 0.740 177.508 176.870 -0.170 0.000 1.209 602 L CA -0.009 54.763 54.840 -0.113 0.000 0.817 602 L CB 1.084 43.098 42.059 -0.075 0.000 1.106 602 L HN 0.781 nan 8.230 nan 0.000 0.479 603 A N 0.838 123.596 122.820 -0.104 0.000 2.605 603 A HA 0.817 5.137 4.320 -0.001 0.000 0.294 603 A C -1.499 175.996 177.584 -0.147 0.000 1.062 603 A CA -0.215 51.818 52.037 -0.007 0.000 0.682 603 A CB 1.694 20.796 19.000 0.170 0.000 1.278 603 A HN 0.753 nan 8.150 nan 0.000 0.410 604 A N 1.044 123.709 122.820 -0.260 0.000 2.569 604 A HA 0.635 4.955 4.320 -0.001 0.000 0.282 604 A C -0.997 176.439 177.584 -0.246 0.000 1.165 604 A CA -0.327 51.365 52.037 -0.576 0.000 0.747 604 A CB 0.649 18.553 19.000 -1.827 0.000 1.215 604 A HN 1.530 nan 8.150 nan 0.000 0.431 605 V N 1.481 121.467 119.914 0.120 0.000 2.667 605 V HA 0.346 4.465 4.120 -0.001 0.000 0.308 605 V C 0.020 176.394 176.094 0.468 0.000 1.048 605 V CA -0.775 61.688 62.300 0.272 0.000 0.928 605 V CB 1.916 33.856 31.823 0.195 0.000 1.004 605 V HN 0.878 nan 8.190 nan 0.000 0.444 606 D N 2.745 123.394 120.400 0.416 0.000 2.356 606 D HA -0.016 4.624 4.640 -0.001 0.000 0.272 606 D C 1.539 177.815 176.300 -0.039 0.000 1.337 606 D CA 0.649 54.692 54.000 0.072 0.000 0.970 606 D CB 0.909 41.722 40.800 0.021 0.000 1.092 606 D HN 0.713 nan 8.370 nan 0.000 0.516 607 S N 2.848 118.566 115.700 0.031 0.000 2.488 607 S HA -0.238 4.231 4.470 -0.001 0.000 0.246 607 S C 1.921 176.504 174.600 -0.028 0.000 0.992 607 S CA 0.722 58.968 58.200 0.078 0.000 0.963 607 S CB -0.268 63.014 63.200 0.137 0.000 0.754 607 S HN 0.483 nan 8.310 nan 0.000 0.519 608 A N 1.818 124.600 122.820 -0.062 0.000 2.070 608 A HA 0.111 4.431 4.320 -0.001 0.000 0.220 608 A C 2.369 179.864 177.584 -0.149 0.000 1.159 608 A CA 1.328 53.371 52.037 0.010 0.000 0.656 608 A CB -1.087 18.017 19.000 0.174 0.000 0.800 608 A HN 0.826 nan 8.150 nan 0.000 0.453 609 V N -2.081 117.458 119.914 -0.626 0.000 2.214 609 V HA -0.340 3.779 4.120 -0.001 0.000 0.244 609 V C 2.244 177.995 176.094 -0.572 0.000 1.045 609 V CA 1.922 63.579 62.300 -1.071 0.000 0.993 609 V CB -1.975 29.072 31.823 -1.292 0.000 0.633 609 V HN 0.538 nan 8.190 nan 0.000 0.449 610 Y N 2.525 122.718 120.300 -0.179 0.000 2.014 610 Y HA 0.220 4.769 4.550 -0.001 0.000 0.270 610 Y C 2.566 178.440 175.900 -0.045 0.000 1.145 610 Y CA 1.157 59.206 58.100 -0.085 0.000 1.106 610 Y CB -1.839 36.592 38.460 -0.048 0.000 0.968 610 Y HN 0.577 nan 8.280 nan 0.000 0.484 611 G N 0.650 109.549 108.800 0.164 0.000 2.692 611 G HA2 -0.452 3.508 3.960 -0.001 0.000 0.339 611 G HA3 -0.452 3.508 3.960 -0.001 0.000 0.339 611 G C 1.335 176.286 174.900 0.084 0.000 1.226 611 G CA 2.672 47.829 45.100 0.096 0.000 0.979 611 G HN 1.135 nan 8.290 nan 0.000 0.549 612 V N -2.372 117.580 119.914 0.064 0.000 2.408 612 V HA -0.450 3.670 4.120 -0.001 0.000 0.229 612 V C 1.868 177.994 176.094 0.054 0.000 1.002 612 V CA 4.542 66.874 62.300 0.053 0.000 1.104 612 V CB -1.248 30.603 31.823 0.048 0.000 0.895 612 V HN 1.852 nan 8.190 nan 0.000 0.495 613 Q N -2.385 117.450 119.800 0.059 0.000 1.752 613 Q HA 0.196 4.536 4.340 -0.001 0.000 0.169 613 Q C 0.118 176.152 176.000 0.057 0.000 0.747 613 Q CA -0.486 55.352 55.803 0.058 0.000 0.814 613 Q CB 0.442 29.214 28.738 0.057 0.000 1.218 613 Q HN 0.649 nan 8.270 nan 0.000 0.384 614 R N 0.571 121.108 120.500 0.061 0.000 2.474 614 R HA 0.253 4.593 4.340 -0.001 0.000 0.339 614 R C 0.427 176.744 176.300 0.028 0.000 1.033 614 R CA 1.107 57.238 56.100 0.052 0.000 0.997 614 R CB 0.087 30.429 30.300 0.070 0.000 0.963 614 R HN 0.444 nan 8.270 nan 0.000 0.438 615 G N 0.897 109.711 108.800 0.024 0.000 3.977 615 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.224 615 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.224 615 G C 0.135 175.050 174.900 0.024 0.000 0.978 615 G CA -0.038 45.063 45.100 0.003 0.000 1.222 615 G HN 0.532 nan 8.290 nan 0.000 0.696 616 A N 1.053 123.900 122.820 0.045 0.000 2.929 616 A HA 0.623 4.943 4.320 -0.001 0.000 0.279 616 A C 1.154 178.773 177.584 0.059 0.000 1.418 616 A CA 0.737 52.810 52.037 0.060 0.000 1.035 616 A CB -0.433 18.618 19.000 0.085 0.000 1.047 616 A HN 0.823 nan 8.150 nan 0.000 0.609 617 K N -0.602 119.826 120.400 0.045 0.000 2.617 617 K HA 0.244 4.564 4.320 -0.001 0.000 0.184 617 K C -0.510 176.115 176.600 0.042 0.000 1.295 617 K CA -0.416 55.901 56.287 0.050 0.000 1.112 617 K CB -0.250 32.284 32.500 0.056 0.000 1.069 617 K HN 0.149 nan 8.250 nan 0.000 0.570 618 K N -0.216 120.201 120.400 0.028 0.000 7.082 618 K HA -0.115 4.205 4.320 -0.001 0.000 0.594 618 K C -2.652 173.950 176.600 0.003 0.000 2.575 618 K CA 0.238 56.537 56.287 0.020 0.000 2.012 618 K CB -0.891 31.631 32.500 0.038 0.000 2.349 618 K HN -0.011 nan 8.250 nan 0.000 0.193 619 P HA -0.041 nan 4.420 nan 0.000 0.216 619 P C 1.056 178.325 177.300 -0.052 0.000 1.154 619 P CA 0.417 63.483 63.100 -0.058 0.000 0.857 619 P CB 0.159 31.808 31.700 -0.085 0.000 0.787 620 L N -0.115 121.096 121.223 -0.020 0.000 2.313 620 L HA 0.048 4.387 4.340 -0.001 0.000 0.214 620 L C 1.734 178.672 176.870 0.113 0.000 1.119 620 L CA 1.848 56.687 54.840 -0.001 0.000 0.809 620 L CB -1.077 41.005 42.059 0.040 0.000 0.933 620 L HN -0.218 nan 8.230 nan 0.000 0.449 621 E N -0.504 119.772 120.200 0.128 0.000 2.208 621 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 621 E C 2.201 178.888 176.600 0.145 0.000 0.988 621 E CA 0.559 57.066 56.400 0.177 0.000 0.828 621 E CB -0.167 29.602 29.700 0.115 0.000 0.763 621 E HN 0.382 nan 8.360 nan 0.000 0.478 622 R N 0.135 120.679 120.500 0.074 0.000 2.103 622 R HA -0.170 4.169 4.340 -0.001 0.000 0.242 622 R C 1.818 178.169 176.300 0.086 0.000 1.142 622 R CA 1.486 57.623 56.100 0.062 0.000 0.960 622 R CB -0.247 30.054 30.300 0.000 0.000 0.858 622 R HN 0.099 nan 8.270 nan 0.000 0.439 623 V N 0.151 120.065 119.914 0.000 0.000 2.256 623 V HA -0.175 3.945 4.120 -0.001 0.000 0.240 623 V C 2.009 178.169 176.094 0.110 0.000 1.036 623 V CA 1.833 64.101 62.300 -0.053 0.000 1.008 623 V CB -0.607 30.970 31.823 -0.411 0.000 0.648 623 V HN 0.291 nan 8.190 nan 0.000 0.453 624 F N 0.906 120.868 119.950 0.019 0.000 2.111 624 F HA -0.397 4.129 4.527 -0.001 0.000 0.300 624 F C 2.787 178.634 175.800 0.080 0.000 1.088 624 F CA 2.408 60.428 58.000 0.033 0.000 1.243 624 F CB -0.254 38.755 39.000 0.015 0.000 0.996 624 F HN 0.356 nan 8.300 nan 0.000 0.483 625 Q N -0.132 119.856 119.800 0.313 0.000 2.020 625 Q HA -0.280 4.060 4.340 -0.001 0.000 0.202 625 Q C 2.143 178.286 176.000 0.239 0.000 0.982 625 Q CA 2.029 57.976 55.803 0.240 0.000 0.838 625 Q CB -1.277 27.578 28.738 0.197 0.000 0.899 625 Q HN 0.518 nan 8.270 nan 0.000 0.423 626 F N 1.737 121.776 119.950 0.147 0.000 2.102 626 F HA -0.092 4.435 4.527 -0.001 0.000 0.298 626 F C 1.848 177.730 175.800 0.137 0.000 1.105 626 F CA 1.165 59.260 58.000 0.160 0.000 1.239 626 F CB -0.177 38.947 39.000 0.207 0.000 0.991 626 F HN 0.174 nan 8.300 nan 0.000 0.474 627 L N 1.269 122.514 121.223 0.037 0.000 2.700 627 L HA -0.066 4.273 4.340 -0.001 0.000 0.240 627 L C 1.011 177.719 176.870 -0.270 0.000 1.162 627 L CA 1.307 55.929 54.840 -0.363 0.000 0.874 627 L CB -0.813 41.165 42.059 -0.134 0.000 1.001 627 L HN 0.568 nan 8.230 nan 0.000 0.447 628 E N -2.744 117.419 120.200 -0.062 0.000 2.921 628 E HA 0.063 4.413 4.350 -0.001 0.000 0.203 628 E C 0.476 177.110 176.600 0.057 0.000 0.975 628 E CA -0.447 55.987 56.400 0.057 0.000 1.225 628 E CB 0.183 29.973 29.700 0.150 0.000 1.048 628 E HN 0.103 nan 8.360 nan 0.000 0.477 629 K N 0.888 121.278 120.400 -0.016 0.000 2.525 629 K HA 0.034 4.353 4.320 -0.001 0.000 0.192 629 K C 1.321 177.937 176.600 0.026 0.000 1.029 629 K CA 0.632 56.918 56.287 -0.000 0.000 1.029 629 K CB 0.267 32.744 32.500 -0.038 0.000 0.814 629 K HN 0.295 nan 8.250 nan 0.000 0.503 630 S N 0.166 115.914 115.700 0.081 0.000 2.710 630 S HA 0.022 4.492 4.470 -0.001 0.000 0.224 630 S C 0.324 174.982 174.600 0.096 0.000 0.948 630 S CA -0.548 57.713 58.200 0.101 0.000 0.949 630 S CB -0.126 63.205 63.200 0.219 0.000 0.778 630 S HN 0.101 nan 8.310 nan 0.000 0.498 631 D N 1.933 122.390 120.400 0.094 0.000 2.393 631 D HA 0.172 4.812 4.640 -0.001 0.000 0.232 631 D C 1.003 177.348 176.300 0.076 0.000 1.192 631 D CA -0.278 53.785 54.000 0.105 0.000 0.882 631 D CB 0.610 41.495 40.800 0.142 0.000 1.038 631 D HN 0.291 nan 8.370 nan 0.000 0.499 632 L N 3.050 124.311 121.223 0.064 0.000 2.353 632 L HA 0.054 4.393 4.340 -0.001 0.000 0.220 632 L C 1.853 178.760 176.870 0.061 0.000 1.133 632 L CA 0.177 55.042 54.840 0.042 0.000 0.798 632 L CB -0.529 41.541 42.059 0.018 0.000 0.922 632 L HN 0.307 nan 8.230 nan 0.000 0.445 633 G N -1.173 107.679 108.800 0.086 0.000 2.479 633 G HA2 0.255 4.215 3.960 -0.001 0.000 0.275 633 G HA3 0.255 4.215 3.960 -0.001 0.000 0.275 633 G C -0.786 174.164 174.900 0.084 0.000 1.421 633 G CA 0.044 45.207 45.100 0.105 0.000 1.059 633 G HN 0.244 nan 8.290 nan 0.000 0.535 634 c N -1.829 116.820 118.600 0.082 0.000 3.218 634 c HA 0.643 5.212 4.570 -0.001 0.000 0.420 634 c C 0.301 174.410 174.090 0.033 0.000 0.987 634 c CA 0.959 57.312 56.329 0.040 0.000 1.196 634 c CB 0.106 42.657 42.510 0.068 0.000 1.576 634 c HN 2.537 nan 8.230 nan 0.000 0.594 635 G N 3.196 111.968 108.800 -0.047 0.000 2.760 635 G HA2 0.344 4.304 3.960 -0.001 0.000 0.246 635 G HA3 0.344 4.304 3.960 -0.001 0.000 0.246 635 G C 0.766 175.658 174.900 -0.014 0.000 1.359 635 G CA 0.091 45.166 45.100 -0.042 0.000 0.861 635 G HN 2.289 nan 8.290 nan 0.000 0.541 636 A N -0.585 122.259 122.820 0.040 0.000 2.121 636 A HA 0.574 4.893 4.320 -0.001 0.000 0.218 636 A C 2.350 180.081 177.584 0.244 0.000 1.154 636 A CA 2.502 54.641 52.037 0.170 0.000 0.679 636 A CB -0.742 18.354 19.000 0.159 0.000 0.795 636 A HN 2.964 nan 8.150 nan 0.000 0.458 637 G N -3.238 105.678 108.800 0.194 0.000 2.373 637 G HA2 0.471 4.431 3.960 -0.001 0.000 0.634 637 G HA3 0.471 4.431 3.960 -0.001 0.000 0.634 637 G C 0.553 175.616 174.900 0.272 0.000 1.267 637 G CA 0.012 45.250 45.100 0.230 0.000 1.008 637 G HN 2.261 nan 8.290 nan 0.000 0.497 638 G N -0.723 108.250 108.800 0.288 0.000 3.168 638 G HA2 0.449 4.409 3.960 -0.001 0.000 0.268 638 G HA3 0.449 4.409 3.960 -0.001 0.000 0.268 638 G C 1.260 176.445 174.900 0.476 0.000 0.800 638 G CA 0.915 46.227 45.100 0.354 0.000 0.765 638 G HN 2.320 nan 8.290 nan 0.000 0.368 639 G N 0.348 109.322 108.800 0.290 0.000 2.679 639 G HA2 0.626 4.586 3.960 -0.001 0.000 0.202 639 G HA3 0.626 4.586 3.960 -0.001 0.000 0.202 639 G C 1.186 175.848 174.900 -0.396 0.000 1.566 639 G CA 0.736 45.872 45.100 0.061 0.000 1.074 639 G HN 1.802 nan 8.290 nan 0.000 0.564 640 L N -2.567 118.314 121.223 -0.570 0.000 3.316 640 L HA 0.458 4.797 4.340 -0.001 0.000 0.300 640 L C 0.301 176.782 176.870 -0.649 0.000 1.128 640 L CA -0.006 54.405 54.840 -0.715 0.000 1.111 640 L CB -0.159 41.374 42.059 -0.876 0.000 1.687 640 L HN 0.321 nan 8.230 nan 0.000 0.594 641 N N -0.197 118.185 118.700 -0.530 0.000 2.867 641 N HA 0.211 4.950 4.740 -0.001 0.000 0.326 641 N C 0.353 175.534 175.510 -0.549 0.000 1.355 641 N CA 0.185 52.950 53.050 -0.476 0.000 0.830 641 N CB 0.066 38.437 38.487 -0.193 0.000 1.152 641 N HN 0.204 nan 8.380 nan 0.000 0.569 642 N N -0.184 118.399 118.700 -0.194 0.000 2.415 642 N HA 0.023 4.763 4.740 -0.001 0.000 0.174 642 N C 1.125 176.711 175.510 0.126 0.000 1.048 642 N CA 0.303 53.368 53.050 0.026 0.000 0.895 642 N CB 0.289 38.820 38.487 0.073 0.000 1.036 642 N HN 0.439 nan 8.380 nan 0.000 0.449 643 A N 1.443 124.361 122.820 0.162 0.000 1.872 643 A HA -0.134 4.186 4.320 -0.001 0.000 0.214 643 A C 2.021 179.788 177.584 0.304 0.000 1.187 643 A CA 1.251 53.505 52.037 0.361 0.000 0.614 643 A CB -1.151 18.013 19.000 0.273 0.000 0.826 643 A HN 0.505 nan 8.150 nan 0.000 0.442 644 N N -0.222 118.545 118.700 0.113 0.000 2.036 644 N HA -0.216 4.524 4.740 -0.001 0.000 0.199 644 N C 1.697 177.298 175.510 0.153 0.000 1.036 644 N CA 2.108 55.192 53.050 0.056 0.000 0.870 644 N CB -0.227 38.172 38.487 -0.147 0.000 1.055 644 N HN 0.226 nan 8.380 nan 0.000 0.436 645 V N 0.476 120.463 119.914 0.122 0.000 2.231 645 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 645 V C 1.852 178.024 176.094 0.131 0.000 1.054 645 V CA 1.896 64.280 62.300 0.140 0.000 1.015 645 V CB -0.926 30.978 31.823 0.136 0.000 0.638 645 V HN 0.313 nan 8.190 nan 0.000 0.444 646 F N -0.708 119.281 119.950 0.065 0.000 2.250 646 F HA -0.183 4.343 4.527 -0.001 0.000 0.301 646 F C 2.432 178.331 175.800 0.164 0.000 1.077 646 F CA 2.035 60.079 58.000 0.073 0.000 1.348 646 F CB -0.386 38.608 39.000 -0.009 0.000 1.040 646 F HN 0.270 nan 8.300 nan 0.000 0.509 647 H N 0.267 119.496 119.070 0.264 0.000 2.266 647 H HA -0.015 4.540 4.556 -0.001 0.000 0.308 647 H C 2.298 177.698 175.328 0.121 0.000 1.057 647 H CA 1.661 57.811 56.048 0.171 0.000 1.330 647 H CB -0.711 29.126 29.762 0.124 0.000 1.400 647 H HN 0.166 nan 8.280 nan 0.000 0.503 648 L N 0.726 122.183 121.223 0.389 0.000 2.349 648 L HA -0.140 4.199 4.340 -0.001 0.000 0.220 648 L C 2.517 179.508 176.870 0.201 0.000 1.130 648 L CA 0.887 55.890 54.840 0.272 0.000 0.791 648 L CB -0.382 41.807 42.059 0.217 0.000 0.918 648 L HN 0.298 nan 8.230 nan 0.000 0.444 649 A N -0.548 122.375 122.820 0.172 0.000 2.238 649 A HA 0.286 4.606 4.320 -0.001 0.000 0.208 649 A C 1.705 179.356 177.584 0.112 0.000 1.177 649 A CA 0.722 52.833 52.037 0.123 0.000 0.804 649 A CB -0.388 18.644 19.000 0.053 0.000 0.823 649 A HN 0.504 nan 8.150 nan 0.000 0.482 650 G N -1.651 107.218 108.800 0.114 0.000 2.132 650 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.228 650 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.228 650 G C -0.091 174.830 174.900 0.035 0.000 1.000 650 G CA 0.356 45.495 45.100 0.066 0.000 0.693 650 G HN 0.443 nan 8.290 nan 0.000 0.515 651 L N -0.951 120.310 121.223 0.064 0.000 2.279 651 L HA 0.928 5.267 4.340 -0.001 0.000 0.262 651 L C 0.082 177.005 176.870 0.089 0.000 1.019 651 L CA -0.950 53.954 54.840 0.107 0.000 0.823 651 L CB 2.619 44.824 42.059 0.243 0.000 1.358 651 L HN 0.128 nan 8.230 nan 0.000 0.432 652 T N 0.713 115.320 114.554 0.089 0.000 2.952 652 T HA 0.574 4.924 4.350 -0.001 0.000 0.305 652 T C -0.873 173.886 174.700 0.098 0.000 1.064 652 T CA -0.470 61.673 62.100 0.071 0.000 1.008 652 T CB 0.690 69.462 68.868 -0.159 0.000 1.078 652 T HN 0.310 nan 8.240 nan 0.000 0.459 653 F N 2.921 122.756 119.950 -0.191 0.000 2.411 653 F HA 0.870 5.397 4.527 -0.001 0.000 0.324 653 F C -0.419 175.252 175.800 -0.214 0.000 1.086 653 F CA -1.350 56.483 58.000 -0.278 0.000 1.028 653 F CB 0.655 39.211 39.000 -0.741 0.000 1.284 653 F HN 0.289 nan 8.300 nan 0.000 0.501 654 L N 1.976 123.145 121.223 -0.091 0.000 2.457 654 L HA 0.483 4.823 4.340 -0.001 0.000 0.252 654 L C -1.078 175.719 176.870 -0.123 0.000 1.132 654 L CA -0.109 54.637 54.840 -0.157 0.000 0.938 654 L CB 0.275 42.273 42.059 -0.101 0.000 1.246 654 L HN 0.832 nan 8.230 nan 0.000 0.476 655 T N 2.089 116.598 114.554 -0.075 0.000 2.991 655 T HA 0.350 4.700 4.350 -0.001 0.000 0.303 655 T C -0.212 174.561 174.700 0.122 0.000 1.015 655 T CA -0.538 61.626 62.100 0.108 0.000 1.007 655 T CB 1.389 70.379 68.868 0.203 0.000 1.034 655 T HN 0.331 nan 8.240 nan 0.000 0.446 656 N N 2.092 120.976 118.700 0.306 0.000 2.415 656 N HA 0.480 5.219 4.740 -0.001 0.000 0.250 656 N C 0.446 175.980 175.510 0.039 0.000 1.127 656 N CA -0.246 52.881 53.050 0.129 0.000 0.945 656 N CB 0.689 39.230 38.487 0.090 0.000 1.196 656 N HN 0.765 nan 8.380 nan 0.000 0.499 657 A N 3.418 126.254 122.820 0.026 0.000 3.089 657 A HA 0.045 4.365 4.320 -0.001 0.000 0.137 657 A C -0.429 177.166 177.584 0.019 0.000 1.386 657 A CA -0.273 51.767 52.037 0.005 0.000 1.843 657 A CB 0.147 19.149 19.000 0.003 0.000 1.765 657 A HN 0.529 nan 8.150 nan 0.000 0.779 658 N N 0.377 119.108 118.700 0.053 0.000 2.456 658 N HA 0.559 5.299 4.740 -0.001 0.000 0.296 658 N C -0.201 175.340 175.510 0.052 0.000 1.102 658 N CA -0.007 53.083 53.050 0.066 0.000 0.924 658 N CB 1.661 40.209 38.487 0.101 0.000 1.186 658 N HN 0.665 nan 8.380 nan 0.000 0.492 659 A N 1.533 124.361 122.820 0.013 0.000 2.513 659 A HA -0.035 4.284 4.320 -0.001 0.000 0.274 659 A C 0.454 177.967 177.584 -0.119 0.000 1.115 659 A CA -0.091 51.914 52.037 -0.053 0.000 0.792 659 A CB -0.409 18.572 19.000 -0.032 0.000 1.053 659 A HN 0.819 nan 8.150 nan 0.000 0.515 660 D N 2.615 122.750 120.400 -0.441 0.000 2.392 660 D HA -0.105 4.534 4.640 -0.001 0.000 0.228 660 D C 0.542 176.497 176.300 -0.575 0.000 1.003 660 D CA 0.397 53.663 54.000 -1.224 0.000 0.917 660 D CB -0.171 39.553 40.800 -1.794 0.000 0.890 660 D HN 0.697 nan 8.370 nan 0.000 0.532 661 D N 0.882 121.140 120.400 -0.237 0.000 2.429 661 D HA -0.111 4.529 4.640 -0.001 0.000 0.233 661 D C -0.262 176.041 176.300 0.004 0.000 1.202 661 D CA 0.325 54.261 54.000 -0.107 0.000 0.879 661 D CB 0.622 41.393 40.800 -0.049 0.000 1.212 661 D HN 0.147 nan 8.370 nan 0.000 0.465 662 S N 0.723 116.451 115.700 0.046 0.000 2.158 662 S HA 0.094 4.563 4.470 -0.001 0.000 0.160 662 S C 0.056 174.755 174.600 0.165 0.000 1.693 662 S CA -0.979 57.368 58.200 0.245 0.000 1.251 662 S CB 0.578 63.831 63.200 0.088 0.000 1.153 662 S HN 0.483 nan 8.310 nan 0.000 0.439 663 Q N 3.153 123.002 119.800 0.082 0.000 3.186 663 Q HA -0.086 4.254 4.340 -0.001 0.000 0.346 663 Q C 0.058 176.078 176.000 0.033 0.000 1.137 663 Q CA 1.026 56.844 55.803 0.025 0.000 1.199 663 Q CB -0.371 28.358 28.738 -0.015 0.000 0.986 663 Q HN 0.754 nan 8.270 nan 0.000 0.426 664 E N 0.856 121.077 120.200 0.035 0.000 9.216 664 E HA -0.273 4.077 4.350 -0.001 0.000 0.459 664 E C -0.002 176.630 176.600 0.053 0.000 1.406 664 E CA 0.295 56.716 56.400 0.034 0.000 2.442 664 E CB -0.299 29.413 29.700 0.020 0.000 1.033 664 E HN 0.639 nan 8.360 nan 0.000 0.376 665 N N 1.304 120.024 118.700 0.033 0.000 2.322 665 N HA -0.030 4.710 4.740 -0.001 0.000 0.194 665 N C -0.802 174.725 175.510 0.028 0.000 1.126 665 N CA 0.552 53.614 53.050 0.021 0.000 0.845 665 N CB 0.083 38.559 38.487 -0.018 0.000 0.976 665 N HN 0.359 nan 8.380 nan 0.000 0.475 666 D N 0.618 121.036 120.400 0.030 0.000 2.455 666 D HA 0.057 4.697 4.640 -0.001 0.000 0.234 666 D C -0.457 175.859 176.300 0.028 0.000 1.224 666 D CA 0.108 54.120 54.000 0.020 0.000 0.999 666 D CB 0.140 40.945 40.800 0.008 0.000 1.072 666 D HN 0.027 nan 8.370 nan 0.000 0.514 667 E N 1.666 121.892 120.200 0.043 0.000 3.729 667 E HA 0.159 4.509 4.350 -0.001 0.000 0.195 667 E C -2.058 174.568 176.600 0.044 0.000 1.005 667 E CA -1.193 55.245 56.400 0.063 0.000 1.356 667 E CB 0.622 30.422 29.700 0.166 0.000 1.138 667 E HN 0.396 nan 8.360 nan 0.000 0.450 668 P HA 0.068 nan 4.420 nan 0.000 0.237 668 P C 0.450 177.759 177.300 0.016 0.000 1.723 668 P CA -0.282 62.829 63.100 0.018 0.000 0.882 668 P CB -0.780 30.927 31.700 0.012 0.000 1.810 669 c N 1.095 119.709 118.600 0.023 0.000 2.624 669 c HA 0.006 4.576 4.570 -0.001 0.000 0.396 669 c C 0.601 174.694 174.090 0.005 0.000 1.305 669 c CA 0.297 56.636 56.329 0.015 0.000 1.728 669 c CB -0.998 41.527 42.510 0.024 0.000 2.628 669 c HN 0.491 nan 8.230 nan 0.000 0.622 670 K N 3.609 124.006 120.400 -0.006 0.000 2.729 670 K HA 0.228 4.548 4.320 -0.001 0.000 0.269 670 K C -0.137 176.449 176.600 -0.022 0.000 1.065 670 K CA -0.124 56.157 56.287 -0.010 0.000 1.000 670 K CB 0.353 32.850 32.500 -0.005 0.000 1.283 670 K HN 0.895 nan 8.250 nan 0.000 0.491 671 E N 3.118 123.298 120.200 -0.032 0.000 2.416 671 E HA -0.254 4.096 4.350 -0.001 0.000 0.249 671 E C 0.333 176.907 176.600 -0.044 0.000 1.124 671 E CA 0.716 57.091 56.400 -0.041 0.000 0.732 671 E CB -1.010 28.678 29.700 -0.021 0.000 1.286 671 E HN 0.692 nan 8.360 nan 0.000 0.394 672 I N 0.149 120.685 120.570 -0.058 0.000 3.526 672 I HA 0.071 4.241 4.170 -0.001 0.000 0.294 672 I C 1.302 177.376 176.117 -0.072 0.000 1.229 672 I CA -0.101 61.174 61.300 -0.042 0.000 1.408 672 I CB 0.395 38.373 38.000 -0.037 0.000 1.127 672 I HN 0.261 nan 8.210 nan 0.000 0.439 680 Q N 2.547 122.350 119.800 0.006 0.000 2.378 680 Q HA -0.056 4.283 4.340 -0.001 0.000 0.205 680 Q C 1.227 177.213 176.000 -0.022 0.000 0.954 680 Q CA 1.456 57.252 55.803 -0.012 0.000 0.901 680 Q CB 0.144 28.888 28.738 0.010 0.000 0.981 680 Q HN 0.550 nan 8.270 nan 0.000 0.483 681 K N 0.888 121.289 120.400 0.001 0.000 2.217 681 K HA -0.079 4.240 4.320 -0.001 0.000 0.202 681 K C 1.970 178.570 176.600 -0.001 0.000 1.051 681 K CA 1.205 57.497 56.287 0.008 0.000 0.952 681 K CB -0.005 32.510 32.500 0.025 0.000 0.736 681 K HN 0.042 nan 8.250 nan 0.000 0.453 682 K N 2.121 122.517 120.400 -0.006 0.000 2.280 682 K HA -0.088 4.232 4.320 -0.001 0.000 0.202 682 K C 1.448 178.038 176.600 -0.018 0.000 1.047 682 K CA 1.309 57.590 56.287 -0.009 0.000 0.942 682 K CB -0.116 32.377 32.500 -0.011 0.000 0.739 682 K HN 0.234 nan 8.250 nan 0.000 0.457 683 I N -0.206 120.343 120.570 -0.034 0.000 2.731 683 I HA -0.008 4.162 4.170 -0.001 0.000 0.260 683 I C 1.583 177.674 176.117 -0.044 0.000 1.138 683 I CA 0.454 61.722 61.300 -0.052 0.000 1.461 683 I CB -0.230 37.713 38.000 -0.096 0.000 1.128 683 I HN 0.092 nan 8.210 nan 0.000 0.438 684 E N 1.715 121.892 120.200 -0.039 0.000 2.515 684 E HA -0.187 4.163 4.350 -0.001 0.000 0.201 684 E C 1.530 178.143 176.600 0.022 0.000 1.071 684 E CA 0.770 57.166 56.400 -0.007 0.000 0.880 684 E CB -0.017 29.688 29.700 0.009 0.000 0.828 684 E HN 0.666 nan 8.360 nan 0.000 0.540 685 E N 0.366 120.574 120.200 0.014 0.000 2.400 685 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 685 E C 1.383 177.999 176.600 0.026 0.000 1.012 685 E CA 0.116 56.529 56.400 0.021 0.000 0.875 685 E CB 0.170 29.878 29.700 0.015 0.000 0.859 685 E HN 0.122 nan 8.360 nan 0.000 0.498 686 I N 1.674 122.257 120.570 0.023 0.000 3.646 686 I HA 0.106 4.275 4.170 -0.001 0.000 0.301 686 I C 1.686 177.837 176.117 0.057 0.000 1.276 686 I CA 0.278 61.597 61.300 0.031 0.000 1.254 686 I CB -0.859 37.150 38.000 0.015 0.000 1.020 686 I HN 0.133 nan 8.210 nan 0.000 0.473 687 A N 0.896 123.757 122.820 0.068 0.000 2.261 687 A HA 0.301 4.621 4.320 -0.001 0.000 0.208 687 A C 2.281 179.928 177.584 0.104 0.000 1.223 687 A CA 0.878 52.975 52.037 0.100 0.000 0.833 687 A CB -0.321 18.739 19.000 0.100 0.000 0.830 687 A HN 0.370 nan 8.150 nan 0.000 0.483 688 A N 0.960 123.829 122.820 0.083 0.000 2.066 688 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 688 A C 1.600 179.249 177.584 0.107 0.000 1.157 688 A CA 1.178 53.265 52.037 0.083 0.000 0.670 688 A CB -0.350 18.683 19.000 0.056 0.000 0.804 688 A HN 0.622 nan 8.150 nan 0.000 0.453 689 K N -0.203 120.260 120.400 0.105 0.000 3.173 689 K HA 0.190 4.510 4.320 -0.001 0.000 0.255 689 K C -0.382 176.292 176.600 0.124 0.000 1.235 689 K CA -0.658 55.685 56.287 0.093 0.000 1.250 689 K CB -0.556 31.985 32.500 0.068 0.000 1.382 689 K HN 0.371 nan 8.250 nan 0.000 0.421 690 Y N 2.427 122.755 120.300 0.046 0.000 2.346 690 Y HA 0.047 4.597 4.550 -0.001 0.000 0.330 690 Y C 0.261 176.195 175.900 0.057 0.000 1.178 690 Y CA 0.141 58.272 58.100 0.052 0.000 1.331 690 Y CB 0.913 39.394 38.460 0.035 0.000 1.253 690 Y HN 0.431 nan 8.280 nan 0.000 0.529 691 K N 2.809 122.687 120.400 -0.870 0.000 2.564 691 K HA 0.191 4.511 4.320 -0.001 0.000 0.177 691 K C -1.097 175.220 176.600 -0.473 0.000 1.518 691 K CA -0.470 55.349 56.287 -0.779 0.000 1.076 691 K CB -0.241 32.090 32.500 -0.281 0.000 1.335 691 K HN 0.763 nan 8.250 nan 0.000 0.571 692 H N -0.756 117.995 119.070 -0.531 0.000 2.929 692 H HA 0.033 4.589 4.556 -0.001 0.000 0.268 692 H C 0.357 175.765 175.328 0.134 0.000 1.333 692 H CA 0.206 56.205 56.048 -0.082 0.000 1.422 692 H CB 1.389 31.115 29.762 -0.060 0.000 1.897 692 H HN -0.018 nan 8.280 nan 0.000 0.491 693 S N 1.022 116.682 115.700 -0.066 0.000 2.353 693 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 693 S C 1.746 176.418 174.600 0.120 0.000 1.035 693 S CA 2.107 60.330 58.200 0.039 0.000 1.025 693 S CB -0.324 62.834 63.200 -0.071 0.000 0.902 693 S HN 0.373 nan 8.310 nan 0.000 0.440 694 V N 1.700 121.734 119.914 0.200 0.000 2.453 694 V HA -0.151 3.969 4.120 -0.001 0.000 0.252 694 V C 2.508 178.704 176.094 0.171 0.000 1.068 694 V CA 1.816 64.236 62.300 0.200 0.000 1.070 694 V CB -0.954 31.022 31.823 0.256 0.000 0.664 694 V HN 0.465 nan 8.190 nan 0.000 0.461 695 V N 0.013 120.037 119.914 0.183 0.000 2.358 695 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 695 V C 2.503 178.698 176.094 0.167 0.000 1.047 695 V CA 2.209 64.601 62.300 0.154 0.000 1.035 695 V CB -0.659 31.239 31.823 0.125 0.000 0.658 695 V HN 0.563 nan 8.190 nan 0.000 0.452 696 K N 1.561 122.069 120.400 0.179 0.000 2.015 696 K HA -0.278 4.042 4.320 -0.001 0.000 0.216 696 K C 2.085 178.802 176.600 0.196 0.000 1.052 696 K CA 2.367 58.763 56.287 0.182 0.000 0.937 696 K CB -0.602 31.985 32.500 0.146 0.000 0.719 696 K HN 0.288 nan 8.250 nan 0.000 0.446 697 K N 0.279 120.763 120.400 0.140 0.000 2.074 697 K HA -0.118 4.202 4.320 -0.001 0.000 0.209 697 K C 2.077 178.802 176.600 0.209 0.000 1.048 697 K CA 1.985 58.356 56.287 0.141 0.000 0.926 697 K CB -0.987 31.561 32.500 0.080 0.000 0.713 697 K HN 0.356 nan 8.250 nan 0.000 0.444 698 c N -0.193 118.526 118.600 0.198 0.000 2.401 698 c HA -0.180 4.389 4.570 -0.001 0.000 0.276 698 c C 3.103 177.363 174.090 0.284 0.000 1.233 698 c CA 1.036 57.516 56.329 0.251 0.000 1.753 698 c CB -1.211 41.421 42.510 0.204 0.000 2.029 698 c HN 0.810 nan 8.230 nan 0.000 0.478 699 c N -1.413 117.307 118.600 0.200 0.000 2.518 699 c HA -0.042 4.528 4.570 -0.001 0.000 0.279 699 c C 2.442 176.587 174.090 0.092 0.000 1.279 699 c CA 1.085 57.481 56.329 0.112 0.000 1.703 699 c CB -1.662 40.907 42.510 0.099 0.000 2.072 699 c HN 0.643 nan 8.230 nan 0.000 0.487 700 Y N 2.843 123.167 120.300 0.040 0.000 1.940 700 Y HA -0.294 4.256 4.550 -0.001 0.000 0.250 700 Y C 2.392 178.300 175.900 0.013 0.000 1.132 700 Y CA 3.036 61.152 58.100 0.027 0.000 1.079 700 Y CB -0.497 37.987 38.460 0.041 0.000 0.940 700 Y HN 0.603 nan 8.280 nan 0.000 0.490 701 D N -0.953 119.635 120.400 0.314 0.000 2.350 701 D HA -0.050 4.589 4.640 -0.001 0.000 0.216 701 D C 2.161 178.527 176.300 0.109 0.000 0.968 701 D CA 1.036 55.155 54.000 0.199 0.000 0.894 701 D CB -1.230 39.693 40.800 0.205 0.000 0.909 701 D HN 0.463 nan 8.370 nan 0.000 0.520 702 G N 0.961 109.792 108.800 0.052 0.000 2.514 702 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.217 702 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.217 702 G C 1.383 175.933 174.900 -0.584 0.000 1.198 702 G CA 1.220 46.099 45.100 -0.369 0.000 0.780 702 G HN 0.537 nan 8.290 nan 0.000 0.565 703 A N -0.839 121.779 122.820 -0.337 0.000 2.579 703 A HA 0.408 4.728 4.320 -0.001 0.000 0.273 703 A C 1.843 179.341 177.584 -0.143 0.000 1.363 703 A CA 0.576 52.459 52.037 -0.255 0.000 0.953 703 A CB -1.004 17.875 19.000 -0.201 0.000 1.034 703 A HN 0.426 nan 8.150 nan 0.000 0.536 704 C N -0.452 118.791 119.300 -0.095 0.000 2.550 704 C HA 0.098 4.558 4.460 -0.001 0.000 0.287 704 C C 0.869 175.842 174.990 -0.029 0.000 1.210 704 C CA 2.013 61.008 59.018 -0.037 0.000 1.776 704 C CB -0.509 27.242 27.740 0.019 0.000 2.032 704 C HN 1.099 nan 8.230 nan 0.000 0.439 705 V N 0.322 120.231 119.914 -0.008 0.000 3.029 705 V HA 0.417 4.537 4.120 -0.001 0.000 0.252 705 V C -1.205 174.904 176.094 0.025 0.000 1.161 705 V CA -0.712 61.593 62.300 0.008 0.000 0.948 705 V CB -0.026 31.811 31.823 0.024 0.000 1.055 705 V HN 0.618 nan 8.190 nan 0.000 0.496 706 N N 3.668 122.380 118.700 0.020 0.000 2.599 706 N HA 0.355 5.094 4.740 -0.001 0.000 0.283 706 N C -0.065 175.462 175.510 0.028 0.000 1.160 706 N CA 0.053 53.125 53.050 0.036 0.000 0.869 706 N CB 2.360 40.882 38.487 0.058 0.000 1.448 706 N HN 0.879 nan 8.380 nan 0.000 0.535 707 N N 1.168 119.884 118.700 0.028 0.000 2.205 707 N HA 0.100 4.840 4.740 -0.001 0.000 0.201 707 N C 0.139 175.662 175.510 0.021 0.000 1.128 707 N CA 0.088 53.149 53.050 0.018 0.000 0.867 707 N CB 0.524 39.017 38.487 0.011 0.000 0.996 707 N HN 0.299 nan 8.380 nan 0.000 0.503 708 D N 0.571 120.988 120.400 0.028 0.000 2.323 708 D HA 0.004 4.644 4.640 -0.001 0.000 0.209 708 D C -0.083 176.232 176.300 0.026 0.000 0.973 708 D CA 0.650 54.665 54.000 0.026 0.000 0.874 708 D CB 0.499 41.318 40.800 0.032 0.000 0.930 708 D HN 0.675 nan 8.370 nan 0.000 0.521 709 E N -0.629 119.590 120.200 0.032 0.000 2.390 709 E HA 0.332 4.681 4.350 -0.001 0.000 0.277 709 E C -0.170 176.456 176.600 0.043 0.000 0.939 709 E CA -0.867 55.554 56.400 0.035 0.000 0.769 709 E CB 1.222 30.944 29.700 0.037 0.000 1.251 709 E HN -0.137 nan 8.360 nan 0.000 0.450 710 T N -1.635 112.945 114.554 0.042 0.000 2.640 710 T HA 0.017 4.367 4.350 -0.001 0.000 0.316 710 T C 1.070 175.816 174.700 0.077 0.000 1.036 710 T CA -0.166 61.961 62.100 0.046 0.000 1.009 710 T CB 0.479 69.371 68.868 0.039 0.000 1.017 710 T HN 0.681 nan 8.240 nan 0.000 0.530 711 c N 1.071 119.718 118.600 0.079 0.000 2.500 711 c HA 0.042 4.612 4.570 -0.001 0.000 0.279 711 c C 2.867 177.084 174.090 0.211 0.000 1.288 711 c CA 0.881 57.292 56.329 0.136 0.000 1.710 711 c CB -1.485 41.062 42.510 0.063 0.000 2.052 711 c HN 1.080 nan 8.230 nan 0.000 0.488 712 E N 0.984 121.261 120.200 0.127 0.000 2.268 712 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 712 E C 1.784 178.427 176.600 0.070 0.000 0.995 712 E CA 1.038 57.500 56.400 0.104 0.000 0.836 712 E CB -0.437 29.302 29.700 0.066 0.000 0.763 712 E HN 0.669 nan 8.360 nan 0.000 0.491 713 Q N 0.735 120.576 119.800 0.068 0.000 2.050 713 Q HA -0.086 4.253 4.340 -0.001 0.000 0.202 713 Q C 2.208 178.223 176.000 0.025 0.000 0.980 713 Q CA 1.691 57.518 55.803 0.040 0.000 0.840 713 Q CB -0.038 28.725 28.738 0.041 0.000 0.898 713 Q HN 0.274 nan 8.270 nan 0.000 0.424 714 R N -0.008 120.536 120.500 0.073 0.000 2.237 714 R HA -0.010 4.330 4.340 -0.001 0.000 0.219 714 R C 1.940 178.131 176.300 -0.182 0.000 1.080 714 R CA 0.853 56.972 56.100 0.033 0.000 0.995 714 R CB -0.110 30.331 30.300 0.236 0.000 0.875 714 R HN 0.159 nan 8.270 nan 0.000 0.462 715 A N 0.906 123.664 122.820 -0.104 0.000 2.067 715 A HA 0.126 4.446 4.320 -0.001 0.000 0.217 715 A C 2.185 179.673 177.584 -0.161 0.000 1.156 715 A CA 1.021 52.915 52.037 -0.238 0.000 0.683 715 A CB -0.171 18.838 19.000 0.015 0.000 0.808 715 A HN 0.326 nan 8.150 nan 0.000 0.455 716 A N -0.491 122.276 122.820 -0.089 0.000 2.067 716 A HA -0.003 4.316 4.320 -0.001 0.000 0.217 716 A C 2.088 179.623 177.584 -0.081 0.000 1.156 716 A CA 1.123 53.122 52.037 -0.063 0.000 0.683 716 A CB -0.330 18.652 19.000 -0.029 0.000 0.808 716 A HN 0.440 nan 8.150 nan 0.000 0.455 717 R N -0.410 120.020 120.500 -0.117 0.000 2.310 717 R HA 0.235 4.575 4.340 -0.001 0.000 0.202 717 R C -0.410 175.810 176.300 -0.134 0.000 0.933 717 R CA -0.100 55.933 56.100 -0.113 0.000 1.054 717 R CB -0.120 30.109 30.300 -0.119 0.000 0.985 717 R HN 0.448 nan 8.270 nan 0.000 0.489 718 I N 1.605 122.066 120.570 -0.181 0.000 2.396 718 I HA -0.047 4.123 4.170 -0.001 0.000 0.289 718 I C 1.231 177.295 176.117 -0.089 0.000 1.056 718 I CA 0.079 61.272 61.300 -0.178 0.000 1.365 718 I CB 1.712 39.549 38.000 -0.272 0.000 1.407 718 I HN 0.152 nan 8.210 nan 0.000 0.509 719 S N 6.129 121.799 115.700 -0.050 0.000 2.497 719 S HA 0.139 4.609 4.470 -0.001 0.000 0.218 719 S C 1.461 176.063 174.600 0.003 0.000 1.023 719 S CA -0.283 57.911 58.200 -0.010 0.000 0.913 719 S CB -0.021 63.191 63.200 0.020 0.000 0.800 719 S HN 0.643 nan 8.310 nan 0.000 0.505 720 L N 1.756 122.978 121.223 -0.002 0.000 2.447 720 L HA 0.163 4.503 4.340 -0.001 0.000 0.225 720 L C 1.310 178.182 176.870 0.003 0.000 1.148 720 L CA 0.748 55.597 54.840 0.015 0.000 0.808 720 L CB -1.301 40.772 42.059 0.024 0.000 0.928 720 L HN 0.696 nan 8.230 nan 0.000 0.448 721 G N -1.367 107.428 108.800 -0.009 0.000 2.535 721 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.662 721 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.662 721 G C -2.619 172.273 174.900 -0.014 0.000 1.417 721 G CA -0.941 44.151 45.100 -0.013 0.000 0.866 721 G HN -0.205 nan 8.290 nan 0.000 0.647 722 P HA -0.006 nan 4.420 nan 0.000 0.236 722 P C 1.719 179.020 177.300 0.000 0.000 1.172 722 P CA 0.566 63.663 63.100 -0.005 0.000 0.759 722 P CB 0.054 31.751 31.700 -0.005 0.000 0.843 723 R N -0.479 120.018 120.500 -0.006 0.000 2.062 723 R HA -0.048 4.292 4.340 -0.001 0.000 0.229 723 R C 2.057 178.370 176.300 0.021 0.000 1.128 723 R CA 1.828 57.925 56.100 -0.005 0.000 0.960 723 R CB -1.116 29.165 30.300 -0.032 0.000 0.855 723 R HN 0.365 nan 8.270 nan 0.000 0.432 724 c N -0.940 117.682 118.600 0.037 0.000 2.791 724 c HA 0.386 4.956 4.570 -0.001 0.000 0.270 724 c C 2.218 176.373 174.090 0.108 0.000 1.257 724 c CA -0.810 55.566 56.329 0.079 0.000 1.699 724 c CB -0.847 41.722 42.510 0.098 0.000 1.904 724 c HN 0.330 nan 8.230 nan 0.000 0.603 725 I N 1.745 122.355 120.570 0.067 0.000 2.248 725 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 725 I C 2.731 178.928 176.117 0.134 0.000 1.107 725 I CA 1.734 63.080 61.300 0.076 0.000 1.373 725 I CB -0.266 37.751 38.000 0.029 0.000 1.055 725 I HN 0.429 nan 8.210 nan 0.000 0.418 726 K N 0.549 121.008 120.400 0.098 0.000 2.031 726 K HA -0.083 4.237 4.320 -0.001 0.000 0.205 726 K C 2.242 178.906 176.600 0.107 0.000 1.049 726 K CA 1.283 57.624 56.287 0.090 0.000 0.939 726 K CB -0.217 32.318 32.500 0.058 0.000 0.717 726 K HN 0.271 nan 8.250 nan 0.000 0.438 727 A N 0.856 123.744 122.820 0.114 0.000 2.032 727 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 727 A C 1.913 179.581 177.584 0.140 0.000 1.165 727 A CA 1.306 53.413 52.037 0.116 0.000 0.645 727 A CB -0.565 18.511 19.000 0.126 0.000 0.807 727 A HN 0.354 nan 8.150 nan 0.000 0.453 728 F N 1.321 121.292 119.950 0.035 0.000 2.123 728 F HA -0.104 4.422 4.527 -0.001 0.000 0.289 728 F C 2.774 178.588 175.800 0.023 0.000 1.099 728 F CA 2.292 60.312 58.000 0.033 0.000 1.234 728 F CB -0.573 38.445 39.000 0.030 0.000 1.034 728 F HN 0.295 nan 8.300 nan 0.000 0.479 729 T N -1.559 113.123 114.554 0.212 0.000 2.746 729 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 729 T C 1.814 176.511 174.700 -0.005 0.000 1.039 729 T CA 1.233 63.388 62.100 0.091 0.000 1.142 729 T CB -0.593 68.358 68.868 0.137 0.000 0.866 729 T HN 0.238 nan 8.240 nan 0.000 0.444 730 E N 0.776 120.985 120.200 0.016 0.000 2.019 730 E HA -0.173 4.177 4.350 -0.001 0.000 0.208 730 E C 2.609 179.184 176.600 -0.042 0.000 1.030 730 E CA 1.782 58.180 56.400 -0.002 0.000 0.856 730 E CB -0.780 28.930 29.700 0.016 0.000 0.781 730 E HN 0.555 nan 8.360 nan 0.000 0.471 731 c N 0.708 119.271 118.600 -0.063 0.000 2.413 731 c HA -0.183 4.386 4.570 -0.001 0.000 0.277 731 c C 3.010 177.012 174.090 -0.147 0.000 1.265 731 c CA 0.516 56.788 56.329 -0.096 0.000 1.752 731 c CB -1.295 41.155 42.510 -0.100 0.000 1.998 731 c HN 0.636 nan 8.230 nan 0.000 0.489 732 c N 0.663 119.125 118.600 -0.231 0.000 2.386 732 c HA -0.141 4.428 4.570 -0.001 0.000 0.279 732 c C 2.808 176.818 174.090 -0.133 0.000 1.208 732 c CA 2.033 58.205 56.329 -0.261 0.000 1.747 732 c CB -1.272 41.017 42.510 -0.369 0.000 2.046 732 c HN 0.484 nan 8.230 nan 0.000 0.453 733 V N 0.636 120.498 119.914 -0.087 0.000 2.287 733 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 733 V C 2.533 178.599 176.094 -0.046 0.000 1.053 733 V CA 2.326 64.597 62.300 -0.048 0.000 1.027 733 V CB -0.825 30.983 31.823 -0.025 0.000 0.646 733 V HN 0.584 nan 8.190 nan 0.000 0.447 734 V N 0.174 120.058 119.914 -0.049 0.000 2.278 734 V HA -0.356 3.764 4.120 -0.001 0.000 0.251 734 V C 2.500 178.568 176.094 -0.044 0.000 1.062 734 V CA 2.511 64.787 62.300 -0.041 0.000 1.038 734 V CB -0.945 30.853 31.823 -0.041 0.000 0.646 734 V HN 0.615 nan 8.190 nan 0.000 0.447 735 A N -1.795 120.989 122.820 -0.060 0.000 2.147 735 A HA 0.005 4.325 4.320 -0.001 0.000 0.211 735 A C 2.335 179.891 177.584 -0.046 0.000 1.160 735 A CA 1.180 53.184 52.037 -0.054 0.000 0.781 735 A CB -0.167 18.791 19.000 -0.071 0.000 0.842 735 A HN 0.484 nan 8.150 nan 0.000 0.475 736 S N 0.118 115.788 115.700 -0.049 0.000 2.395 736 S HA -0.115 4.355 4.470 -0.001 0.000 0.225 736 S C 2.048 176.631 174.600 -0.029 0.000 1.027 736 S CA 1.021 59.198 58.200 -0.038 0.000 0.965 736 S CB -0.192 62.985 63.200 -0.039 0.000 0.812 736 S HN 0.607 nan 8.310 nan 0.000 0.482 737 Q N 0.792 120.576 119.800 -0.027 0.000 2.124 737 Q HA -0.013 4.327 4.340 -0.001 0.000 0.202 737 Q C 2.210 178.197 176.000 -0.021 0.000 0.977 737 Q CA 0.830 56.620 55.803 -0.021 0.000 0.850 737 Q CB -0.700 28.027 28.738 -0.018 0.000 0.901 737 Q HN 0.422 nan 8.270 nan 0.000 0.429 738 L N 1.919 123.128 121.223 -0.023 0.000 2.201 738 L HA -0.131 4.208 4.340 -0.001 0.000 0.212 738 L C 2.419 179.276 176.870 -0.021 0.000 1.105 738 L CA 1.536 56.363 54.840 -0.021 0.000 0.775 738 L CB -0.327 41.719 42.059 -0.021 0.000 0.913 738 L HN 0.182 nan 8.230 nan 0.000 0.440 739 R N -0.644 119.841 120.500 -0.024 0.000 2.189 739 R HA 0.056 4.396 4.340 -0.001 0.000 0.218 739 R C 1.778 178.058 176.300 -0.032 0.000 1.074 739 R CA 1.038 57.122 56.100 -0.027 0.000 0.991 739 R CB -0.713 29.570 30.300 -0.027 0.000 0.883 739 R HN 0.300 nan 8.270 nan 0.000 0.457 740 A N 0.506 123.309 122.820 -0.028 0.000 2.169 740 A HA 0.047 4.367 4.320 -0.001 0.000 0.212 740 A C 1.210 178.778 177.584 -0.026 0.000 1.153 740 A CA 0.808 52.828 52.037 -0.028 0.000 0.756 740 A CB -0.282 18.704 19.000 -0.024 0.000 0.813 740 A HN 0.510 nan 8.150 nan 0.000 0.471 741 N N -0.521 118.165 118.700 -0.024 0.000 2.511 741 N HA 0.151 4.890 4.740 -0.001 0.000 0.190 741 N C 1.333 176.830 175.510 -0.021 0.000 1.037 741 N CA 0.543 53.581 53.050 -0.021 0.000 0.895 741 N CB -0.086 38.391 38.487 -0.017 0.000 1.149 741 N HN 0.345 nan 8.380 nan 0.000 0.437 742 I N 0.772 121.330 120.570 -0.021 0.000 2.502 742 I HA -0.190 3.979 4.170 -0.001 0.000 0.258 742 I C 0.644 176.745 176.117 -0.027 0.000 1.172 742 I CA 0.543 61.830 61.300 -0.021 0.000 1.430 742 I CB -0.534 37.456 38.000 -0.017 0.000 1.086 742 I HN 0.183 nan 8.210 nan 0.000 0.440 750 G N 0.456 109.214 108.800 -0.070 0.000 3.774 750 G HA2 0.251 4.211 3.960 -0.001 0.000 0.287 750 G HA3 0.251 4.211 3.960 -0.001 0.000 0.287 750 G C -0.219 174.599 174.900 -0.137 0.000 1.030 750 G CA -0.283 44.756 45.100 -0.102 0.000 0.824 750 G HN 0.141 nan 8.290 nan 0.000 0.518 751 R N 0.667 121.094 120.500 -0.121 0.000 2.202 751 R HA 0.583 4.922 4.340 -0.001 0.000 0.334 751 R C -1.298 174.788 176.300 -0.358 0.000 1.036 751 R CA -0.623 55.366 56.100 -0.184 0.000 0.878 751 R CB 1.352 31.654 30.300 0.003 0.000 1.067 751 R HN 0.248 nan 8.270 nan 0.000 0.457 752 L N 2.965 123.764 121.223 -0.707 0.000 2.526 752 L HA 0.385 4.725 4.340 -0.001 0.000 0.263 752 L C -1.669 174.731 176.870 -0.784 0.000 0.943 752 L CA -0.404 54.076 54.840 -0.601 0.000 0.859 752 L CB 1.739 43.642 42.059 -0.259 0.000 1.313 752 L HN 0.727 nan 8.230 nan 0.000 0.406 753 H N 4.705 123.801 119.070 0.044 0.000 3.162 753 H HA 0.515 5.070 4.556 -0.001 0.000 0.309 753 H C -0.599 174.781 175.328 0.087 0.000 1.156 753 H CA -0.721 55.365 56.048 0.063 0.000 1.586 753 H CB 0.865 30.680 29.762 0.089 0.000 1.740 753 H HN 0.542 nan 8.280 nan 0.000 0.525 754 M N 2.464 122.136 119.600 0.120 0.000 2.247 754 M HA 0.123 4.603 4.480 -0.001 0.000 0.318 754 M C 0.057 176.424 176.300 0.112 0.000 1.054 754 M CA 0.909 56.266 55.300 0.095 0.000 1.117 754 M CB 0.397 33.016 32.600 0.032 0.000 1.515 754 M HN 0.423 nan 8.290 nan 0.000 0.442 755 K N 0.342 120.809 120.400 0.112 0.000 2.658 755 K HA 0.492 4.811 4.320 -0.001 0.000 0.293 755 K C -1.528 175.088 176.600 0.027 0.000 1.026 755 K CA -0.659 55.632 56.287 0.008 0.000 0.871 755 K CB 2.207 34.568 32.500 -0.232 0.000 1.524 755 K HN 0.670 nan 8.250 nan 0.000 0.400 756 T N 1.217 115.728 114.554 -0.073 0.000 3.583 756 T HA 0.121 4.471 4.350 -0.001 0.000 0.274 756 T C -0.588 174.114 174.700 0.003 0.000 0.698 756 T CA -0.630 61.441 62.100 -0.049 0.000 1.262 756 T CB 0.264 68.996 68.868 -0.228 0.000 1.000 756 T HN 0.414 nan 8.240 nan 0.000 0.528 757 L N 2.669 123.898 121.223 0.011 0.000 2.536 757 L HA 0.471 4.810 4.340 -0.001 0.000 0.294 757 L C -0.229 176.742 176.870 0.169 0.000 1.257 757 L CA 0.618 55.472 54.840 0.023 0.000 0.850 757 L CB 0.269 42.337 42.059 0.015 0.000 1.105 757 L HN 0.711 nan 8.230 nan 0.000 0.517 758 L N 4.725 126.018 121.223 0.116 0.000 3.903 758 L HA 0.147 4.486 4.340 -0.001 0.000 0.233 758 L C -2.056 174.830 176.870 0.027 0.000 1.018 758 L CA -0.792 54.098 54.840 0.084 0.000 1.388 758 L CB 1.091 43.189 42.059 0.066 0.000 1.891 758 L HN 0.527 nan 8.230 nan 0.000 0.720 759 P HA -0.053 nan 4.420 nan 0.000 0.231 759 P C 0.886 178.183 177.300 -0.005 0.000 1.154 759 P CA 0.973 64.078 63.100 0.008 0.000 0.762 759 P CB 0.029 31.738 31.700 0.017 0.000 0.790 760 V N -2.473 117.425 119.914 -0.026 0.000 5.297 760 V HA -0.315 3.805 4.120 -0.001 0.000 0.298 760 V C 1.064 177.136 176.094 -0.037 0.000 0.408 760 V CA 0.809 63.084 62.300 -0.041 0.000 0.733 760 V CB -3.299 28.516 31.823 -0.015 0.000 0.584 760 V HN 0.522 nan 8.190 nan 0.000 1.394 761 S N -3.000 112.675 115.700 -0.041 0.000 3.319 761 S HA -0.298 4.172 4.470 -0.001 0.000 0.319 761 S C 0.140 174.726 174.600 -0.023 0.000 1.236 761 S CA 1.971 60.145 58.200 -0.044 0.000 0.964 761 S CB -1.667 61.494 63.200 -0.065 0.000 1.040 761 S HN 1.037 nan 8.310 nan 0.000 0.620 762 K N 1.982 122.373 120.400 -0.016 0.000 2.297 762 K HA 0.393 4.712 4.320 -0.001 0.000 0.286 762 K C -2.773 173.803 176.600 -0.040 0.000 1.053 762 K CA -1.817 54.460 56.287 -0.018 0.000 0.940 762 K CB 0.329 32.812 32.500 -0.028 0.000 1.019 762 K HN 0.134 nan 8.250 nan 0.000 0.475 763 P HA -0.025 nan 4.420 nan 0.000 0.263 763 P C -0.808 176.428 177.300 -0.106 0.000 1.601 763 P CA -0.044 63.038 63.100 -0.029 0.000 1.161 763 P CB 0.110 31.834 31.700 0.040 0.000 1.730 764 E N 3.161 123.307 120.200 -0.090 0.000 2.280 764 E HA 0.594 4.944 4.350 -0.001 0.000 0.261 764 E C -0.481 176.085 176.600 -0.056 0.000 1.088 764 E CA -1.053 55.278 56.400 -0.115 0.000 0.915 764 E CB 1.672 31.304 29.700 -0.113 0.000 1.141 764 E HN 0.215 nan 8.360 nan 0.000 0.433 765 I N 0.819 121.348 120.570 -0.068 0.000 2.654 765 I HA 0.090 4.260 4.170 -0.001 0.000 0.282 765 I C 0.168 176.230 176.117 -0.091 0.000 1.258 765 I CA -0.584 60.704 61.300 -0.020 0.000 1.088 765 I CB 1.087 39.138 38.000 0.084 0.000 1.316 765 I HN 0.469 nan 8.210 nan 0.000 0.448 766 R N 3.343 123.760 120.500 -0.139 0.000 2.339 766 R HA 0.089 4.428 4.340 -0.001 0.000 0.199 766 R C 0.534 176.765 176.300 -0.115 0.000 1.018 766 R CA 0.353 56.307 56.100 -0.242 0.000 1.036 766 R CB -0.448 29.740 30.300 -0.187 0.000 0.899 766 R HN 0.638 nan 8.270 nan 0.000 0.473 767 S N -0.612 115.069 115.700 -0.032 0.000 2.501 767 S HA 0.406 4.876 4.470 -0.001 0.000 0.301 767 S C -0.888 173.605 174.600 -0.178 0.000 1.096 767 S CA -0.925 57.227 58.200 -0.080 0.000 1.063 767 S CB 1.782 64.830 63.200 -0.253 0.000 1.042 767 S HN 0.227 nan 8.310 nan 0.000 0.494 768 Y N 2.177 122.270 120.300 -0.346 0.000 2.387 768 Y HA 0.691 5.241 4.550 -0.001 0.000 0.330 768 Y C -1.646 173.854 175.900 -0.668 0.000 1.133 768 Y CA -1.383 56.401 58.100 -0.527 0.000 1.152 768 Y CB 1.017 39.132 38.460 -0.575 0.000 1.215 768 Y HN 0.676 nan 8.280 nan 0.000 0.466 769 F N 6.014 125.459 119.950 -0.841 0.000 2.449 769 F HA 0.496 5.023 4.527 -0.001 0.000 0.342 769 F C -2.238 173.193 175.800 -0.614 0.000 1.127 769 F CA -2.781 54.896 58.000 -0.537 0.000 0.975 769 F CB 1.117 39.880 39.000 -0.395 0.000 1.146 769 F HN 0.411 nan 8.300 nan 0.000 0.444 770 P HA -0.024 nan 4.420 nan 0.000 0.268 770 P C -0.253 177.215 177.300 0.280 0.000 1.208 770 P CA -0.241 63.039 63.100 0.300 0.000 0.777 770 P CB 0.622 32.597 31.700 0.458 0.000 0.875 771 E N 1.162 121.529 120.200 0.278 0.000 2.392 771 E HA 0.124 4.473 4.350 -0.001 0.000 0.264 771 E C -0.431 176.325 176.600 0.260 0.000 1.024 771 E CA -0.170 56.347 56.400 0.195 0.000 0.903 771 E CB 0.410 30.194 29.700 0.140 0.000 0.963 771 E HN 0.366 nan 8.360 nan 0.000 0.432 772 S N 3.613 119.408 115.700 0.159 0.000 2.614 772 S HA 0.379 4.848 4.470 -0.001 0.000 0.265 772 S C -0.453 174.266 174.600 0.198 0.000 1.303 772 S CA -0.634 57.647 58.200 0.135 0.000 1.000 772 S CB 0.410 63.629 63.200 0.032 0.000 0.935 772 S HN 0.541 nan 8.310 nan 0.000 0.551 773 W N -1.050 120.179 121.300 -0.120 0.000 3.179 773 W HA 0.551 5.211 4.660 -0.001 0.000 0.372 773 W C -0.619 175.900 176.519 -0.001 0.000 1.137 773 W CA -1.331 55.962 57.345 -0.087 0.000 1.100 773 W CB -0.402 28.939 29.460 -0.199 0.000 1.503 773 W HN 0.507 nan 8.180 nan 0.000 0.601 774 L N 1.092 122.429 121.223 0.189 0.000 3.858 774 L HA -0.244 4.096 4.340 -0.001 0.000 0.425 774 L C 0.701 177.597 176.870 0.042 0.000 1.177 774 L CA 0.780 55.616 54.840 -0.006 0.000 0.943 774 L CB -0.630 41.289 42.059 -0.233 0.000 1.861 774 L HN 0.709 nan 8.230 nan 0.000 0.985 775 W N 3.028 124.295 121.300 -0.055 0.000 3.314 775 W HA 0.115 4.774 4.660 -0.001 0.000 0.413 775 W C 0.791 177.291 176.519 -0.032 0.000 1.007 775 W CA 0.032 57.351 57.345 -0.045 0.000 1.881 775 W CB 0.005 29.438 29.460 -0.045 0.000 0.928 775 W HN 0.433 nan 8.180 nan 0.000 0.818 776 E N 0.267 120.440 120.200 -0.045 0.000 2.250 776 E HA 0.422 4.772 4.350 -0.001 0.000 0.269 776 E C -0.690 175.822 176.600 -0.148 0.000 1.018 776 E CA -0.799 55.542 56.400 -0.098 0.000 0.873 776 E CB 2.048 31.700 29.700 -0.080 0.000 1.134 776 E HN -0.209 nan 8.360 nan 0.000 0.403 777 V N 1.635 121.429 119.914 -0.200 0.000 2.716 777 V HA 0.270 4.390 4.120 -0.001 0.000 0.304 777 V C -0.233 175.745 176.094 -0.194 0.000 1.053 777 V CA -0.499 61.727 62.300 -0.123 0.000 0.984 777 V CB 1.234 32.977 31.823 -0.134 0.000 1.021 777 V HN 0.637 nan 8.190 nan 0.000 0.467 778 H N 2.771 121.924 119.070 0.137 0.000 2.865 778 H HA 0.345 4.900 4.556 -0.001 0.000 0.362 778 H C -1.182 174.293 175.328 0.245 0.000 1.114 778 H CA -0.767 55.372 56.048 0.152 0.000 1.208 778 H CB 2.294 32.083 29.762 0.046 0.000 1.727 778 H HN 0.474 nan 8.280 nan 0.000 0.534 779 L N 4.522 125.906 121.223 0.269 0.000 2.334 779 L HA 0.220 4.560 4.340 -0.001 0.000 0.286 779 L C -0.929 175.870 176.870 -0.120 0.000 1.108 779 L CA -0.271 54.482 54.840 -0.145 0.000 0.875 779 L CB -0.061 41.848 42.059 -0.249 0.000 1.246 779 L HN 0.294 nan 8.230 nan 0.000 0.439 780 V N 7.762 127.589 119.914 -0.145 0.000 2.294 780 V HA 0.357 4.477 4.120 -0.001 0.000 0.272 780 V C -2.001 174.010 176.094 -0.139 0.000 1.027 780 V CA -1.281 60.961 62.300 -0.097 0.000 0.823 780 V CB 1.114 32.906 31.823 -0.052 0.000 1.030 780 V HN 0.663 nan 8.190 nan 0.000 0.457 781 P HA 0.283 nan 4.420 nan 0.000 0.237 781 P C 0.617 177.874 177.300 -0.072 0.000 1.788 781 P CA -0.148 62.886 63.100 -0.109 0.000 1.061 781 P CB -0.082 31.565 31.700 -0.088 0.000 1.967 782 R N -0.805 119.654 120.500 -0.069 0.000 3.943 782 R HA -0.228 4.112 4.340 -0.001 0.000 0.459 782 R C 0.280 176.561 176.300 -0.031 0.000 0.939 782 R CA 1.228 57.301 56.100 -0.044 0.000 1.515 782 R CB -1.261 29.018 30.300 -0.035 0.000 2.164 782 R HN 0.426 nan 8.270 nan 0.000 0.516 783 R N -0.601 119.878 120.500 -0.035 0.000 2.664 783 R HA 0.539 4.878 4.340 -0.001 0.000 0.266 783 R C -1.397 174.886 176.300 -0.028 0.000 1.046 783 R CA -0.931 55.156 56.100 -0.022 0.000 0.885 783 R CB 2.491 32.784 30.300 -0.012 0.000 1.254 783 R HN 0.051 nan 8.270 nan 0.000 0.465 784 K N 1.002 121.387 120.400 -0.025 0.000 2.685 784 K HA 0.232 4.551 4.320 -0.001 0.000 0.290 784 K C -2.096 174.487 176.600 -0.028 0.000 1.018 784 K CA -0.641 55.627 56.287 -0.032 0.000 0.860 784 K CB 2.534 35.000 32.500 -0.056 0.000 1.498 784 K HN 0.563 nan 8.250 nan 0.000 0.390 785 Q N 2.302 122.087 119.800 -0.025 0.000 2.377 785 Q HA 0.621 4.961 4.340 -0.001 0.000 0.279 785 Q C -1.984 174.019 176.000 0.006 0.000 1.049 785 Q CA -0.898 54.907 55.803 0.005 0.000 0.825 785 Q CB 1.878 30.634 28.738 0.031 0.000 1.401 785 Q HN 0.557 nan 8.270 nan 0.000 0.404 786 L N 0.920 122.178 121.223 0.057 0.000 2.680 786 L HA 0.441 4.781 4.340 -0.001 0.000 0.260 786 L C -0.871 176.186 176.870 0.313 0.000 0.975 786 L CA -0.982 53.915 54.840 0.095 0.000 0.920 786 L CB 1.341 43.366 42.059 -0.056 0.000 1.234 786 L HN 0.605 nan 8.230 nan 0.000 0.429 787 Q N 3.275 123.237 119.800 0.270 0.000 2.299 787 Q HA 0.773 5.113 4.340 -0.001 0.000 0.246 787 Q C -1.094 175.178 176.000 0.453 0.000 0.935 787 Q CA -0.480 55.501 55.803 0.297 0.000 0.887 787 Q CB 1.746 30.564 28.738 0.134 0.000 1.223 787 Q HN 0.697 nan 8.270 nan 0.000 0.439 788 F N -2.575 117.405 119.950 0.049 0.000 2.686 788 F HA 0.608 5.134 4.527 -0.001 0.000 0.315 788 F C -1.767 174.044 175.800 0.018 0.000 1.088 788 F CA -1.261 56.760 58.000 0.036 0.000 1.034 788 F CB 0.477 39.512 39.000 0.058 0.000 1.280 788 F HN 0.706 nan 8.300 nan 0.000 0.463 789 A N 4.010 126.802 122.820 -0.047 0.000 2.354 789 A HA 0.644 4.964 4.320 -0.001 0.000 0.281 789 A C -0.242 177.217 177.584 -0.209 0.000 1.174 789 A CA -0.664 51.287 52.037 -0.144 0.000 0.828 789 A CB -0.058 18.903 19.000 -0.065 0.000 1.099 789 A HN 0.811 nan 8.150 nan 0.000 0.516 790 L N 2.298 123.343 121.223 -0.297 0.000 2.467 790 L HA 0.421 4.760 4.340 -0.001 0.000 0.270 790 L C -2.377 174.288 176.870 -0.342 0.000 1.205 790 L CA -1.785 52.790 54.840 -0.443 0.000 0.828 790 L CB -1.074 40.883 42.059 -0.169 0.000 1.101 790 L HN 0.316 nan 8.230 nan 0.000 0.479 791 P HA -0.008 nan 4.420 nan 0.000 0.265 791 P C -0.646 176.640 177.300 -0.023 0.000 1.193 791 P CA -0.098 62.837 63.100 -0.274 0.000 0.765 791 P CB 0.290 31.781 31.700 -0.349 0.000 0.823 792 D N 2.087 122.470 120.400 -0.029 0.000 2.385 792 D HA 0.178 4.818 4.640 -0.001 0.000 0.260 792 D C -0.661 175.655 176.300 0.027 0.000 1.326 792 D CA 0.808 54.808 54.000 -0.001 0.000 1.023 792 D CB -0.682 40.103 40.800 -0.024 0.000 1.083 792 D HN 0.161 nan 8.370 nan 0.000 0.517 793 S N 3.842 119.583 115.700 0.068 0.000 2.586 793 S HA 0.184 4.654 4.470 -0.001 0.000 0.296 793 S C -1.295 173.330 174.600 0.042 0.000 1.120 793 S CA -0.903 57.340 58.200 0.072 0.000 0.927 793 S CB 0.113 63.426 63.200 0.188 0.000 1.114 793 S HN 0.168 nan 8.310 nan 0.000 0.453 794 L N 5.236 126.452 121.223 -0.012 0.000 2.574 794 L HA 0.371 4.710 4.340 -0.001 0.000 0.281 794 L C 0.641 177.457 176.870 -0.089 0.000 1.212 794 L CA 1.021 55.870 54.840 0.016 0.000 1.082 794 L CB -0.714 41.381 42.059 0.060 0.000 1.362 794 L HN 0.818 nan 8.230 nan 0.000 0.451 795 T N -2.075 112.350 114.554 -0.215 0.000 2.932 795 T HA 0.360 4.710 4.350 -0.001 0.000 0.318 795 T C -0.119 174.259 174.700 -0.537 0.000 1.265 795 T CA -0.844 60.962 62.100 -0.490 0.000 1.036 795 T CB 1.249 69.531 68.868 -0.976 0.000 1.209 795 T HN 0.076 nan 8.240 nan 0.000 0.484 796 T N 2.636 116.958 114.554 -0.387 0.000 2.875 796 T HA 0.256 4.605 4.350 -0.001 0.000 0.307 796 T C -0.512 174.102 174.700 -0.143 0.000 1.013 796 T CA -0.371 61.615 62.100 -0.189 0.000 0.970 796 T CB -0.442 68.386 68.868 -0.066 0.000 0.986 796 T HN 0.529 nan 8.240 nan 0.000 0.536 797 W N 2.894 124.282 121.300 0.146 0.000 2.485 797 W HA 0.231 4.891 4.660 -0.001 0.000 0.315 797 W C 0.895 177.446 176.519 0.052 0.000 1.304 797 W CA -0.843 56.576 57.345 0.123 0.000 1.345 797 W CB 0.273 29.862 29.460 0.215 0.000 1.368 797 W HN 0.574 nan 8.180 nan 0.000 0.497 798 E N 5.389 125.767 120.200 0.296 0.000 2.052 798 E HA 0.125 4.475 4.350 -0.001 0.000 0.283 798 E C -0.577 176.094 176.600 0.118 0.000 1.071 798 E CA -0.439 56.075 56.400 0.189 0.000 0.851 798 E CB 0.389 30.215 29.700 0.210 0.000 1.066 798 E HN 0.535 nan 8.360 nan 0.000 0.396 799 I N 5.984 126.579 120.570 0.042 0.000 2.282 799 I HA 0.100 4.270 4.170 -0.001 0.000 0.290 799 I C -0.218 175.874 176.117 -0.041 0.000 1.090 799 I CA -0.534 60.727 61.300 -0.066 0.000 1.231 799 I CB 0.239 38.163 38.000 -0.127 0.000 1.434 799 I HN 0.547 nan 8.210 nan 0.000 0.487 800 Q N 5.982 125.765 119.800 -0.027 0.000 2.230 800 Q HA 0.604 4.944 4.340 -0.001 0.000 0.248 800 Q C -0.521 175.438 176.000 -0.069 0.000 0.915 800 Q CA -0.903 54.877 55.803 -0.039 0.000 0.900 800 Q CB 2.041 30.769 28.738 -0.017 0.000 1.229 800 Q HN 0.741 nan 8.270 nan 0.000 0.439 801 G N 2.370 111.111 108.800 -0.098 0.000 2.728 801 G HA2 0.456 4.415 3.960 -0.001 0.000 0.296 801 G HA3 0.456 4.415 3.960 -0.001 0.000 0.296 801 G C -1.460 173.346 174.900 -0.157 0.000 1.401 801 G CA -0.465 44.568 45.100 -0.112 0.000 1.007 801 G HN 0.592 nan 8.290 nan 0.000 0.527 802 I N 2.617 123.072 120.570 -0.192 0.000 2.362 802 I HA 0.826 4.995 4.170 -0.001 0.000 0.289 802 I C 0.159 176.118 176.117 -0.263 0.000 0.994 802 I CA -0.989 60.124 61.300 -0.311 0.000 1.158 802 I CB 1.511 39.194 38.000 -0.527 0.000 1.315 802 I HN 0.423 nan 8.210 nan 0.000 0.451 803 G N 7.868 116.539 108.800 -0.216 0.000 2.519 803 G HA2 0.745 4.705 3.960 -0.001 0.000 0.307 803 G HA3 0.745 4.705 3.960 -0.001 0.000 0.307 803 G C -1.147 173.694 174.900 -0.100 0.000 1.266 803 G CA -0.812 44.228 45.100 -0.100 0.000 0.970 803 G HN 0.918 nan 8.290 nan 0.000 0.481 804 I N -1.435 119.149 120.570 0.023 0.000 2.686 804 I HA 0.869 5.038 4.170 -0.001 0.000 0.295 804 I C -0.554 175.669 176.117 0.176 0.000 1.114 804 I CA -0.789 60.541 61.300 0.050 0.000 1.038 804 I CB 2.254 40.281 38.000 0.044 0.000 1.238 804 I HN 0.430 nan 8.210 nan 0.000 0.420 805 S N 2.626 118.403 115.700 0.129 0.000 2.843 805 S HA 0.331 4.801 4.470 -0.001 0.000 0.301 805 S C 0.351 175.018 174.600 0.111 0.000 1.206 805 S CA -0.687 57.608 58.200 0.157 0.000 0.875 805 S CB 1.256 64.507 63.200 0.086 0.000 1.248 805 S HN 0.774 nan 8.310 nan 0.000 0.555 806 N N 2.046 120.803 118.700 0.095 0.000 2.334 806 N HA -0.109 4.631 4.740 -0.001 0.000 0.187 806 N C 1.628 177.176 175.510 0.063 0.000 1.016 806 N CA 1.869 54.966 53.050 0.078 0.000 0.879 806 N CB -0.562 37.962 38.487 0.063 0.000 0.965 806 N HN 0.760 nan 8.380 nan 0.000 0.438 807 T N -3.910 110.675 114.554 0.051 0.000 3.054 807 T HA 0.440 4.790 4.350 -0.001 0.000 0.259 807 T C 1.075 175.799 174.700 0.040 0.000 1.092 807 T CA 0.531 62.657 62.100 0.043 0.000 1.121 807 T CB 0.431 69.318 68.868 0.031 0.000 0.912 807 T HN 0.324 nan 8.240 nan 0.000 0.489 808 G N 0.752 109.573 108.800 0.035 0.000 2.291 808 G HA2 0.240 4.200 3.960 -0.001 0.000 0.249 808 G HA3 0.240 4.200 3.960 -0.001 0.000 0.249 808 G C -1.729 173.154 174.900 -0.028 0.000 1.340 808 G CA -0.477 44.633 45.100 0.016 0.000 1.017 808 G HN 0.509 nan 8.290 nan 0.000 0.470 809 I N -0.392 120.113 120.570 -0.107 0.000 2.577 809 I HA 0.709 4.878 4.170 -0.001 0.000 0.305 809 I C -0.569 175.372 176.117 -0.293 0.000 0.986 809 I CA -0.946 60.229 61.300 -0.209 0.000 1.189 809 I CB 1.770 39.600 38.000 -0.283 0.000 1.355 809 I HN 0.991 nan 8.210 nan 0.000 0.476 810 c N 7.800 126.225 118.600 -0.292 0.000 3.140 810 c HA 0.412 4.982 4.570 -0.001 0.000 0.374 810 c C -0.747 173.195 174.090 -0.247 0.000 1.055 810 c CA -0.502 55.676 56.329 -0.252 0.000 1.315 810 c CB -0.442 41.985 42.510 -0.138 0.000 1.732 810 c HN 0.552 nan 8.230 nan 0.000 0.532 811 V N 5.239 124.985 119.914 -0.280 0.000 2.715 811 V HA 0.573 4.692 4.120 -0.001 0.000 0.299 811 V C 1.131 177.132 176.094 -0.155 0.000 1.054 811 V CA 0.663 62.815 62.300 -0.246 0.000 1.077 811 V CB 0.850 32.520 31.823 -0.256 0.000 0.972 811 V HN 1.090 nan 8.190 nan 0.000 0.484 812 A N 3.105 125.841 122.820 -0.142 0.000 2.263 812 A HA 0.522 4.841 4.320 -0.001 0.000 0.318 812 A C -0.145 177.386 177.584 -0.090 0.000 1.111 812 A CA -0.786 51.188 52.037 -0.105 0.000 0.901 812 A CB 0.358 19.289 19.000 -0.114 0.000 1.280 812 A HN 0.810 nan 8.150 nan 0.000 0.503 813 D N 1.669 122.024 120.400 -0.075 0.000 2.339 813 D HA 0.228 4.868 4.640 -0.001 0.000 0.256 813 D C 0.319 176.584 176.300 -0.059 0.000 1.214 813 D CA 0.609 54.577 54.000 -0.053 0.000 0.877 813 D CB 0.852 41.635 40.800 -0.028 0.000 1.111 813 D HN 0.519 nan 8.370 nan 0.000 0.478 814 T N 0.832 115.359 114.554 -0.045 0.000 2.928 814 T HA 0.073 4.423 4.350 -0.001 0.000 0.305 814 T C 0.003 174.704 174.700 0.001 0.000 1.035 814 T CA -0.403 61.679 62.100 -0.029 0.000 1.145 814 T CB 0.411 69.265 68.868 -0.023 0.000 0.963 814 T HN 0.017 nan 8.240 nan 0.000 0.545 815 V N 6.578 126.499 119.914 0.011 0.000 2.333 815 V HA 0.321 4.440 4.120 -0.001 0.000 0.274 815 V C 0.287 176.432 176.094 0.086 0.000 1.028 815 V CA -0.824 61.508 62.300 0.053 0.000 0.851 815 V CB 0.906 32.760 31.823 0.051 0.000 1.000 815 V HN 0.839 nan 8.190 nan 0.000 0.456 816 K N 3.751 124.214 120.400 0.105 0.000 2.368 816 K HA 0.580 4.899 4.320 -0.001 0.000 0.282 816 K C 0.203 176.904 176.600 0.169 0.000 1.035 816 K CA 0.296 56.660 56.287 0.129 0.000 0.973 816 K CB 1.043 33.610 32.500 0.112 0.000 0.957 816 K HN 0.803 nan 8.250 nan 0.000 0.474 817 A N 3.950 126.881 122.820 0.186 0.000 3.082 817 A HA 0.172 4.492 4.320 -0.001 0.000 0.328 817 A C -0.772 176.950 177.584 0.230 0.000 1.089 817 A CA -0.911 51.238 52.037 0.187 0.000 0.802 817 A CB -0.272 18.735 19.000 0.013 0.000 1.138 817 A HN 0.700 nan 8.150 nan 0.000 0.474 818 K N 0.853 121.398 120.400 0.241 0.000 2.383 818 K HA 0.468 4.788 4.320 -0.001 0.000 0.286 818 K C -0.077 176.696 176.600 0.288 0.000 1.051 818 K CA -0.299 56.095 56.287 0.178 0.000 0.974 818 K CB 0.958 33.522 32.500 0.106 0.000 0.968 818 K HN 0.526 nan 8.250 nan 0.000 0.475 819 V N 1.618 121.678 119.914 0.243 0.000 2.732 819 V HA 0.847 4.966 4.120 -0.001 0.000 0.310 819 V C -0.763 175.522 176.094 0.318 0.000 1.053 819 V CA -0.808 61.677 62.300 0.308 0.000 0.957 819 V CB 0.727 32.721 31.823 0.286 0.000 1.018 819 V HN 0.967 nan 8.190 nan 0.000 0.452 820 F N 1.845 121.861 119.950 0.110 0.000 2.714 820 F HA 0.566 5.093 4.527 -0.001 0.000 0.313 820 F C -1.267 174.602 175.800 0.114 0.000 1.104 820 F CA -0.859 57.194 58.000 0.088 0.000 1.005 820 F CB 1.293 40.351 39.000 0.097 0.000 1.268 820 F HN 0.742 nan 8.300 nan 0.000 0.449 821 K N 4.357 124.290 120.400 -0.779 0.000 2.234 821 K HA 0.338 4.657 4.320 -0.001 0.000 0.277 821 K C 0.313 176.281 176.600 -1.053 0.000 1.038 821 K CA -0.160 55.722 56.287 -0.676 0.000 0.888 821 K CB 1.080 33.413 32.500 -0.279 0.000 1.091 821 K HN 0.645 nan 8.250 nan 0.000 0.467 822 D N 1.781 121.754 120.400 -0.711 0.000 2.127 822 D HA -0.141 4.499 4.640 -0.001 0.000 0.190 822 D C -0.015 176.341 176.300 0.093 0.000 1.000 822 D CA 1.401 55.257 54.000 -0.239 0.000 0.839 822 D CB 0.137 40.950 40.800 0.021 0.000 0.955 822 D HN 0.239 nan 8.370 nan 0.000 0.446 823 V N -0.056 119.905 119.914 0.079 0.000 2.709 823 V HA 0.544 4.663 4.120 -0.001 0.000 0.308 823 V C -0.759 175.428 176.094 0.155 0.000 1.062 823 V CA -0.946 61.390 62.300 0.060 0.000 0.901 823 V CB 2.008 33.837 31.823 0.011 0.000 1.003 823 V HN 0.166 nan 8.190 nan 0.000 0.425 824 F N 3.571 123.502 119.950 -0.032 0.000 2.693 824 F HA 0.851 5.377 4.527 -0.000 0.000 0.309 824 F C -1.639 174.145 175.800 -0.026 0.000 1.129 824 F CA -1.256 56.735 58.000 -0.016 0.000 0.948 824 F CB 1.533 40.539 39.000 0.010 0.000 1.315 824 F HN 0.464 nan 8.300 nan 0.000 0.447 825 L N 2.402 123.681 121.223 0.093 0.000 2.331 825 L HA 0.741 5.081 4.340 -0.001 0.000 0.275 825 L C -0.846 176.097 176.870 0.122 0.000 1.022 825 L CA -0.276 54.538 54.840 -0.044 0.000 0.812 825 L CB 1.910 43.934 42.059 -0.058 0.000 1.257 825 L HN 0.872 nan 8.230 nan 0.000 0.435 826 E N 4.320 124.535 120.200 0.026 0.000 2.248 826 E HA 0.526 4.876 4.350 -0.001 0.000 0.267 826 E C -1.556 174.996 176.600 -0.082 0.000 0.877 826 E CA -0.952 55.485 56.400 0.062 0.000 0.759 826 E CB 1.740 31.569 29.700 0.214 0.000 1.182 826 E HN 0.433 nan 8.360 nan 0.000 0.418 827 M N 2.651 122.158 119.600 -0.154 0.000 2.336 827 M HA 0.293 4.773 4.480 -0.001 0.000 0.342 827 M C -0.679 175.565 176.300 -0.093 0.000 1.128 827 M CA -0.862 54.289 55.300 -0.249 0.000 1.016 827 M CB 0.872 33.082 32.600 -0.650 0.000 1.665 827 M HN 0.638 nan 8.290 nan 0.000 0.445 828 N N 3.178 121.863 118.700 -0.025 0.000 2.801 828 N HA 0.283 5.023 4.740 -0.001 0.000 0.235 828 N C -0.951 174.629 175.510 0.116 0.000 1.069 828 N CA -0.222 52.862 53.050 0.057 0.000 0.946 828 N CB 0.271 38.812 38.487 0.090 0.000 1.212 828 N HN 0.448 nan 8.380 nan 0.000 0.509 829 I N 2.925 123.555 120.570 0.100 0.000 2.588 829 I HA 0.214 4.384 4.170 -0.001 0.000 0.283 829 I C -1.546 174.696 176.117 0.208 0.000 1.119 829 I CA -1.767 59.622 61.300 0.149 0.000 1.419 829 I CB 0.072 38.146 38.000 0.123 0.000 1.394 829 I HN 0.362 nan 8.210 nan 0.000 0.562 830 P HA 0.117 nan 4.420 nan 0.000 0.274 830 P C 0.643 178.100 177.300 0.262 0.000 1.246 830 P CA -0.212 63.079 63.100 0.318 0.000 0.795 830 P CB 0.804 32.782 31.700 0.462 0.000 1.006 831 Y N 0.967 121.352 120.300 0.142 0.000 2.070 831 Y HA -0.162 4.387 4.550 -0.001 0.000 0.279 831 Y C 0.825 176.804 175.900 0.132 0.000 1.134 831 Y CA 1.749 59.922 58.100 0.122 0.000 1.113 831 Y CB 0.071 38.598 38.460 0.110 0.000 0.981 831 Y HN 0.458 nan 8.280 nan 0.000 0.487 832 S N -0.462 115.173 115.700 -0.108 0.000 2.595 832 S HA 0.691 5.161 4.470 -0.001 0.000 0.281 832 S C -1.479 173.129 174.600 0.013 0.000 1.117 832 S CA -0.801 57.278 58.200 -0.201 0.000 0.873 832 S CB 2.170 65.161 63.200 -0.348 0.000 1.108 832 S HN 0.031 nan 8.310 nan 0.000 0.477 833 V N 1.770 121.683 119.914 -0.002 0.000 2.760 833 V HA 0.488 4.607 4.120 -0.001 0.000 0.309 833 V C -0.343 175.762 176.094 0.018 0.000 1.077 833 V CA -0.731 61.592 62.300 0.038 0.000 0.910 833 V CB 2.051 33.892 31.823 0.030 0.000 1.008 833 V HN 0.925 nan 8.190 nan 0.000 0.424 834 V N 4.413 124.350 119.914 0.038 0.000 2.881 834 V HA 0.306 4.426 4.120 -0.001 0.000 0.303 834 V C 0.733 176.833 176.094 0.011 0.000 1.070 834 V CA -0.314 62.003 62.300 0.028 0.000 1.074 834 V CB 1.277 33.127 31.823 0.045 0.000 1.012 834 V HN 0.941 nan 8.190 nan 0.000 0.482 835 R N 2.760 123.254 120.500 -0.010 0.000 2.570 835 R HA 0.353 4.693 4.340 -0.001 0.000 0.277 835 R C 1.107 177.397 176.300 -0.016 0.000 1.039 835 R CA 0.972 57.057 56.100 -0.025 0.000 1.065 835 R CB -0.009 30.264 30.300 -0.046 0.000 0.964 835 R HN 1.109 nan 8.270 nan 0.000 0.428 836 G N 2.258 111.049 108.800 -0.016 0.000 2.205 836 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.261 836 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.261 836 G C -0.047 174.908 174.900 0.091 0.000 0.980 836 G CA 0.437 45.524 45.100 -0.022 0.000 0.632 836 G HN 0.671 nan 8.290 nan 0.000 0.533 837 E N 0.716 120.973 120.200 0.095 0.000 2.344 837 E HA 0.456 4.805 4.350 -0.001 0.000 0.270 837 E C 0.494 177.171 176.600 0.129 0.000 1.021 837 E CA -0.076 56.406 56.400 0.136 0.000 0.887 837 E CB 0.429 30.174 29.700 0.075 0.000 0.997 837 E HN 0.387 nan 8.360 nan 0.000 0.429 838 Q N 4.249 124.133 119.800 0.141 0.000 2.406 838 Q HA 0.270 4.609 4.340 -0.001 0.000 0.242 838 Q C -0.997 174.968 176.000 -0.058 0.000 1.036 838 Q CA -0.611 55.221 55.803 0.047 0.000 0.904 838 Q CB 0.423 29.160 28.738 -0.002 0.000 1.244 838 Q HN 0.497 nan 8.270 nan 0.000 0.478 839 I N 2.583 123.102 120.570 -0.085 0.000 2.488 839 I HA 0.127 4.297 4.170 -0.001 0.000 0.299 839 I C -0.560 175.409 176.117 -0.247 0.000 0.984 839 I CA -0.049 61.118 61.300 -0.222 0.000 1.250 839 I CB 1.746 39.622 38.000 -0.207 0.000 1.389 839 I HN 0.573 nan 8.210 nan 0.000 0.488 840 Q N 7.140 126.678 119.800 -0.438 0.000 2.431 840 Q HA 0.373 4.713 4.340 -0.001 0.000 0.249 840 Q C -1.437 174.401 176.000 -0.270 0.000 1.025 840 Q CA -0.575 55.065 55.803 -0.271 0.000 0.835 840 Q CB 0.698 29.326 28.738 -0.183 0.000 1.207 840 Q HN 0.619 nan 8.270 nan 0.000 0.490 841 L N 4.805 125.998 121.223 -0.050 0.000 2.433 841 L HA 0.180 4.519 4.340 -0.001 0.000 0.284 841 L C 0.510 177.466 176.870 0.144 0.000 1.120 841 L CA 0.257 55.140 54.840 0.072 0.000 0.879 841 L CB 0.044 42.225 42.059 0.203 0.000 1.232 841 L HN 0.457 nan 8.230 nan 0.000 0.454 842 K N 2.115 122.586 120.400 0.119 0.000 2.731 842 K HA 0.785 5.105 4.320 -0.001 0.000 0.284 842 K C 0.312 176.942 176.600 0.049 0.000 1.027 842 K CA -0.380 55.964 56.287 0.095 0.000 1.040 842 K CB 0.809 33.381 32.500 0.120 0.000 1.334 842 K HN 0.648 nan 8.250 nan 0.000 0.498 843 G N -0.064 108.742 108.800 0.010 0.000 2.316 843 G HA2 0.105 4.064 3.960 -0.001 0.000 0.468 843 G HA3 0.105 4.064 3.960 -0.001 0.000 0.468 843 G C -1.077 173.759 174.900 -0.108 0.000 1.523 843 G CA -0.590 44.480 45.100 -0.051 0.000 0.972 843 G HN 0.610 nan 8.290 nan 0.000 0.667 844 T N -2.147 112.283 114.554 -0.207 0.000 2.908 844 T HA 0.790 5.140 4.350 -0.001 0.000 0.290 844 T C -0.618 173.695 174.700 -0.644 0.000 1.034 844 T CA -0.382 61.478 62.100 -0.399 0.000 1.010 844 T CB 2.049 70.638 68.868 -0.466 0.000 1.068 844 T HN 1.935 nan 8.240 nan 0.000 0.481 845 V N 3.665 123.168 119.914 -0.686 0.000 2.435 845 V HA 0.572 4.691 4.120 -0.001 0.000 0.290 845 V C -1.643 173.932 176.094 -0.865 0.000 1.030 845 V CA -0.895 60.957 62.300 -0.748 0.000 0.881 845 V CB 0.651 31.968 31.823 -0.844 0.000 0.983 845 V HN 0.945 nan 8.190 nan 0.000 0.445 846 Y N 5.537 125.421 120.300 -0.693 0.000 2.342 846 Y HA 0.466 5.016 4.550 -0.001 0.000 0.338 846 Y C 0.371 175.861 175.900 -0.683 0.000 0.965 846 Y CA -0.436 57.170 58.100 -0.823 0.000 1.159 846 Y CB 1.436 39.096 38.460 -1.332 0.000 1.157 846 Y HN 0.702 nan 8.280 nan 0.000 0.486 847 N N 2.670 121.204 118.700 -0.276 0.000 2.511 847 N HA 0.151 4.891 4.740 -0.001 0.000 0.249 847 N C -0.740 174.799 175.510 0.049 0.000 0.971 847 N CA -0.379 52.612 53.050 -0.098 0.000 0.938 847 N CB 0.421 38.888 38.487 -0.033 0.000 1.131 847 N HN 0.461 nan 8.380 nan 0.000 0.505 848 Y N 1.379 121.810 120.300 0.219 0.000 2.462 848 Y HA 0.297 4.847 4.550 -0.001 0.000 0.261 848 Y C 0.935 176.967 175.900 0.220 0.000 1.146 848 Y CA -0.291 57.956 58.100 0.245 0.000 1.283 848 Y CB -0.174 38.526 38.460 0.399 0.000 1.090 848 Y HN 0.463 nan 8.280 nan 0.000 0.526 849 R N 1.110 121.824 120.500 0.357 0.000 2.640 849 R HA -0.046 4.294 4.340 -0.001 0.000 0.270 849 R C 1.427 177.847 176.300 0.200 0.000 1.024 849 R CA 1.070 57.327 56.100 0.262 0.000 1.085 849 R CB 0.350 30.779 30.300 0.215 0.000 0.963 849 R HN 0.340 nan 8.270 nan 0.000 0.426 850 T N -0.139 114.512 114.554 0.162 0.000 2.778 850 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 850 T C 0.887 175.658 174.700 0.119 0.000 1.050 850 T CA 1.269 63.442 62.100 0.123 0.000 1.137 850 T CB -0.448 68.478 68.868 0.097 0.000 0.860 850 T HN 0.620 nan 8.240 nan 0.000 0.468 851 S N 0.163 115.943 115.700 0.133 0.000 2.718 851 S HA 0.740 5.210 4.470 -0.001 0.000 0.300 851 S C 0.439 175.122 174.600 0.139 0.000 1.117 851 S CA -0.666 57.612 58.200 0.131 0.000 1.002 851 S CB 1.549 64.833 63.200 0.141 0.000 1.092 851 S HN 0.523 nan 8.310 nan 0.000 0.542 852 G N -0.009 108.868 108.800 0.127 0.000 2.588 852 G HA2 0.650 4.609 3.960 -0.001 0.000 0.281 852 G HA3 0.650 4.609 3.960 -0.001 0.000 0.281 852 G C -0.376 174.586 174.900 0.103 0.000 1.236 852 G CA -0.768 44.395 45.100 0.106 0.000 0.969 852 G HN 1.157 nan 8.290 nan 0.000 0.504 853 M N -2.046 117.572 119.600 0.029 0.000 2.949 853 M HA 0.489 4.968 4.480 -0.001 0.000 0.270 853 M C -1.892 174.314 176.300 -0.157 0.000 1.221 853 M CA -0.951 54.285 55.300 -0.105 0.000 0.818 853 M CB 1.778 34.321 32.600 -0.095 0.000 1.635 853 M HN 0.369 nan 8.290 nan 0.000 0.492 854 Q N 1.589 121.177 119.800 -0.353 0.000 2.322 854 Q HA 0.651 4.990 4.340 -0.001 0.000 0.265 854 Q C -1.444 174.419 176.000 -0.228 0.000 0.985 854 Q CA -0.634 54.983 55.803 -0.309 0.000 0.849 854 Q CB 2.193 30.702 28.738 -0.381 0.000 1.274 854 Q HN 0.595 nan 8.270 nan 0.000 0.449 855 F N -0.964 118.842 119.950 -0.241 0.000 2.656 855 F HA 0.835 5.362 4.527 -0.000 0.000 0.394 855 F C -0.344 175.376 175.800 -0.135 0.000 1.168 855 F CA -1.344 56.550 58.000 -0.177 0.000 1.135 855 F CB 1.120 40.036 39.000 -0.141 0.000 1.480 855 F HN 0.488 nan 8.300 nan 0.000 0.500 856 c N 2.611 121.267 118.600 0.093 0.000 3.149 856 c HA 0.488 5.058 4.570 -0.001 0.000 0.383 856 c C -0.811 173.385 174.090 0.175 0.000 1.018 856 c CA -0.610 55.714 56.329 -0.008 0.000 1.293 856 c CB -0.713 41.754 42.510 -0.071 0.000 1.640 856 c HN 0.963 nan 8.230 nan 0.000 0.546 857 V N 3.609 123.700 119.914 0.295 0.000 2.614 857 V HA 0.649 4.769 4.120 -0.001 0.000 0.291 857 V C -0.110 176.193 176.094 0.348 0.000 1.049 857 V CA 0.214 62.728 62.300 0.357 0.000 1.038 857 V CB 1.064 33.173 31.823 0.478 0.000 0.980 857 V HN 0.925 nan 8.190 nan 0.000 0.481 858 K N 5.206 125.774 120.400 0.281 0.000 2.637 858 K HA 0.599 4.919 4.320 -0.001 0.000 0.248 858 K C -0.775 175.799 176.600 -0.042 0.000 0.971 858 K CA -0.740 55.650 56.287 0.172 0.000 0.858 858 K CB 2.009 34.557 32.500 0.080 0.000 1.170 858 K HN 0.878 nan 8.250 nan 0.000 0.443 859 M N 2.753 122.180 119.600 -0.289 0.000 2.211 859 M HA 0.164 4.643 4.480 -0.001 0.000 0.356 859 M C -0.621 175.392 176.300 -0.477 0.000 1.216 859 M CA 0.043 54.875 55.300 -0.779 0.000 1.134 859 M CB 1.571 33.321 32.600 -1.416 0.000 1.564 859 M HN 0.784 nan 8.290 nan 0.000 0.463 860 S N 4.084 119.484 115.700 -0.501 0.000 2.439 860 S HA 0.569 5.039 4.470 -0.001 0.000 0.282 860 S C -0.067 174.376 174.600 -0.261 0.000 1.170 860 S CA -0.629 57.395 58.200 -0.293 0.000 1.054 860 S CB 0.238 63.299 63.200 -0.232 0.000 0.956 860 S HN 0.852 nan 8.310 nan 0.000 0.490 861 A N 5.135 127.850 122.820 -0.174 0.000 2.492 861 A HA 0.521 4.840 4.320 -0.001 0.000 0.254 861 A C -0.076 177.444 177.584 -0.106 0.000 1.091 861 A CA -0.361 51.597 52.037 -0.131 0.000 0.768 861 A CB 0.070 19.017 19.000 -0.087 0.000 1.028 861 A HN 0.801 nan 8.150 nan 0.000 0.498 862 V N 3.055 122.910 119.914 -0.099 0.000 2.667 862 V HA 0.207 4.327 4.120 -0.001 0.000 0.308 862 V C 1.372 177.432 176.094 -0.056 0.000 1.048 862 V CA -0.625 61.632 62.300 -0.073 0.000 0.928 862 V CB 1.542 33.323 31.823 -0.070 0.000 1.004 862 V HN 1.087 nan 8.190 nan 0.000 0.444 863 E N 3.449 123.622 120.200 -0.045 0.000 2.149 863 E HA -0.264 4.085 4.350 -0.001 0.000 0.215 863 E C 1.900 178.477 176.600 -0.040 0.000 1.055 863 E CA 2.203 58.581 56.400 -0.038 0.000 0.870 863 E CB -0.190 29.491 29.700 -0.031 0.000 0.764 863 E HN 0.960 nan 8.360 nan 0.000 0.463 864 G N -0.109 108.664 108.800 -0.044 0.000 3.088 864 G HA2 0.221 4.180 3.960 -0.001 0.000 0.212 864 G HA3 0.221 4.180 3.960 -0.001 0.000 0.212 864 G C 0.643 175.515 174.900 -0.047 0.000 1.173 864 G CA -0.225 44.847 45.100 -0.046 0.000 0.779 864 G HN 0.056 nan 8.290 nan 0.000 0.540 865 I N 0.590 121.132 120.570 -0.047 0.000 2.466 865 I HA 0.246 4.415 4.170 -0.001 0.000 0.289 865 I C -0.152 175.943 176.117 -0.036 0.000 1.026 865 I CA -1.017 60.257 61.300 -0.043 0.000 1.078 865 I CB 2.060 40.029 38.000 -0.052 0.000 1.249 865 I HN -0.177 nan 8.210 nan 0.000 0.429 866 c N 4.323 122.910 118.600 -0.022 0.000 2.657 866 c HA 0.597 5.167 4.570 -0.001 0.000 0.404 866 c C 0.943 175.028 174.090 -0.008 0.000 1.291 866 c CA 0.118 56.440 56.329 -0.012 0.000 2.218 866 c CB 0.154 42.666 42.510 0.003 0.000 2.687 866 c HN 0.929 nan 8.230 nan 0.000 0.634 867 T N -0.568 113.984 114.554 -0.003 0.000 2.665 867 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 867 T C 0.613 175.324 174.700 0.018 0.000 1.334 867 T CA -0.479 61.627 62.100 0.010 0.000 1.011 867 T CB 0.812 69.675 68.868 -0.008 0.000 1.573 867 T HN 0.408 nan 8.240 nan 0.000 0.492 868 S N 0.472 116.193 115.700 0.035 0.000 2.404 868 S HA -0.013 4.456 4.470 -0.001 0.000 0.216 868 S C 0.456 175.065 174.600 0.014 0.000 1.039 868 S CA 1.107 59.324 58.200 0.028 0.000 1.062 868 S CB -0.522 62.703 63.200 0.042 0.000 1.046 868 S HN 0.717 nan 8.310 nan 0.000 0.415 869 E N 1.692 121.900 120.200 0.014 0.000 2.081 869 E HA 0.429 4.779 4.350 -0.001 0.000 0.281 869 E C -1.075 175.519 176.600 -0.010 0.000 0.986 869 E CA -0.324 56.077 56.400 0.002 0.000 0.796 869 E CB 0.973 30.675 29.700 0.003 0.000 1.085 869 E HN 0.383 nan 8.360 nan 0.000 0.398 870 S N 2.623 118.315 115.700 -0.013 0.000 2.481 870 S HA 0.329 4.799 4.470 -0.001 0.000 0.262 870 S C -2.228 172.361 174.600 -0.020 0.000 1.061 870 S CA -1.354 56.833 58.200 -0.022 0.000 1.039 870 S CB 0.340 63.523 63.200 -0.028 0.000 1.170 870 S HN 0.257 nan 8.310 nan 0.000 0.437 883 c N 6.241 124.841 118.600 -0.000 0.000 2.311 883 c HA 0.453 5.022 4.570 -0.001 0.000 0.357 883 c C 0.471 174.530 174.090 -0.052 0.000 1.086 883 c CA -0.389 55.929 56.329 -0.017 0.000 1.486 883 c CB -1.686 40.806 42.510 -0.030 0.000 1.974 883 c HN 0.436 nan 8.230 nan 0.000 0.508 884 V N 5.918 125.796 119.914 -0.060 0.000 2.056 884 V HA 0.294 4.413 4.120 -0.001 0.000 0.267 884 V C 0.826 176.796 176.094 -0.207 0.000 1.535 884 V CA -0.561 61.673 62.300 -0.109 0.000 1.475 884 V CB -0.946 30.821 31.823 -0.095 0.000 1.441 884 V HN 0.879 nan 8.190 nan 0.000 0.500 885 R N 1.295 121.659 120.500 -0.227 0.000 2.473 885 R HA 0.314 4.653 4.340 -0.001 0.000 0.315 885 R C 0.011 176.022 176.300 -0.482 0.000 0.972 885 R CA -0.052 55.830 56.100 -0.363 0.000 1.047 885 R CB 0.305 30.444 30.300 -0.267 0.000 0.932 885 R HN 0.670 nan 8.270 nan 0.000 0.411 886 Q N 2.666 121.939 119.800 -0.879 0.000 2.547 886 Q HA 0.361 4.701 4.340 -0.001 0.000 0.181 886 Q C -1.071 174.476 176.000 -0.755 0.000 1.005 886 Q CA -0.496 54.809 55.803 -0.830 0.000 1.005 886 Q CB 1.131 29.289 28.738 -0.968 0.000 1.574 886 Q HN 0.612 nan 8.270 nan 0.000 0.499 887 K N 0.202 120.256 120.400 -0.577 0.000 2.640 887 K HA 0.357 4.677 4.320 -0.001 0.000 0.245 887 K C -1.580 174.859 176.600 -0.267 0.000 0.962 887 K CA -0.523 55.580 56.287 -0.308 0.000 0.896 887 K CB 1.501 33.895 32.500 -0.176 0.000 1.147 887 K HN 0.352 nan 8.250 nan 0.000 0.445 888 V N 0.249 120.169 119.914 0.010 0.000 2.405 888 V HA 0.238 4.358 4.120 -0.001 0.000 0.264 888 V C 0.189 176.331 176.094 0.079 0.000 1.048 888 V CA -0.691 61.639 62.300 0.049 0.000 0.966 888 V CB -0.075 31.755 31.823 0.012 0.000 1.015 888 V HN 0.612 nan 8.190 nan 0.000 0.477 889 E N 3.423 123.710 120.200 0.145 0.000 2.418 889 E HA 0.354 4.704 4.350 -0.001 0.000 0.261 889 E C 0.991 177.660 176.600 0.115 0.000 1.070 889 E CA 0.122 56.597 56.400 0.125 0.000 0.931 889 E CB 0.566 30.352 29.700 0.144 0.000 0.954 889 E HN 0.982 nan 8.360 nan 0.000 0.439 890 G N 1.056 109.920 108.800 0.106 0.000 2.202 890 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.251 890 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.251 890 G C 0.073 175.049 174.900 0.128 0.000 1.219 890 G CA -0.097 45.071 45.100 0.114 0.000 0.943 890 G HN 0.474 nan 8.290 nan 0.000 0.465 891 S N 0.306 116.102 115.700 0.159 0.000 3.608 891 S HA -0.152 4.318 4.470 -0.001 0.000 0.382 891 S C 0.779 175.503 174.600 0.206 0.000 0.945 891 S CA 1.064 59.393 58.200 0.214 0.000 1.256 891 S CB -1.391 61.913 63.200 0.172 0.000 0.913 891 S HN 1.027 nan 8.310 nan 0.000 0.518 892 S N -0.847 114.953 115.700 0.168 0.000 2.873 892 S HA 0.818 5.287 4.470 -0.001 0.000 0.303 892 S C -0.405 174.254 174.600 0.098 0.000 1.222 892 S CA -0.126 58.165 58.200 0.153 0.000 0.923 892 S CB 2.014 65.294 63.200 0.134 0.000 1.286 892 S HN 0.429 nan 8.310 nan 0.000 0.571 893 S N -0.933 114.818 115.700 0.085 0.000 2.704 893 S HA 0.758 5.228 4.470 -0.001 0.000 0.296 893 S C -2.104 172.495 174.600 -0.002 0.000 1.138 893 S CA -0.336 57.831 58.200 -0.056 0.000 0.875 893 S CB 1.337 64.472 63.200 -0.107 0.000 1.151 893 S HN 0.661 nan 8.310 nan 0.000 0.500 894 H N 0.809 119.733 119.070 -0.244 0.000 3.240 894 H HA 0.432 4.988 4.556 -0.001 0.000 0.326 894 H C -0.858 174.378 175.328 -0.153 0.000 1.015 894 H CA -0.407 55.568 56.048 -0.122 0.000 1.504 894 H CB 0.542 30.295 29.762 -0.014 0.000 1.754 894 H HN 0.507 nan 8.280 nan 0.000 0.505 895 L N 3.618 124.764 121.223 -0.129 0.000 2.573 895 L HA 0.077 4.416 4.340 -0.001 0.000 0.290 895 L C -0.287 176.553 176.870 -0.049 0.000 1.247 895 L CA 0.540 55.316 54.840 -0.108 0.000 0.876 895 L CB 0.129 42.104 42.059 -0.140 0.000 1.123 895 L HN 0.315 nan 8.230 nan 0.000 0.505 896 V N 1.367 121.240 119.914 -0.069 0.000 2.760 896 V HA 0.635 4.755 4.120 -0.001 0.000 0.309 896 V C -0.146 175.889 176.094 -0.097 0.000 1.077 896 V CA -0.497 61.762 62.300 -0.068 0.000 0.910 896 V CB 2.230 34.048 31.823 -0.009 0.000 1.008 896 V HN 0.907 nan 8.190 nan 0.000 0.424 897 T N 1.252 115.662 114.554 -0.240 0.000 2.916 897 T HA 0.841 5.190 4.350 -0.001 0.000 0.305 897 T C -1.253 173.193 174.700 -0.423 0.000 1.119 897 T CA -0.503 61.493 62.100 -0.173 0.000 1.008 897 T CB 1.716 70.523 68.868 -0.102 0.000 1.129 897 T HN 0.224 nan 8.240 nan 0.000 0.480 898 F N 0.843 120.824 119.950 0.053 0.000 2.588 898 F HA 0.646 5.173 4.527 -0.001 0.000 0.314 898 F C 0.430 176.232 175.800 0.003 0.000 1.069 898 F CA -0.954 57.076 58.000 0.051 0.000 0.931 898 F CB 2.735 41.802 39.000 0.112 0.000 1.260 898 F HN 0.781 nan 8.300 nan 0.000 0.465 899 T N 0.432 115.082 114.554 0.161 0.000 2.821 899 T HA 0.649 4.999 4.350 -0.001 0.000 0.307 899 T C -0.494 174.242 174.700 0.061 0.000 1.034 899 T CA -0.687 61.449 62.100 0.059 0.000 0.953 899 T CB 0.536 69.407 68.868 0.005 0.000 0.968 899 T HN 0.637 nan 8.240 nan 0.000 0.462 900 V N 1.767 121.703 119.914 0.037 0.000 3.234 900 V HA 0.958 5.078 4.120 -0.001 0.000 0.317 900 V C -0.655 175.443 176.094 0.006 0.000 1.147 900 V CA -1.498 60.813 62.300 0.019 0.000 1.037 900 V CB 1.730 33.556 31.823 0.005 0.000 1.148 900 V HN 1.079 nan 8.190 nan 0.000 0.455 901 L N 0.906 122.134 121.223 0.009 0.000 2.753 901 L HA 0.673 5.013 4.340 -0.001 0.000 0.259 901 L C -3.105 173.766 176.870 0.003 0.000 0.958 901 L CA -1.043 53.810 54.840 0.022 0.000 0.955 901 L CB 2.252 44.352 42.059 0.067 0.000 1.317 901 L HN 0.571 nan 8.230 nan 0.000 0.436 902 P HA 0.275 nan 4.420 nan 0.000 0.280 902 P C -0.150 177.129 177.300 -0.034 0.000 1.244 902 P CA -0.550 62.531 63.100 -0.031 0.000 0.784 902 P CB 1.205 32.880 31.700 -0.042 0.000 0.913 903 L N 1.121 122.317 121.223 -0.043 0.000 2.347 903 L HA 0.202 4.542 4.340 -0.001 0.000 0.196 903 L C 0.845 177.681 176.870 -0.057 0.000 1.072 903 L CA 1.286 56.097 54.840 -0.049 0.000 0.817 903 L CB -1.331 40.700 42.059 -0.047 0.000 1.029 903 L HN 0.405 nan 8.230 nan 0.000 0.478 904 E N 1.473 121.636 120.200 -0.061 0.000 2.257 904 E HA 0.226 4.576 4.350 -0.001 0.000 0.278 904 E C -0.078 176.467 176.600 -0.091 0.000 1.049 904 E CA -0.269 56.090 56.400 -0.069 0.000 0.876 904 E CB 1.266 30.928 29.700 -0.064 0.000 1.035 904 E HN 0.153 nan 8.360 nan 0.000 0.419 905 I N 1.751 122.265 120.570 -0.093 0.000 2.993 905 I HA -0.079 4.090 4.170 -0.001 0.000 0.286 905 I C 1.746 177.775 176.117 -0.147 0.000 1.215 905 I CA 0.792 62.024 61.300 -0.113 0.000 1.393 905 I CB 0.280 38.211 38.000 -0.114 0.000 1.371 905 I HN 0.913 nan 8.210 nan 0.000 0.602 906 G N 3.948 112.638 108.800 -0.184 0.000 2.530 906 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.247 906 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.247 906 G C 0.339 174.854 174.900 -0.642 0.000 1.067 906 G CA 0.475 45.407 45.100 -0.279 0.000 0.650 906 G HN 0.580 nan 8.290 nan 0.000 0.531 907 L N 1.962 122.945 121.223 -0.400 0.000 2.605 907 L HA 0.422 4.762 4.340 -0.001 0.000 0.296 907 L C 0.709 177.265 176.870 -0.523 0.000 1.255 907 L CA 0.814 55.438 54.840 -0.360 0.000 0.879 907 L CB 0.127 42.089 42.059 -0.163 0.000 1.124 907 L HN 0.526 nan 8.230 nan 0.000 0.507 908 H N 2.437 121.499 119.070 -0.014 0.000 3.690 908 H HA 0.477 5.032 4.556 -0.001 0.000 0.330 908 H C -0.185 175.135 175.328 -0.013 0.000 1.693 908 H CA -0.610 55.433 56.048 -0.008 0.000 1.349 908 H CB 0.312 30.074 29.762 -0.000 0.000 1.539 908 H HN 0.834 nan 8.280 nan 0.000 0.757 909 N N 0.155 118.950 118.700 0.158 0.000 2.883 909 N HA -0.167 4.572 4.740 -0.001 0.000 0.277 909 N C -1.734 173.778 175.510 0.004 0.000 1.707 909 N CA 0.077 53.166 53.050 0.064 0.000 1.494 909 N CB -0.383 38.130 38.487 0.044 0.000 0.821 909 N HN 0.458 nan 8.380 nan 0.000 0.482 910 I N 2.173 122.739 120.570 -0.007 0.000 2.571 910 I HA 0.240 4.410 4.170 -0.001 0.000 0.286 910 I C -0.807 175.212 176.117 -0.164 0.000 1.134 910 I CA -0.776 60.446 61.300 -0.130 0.000 1.052 910 I CB 1.820 39.749 38.000 -0.118 0.000 1.237 910 I HN 0.411 nan 8.210 nan 0.000 0.435 911 N N 5.123 123.656 118.700 -0.280 0.000 2.508 911 N HA 0.700 5.439 4.740 -0.001 0.000 0.285 911 N C -1.308 173.908 175.510 -0.491 0.000 1.144 911 N CA -0.002 52.927 53.050 -0.201 0.000 0.978 911 N CB 1.024 39.442 38.487 -0.115 0.000 1.180 911 N HN 0.267 nan 8.380 nan 0.000 0.484 912 F N -0.702 119.207 119.950 -0.068 0.000 2.576 912 F HA 0.587 5.114 4.527 -0.001 0.000 0.313 912 F C 0.371 176.164 175.800 -0.011 0.000 1.078 912 F CA -0.726 57.230 58.000 -0.073 0.000 0.921 912 F CB 2.110 41.077 39.000 -0.056 0.000 1.232 912 F HN 0.261 nan 8.300 nan 0.000 0.459 913 S N 2.233 118.043 115.700 0.184 0.000 2.595 913 S HA 0.939 5.409 4.470 -0.001 0.000 0.281 913 S C -1.881 172.813 174.600 0.157 0.000 1.117 913 S CA -0.575 57.704 58.200 0.132 0.000 0.873 913 S CB 1.363 64.604 63.200 0.068 0.000 1.108 913 S HN 0.560 nan 8.310 nan 0.000 0.477 914 L N 0.533 121.830 121.223 0.123 0.000 2.465 914 L HA 0.902 5.242 4.340 -0.001 0.000 0.257 914 L C -1.173 175.750 176.870 0.089 0.000 0.988 914 L CA -0.792 54.127 54.840 0.132 0.000 0.827 914 L CB 0.962 43.098 42.059 0.129 0.000 1.397 914 L HN 0.541 nan 8.230 nan 0.000 0.410 915 E N -0.090 120.157 120.200 0.078 0.000 2.317 915 E HA 0.902 5.251 4.350 -0.001 0.000 0.270 915 E C -0.946 175.648 176.600 -0.011 0.000 0.885 915 E CA -0.579 55.836 56.400 0.025 0.000 0.760 915 E CB 2.546 32.241 29.700 -0.009 0.000 1.227 915 E HN 0.869 nan 8.360 nan 0.000 0.434 916 T N -0.859 113.678 114.554 -0.028 0.000 2.647 916 T HA 0.316 4.665 4.350 -0.001 0.000 0.295 916 T C -0.998 173.686 174.700 -0.026 0.000 1.126 916 T CA -0.995 61.041 62.100 -0.108 0.000 1.040 916 T CB 0.276 69.124 68.868 -0.033 0.000 1.472 916 T HN 0.302 nan 8.240 nan 0.000 0.500 917 W N 1.963 123.310 121.300 0.077 0.000 2.712 917 W HA 0.233 4.892 4.660 -0.001 0.000 0.345 917 W C 0.091 176.745 176.519 0.224 0.000 1.424 917 W CA -0.829 56.585 57.345 0.115 0.000 1.375 917 W CB -1.603 27.946 29.460 0.149 0.000 1.483 917 W HN 0.713 nan 8.180 nan 0.000 0.561 918 F N 0.526 120.613 119.950 0.229 0.000 3.100 918 F HA -0.232 4.294 4.527 -0.001 0.000 0.284 918 F C 1.178 177.045 175.800 0.111 0.000 0.875 918 F CA 1.395 59.478 58.000 0.140 0.000 1.039 918 F CB -1.430 37.642 39.000 0.121 0.000 1.111 918 F HN 0.287 nan 8.300 nan 0.000 0.575 919 G N 0.823 109.744 108.800 0.202 0.000 2.530 919 G HA2 0.629 4.589 3.960 -0.001 0.000 0.316 919 G HA3 0.629 4.589 3.960 -0.001 0.000 0.316 919 G C -1.233 173.715 174.900 0.081 0.000 1.298 919 G CA -0.688 44.496 45.100 0.140 0.000 0.948 919 G HN 0.159 nan 8.290 nan 0.000 0.486 920 K N 1.315 121.761 120.400 0.077 0.000 2.587 920 K HA 0.409 4.728 4.320 -0.001 0.000 0.256 920 K C -1.750 174.887 176.600 0.062 0.000 0.974 920 K CA -0.582 55.740 56.287 0.058 0.000 0.855 920 K CB 2.246 34.770 32.500 0.040 0.000 1.292 920 K HN 0.541 nan 8.250 nan 0.000 0.444 921 E N 3.952 124.191 120.200 0.066 0.000 2.340 921 E HA 0.532 4.881 4.350 -0.001 0.000 0.273 921 E C -1.481 175.163 176.600 0.073 0.000 0.891 921 E CA -0.660 55.781 56.400 0.068 0.000 0.757 921 E CB 1.443 31.190 29.700 0.077 0.000 1.231 921 E HN 0.495 nan 8.360 nan 0.000 0.439 922 I N 3.790 124.400 120.570 0.067 0.000 2.465 922 I HA 0.391 4.561 4.170 -0.001 0.000 0.291 922 I C -1.212 174.955 176.117 0.083 0.000 1.014 922 I CA -1.213 60.130 61.300 0.072 0.000 1.093 922 I CB 1.645 39.673 38.000 0.047 0.000 1.267 922 I HN 0.458 nan 8.210 nan 0.000 0.431 923 L N 8.372 129.667 121.223 0.120 0.000 2.356 923 L HA 0.620 4.960 4.340 -0.001 0.000 0.277 923 L C -0.933 176.038 176.870 0.168 0.000 0.996 923 L CA -0.339 54.578 54.840 0.129 0.000 0.822 923 L CB 1.725 43.864 42.059 0.133 0.000 1.256 923 L HN 0.284 nan 8.230 nan 0.000 0.413 924 V N 4.081 124.066 119.914 0.118 0.000 2.713 924 V HA 0.734 4.854 4.120 -0.001 0.000 0.307 924 V C -0.020 176.154 176.094 0.133 0.000 1.052 924 V CA -0.680 61.689 62.300 0.115 0.000 0.967 924 V CB 1.612 33.470 31.823 0.058 0.000 1.019 924 V HN 0.831 nan 8.190 nan 0.000 0.459 925 K N 0.672 121.161 120.400 0.148 0.000 2.522 925 K HA 0.774 5.094 4.320 -0.001 0.000 0.275 925 K C -1.057 175.616 176.600 0.122 0.000 1.006 925 K CA -0.430 55.947 56.287 0.149 0.000 0.890 925 K CB 2.496 35.139 32.500 0.237 0.000 1.475 925 K HN 0.971 nan 8.250 nan 0.000 0.441 926 T N -0.958 113.668 114.554 0.120 0.000 2.916 926 T HA 0.495 4.845 4.350 -0.001 0.000 0.298 926 T C -1.124 173.673 174.700 0.162 0.000 1.031 926 T CA -0.808 61.377 62.100 0.142 0.000 0.993 926 T CB 0.772 69.702 68.868 0.103 0.000 1.045 926 T HN 0.362 nan 8.240 nan 0.000 0.454 927 L N 2.723 124.041 121.223 0.160 0.000 2.280 927 L HA 0.509 4.849 4.340 -0.001 0.000 0.287 927 L C 0.202 177.110 176.870 0.063 0.000 1.023 927 L CA -0.909 53.987 54.840 0.093 0.000 0.819 927 L CB 1.009 43.092 42.059 0.039 0.000 1.212 927 L HN 0.683 nan 8.230 nan 0.000 0.420 928 R N 2.982 123.512 120.500 0.049 0.000 2.347 928 R HA 0.408 4.748 4.340 -0.001 0.000 0.304 928 R C -0.916 175.331 176.300 -0.088 0.000 1.072 928 R CA -0.208 55.877 56.100 -0.025 0.000 0.980 928 R CB 1.094 31.323 30.300 -0.117 0.000 0.986 928 R HN 0.368 nan 8.270 nan 0.000 0.448 929 V N 4.055 123.894 119.914 -0.124 0.000 2.680 929 V HA 0.546 4.666 4.120 -0.001 0.000 0.309 929 V C -0.242 175.804 176.094 -0.080 0.000 1.052 929 V CA -0.783 61.458 62.300 -0.099 0.000 0.908 929 V CB 2.080 33.831 31.823 -0.120 0.000 1.001 929 V HN 0.415 nan 8.190 nan 0.000 0.431 930 V N 4.505 124.391 119.914 -0.047 0.000 3.078 930 V HA 0.549 4.668 4.120 -0.001 0.000 0.311 930 V C -2.419 173.662 176.094 -0.022 0.000 1.138 930 V CA -1.697 60.592 62.300 -0.018 0.000 1.007 930 V CB 2.638 34.483 31.823 0.037 0.000 1.045 930 V HN 0.727 nan 8.190 nan 0.000 0.432 931 P HA 0.454 nan 4.420 nan 0.000 0.323 931 P C -1.184 176.196 177.300 0.133 0.000 1.309 931 P CA -0.490 62.599 63.100 -0.019 0.000 0.739 931 P CB 0.589 32.144 31.700 -0.242 0.000 1.454 932 E N -0.901 119.404 120.200 0.175 0.000 2.593 932 E HA 0.576 4.926 4.350 -0.001 0.000 0.232 932 E C -0.725 176.067 176.600 0.320 0.000 1.026 932 E CA -0.397 56.122 56.400 0.198 0.000 0.772 932 E CB 0.170 29.913 29.700 0.072 0.000 1.310 932 E HN 0.723 nan 8.360 nan 0.000 0.413 933 G N 0.713 109.728 108.800 0.359 0.000 3.380 933 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.685 933 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.685 933 G C -0.757 174.219 174.900 0.127 0.000 1.136 933 G CA -0.921 44.376 45.100 0.329 0.000 1.011 933 G HN 0.315 nan 8.290 nan 0.000 0.471 934 V N 2.887 122.795 119.914 -0.009 0.000 2.266 934 V HA 0.521 4.640 4.120 -0.001 0.000 0.271 934 V C 0.143 176.142 176.094 -0.158 0.000 1.032 934 V CA -0.842 61.314 62.300 -0.240 0.000 0.806 934 V CB 1.201 32.849 31.823 -0.292 0.000 1.052 934 V HN 0.597 nan 8.190 nan 0.000 0.449 935 K N 4.238 124.566 120.400 -0.119 0.000 2.159 935 K HA 0.600 4.919 4.320 -0.001 0.000 0.266 935 K C 0.045 176.612 176.600 -0.054 0.000 0.975 935 K CA -0.503 55.750 56.287 -0.056 0.000 0.865 935 K CB 1.305 33.799 32.500 -0.009 0.000 1.087 935 K HN 0.747 nan 8.250 nan 0.000 0.446 936 R N 2.494 122.988 120.500 -0.010 0.000 2.409 936 R HA 0.330 4.670 4.340 -0.001 0.000 0.313 936 R C -0.917 175.415 176.300 0.054 0.000 0.953 936 R CA -0.590 55.512 56.100 0.003 0.000 0.849 936 R CB 1.110 31.400 30.300 -0.017 0.000 1.171 936 R HN 0.649 nan 8.270 nan 0.000 0.458 937 E N 2.573 122.794 120.200 0.036 0.000 2.191 937 E HA 0.261 4.611 4.350 -0.001 0.000 0.278 937 E C -0.439 176.154 176.600 -0.013 0.000 0.972 937 E CA -0.890 55.545 56.400 0.058 0.000 0.804 937 E CB 1.776 31.514 29.700 0.062 0.000 1.110 937 E HN 0.801 nan 8.360 nan 0.000 0.394 938 S N 1.337 117.040 115.700 0.005 0.000 2.800 938 S HA -0.076 4.393 4.470 -0.001 0.000 0.266 938 S C 1.021 175.590 174.600 -0.052 0.000 1.029 938 S CA -0.275 57.895 58.200 -0.050 0.000 1.302 938 S CB -0.916 62.282 63.200 -0.003 0.000 1.212 938 S HN 0.620 nan 8.310 nan 0.000 0.683 939 Y N 3.353 123.687 120.300 0.057 0.000 2.738 939 Y HA 0.206 4.755 4.550 -0.001 0.000 0.293 939 Y C 0.646 176.569 175.900 0.038 0.000 1.156 939 Y CA 0.153 58.280 58.100 0.044 0.000 1.410 939 Y CB -1.485 36.998 38.460 0.040 0.000 0.966 939 Y HN 0.410 nan 8.280 nan 0.000 0.568 940 S N 0.100 115.676 115.700 -0.207 0.000 2.548 940 S HA 0.729 5.198 4.470 -0.001 0.000 0.277 940 S C 0.226 174.875 174.600 0.081 0.000 1.315 940 S CA 0.033 58.232 58.200 -0.002 0.000 1.050 940 S CB 1.261 64.494 63.200 0.055 0.000 0.918 940 S HN 1.027 nan 8.310 nan 0.000 0.497 941 G N 0.725 109.647 108.800 0.204 0.000 2.338 941 G HA2 0.503 4.463 3.960 -0.001 0.000 0.295 941 G HA3 0.503 4.463 3.960 -0.001 0.000 0.295 941 G C -1.371 173.558 174.900 0.047 0.000 1.461 941 G CA -0.161 44.949 45.100 0.018 0.000 0.817 941 G HN 1.479 nan 8.290 nan 0.000 0.556 942 V N -1.725 118.168 119.914 -0.036 0.000 3.181 942 V HA 0.877 4.996 4.120 -0.001 0.000 0.307 942 V C -0.427 175.627 176.094 -0.068 0.000 1.310 942 V CA -1.044 61.247 62.300 -0.015 0.000 1.067 942 V CB 1.713 33.558 31.823 0.036 0.000 1.081 942 V HN 0.997 nan 8.190 nan 0.000 0.453 943 T N 2.329 116.861 114.554 -0.037 0.000 2.934 943 T HA 0.552 4.902 4.350 -0.001 0.000 0.328 943 T C -0.428 174.251 174.700 -0.035 0.000 1.068 943 T CA -0.256 61.810 62.100 -0.058 0.000 1.018 943 T CB 0.517 69.326 68.868 -0.097 0.000 1.009 943 T HN 0.492 nan 8.240 nan 0.000 0.471 944 L N 3.566 124.772 121.223 -0.029 0.000 2.534 944 L HA 0.298 4.638 4.340 -0.001 0.000 0.271 944 L C 0.305 177.158 176.870 -0.030 0.000 1.178 944 L CA 0.186 55.010 54.840 -0.026 0.000 0.907 944 L CB 0.106 42.146 42.059 -0.032 0.000 1.164 944 L HN 0.611 nan 8.230 nan 0.000 0.482 945 D N 5.143 125.534 120.400 -0.015 0.000 2.411 945 D HA 0.250 4.889 4.640 -0.001 0.000 0.239 945 D C -2.187 174.114 176.300 0.003 0.000 1.307 945 D CA -1.435 52.567 54.000 0.003 0.000 0.930 945 D CB 1.615 42.444 40.800 0.048 0.000 1.395 945 D HN 0.056 nan 8.370 nan 0.000 0.536 946 P HA 0.098 nan 4.420 nan 0.000 0.227 946 P C 0.837 178.145 177.300 0.013 0.000 1.161 946 P CA 0.300 63.383 63.100 -0.027 0.000 0.788 946 P CB 0.375 31.991 31.700 -0.140 0.000 0.822 947 R N -0.607 119.878 120.500 -0.026 0.000 2.426 947 R HA 0.303 4.643 4.340 -0.001 0.000 0.263 947 R C 1.220 177.548 176.300 0.047 0.000 0.961 947 R CA 0.560 56.675 56.100 0.024 0.000 1.086 947 R CB -0.762 29.515 30.300 -0.038 0.000 1.186 947 R HN 0.160 nan 8.270 nan 0.000 0.537 948 G N 2.102 110.932 108.800 0.050 0.000 2.200 948 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.268 948 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.268 948 G C 1.168 176.089 174.900 0.035 0.000 0.986 948 G CA 0.559 45.687 45.100 0.047 0.000 0.677 948 G HN 0.319 nan 8.290 nan 0.000 0.532 949 I N -0.991 119.601 120.570 0.037 0.000 2.161 949 I HA -0.280 3.890 4.170 -0.001 0.000 0.246 949 I C 2.061 178.083 176.117 -0.157 0.000 1.048 949 I CA 1.960 63.233 61.300 -0.045 0.000 1.314 949 I CB -1.045 36.959 38.000 0.006 0.000 1.014 949 I HN 0.378 nan 8.210 nan 0.000 0.418 950 Y N 0.758 121.045 120.300 -0.022 0.000 2.596 950 Y HA 0.374 4.924 4.550 -0.001 0.000 0.316 950 Y C 1.559 177.414 175.900 -0.076 0.000 1.156 950 Y CA 0.461 58.535 58.100 -0.044 0.000 1.300 950 Y CB 0.037 38.463 38.460 -0.056 0.000 1.130 950 Y HN 0.420 nan 8.280 nan 0.000 0.518 951 G N -0.071 108.736 108.800 0.010 0.000 2.168 951 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.197 951 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.197 951 G C 0.080 174.976 174.900 -0.007 0.000 0.997 951 G CA 0.026 45.116 45.100 -0.017 0.000 0.658 951 G HN 0.526 nan 8.290 nan 0.000 0.513 952 T N -0.976 113.585 114.554 0.012 0.000 3.094 952 T HA 0.468 4.818 4.350 -0.001 0.000 0.373 952 T C -0.799 173.918 174.700 0.029 0.000 1.806 952 T CA 0.147 62.255 62.100 0.015 0.000 1.107 952 T CB 0.613 69.484 68.868 0.005 0.000 1.632 952 T HN 1.739 nan 8.240 nan 0.000 0.488 953 I N 2.201 122.789 120.570 0.030 0.000 2.352 953 I HA 0.735 4.905 4.170 -0.001 0.000 0.290 953 I C -0.179 175.954 176.117 0.026 0.000 1.036 953 I CA -0.050 61.272 61.300 0.037 0.000 1.336 953 I CB 1.244 39.276 38.000 0.053 0.000 1.407 953 I HN 0.434 nan 8.210 nan 0.000 0.497 954 S N 7.235 122.948 115.700 0.020 0.000 2.423 954 S HA 0.482 4.952 4.470 -0.001 0.000 0.317 954 S C 0.403 175.002 174.600 -0.001 0.000 1.065 954 S CA -0.690 57.514 58.200 0.006 0.000 1.111 954 S CB 0.620 63.822 63.200 0.002 0.000 0.968 954 S HN 0.726 nan 8.310 nan 0.000 0.474 955 R N 2.374 122.872 120.500 -0.003 0.000 2.590 955 R HA 0.323 4.663 4.340 -0.001 0.000 0.410 955 R C -0.256 176.031 176.300 -0.022 0.000 1.010 955 R CA -0.136 55.959 56.100 -0.008 0.000 1.155 955 R CB 0.729 31.036 30.300 0.012 0.000 1.455 955 R HN 0.396 nan 8.270 nan 0.000 0.567 956 R N 0.555 121.036 120.500 -0.032 0.000 3.070 956 R HA 0.186 4.525 4.340 -0.001 0.000 0.249 956 R C -1.724 174.521 176.300 -0.092 0.000 1.124 956 R CA -0.536 55.532 56.100 -0.053 0.000 1.111 956 R CB 2.086 32.356 30.300 -0.050 0.000 1.268 956 R HN -0.100 nan 8.270 nan 0.000 0.466 957 K N 1.200 121.512 120.400 -0.146 0.000 2.395 957 K HA 0.362 4.682 4.320 -0.001 0.000 0.247 957 K C -1.417 174.934 176.600 -0.415 0.000 0.973 957 K CA -0.647 55.443 56.287 -0.328 0.000 0.828 957 K CB 2.269 34.471 32.500 -0.497 0.000 1.272 957 K HN 0.515 nan 8.250 nan 0.000 0.439 958 E N 3.284 123.188 120.200 -0.493 0.000 2.185 958 E HA 0.269 4.619 4.350 -0.001 0.000 0.261 958 E C -1.533 174.793 176.600 -0.455 0.000 0.879 958 E CA -0.671 55.529 56.400 -0.334 0.000 0.756 958 E CB 0.658 30.270 29.700 -0.147 0.000 1.152 958 E HN 0.387 nan 8.360 nan 0.000 0.416 959 F N 6.346 126.295 119.950 -0.002 0.000 2.334 959 F HA 0.380 4.907 4.527 -0.001 0.000 0.367 959 F C -2.056 173.771 175.800 0.044 0.000 1.115 959 F CA -1.948 56.048 58.000 -0.007 0.000 1.116 959 F CB 0.890 39.867 39.000 -0.038 0.000 1.230 959 F HN 0.320 nan 8.300 nan 0.000 0.484 960 P HA 0.251 nan 4.420 nan 0.000 0.289 960 P C -1.291 176.142 177.300 0.223 0.000 1.300 960 P CA -0.879 62.349 63.100 0.212 0.000 0.828 960 P CB 0.932 32.720 31.700 0.147 0.000 1.235 961 Y N 0.137 120.493 120.300 0.094 0.000 2.359 961 Y HA 0.290 4.840 4.550 -0.001 0.000 0.334 961 Y C 1.337 177.276 175.900 0.065 0.000 1.058 961 Y CA 0.174 58.320 58.100 0.076 0.000 1.244 961 Y CB 0.825 39.326 38.460 0.069 0.000 1.187 961 Y HN 0.164 nan 8.280 nan 0.000 0.510 962 R N 5.482 126.041 120.500 0.099 0.000 2.443 962 R HA 0.405 4.744 4.340 -0.001 0.000 0.287 962 R C -1.646 174.701 176.300 0.079 0.000 1.425 962 R CA -0.327 55.832 56.100 0.098 0.000 1.300 962 R CB -0.073 30.274 30.300 0.079 0.000 1.129 962 R HN 0.699 nan 8.270 nan 0.000 0.577 963 I N 5.653 126.297 120.570 0.125 0.000 2.421 963 I HA 0.181 4.351 4.170 -0.001 0.000 0.291 963 I C -1.676 174.492 176.117 0.085 0.000 1.089 963 I CA -1.878 59.489 61.300 0.112 0.000 1.354 963 I CB 0.654 38.742 38.000 0.146 0.000 1.413 963 I HN 0.357 nan 8.210 nan 0.000 0.513 964 P HA 0.089 nan 4.420 nan 0.000 0.267 964 P C 0.704 178.046 177.300 0.070 0.000 1.209 964 P CA -0.226 62.917 63.100 0.071 0.000 0.763 964 P CB 0.634 32.376 31.700 0.070 0.000 0.816 965 L N 1.535 122.796 121.223 0.064 0.000 2.633 965 L HA -0.084 4.256 4.340 -0.001 0.000 0.235 965 L C 0.667 177.572 176.870 0.058 0.000 1.163 965 L CA 1.103 55.977 54.840 0.057 0.000 0.859 965 L CB -0.356 41.733 42.059 0.050 0.000 0.973 965 L HN 0.375 nan 8.230 nan 0.000 0.451 966 D N -0.263 120.177 120.400 0.068 0.000 2.395 966 D HA 0.112 4.751 4.640 -0.001 0.000 0.213 966 D C 0.433 176.783 176.300 0.084 0.000 1.110 966 D CA -0.190 53.855 54.000 0.076 0.000 0.835 966 D CB 0.482 41.336 40.800 0.090 0.000 0.965 966 D HN 0.060 nan 8.370 nan 0.000 0.505 967 L N 2.038 123.308 121.223 0.079 0.000 2.525 967 L HA 0.011 4.351 4.340 -0.001 0.000 0.278 967 L C 0.146 177.060 176.870 0.074 0.000 1.218 967 L CA -0.253 54.638 54.840 0.086 0.000 0.878 967 L CB 0.646 42.753 42.059 0.080 0.000 1.127 967 L HN -0.135 nan 8.230 nan 0.000 0.492 968 V N 4.461 124.427 119.914 0.086 0.000 2.529 968 V HA 0.277 4.397 4.120 -0.001 0.000 0.292 968 V C -2.008 174.103 176.094 0.029 0.000 1.028 968 V CA -1.512 60.821 62.300 0.054 0.000 1.074 968 V CB -0.482 31.379 31.823 0.063 0.000 0.958 968 V HN 0.786 nan 8.190 nan 0.000 0.481 969 P HA 0.099 nan 4.420 nan 0.000 0.268 969 P C 0.327 177.620 177.300 -0.011 0.000 1.208 969 P CA -0.069 63.031 63.100 0.000 0.000 0.777 969 P CB 0.147 31.840 31.700 -0.010 0.000 0.875 970 K N -1.709 118.685 120.400 -0.011 0.000 3.020 970 K HA -0.179 4.140 4.320 -0.001 0.000 0.266 970 K C -0.089 176.495 176.600 -0.028 0.000 1.067 970 K CA 1.311 57.586 56.287 -0.020 0.000 0.780 970 K CB -1.972 30.509 32.500 -0.030 0.000 1.220 970 K HN 0.755 nan 8.250 nan 0.000 0.483 971 T N -1.229 113.313 114.554 -0.020 0.000 2.786 971 T HA 0.385 4.735 4.350 -0.001 0.000 0.283 971 T C -0.064 174.635 174.700 -0.001 0.000 0.992 971 T CA -1.029 61.048 62.100 -0.038 0.000 0.954 971 T CB 1.575 70.401 68.868 -0.070 0.000 0.934 971 T HN 0.221 nan 8.240 nan 0.000 0.440 972 E N 4.165 124.364 120.200 -0.001 0.000 2.366 972 E HA 0.392 4.742 4.350 -0.001 0.000 0.266 972 E C -0.313 176.317 176.600 0.051 0.000 1.051 972 E CA -0.851 55.572 56.400 0.038 0.000 0.884 972 E CB 0.865 30.585 29.700 0.034 0.000 1.006 972 E HN 0.652 nan 8.360 nan 0.000 0.417 973 I N 1.873 122.488 120.570 0.075 0.000 2.529 973 I HA 0.096 4.266 4.170 -0.001 0.000 0.284 973 I C 0.482 176.611 176.117 0.020 0.000 1.082 973 I CA -0.020 61.301 61.300 0.035 0.000 1.406 973 I CB 0.580 38.553 38.000 -0.046 0.000 1.405 973 I HN 0.494 nan 8.210 nan 0.000 0.548 974 K N 7.353 127.765 120.400 0.021 0.000 2.316 974 K HA 0.663 4.982 4.320 -0.001 0.000 0.251 974 K C -1.155 175.437 176.600 -0.013 0.000 0.934 974 K CA -0.788 55.511 56.287 0.021 0.000 0.802 974 K CB 1.522 34.055 32.500 0.055 0.000 1.171 974 K HN 0.704 nan 8.250 nan 0.000 0.426 975 R N 3.780 124.266 120.500 -0.024 0.000 2.643 975 R HA 0.475 4.815 4.340 -0.001 0.000 0.269 975 R C -1.247 175.017 176.300 -0.059 0.000 1.037 975 R CA -0.873 55.192 56.100 -0.057 0.000 0.894 975 R CB 0.736 30.971 30.300 -0.108 0.000 1.238 975 R HN 0.464 nan 8.270 nan 0.000 0.459 976 I N 2.022 122.542 120.570 -0.083 0.000 2.569 976 I HA 0.388 4.557 4.170 -0.001 0.000 0.296 976 I C -0.833 175.148 176.117 -0.226 0.000 1.028 976 I CA -1.373 59.853 61.300 -0.123 0.000 1.082 976 I CB 2.159 40.115 38.000 -0.074 0.000 1.264 976 I HN 0.445 nan 8.210 nan 0.000 0.429 977 L N 4.722 125.793 121.223 -0.253 0.000 2.294 977 L HA 0.421 4.761 4.340 -0.001 0.000 0.283 977 L C -0.172 176.509 176.870 -0.315 0.000 1.015 977 L CA 0.277 54.952 54.840 -0.275 0.000 0.831 977 L CB 1.409 43.354 42.059 -0.190 0.000 1.217 977 L HN 0.588 nan 8.230 nan 0.000 0.420 978 S N 4.557 120.050 115.700 -0.345 0.000 2.532 978 S HA 0.599 5.069 4.470 -0.001 0.000 0.318 978 S C -0.859 173.686 174.600 -0.093 0.000 1.083 978 S CA -0.530 57.468 58.200 -0.338 0.000 1.131 978 S CB 0.416 63.279 63.200 -0.562 0.000 0.973 978 S HN 0.374 nan 8.310 nan 0.000 0.468 979 V N 7.456 127.352 119.914 -0.031 0.000 2.357 979 V HA 0.558 4.678 4.120 -0.001 0.000 0.284 979 V C -0.121 176.040 176.094 0.111 0.000 1.018 979 V CA -0.685 61.660 62.300 0.075 0.000 0.841 979 V CB 1.251 33.175 31.823 0.168 0.000 0.991 979 V HN 0.772 nan 8.190 nan 0.000 0.437 980 K N 3.280 123.751 120.400 0.118 0.000 2.349 980 K HA 0.644 4.964 4.320 -0.001 0.000 0.243 980 K C 1.020 177.729 176.600 0.182 0.000 1.058 980 K CA -0.416 55.968 56.287 0.160 0.000 0.871 980 K CB 1.410 33.989 32.500 0.131 0.000 1.337 980 K HN 0.429 nan 8.250 nan 0.000 0.469 981 G N 0.057 109.045 108.800 0.312 0.000 2.492 981 G HA2 0.153 4.112 3.960 -0.001 0.000 0.214 981 G HA3 0.153 4.112 3.960 -0.001 0.000 0.214 981 G C 0.514 175.331 174.900 -0.140 0.000 1.147 981 G CA 0.283 45.446 45.100 0.105 0.000 0.809 981 G HN 0.244 nan 8.290 nan 0.000 0.533 982 L N -0.420 120.748 121.223 -0.092 0.000 2.279 982 L HA 0.395 4.735 4.340 -0.001 0.000 0.262 982 L C 0.982 177.799 176.870 -0.088 0.000 1.019 982 L CA -1.176 53.565 54.840 -0.165 0.000 0.823 982 L CB 1.794 43.693 42.059 -0.267 0.000 1.358 982 L HN -0.156 nan 8.230 nan 0.000 0.432 983 L N 1.038 122.206 121.223 -0.091 0.000 2.261 983 L HA -0.092 4.248 4.340 -0.001 0.000 0.216 983 L C 1.743 178.555 176.870 -0.096 0.000 1.114 983 L CA 1.422 56.214 54.840 -0.080 0.000 0.777 983 L CB -0.335 41.691 42.059 -0.055 0.000 0.910 983 L HN 0.415 nan 8.230 nan 0.000 0.440 984 V N -1.382 118.437 119.914 -0.159 0.000 3.578 984 V HA 0.191 4.311 4.120 -0.001 0.000 0.290 984 V C 2.097 178.064 176.094 -0.211 0.000 1.376 984 V CA 0.752 62.905 62.300 -0.244 0.000 1.083 984 V CB 0.381 31.910 31.823 -0.491 0.000 0.911 984 V HN 0.455 nan 8.190 nan 0.000 0.433 985 G N -0.208 108.533 108.800 -0.099 0.000 2.448 985 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 985 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 985 G C 1.302 176.200 174.900 -0.004 0.000 1.127 985 G CA 1.012 46.129 45.100 0.028 0.000 0.766 985 G HN 0.531 nan 8.290 nan 0.000 0.552 986 E N 0.825 121.007 120.200 -0.031 0.000 2.015 986 E HA -0.040 4.310 4.350 -0.001 0.000 0.191 986 E C 2.501 179.064 176.600 -0.062 0.000 0.991 986 E CA 0.681 57.053 56.400 -0.046 0.000 0.802 986 E CB -0.387 29.252 29.700 -0.101 0.000 0.759 986 E HN 0.448 nan 8.360 nan 0.000 0.447 987 I N 0.606 121.127 120.570 -0.082 0.000 2.300 987 I HA -0.325 3.845 4.170 -0.001 0.000 0.252 987 I C 2.286 178.370 176.117 -0.055 0.000 1.119 987 I CA 0.899 62.160 61.300 -0.064 0.000 1.384 987 I CB -0.381 37.576 38.000 -0.072 0.000 1.062 987 I HN 0.177 nan 8.210 nan 0.000 0.426 988 L N -0.283 120.887 121.223 -0.090 0.000 1.973 988 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 988 L C 2.803 179.648 176.870 -0.042 0.000 1.073 988 L CA 1.669 56.460 54.840 -0.081 0.000 0.746 988 L CB -0.714 41.274 42.059 -0.118 0.000 0.891 988 L HN 0.229 nan 8.230 nan 0.000 0.433 989 S N -0.251 115.420 115.700 -0.049 0.000 2.380 989 S HA -0.295 4.174 4.470 -0.001 0.000 0.229 989 S C 2.063 176.659 174.600 -0.007 0.000 1.043 989 S CA 1.547 59.727 58.200 -0.033 0.000 1.038 989 S CB -0.215 62.973 63.200 -0.019 0.000 0.872 989 S HN 0.466 nan 8.310 nan 0.000 0.456 990 A N 0.084 122.896 122.820 -0.013 0.000 1.948 990 A HA -0.048 4.272 4.320 -0.001 0.000 0.220 990 A C 2.248 179.834 177.584 0.003 0.000 1.177 990 A CA 2.018 54.043 52.037 -0.020 0.000 0.636 990 A CB -0.653 18.322 19.000 -0.042 0.000 0.815 990 A HN 0.514 nan 8.150 nan 0.000 0.449 991 V N -0.935 118.994 119.914 0.025 0.000 3.125 991 V HA 0.060 4.179 4.120 -0.001 0.000 0.249 991 V C 1.846 177.986 176.094 0.078 0.000 1.113 991 V CA 0.960 63.294 62.300 0.057 0.000 1.106 991 V CB -0.156 31.718 31.823 0.085 0.000 0.768 991 V HN 0.521 nan 8.190 nan 0.000 0.468 992 L N -0.898 120.372 121.223 0.079 0.000 2.640 992 L HA 0.193 4.533 4.340 -0.001 0.000 0.230 992 L C 1.868 178.785 176.870 0.077 0.000 1.123 992 L CA 0.207 55.120 54.840 0.121 0.000 0.900 992 L CB 0.162 42.330 42.059 0.181 0.000 1.146 992 L HN 0.228 nan 8.230 nan 0.000 0.484 993 S N -0.620 115.104 115.700 0.040 0.000 2.559 993 S HA 0.002 4.472 4.470 -0.001 0.000 0.212 993 S C 0.695 175.306 174.600 0.018 0.000 0.994 993 S CA -0.154 58.059 58.200 0.022 0.000 0.903 993 S CB 0.014 63.220 63.200 0.009 0.000 0.861 993 S HN 0.462 nan 8.310 nan 0.000 0.601 994 Q N 1.720 121.527 119.800 0.012 0.000 2.432 994 Q HA 0.264 4.604 4.340 -0.001 0.000 0.264 994 Q C -1.019 174.987 176.000 0.011 0.000 1.035 994 Q CA 0.179 55.985 55.803 0.006 0.000 0.908 994 Q CB 0.326 29.063 28.738 -0.003 0.000 1.280 994 Q HN 0.147 nan 8.270 nan 0.000 0.455 995 E N 0.473 120.676 120.200 0.004 0.000 2.248 995 E HA 0.549 4.899 4.350 -0.001 0.000 0.272 995 E C -0.536 176.063 176.600 -0.002 0.000 1.008 995 E CA 0.385 56.786 56.400 0.002 0.000 0.856 995 E CB 1.616 31.312 29.700 -0.005 0.000 1.120 995 E HN 0.889 nan 8.360 nan 0.000 0.397 996 G N 1.942 110.740 108.800 -0.004 0.000 3.138 996 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.685 996 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.685 996 G C 0.245 175.143 174.900 -0.002 0.000 0.995 996 G CA -0.125 44.969 45.100 -0.010 0.000 0.849 996 G HN 0.719 nan 8.290 nan 0.000 0.537 997 I N -0.227 120.343 120.570 -0.001 0.000 3.141 997 I HA 0.423 4.593 4.170 -0.001 0.000 0.295 997 I C 0.292 176.413 176.117 0.007 0.000 1.252 997 I CA 0.454 61.759 61.300 0.008 0.000 1.406 997 I CB 0.871 38.877 38.000 0.009 0.000 1.333 997 I HN 0.924 nan 8.210 nan 0.000 0.594 998 N N 4.330 123.036 118.700 0.011 0.000 2.521 998 N HA 0.348 5.088 4.740 -0.001 0.000 0.269 998 N C -1.004 174.512 175.510 0.009 0.000 1.079 998 N CA -0.708 52.346 53.050 0.005 0.000 0.980 998 N CB 1.240 39.721 38.487 -0.010 0.000 1.667 998 N HN 0.597 nan 8.380 nan 0.000 0.498 999 I N 2.608 123.190 120.570 0.020 0.000 2.892 999 I HA 0.049 4.219 4.170 -0.001 0.000 0.287 999 I C 1.186 177.295 176.117 -0.013 0.000 1.205 999 I CA 0.091 61.409 61.300 0.030 0.000 1.409 999 I CB 0.069 38.106 38.000 0.061 0.000 1.367 999 I HN 0.636 nan 8.210 nan 0.000 0.597 1000 L N 4.447 125.663 121.223 -0.011 0.000 2.783 1000 L HA 0.161 4.501 4.340 -0.001 0.000 0.236 1000 L C 0.032 176.849 176.870 -0.089 0.000 1.225 1000 L CA 0.251 55.050 54.840 -0.067 0.000 1.026 1000 L CB -0.452 41.583 42.059 -0.041 0.000 1.314 1000 L HN 0.783 nan 8.230 nan 0.000 0.489 1001 T N -4.751 109.760 114.554 -0.073 0.000 2.711 1001 T HA 0.188 4.537 4.350 -0.001 0.000 0.302 1001 T C 0.167 174.822 174.700 -0.075 0.000 1.373 1001 T CA -0.636 61.444 62.100 -0.033 0.000 1.000 1001 T CB 1.171 70.091 68.868 0.085 0.000 1.483 1001 T HN -0.002 nan 8.240 nan 0.000 0.499 1002 H N -0.630 118.581 119.070 0.235 0.000 2.539 1002 H HA 0.384 4.940 4.556 -0.001 0.000 0.267 1002 H C 0.322 175.734 175.328 0.139 0.000 0.982 1002 H CA -0.146 55.992 56.048 0.149 0.000 1.146 1002 H CB -0.043 29.821 29.762 0.170 0.000 1.382 1002 H HN 0.108 nan 8.280 nan 0.000 0.577 1003 L N 3.963 125.324 121.223 0.230 0.000 2.499 1003 L HA 0.066 4.406 4.340 -0.001 0.000 0.273 1003 L C -1.620 175.450 176.870 0.334 0.000 1.195 1003 L CA -1.808 53.212 54.840 0.301 0.000 0.882 1003 L CB 0.198 42.372 42.059 0.191 0.000 1.133 1003 L HN 0.090 nan 8.230 nan 0.000 0.483 1004 P HA -0.018 nan 4.420 nan 0.000 0.268 1004 P C -0.268 177.130 177.300 0.165 0.000 1.208 1004 P CA -0.215 63.002 63.100 0.195 0.000 0.777 1004 P CB 0.762 32.545 31.700 0.138 0.000 0.875 1005 K N 1.301 121.767 120.400 0.111 0.000 2.444 1005 K HA 0.042 4.362 4.320 -0.001 0.000 0.193 1005 K C 2.046 178.704 176.600 0.097 0.000 1.024 1005 K CA 0.506 56.856 56.287 0.104 0.000 1.077 1005 K CB -0.547 32.006 32.500 0.089 0.000 0.833 1005 K HN 0.646 nan 8.250 nan 0.000 0.517 1006 G N 1.542 110.393 108.800 0.086 0.000 2.553 1006 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 1006 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 1006 G C 0.911 175.950 174.900 0.231 0.000 1.195 1006 G CA 0.726 45.915 45.100 0.148 0.000 0.779 1006 G HN 0.361 nan 8.290 nan 0.000 0.577 1007 S N -0.181 115.574 115.700 0.092 0.000 2.593 1007 S HA 0.449 4.919 4.470 -0.001 0.000 0.269 1007 S C 1.750 176.177 174.600 -0.288 0.000 1.334 1007 S CA 0.381 58.514 58.200 -0.111 0.000 1.015 1007 S CB 1.234 64.296 63.200 -0.228 0.000 0.912 1007 S HN 0.684 nan 8.310 nan 0.000 0.541 1008 A N 2.380 124.858 122.820 -0.571 0.000 1.972 1008 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 1008 A C 2.016 179.387 177.584 -0.355 0.000 1.169 1008 A CA 1.832 53.325 52.037 -0.908 0.000 0.635 1008 A CB -0.950 17.636 19.000 -0.690 0.000 0.810 1008 A HN 1.004 nan 8.150 nan 0.000 0.446 1009 E N 0.060 120.176 120.200 -0.140 0.000 2.118 1009 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 1009 E C 1.920 178.610 176.600 0.150 0.000 0.992 1009 E CA 1.073 57.528 56.400 0.091 0.000 0.804 1009 E CB -0.253 29.564 29.700 0.195 0.000 0.741 1009 E HN 0.551 nan 8.360 nan 0.000 0.458 1010 A N 0.271 123.156 122.820 0.108 0.000 2.168 1010 A HA -0.114 4.206 4.320 -0.001 0.000 0.215 1010 A C 1.827 179.457 177.584 0.076 0.000 1.152 1010 A CA 1.226 53.354 52.037 0.152 0.000 0.716 1010 A CB -0.173 18.930 19.000 0.170 0.000 0.794 1010 A HN 0.182 nan 8.150 nan 0.000 0.465 1011 E N -0.421 119.771 120.200 -0.014 0.000 2.216 1011 E HA 0.144 4.493 4.350 -0.001 0.000 0.192 1011 E C 1.795 178.395 176.600 0.001 0.000 0.973 1011 E CA 0.409 56.792 56.400 -0.027 0.000 0.851 1011 E CB -0.169 29.455 29.700 -0.126 0.000 0.804 1011 E HN 0.591 nan 8.360 nan 0.000 0.477 1012 L N -0.366 120.870 121.223 0.022 0.000 2.109 1012 L HA -0.015 4.324 4.340 -0.001 0.000 0.207 1012 L C 1.936 178.849 176.870 0.072 0.000 1.086 1012 L CA 0.580 55.433 54.840 0.022 0.000 0.760 1012 L CB -0.205 41.885 42.059 0.052 0.000 0.910 1012 L HN 0.204 nan 8.230 nan 0.000 0.437 1013 M N -0.233 119.468 119.600 0.169 0.000 2.748 1013 M HA -0.083 4.397 4.480 -0.001 0.000 0.241 1013 M C 1.879 178.247 176.300 0.114 0.000 1.080 1013 M CA 0.881 56.292 55.300 0.184 0.000 1.068 1013 M CB -0.609 32.126 32.600 0.224 0.000 1.536 1013 M HN 0.264 nan 8.290 nan 0.000 0.540 1014 S N -3.103 112.639 115.700 0.071 0.000 2.506 1014 S HA 0.091 4.560 4.470 -0.001 0.000 0.219 1014 S C 1.381 176.002 174.600 0.035 0.000 1.031 1014 S CA 0.313 58.544 58.200 0.051 0.000 0.911 1014 S CB -0.318 62.905 63.200 0.039 0.000 0.812 1014 S HN 0.288 nan 8.310 nan 0.000 0.497 1015 V N 1.523 121.446 119.914 0.015 0.000 3.649 1015 V HA 0.264 4.384 4.120 -0.001 0.000 0.275 1015 V C 1.716 177.818 176.094 0.013 0.000 1.281 1015 V CA 0.440 62.740 62.300 -0.000 0.000 1.143 1015 V CB -0.058 31.737 31.823 -0.047 0.000 0.892 1015 V HN 0.411 nan 8.190 nan 0.000 0.441 1016 V N 1.699 121.635 119.914 0.037 0.000 2.255 1016 V HA -0.030 4.090 4.120 -0.001 0.000 0.243 1016 V C 0.094 176.277 176.094 0.148 0.000 1.038 1016 V CA 2.629 64.968 62.300 0.065 0.000 1.008 1016 V CB -1.117 30.806 31.823 0.167 0.000 0.645 1016 V HN 0.523 nan 8.190 nan 0.000 0.449 1017 P HA -0.106 nan 4.420 nan 0.000 0.218 1017 P C 1.765 179.159 177.300 0.157 0.000 1.148 1017 P CA 1.317 64.523 63.100 0.177 0.000 0.822 1017 P CB -0.091 31.669 31.700 0.101 0.000 0.784 1018 V N -0.740 119.249 119.914 0.126 0.000 2.270 1018 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 1018 V C 2.199 178.395 176.094 0.170 0.000 1.043 1018 V CA 1.699 64.081 62.300 0.136 0.000 1.014 1018 V CB -1.529 30.353 31.823 0.099 0.000 0.645 1018 V HN 0.009 nan 8.190 nan 0.000 0.447 1019 F N 0.720 120.651 119.950 -0.032 0.000 2.091 1019 F HA -0.265 4.262 4.527 -0.001 0.000 0.299 1019 F C 2.286 178.122 175.800 0.059 0.000 1.103 1019 F CA 1.779 59.739 58.000 -0.066 0.000 1.228 1019 F CB -0.627 38.174 39.000 -0.332 0.000 0.984 1019 F HN 0.176 nan 8.300 nan 0.000 0.477 1020 Y N -0.188 120.119 120.300 0.012 0.000 2.163 1020 Y HA -0.138 4.412 4.550 -0.001 0.000 0.288 1020 Y C 2.682 178.578 175.900 -0.007 0.000 1.136 1020 Y CA 1.436 59.501 58.100 -0.059 0.000 1.147 1020 Y CB -1.462 37.046 38.460 0.079 0.000 0.987 1020 Y HN -0.107 nan 8.280 nan 0.000 0.509 1021 V N -0.424 119.595 119.914 0.175 0.000 2.568 1021 V HA -0.307 3.813 4.120 -0.001 0.000 0.253 1021 V C 2.039 178.179 176.094 0.077 0.000 1.072 1021 V CA 1.830 64.190 62.300 0.100 0.000 1.084 1021 V CB -0.784 31.099 31.823 0.102 0.000 0.676 1021 V HN 0.382 nan 8.190 nan 0.000 0.469 1022 F N -0.346 119.563 119.950 -0.069 0.000 2.219 1022 F HA -0.033 4.494 4.527 -0.001 0.000 0.294 1022 F C 2.417 178.022 175.800 -0.325 0.000 1.086 1022 F CA 1.823 59.721 58.000 -0.169 0.000 1.330 1022 F CB -0.386 38.544 39.000 -0.115 0.000 1.047 1022 F HN 0.237 nan 8.300 nan 0.000 0.495 1023 H N -1.399 117.531 119.070 -0.233 0.000 2.321 1023 H HA -0.277 4.279 4.556 -0.001 0.000 0.300 1023 H C 2.259 177.506 175.328 -0.134 0.000 1.087 1023 H CA 2.091 58.024 56.048 -0.193 0.000 1.319 1023 H CB -0.609 29.016 29.762 -0.227 0.000 1.379 1023 H HN 0.458 nan 8.280 nan 0.000 0.501 1024 Y N 1.183 121.302 120.300 -0.302 0.000 2.145 1024 Y HA -0.214 4.335 4.550 -0.001 0.000 0.286 1024 Y C 2.502 178.181 175.900 -0.367 0.000 1.145 1024 Y CA 1.494 59.400 58.100 -0.324 0.000 1.148 1024 Y CB -0.531 37.796 38.460 -0.222 0.000 0.981 1024 Y HN 0.133 nan 8.280 nan 0.000 0.507 1025 L N 0.064 121.017 121.223 -0.449 0.000 2.017 1025 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 1025 L C 2.552 178.654 176.870 -1.281 0.000 1.073 1025 L CA 1.983 56.231 54.840 -0.986 0.000 0.745 1025 L CB -0.517 40.674 42.059 -1.448 0.000 0.894 1025 L HN 0.300 nan 8.230 nan 0.000 0.432 1026 E N -0.351 119.209 120.200 -1.067 0.000 2.016 1026 E HA -0.166 4.183 4.350 -0.001 0.000 0.190 1026 E C 2.012 178.430 176.600 -0.304 0.000 0.985 1026 E CA 2.032 58.095 56.400 -0.562 0.000 0.802 1026 E CB -0.236 29.135 29.700 -0.548 0.000 0.762 1026 E HN 0.160 nan 8.360 nan 0.000 0.448 1027 T N -0.679 113.720 114.554 -0.259 0.000 2.746 1027 T HA -0.069 4.280 4.350 -0.001 0.000 0.267 1027 T C 1.410 175.962 174.700 -0.248 0.000 1.039 1027 T CA 1.381 63.387 62.100 -0.156 0.000 1.142 1027 T CB -0.537 68.231 68.868 -0.167 0.000 0.866 1027 T HN 0.371 nan 8.240 nan 0.000 0.444 1028 G N 2.165 110.737 108.800 -0.380 0.000 3.262 1028 G HA2 0.066 4.026 3.960 -0.001 0.000 0.228 1028 G HA3 0.066 4.026 3.960 -0.001 0.000 0.228 1028 G C 0.179 174.604 174.900 -0.790 0.000 1.197 1028 G CA -0.176 44.655 45.100 -0.449 0.000 0.819 1028 G HN 0.816 nan 8.290 nan 0.000 0.531 1029 N N 0.116 118.501 118.700 -0.525 0.000 2.844 1029 N HA -0.288 4.452 4.740 -0.001 0.000 0.298 1029 N C 0.104 175.232 175.510 -0.637 0.000 1.063 1029 N CA 0.437 53.219 53.050 -0.447 0.000 0.818 1029 N CB -0.852 37.513 38.487 -0.204 0.000 0.971 1029 N HN 0.441 nan 8.380 nan 0.000 0.596 1030 H N -0.204 118.563 119.070 -0.504 0.000 2.512 1030 H HA 0.040 4.595 4.556 -0.001 0.000 0.276 1030 H C 0.191 175.362 175.328 -0.263 0.000 1.126 1030 H CA -0.455 55.370 56.048 -0.372 0.000 1.060 1030 H CB -0.095 29.384 29.762 -0.471 0.000 1.646 1030 H HN 0.673 nan 8.280 nan 0.000 0.571 1031 W N 2.298 123.571 121.300 -0.045 0.000 2.387 1031 W HA -0.172 4.488 4.660 -0.001 0.000 0.272 1031 W C 2.043 178.604 176.519 0.071 0.000 1.224 1031 W CA 0.762 58.136 57.345 0.049 0.000 1.210 1031 W CB 0.141 29.617 29.460 0.027 0.000 1.125 1031 W HN 0.305 nan 8.180 nan 0.000 0.572 1032 N N 1.058 119.873 118.700 0.190 0.000 2.515 1032 N HA -0.088 4.652 4.740 -0.001 0.000 0.191 1032 N C 1.124 176.635 175.510 0.001 0.000 1.182 1032 N CA 0.669 53.783 53.050 0.106 0.000 0.879 1032 N CB -0.807 37.712 38.487 0.053 0.000 0.984 1032 N HN 0.259 nan 8.380 nan 0.000 0.453 1033 I N -0.096 120.427 120.570 -0.078 0.000 2.208 1033 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 1033 I C 0.155 176.054 176.117 -0.365 0.000 1.097 1033 I CA 0.898 62.055 61.300 -0.238 0.000 1.363 1033 I CB -0.247 37.500 38.000 -0.421 0.000 1.051 1033 I HN -0.061 nan 8.210 nan 0.000 0.413 1034 F N 0.818 120.762 119.950 -0.010 0.000 2.467 1034 F HA 0.081 4.607 4.527 -0.001 0.000 0.362 1034 F C 1.744 177.492 175.800 -0.085 0.000 1.090 1034 F CA -0.082 57.910 58.000 -0.014 0.000 1.202 1034 F CB 0.025 39.084 39.000 0.098 0.000 1.113 1034 F HN 0.021 nan 8.300 nan 0.000 0.541 1035 H N 0.422 119.628 119.070 0.227 0.000 2.502 1035 H HA -0.016 4.539 4.556 -0.001 0.000 0.283 1035 H C 1.427 176.831 175.328 0.126 0.000 1.015 1035 H CA 0.812 56.943 56.048 0.139 0.000 1.298 1035 H CB 0.077 29.894 29.762 0.092 0.000 1.411 1035 H HN 0.571 nan 8.280 nan 0.000 0.556 1036 S N 0.833 116.694 115.700 0.268 0.000 2.477 1036 S HA -0.038 4.431 4.470 -0.001 0.000 0.261 1036 S C 0.475 175.124 174.600 0.081 0.000 1.197 1036 S CA -0.747 57.534 58.200 0.136 0.000 1.015 1036 S CB 0.755 64.001 63.200 0.077 0.000 1.077 1036 S HN 0.122 nan 8.310 nan 0.000 0.505 1037 D N 1.669 122.073 120.400 0.007 0.000 2.344 1037 D HA 0.339 4.978 4.640 -0.001 0.000 0.253 1037 D C -1.709 174.541 176.300 -0.083 0.000 1.255 1037 D CA -2.218 51.766 54.000 -0.028 0.000 0.894 1037 D CB 1.081 41.853 40.800 -0.047 0.000 1.067 1037 D HN 0.116 nan 8.370 nan 0.000 0.492 1038 P HA -0.117 nan 4.420 nan 0.000 0.217 1038 P C 1.511 178.656 177.300 -0.258 0.000 1.150 1038 P CA 0.193 63.262 63.100 -0.052 0.000 0.832 1038 P CB 0.380 32.122 31.700 0.070 0.000 0.787 1039 L N -1.036 120.057 121.223 -0.217 0.000 2.093 1039 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 1039 L C 2.118 178.849 176.870 -0.231 0.000 1.085 1039 L CA 1.595 56.281 54.840 -0.257 0.000 0.755 1039 L CB -1.196 40.766 42.059 -0.163 0.000 0.904 1039 L HN -0.115 nan 8.230 nan 0.000 0.435 1040 I N -0.595 119.866 120.570 -0.182 0.000 2.202 1040 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 1040 I C 2.497 178.496 176.117 -0.196 0.000 1.091 1040 I CA 1.119 62.326 61.300 -0.155 0.000 1.368 1040 I CB -0.959 36.969 38.000 -0.120 0.000 1.058 1040 I HN 0.298 nan 8.210 nan 0.000 0.410 1041 E N 1.134 121.160 120.200 -0.290 0.000 2.085 1041 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 1041 E C 2.238 178.690 176.600 -0.247 0.000 0.994 1041 E CA 1.568 57.735 56.400 -0.387 0.000 0.801 1041 E CB -0.202 28.970 29.700 -0.880 0.000 0.743 1041 E HN 0.298 nan 8.360 nan 0.000 0.453 1042 K N -0.268 119.891 120.400 -0.401 0.000 2.063 1042 K HA -0.231 4.089 4.320 -0.001 0.000 0.208 1042 K C 2.012 178.582 176.600 -0.050 0.000 1.048 1042 K CA 1.466 57.499 56.287 -0.424 0.000 0.928 1042 K CB -0.001 31.954 32.500 -0.909 0.000 0.713 1042 K HN 0.073 nan 8.250 nan 0.000 0.442 1043 Q N 1.056 120.790 119.800 -0.110 0.000 2.084 1043 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 1043 Q C 1.961 177.944 176.000 -0.028 0.000 0.978 1043 Q CA 1.475 57.246 55.803 -0.053 0.000 0.844 1043 Q CB -0.182 28.514 28.738 -0.070 0.000 0.898 1043 Q HN 0.367 nan 8.270 nan 0.000 0.426 1044 K N 0.327 120.704 120.400 -0.037 0.000 2.044 1044 K HA -0.136 4.184 4.320 -0.001 0.000 0.210 1044 K C 2.280 178.893 176.600 0.021 0.000 1.049 1044 K CA 1.175 57.451 56.287 -0.019 0.000 0.927 1044 K CB -0.265 32.214 32.500 -0.036 0.000 0.713 1044 K HN 0.142 nan 8.250 nan 0.000 0.443 1045 L N 1.004 122.284 121.223 0.095 0.000 2.056 1045 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 1045 L C 2.398 179.254 176.870 -0.025 0.000 1.078 1045 L CA 1.266 56.189 54.840 0.138 0.000 0.749 1045 L CB -0.340 41.978 42.059 0.432 0.000 0.901 1045 L HN 0.167 nan 8.230 nan 0.000 0.433 1046 K N 0.199 120.544 120.400 -0.093 0.000 2.059 1046 K HA -0.290 4.030 4.320 -0.001 0.000 0.212 1046 K C 2.161 178.701 176.600 -0.100 0.000 1.050 1046 K CA 1.785 57.956 56.287 -0.193 0.000 0.927 1046 K CB -0.149 32.285 32.500 -0.112 0.000 0.714 1046 K HN 0.176 nan 8.250 nan 0.000 0.447 1047 K N 1.407 121.774 120.400 -0.055 0.000 1.991 1047 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 1047 K C 1.988 178.561 176.600 -0.046 0.000 1.049 1047 K CA 1.693 57.953 56.287 -0.045 0.000 0.932 1047 K CB 0.019 32.497 32.500 -0.037 0.000 0.717 1047 K HN -0.004 nan 8.250 nan 0.000 0.441 1048 K N 0.293 120.675 120.400 -0.031 0.000 2.077 1048 K HA -0.224 4.095 4.320 -0.001 0.000 0.213 1048 K C 2.126 178.709 176.600 -0.029 0.000 1.051 1048 K CA 1.627 57.901 56.287 -0.021 0.000 0.929 1048 K CB -0.293 32.213 32.500 0.010 0.000 0.715 1048 K HN 0.109 nan 8.250 nan 0.000 0.451 1049 L N 1.610 122.807 121.223 -0.043 0.000 2.046 1049 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 1049 L C 2.296 179.138 176.870 -0.047 0.000 1.077 1049 L CA 1.768 56.581 54.840 -0.046 0.000 0.747 1049 L CB -0.360 41.642 42.059 -0.095 0.000 0.896 1049 L HN 0.078 nan 8.230 nan 0.000 0.432 1050 K N -0.714 119.655 120.400 -0.050 0.000 2.031 1050 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 1050 K C 1.912 178.487 176.600 -0.043 0.000 1.049 1050 K CA 1.299 57.563 56.287 -0.039 0.000 0.939 1050 K CB -0.046 32.435 32.500 -0.031 0.000 0.717 1050 K HN 0.359 nan 8.250 nan 0.000 0.438 1051 E N -0.286 119.878 120.200 -0.059 0.000 2.033 1051 E HA -0.200 4.150 4.350 -0.001 0.000 0.199 1051 E C 2.000 178.563 176.600 -0.062 0.000 1.011 1051 E CA 1.416 57.767 56.400 -0.083 0.000 0.815 1051 E CB -0.361 29.284 29.700 -0.092 0.000 0.755 1051 E HN 0.548 nan 8.360 nan 0.000 0.451 1052 G N 0.733 109.507 108.800 -0.043 0.000 2.442 1052 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.219 1052 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.219 1052 G C 1.516 176.400 174.900 -0.026 0.000 1.141 1052 G CA 1.060 46.143 45.100 -0.028 0.000 0.763 1052 G HN 0.095 nan 8.290 nan 0.000 0.554 1053 M N 0.124 119.704 119.600 -0.033 0.000 2.319 1053 M HA 0.249 4.728 4.480 -0.001 0.000 0.265 1053 M C 2.272 178.576 176.300 0.007 0.000 1.068 1053 M CA 0.878 56.160 55.300 -0.031 0.000 1.118 1053 M CB -0.231 32.343 32.600 -0.042 0.000 1.395 1053 M HN 0.177 nan 8.290 nan 0.000 0.435 1054 L N -1.961 119.268 121.223 0.009 0.000 2.156 1054 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 1054 L C 2.472 179.377 176.870 0.057 0.000 1.095 1054 L CA 1.016 55.882 54.840 0.042 0.000 0.770 1054 L CB -1.031 41.036 42.059 0.012 0.000 0.914 1054 L HN 0.301 nan 8.230 nan 0.000 0.439 1055 S N 0.595 116.312 115.700 0.029 0.000 2.380 1055 S HA -0.240 4.230 4.470 -0.001 0.000 0.229 1055 S C 1.975 176.656 174.600 0.135 0.000 1.043 1055 S CA 1.685 59.919 58.200 0.056 0.000 1.038 1055 S CB -0.306 62.913 63.200 0.032 0.000 0.872 1055 S HN 0.459 nan 8.310 nan 0.000 0.456 1056 I N 0.333 120.974 120.570 0.119 0.000 2.830 1056 I HA -0.055 4.114 4.170 -0.001 0.000 0.263 1056 I C 1.888 178.183 176.117 0.298 0.000 1.230 1056 I CA 1.211 62.618 61.300 0.178 0.000 1.480 1056 I CB -0.881 37.161 38.000 0.070 0.000 1.095 1056 I HN 0.400 nan 8.210 nan 0.000 0.455 1057 M N 1.567 121.292 119.600 0.209 0.000 2.089 1057 M HA -0.252 4.228 4.480 -0.001 0.000 0.257 1057 M C 2.227 178.589 176.300 0.102 0.000 1.071 1057 M CA 2.532 57.925 55.300 0.155 0.000 1.096 1057 M CB -0.514 32.159 32.600 0.123 0.000 1.330 1057 M HN 0.304 nan 8.290 nan 0.000 0.403 1058 S N -0.911 114.846 115.700 0.095 0.000 2.420 1058 S HA -0.183 4.287 4.470 -0.001 0.000 0.237 1058 S C 1.115 175.599 174.600 -0.194 0.000 1.023 1058 S CA 1.287 59.428 58.200 -0.098 0.000 0.991 1058 S CB -0.793 62.279 63.200 -0.214 0.000 0.792 1058 S HN 0.621 nan 8.310 nan 0.000 0.488 1059 Y N 0.845 121.145 120.300 -0.000 0.000 2.532 1059 Y HA 0.361 4.911 4.550 -0.001 0.000 0.283 1059 Y C 0.916 176.776 175.900 -0.066 0.000 1.181 1059 Y CA -0.502 57.598 58.100 -0.001 0.000 1.256 1059 Y CB -0.061 38.427 38.460 0.046 0.000 1.112 1059 Y HN 0.025 nan 8.280 nan 0.000 0.521 1060 R N 1.272 121.726 120.500 -0.077 0.000 2.294 1060 R HA 0.250 4.589 4.340 -0.001 0.000 0.319 1060 R C -0.450 175.631 176.300 -0.365 0.000 0.984 1060 R CA -0.390 55.446 56.100 -0.440 0.000 0.861 1060 R CB 0.525 30.460 30.300 -0.608 0.000 1.104 1060 R HN 0.198 nan 8.270 nan 0.000 0.451 1061 N N 1.164 119.623 118.700 -0.401 0.000 2.381 1061 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 1061 N C 0.738 176.008 175.510 -0.400 0.000 1.288 1061 N CA 0.306 53.165 53.050 -0.319 0.000 0.960 1061 N CB 0.392 38.725 38.487 -0.255 0.000 1.116 1061 N HN 0.663 nan 8.380 nan 0.000 0.557 1062 A N -0.347 122.276 122.820 -0.328 0.000 2.021 1062 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 1062 A C 0.899 178.192 177.584 -0.485 0.000 1.163 1062 A CA 1.259 53.063 52.037 -0.388 0.000 0.676 1062 A CB -0.461 18.402 19.000 -0.229 0.000 0.818 1062 A HN 0.744 nan 8.150 nan 0.000 0.453 1063 D N -3.240 116.979 120.400 -0.302 0.000 2.349 1063 D HA 0.016 4.655 4.640 -0.001 0.000 0.224 1063 D C -0.049 176.206 176.300 -0.075 0.000 1.029 1063 D CA 0.050 53.979 54.000 -0.119 0.000 0.879 1063 D CB -0.562 40.283 40.800 0.075 0.000 0.906 1063 D HN 0.456 nan 8.370 nan 0.000 0.528 1064 Y N -0.536 119.606 120.300 -0.262 0.000 4.912 1064 Y HA -0.266 4.284 4.550 -0.001 0.000 0.252 1064 Y C 0.207 175.807 175.900 -0.501 0.000 0.965 1064 Y CA 0.402 58.301 58.100 -0.335 0.000 1.978 1064 Y CB -2.589 35.786 38.460 -0.142 0.000 1.477 1064 Y HN 0.217 nan 8.280 nan 0.000 0.606 1065 S N -0.191 115.135 115.700 -0.623 0.000 2.499 1065 S HA 0.703 5.172 4.470 -0.001 0.000 0.279 1065 S C -0.365 173.878 174.600 -0.594 0.000 1.219 1065 S CA -0.711 56.946 58.200 -0.906 0.000 1.062 1065 S CB 0.958 62.914 63.200 -2.074 0.000 0.978 1065 S HN 0.168 nan 8.310 nan 0.000 0.489 1066 Y N 1.513 121.602 120.300 -0.352 0.000 2.326 1066 Y HA 0.649 5.198 4.550 -0.001 0.000 0.324 1066 Y C 1.088 176.897 175.900 -0.152 0.000 1.291 1066 Y CA -0.792 57.206 58.100 -0.170 0.000 1.348 1066 Y CB 0.993 39.398 38.460 -0.091 0.000 1.294 1066 Y HN 0.752 nan 8.280 nan 0.000 0.525 1067 S N -0.194 115.560 115.700 0.090 0.000 2.541 1067 S HA 0.295 4.765 4.470 -0.001 0.000 0.280 1067 S C 0.373 174.965 174.600 -0.013 0.000 1.112 1067 S CA -0.657 57.558 58.200 0.026 0.000 0.925 1067 S CB 1.536 64.756 63.200 0.034 0.000 1.067 1067 S HN 0.640 nan 8.310 nan 0.000 0.479 1068 V N 4.573 124.323 119.914 -0.273 0.000 2.332 1068 V HA 0.048 4.168 4.120 -0.001 0.000 0.248 1068 V C -0.078 175.634 176.094 -0.638 0.000 1.055 1068 V CA 1.508 63.375 62.300 -0.722 0.000 1.038 1068 V CB -0.129 30.752 31.823 -1.570 0.000 0.651 1068 V HN 0.723 nan 8.190 nan 0.000 0.450 1069 W N -0.485 120.853 121.300 0.063 0.000 2.799 1069 W HA 0.486 5.146 4.660 -0.001 0.000 0.349 1069 W C -0.032 176.570 176.519 0.140 0.000 1.100 1069 W CA -1.242 56.214 57.345 0.184 0.000 1.174 1069 W CB 0.923 30.416 29.460 0.055 0.000 1.427 1069 W HN -0.150 nan 8.180 nan 0.000 0.547 1070 K N 0.856 121.390 120.400 0.223 0.000 2.453 1070 K HA 0.160 4.479 4.320 -0.001 0.000 0.280 1070 K C 0.961 177.584 176.600 0.038 0.000 1.045 1070 K CA 1.697 57.930 56.287 -0.089 0.000 1.059 1070 K CB 0.109 32.463 32.500 -0.243 0.000 0.901 1070 K HN 0.834 nan 8.250 nan 0.000 0.475 1071 G N 2.902 111.710 108.800 0.012 0.000 2.454 1071 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.225 1071 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.225 1071 G C 0.609 175.558 174.900 0.082 0.000 1.138 1071 G CA -0.075 45.046 45.100 0.035 0.000 0.667 1071 G HN 0.894 nan 8.290 nan 0.000 0.512 1072 G N 1.060 109.952 108.800 0.154 0.000 2.568 1072 G HA2 0.455 4.414 3.960 -0.001 0.000 0.231 1072 G HA3 0.455 4.414 3.960 -0.001 0.000 0.231 1072 G C 0.756 175.745 174.900 0.148 0.000 1.261 1072 G CA 1.186 46.407 45.100 0.202 0.000 0.855 1072 G HN 1.821 nan 8.290 nan 0.000 0.576 1073 S N 0.654 116.446 115.700 0.153 0.000 2.552 1073 S HA 0.414 4.884 4.470 -0.001 0.000 0.289 1073 S C 0.830 175.506 174.600 0.126 0.000 1.304 1073 S CA -0.219 58.064 58.200 0.138 0.000 1.063 1073 S CB 0.957 64.248 63.200 0.152 0.000 0.848 1073 S HN 1.504 nan 8.310 nan 0.000 0.499 1074 A N 2.891 125.780 122.820 0.115 0.000 2.555 1074 A HA 0.432 4.752 4.320 -0.001 0.000 0.233 1074 A C 0.791 178.468 177.584 0.156 0.000 1.060 1074 A CA 0.076 52.157 52.037 0.074 0.000 0.759 1074 A CB -0.317 18.693 19.000 0.016 0.000 0.995 1074 A HN 1.604 nan 8.150 nan 0.000 0.506 1075 S N 1.176 116.953 115.700 0.129 0.000 2.552 1075 S HA 0.371 4.841 4.470 -0.001 0.000 0.314 1075 S C 0.652 175.441 174.600 0.315 0.000 1.099 1075 S CA 0.157 58.482 58.200 0.209 0.000 1.070 1075 S CB 1.408 64.715 63.200 0.178 0.000 0.998 1075 S HN 0.775 nan 8.310 nan 0.000 0.474 1076 T N 2.130 116.874 114.554 0.316 0.000 2.822 1076 T HA -0.135 4.214 4.350 -0.001 0.000 0.270 1076 T C 1.074 176.013 174.700 0.397 0.000 1.064 1076 T CA 2.080 64.407 62.100 0.378 0.000 1.131 1076 T CB -0.474 68.455 68.868 0.102 0.000 0.858 1076 T HN 0.807 nan 8.240 nan 0.000 0.483 1077 W N 0.668 122.085 121.300 0.195 0.000 2.380 1077 W HA 0.058 4.718 4.660 -0.001 0.000 0.317 1077 W C 2.018 178.686 176.519 0.248 0.000 1.196 1077 W CA 0.886 58.341 57.345 0.184 0.000 1.307 1077 W CB -0.756 28.767 29.460 0.105 0.000 1.157 1077 W HN 0.213 nan 8.180 nan 0.000 0.483 1078 L N 0.354 121.767 121.223 0.318 0.000 2.083 1078 L HA -0.209 4.131 4.340 -0.001 0.000 0.209 1078 L C 2.372 179.253 176.870 0.018 0.000 1.083 1078 L CA 2.274 57.159 54.840 0.075 0.000 0.752 1078 L CB -0.940 41.180 42.059 0.102 0.000 0.899 1078 L HN -0.033 nan 8.230 nan 0.000 0.433 1079 T N -0.073 114.534 114.554 0.088 0.000 2.685 1079 T HA -0.288 4.062 4.350 -0.001 0.000 0.268 1079 T C 1.879 176.565 174.700 -0.023 0.000 1.034 1079 T CA 1.469 63.608 62.100 0.064 0.000 1.149 1079 T CB -0.553 68.417 68.868 0.170 0.000 0.860 1079 T HN 0.568 nan 8.240 nan 0.000 0.449 1080 A N 1.106 123.949 122.820 0.038 0.000 1.877 1080 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 1080 A C 2.029 179.502 177.584 -0.184 0.000 1.186 1080 A CA 1.468 53.472 52.037 -0.055 0.000 0.620 1080 A CB -1.050 17.953 19.000 0.005 0.000 0.822 1080 A HN 0.480 nan 8.150 nan 0.000 0.443 1081 F N 0.813 120.582 119.950 -0.300 0.000 2.333 1081 F HA -0.003 4.523 4.527 -0.001 0.000 0.300 1081 F C 2.305 177.899 175.800 -0.343 0.000 1.083 1081 F CA 0.878 58.657 58.000 -0.369 0.000 1.395 1081 F CB -0.151 38.632 39.000 -0.361 0.000 1.056 1081 F HN 0.238 nan 8.300 nan 0.000 0.529 1082 A N 0.007 122.588 122.820 -0.399 0.000 1.935 1082 A HA 0.019 4.339 4.320 -0.001 0.000 0.214 1082 A C 2.160 179.416 177.584 -0.547 0.000 1.178 1082 A CA 0.993 52.683 52.037 -0.579 0.000 0.640 1082 A CB -0.917 17.566 19.000 -0.862 0.000 0.825 1082 A HN 0.402 nan 8.150 nan 0.000 0.447 1083 L N -0.378 120.587 121.223 -0.430 0.000 2.079 1083 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 1083 L C 2.699 179.368 176.870 -0.334 0.000 1.081 1083 L CA 1.826 56.483 54.840 -0.306 0.000 0.752 1083 L CB -0.402 41.547 42.059 -0.184 0.000 0.896 1083 L HN 0.500 nan 8.230 nan 0.000 0.433 1084 R N 0.094 120.349 120.500 -0.409 0.000 2.080 1084 R HA -0.145 4.195 4.340 -0.001 0.000 0.236 1084 R C 1.955 177.956 176.300 -0.499 0.000 1.137 1084 R CA 2.116 57.955 56.100 -0.435 0.000 0.943 1084 R CB -0.887 29.100 30.300 -0.521 0.000 0.846 1084 R HN 0.128 nan 8.270 nan 0.000 0.431 1085 V N 0.631 120.168 119.914 -0.628 0.000 2.488 1085 V HA -0.130 3.989 4.120 -0.001 0.000 0.246 1085 V C 2.344 178.120 176.094 -0.531 0.000 1.046 1085 V CA 1.115 63.042 62.300 -0.622 0.000 1.053 1085 V CB -0.505 30.937 31.823 -0.635 0.000 0.679 1085 V HN 0.258 nan 8.190 nan 0.000 0.458 1086 L N 1.038 122.005 121.223 -0.428 0.000 1.994 1086 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 1086 L C 2.649 179.332 176.870 -0.312 0.000 1.071 1086 L CA 2.614 57.261 54.840 -0.322 0.000 0.745 1086 L CB -1.977 39.930 42.059 -0.254 0.000 0.892 1086 L HN 0.426 nan 8.230 nan 0.000 0.431 1087 G N -1.249 107.370 108.800 -0.302 0.000 2.440 1087 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 1087 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 1087 G C 1.501 176.225 174.900 -0.293 0.000 1.154 1087 G CA 0.487 45.439 45.100 -0.247 0.000 0.767 1087 G HN 0.463 nan 8.290 nan 0.000 0.552 1088 Q N -0.236 119.297 119.800 -0.445 0.000 2.020 1088 Q HA -0.068 4.272 4.340 -0.001 0.000 0.202 1088 Q C 2.829 178.414 176.000 -0.690 0.000 0.982 1088 Q CA 1.547 56.972 55.803 -0.631 0.000 0.838 1088 Q CB -0.329 27.732 28.738 -1.128 0.000 0.899 1088 Q HN 0.385 nan 8.270 nan 0.000 0.423 1089 V N 2.169 121.622 119.914 -0.768 0.000 2.626 1089 V HA -0.227 3.893 4.120 -0.001 0.000 0.252 1089 V C 2.094 178.105 176.094 -0.139 0.000 1.067 1089 V CA 1.412 63.508 62.300 -0.340 0.000 1.081 1089 V CB -0.800 30.850 31.823 -0.288 0.000 0.686 1089 V HN 0.454 nan 8.190 nan 0.000 0.468 1090 N N 1.076 119.660 118.700 -0.194 0.000 2.132 1090 N HA -0.253 4.487 4.740 -0.001 0.000 0.191 1090 N C 1.828 177.258 175.510 -0.133 0.000 1.015 1090 N CA 1.624 54.593 53.050 -0.135 0.000 0.864 1090 N CB -0.158 38.245 38.487 -0.139 0.000 1.006 1090 N HN 0.479 nan 8.380 nan 0.000 0.430 1091 K N -0.799 119.466 120.400 -0.224 0.000 2.074 1091 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 1091 K C 1.088 177.469 176.600 -0.366 0.000 1.048 1091 K CA 1.564 57.609 56.287 -0.404 0.000 0.926 1091 K CB -0.163 31.877 32.500 -0.765 0.000 0.713 1091 K HN 0.419 nan 8.250 nan 0.000 0.444 1092 Y N -1.545 118.848 120.300 0.154 0.000 2.430 1092 Y HA 0.182 4.732 4.550 -0.001 0.000 0.248 1092 Y C 0.200 176.097 175.900 -0.004 0.000 1.108 1092 Y CA -0.369 57.806 58.100 0.126 0.000 1.264 1092 Y CB 1.084 39.625 38.460 0.134 0.000 1.172 1092 Y HN -0.327 nan 8.280 nan 0.000 0.520 1093 V N 1.414 121.376 119.914 0.080 0.000 2.443 1093 V HA 0.116 4.236 4.120 -0.001 0.000 0.272 1093 V C -0.250 175.840 176.094 -0.007 0.000 1.002 1093 V CA -1.432 60.879 62.300 0.019 0.000 0.840 1093 V CB 1.308 33.123 31.823 -0.013 0.000 1.042 1093 V HN 0.149 nan 8.190 nan 0.000 0.446 1094 E N 3.711 123.912 120.200 0.001 0.000 2.708 1094 E HA -0.023 4.327 4.350 -0.001 0.000 0.260 1094 E C -0.292 176.293 176.600 -0.025 0.000 0.937 1094 E CA 0.273 56.662 56.400 -0.017 0.000 0.953 1094 E CB 0.612 30.308 29.700 -0.006 0.000 0.915 1094 E HN 0.516 nan 8.360 nan 0.000 0.487 1095 Q N 2.631 122.405 119.800 -0.044 0.000 2.194 1095 Q HA 0.202 4.542 4.340 -0.001 0.000 0.245 1095 Q C -0.594 175.383 176.000 -0.038 0.000 0.993 1095 Q CA -0.784 54.994 55.803 -0.042 0.000 0.930 1095 Q CB 0.794 29.493 28.738 -0.065 0.000 1.238 1095 Q HN 0.569 nan 8.270 nan 0.000 0.486 1096 N N 0.987 119.670 118.700 -0.028 0.000 2.399 1096 N HA -0.056 4.683 4.740 -0.001 0.000 0.259 1096 N C 0.887 176.357 175.510 -0.068 0.000 1.160 1096 N CA 0.203 53.232 53.050 -0.036 0.000 0.946 1096 N CB 0.551 39.028 38.487 -0.016 0.000 1.156 1096 N HN 0.442 nan 8.380 nan 0.000 0.489 1097 Q N 3.434 123.189 119.800 -0.074 0.000 2.020 1097 Q HA -0.307 4.033 4.340 -0.001 0.000 0.202 1097 Q C 1.564 177.491 176.000 -0.123 0.000 0.982 1097 Q CA 1.500 57.247 55.803 -0.094 0.000 0.838 1097 Q CB -0.171 28.517 28.738 -0.084 0.000 0.899 1097 Q HN 0.816 nan 8.270 nan 0.000 0.423 1098 N N -0.471 118.153 118.700 -0.127 0.000 2.061 1098 N HA -0.216 4.524 4.740 -0.001 0.000 0.193 1098 N C 1.946 177.265 175.510 -0.319 0.000 1.030 1098 N CA 1.556 54.501 53.050 -0.175 0.000 0.856 1098 N CB -0.172 38.232 38.487 -0.138 0.000 1.023 1098 N HN 0.160 nan 8.380 nan 0.000 0.424 1099 S N 0.831 116.328 115.700 -0.338 0.000 2.354 1099 S HA -0.090 4.380 4.470 -0.001 0.000 0.219 1099 S C 2.135 176.542 174.600 -0.322 0.000 1.035 1099 S CA 1.139 59.024 58.200 -0.526 0.000 1.037 1099 S CB -0.414 62.679 63.200 -0.177 0.000 0.956 1099 S HN 0.343 nan 8.310 nan 0.000 0.428 1100 I N 1.613 122.098 120.570 -0.142 0.000 2.300 1100 I HA -0.228 3.941 4.170 -0.001 0.000 0.252 1100 I C 2.677 178.749 176.117 -0.075 0.000 1.119 1100 I CA 0.965 62.222 61.300 -0.071 0.000 1.384 1100 I CB -1.916 36.038 38.000 -0.076 0.000 1.062 1100 I HN 0.460 nan 8.210 nan 0.000 0.426 1101 c N 1.159 119.685 118.600 -0.123 0.000 2.442 1101 c HA -0.165 4.405 4.570 -0.001 0.000 0.279 1101 c C 2.723 176.787 174.090 -0.044 0.000 1.237 1101 c CA 1.017 57.292 56.329 -0.090 0.000 1.722 1101 c CB -1.197 41.248 42.510 -0.109 0.000 2.056 1101 c HN 0.564 nan 8.230 nan 0.000 0.469 1102 N N 0.870 119.498 118.700 -0.119 0.000 2.166 1102 N HA -0.091 4.648 4.740 -0.001 0.000 0.186 1102 N C 1.859 177.459 175.510 0.150 0.000 1.019 1102 N CA 1.340 54.384 53.050 -0.010 0.000 0.856 1102 N CB -0.518 37.890 38.487 -0.131 0.000 0.993 1102 N HN 0.464 nan 8.380 nan 0.000 0.426 1103 S N 1.477 117.239 115.700 0.103 0.000 2.359 1103 S HA -0.041 4.428 4.470 -0.001 0.000 0.224 1103 S C 2.148 176.916 174.600 0.280 0.000 1.035 1103 S CA 0.733 59.067 58.200 0.223 0.000 1.018 1103 S CB -0.272 63.075 63.200 0.245 0.000 0.876 1103 S HN 0.250 nan 8.310 nan 0.000 0.448 1104 L N 0.843 122.174 121.223 0.180 0.000 1.994 1104 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 1104 L C 2.140 179.156 176.870 0.242 0.000 1.071 1104 L CA 1.179 56.130 54.840 0.186 0.000 0.745 1104 L CB -0.565 41.552 42.059 0.097 0.000 0.892 1104 L HN 0.289 nan 8.230 nan 0.000 0.431 1105 L N -1.803 119.537 121.223 0.196 0.000 2.349 1105 L HA -0.242 4.098 4.340 -0.001 0.000 0.220 1105 L C 2.198 179.220 176.870 0.254 0.000 1.130 1105 L CA 0.961 55.911 54.840 0.183 0.000 0.791 1105 L CB -0.552 41.583 42.059 0.127 0.000 0.918 1105 L HN 0.405 nan 8.230 nan 0.000 0.444 1106 W N 0.849 122.241 121.300 0.153 0.000 2.353 1106 W HA -0.195 4.465 4.660 -0.001 0.000 0.319 1106 W C 2.122 178.799 176.519 0.262 0.000 1.207 1106 W CA 1.368 58.831 57.345 0.197 0.000 1.291 1106 W CB -0.286 29.297 29.460 0.206 0.000 1.159 1106 W HN -0.063 nan 8.180 nan 0.000 0.478 1107 L N 0.257 121.747 121.223 0.444 0.000 1.970 1107 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 1107 L C 2.601 179.619 176.870 0.247 0.000 1.071 1107 L CA 2.195 57.264 54.840 0.381 0.000 0.751 1107 L CB -2.143 40.279 42.059 0.605 0.000 0.889 1107 L HN 0.117 nan 8.230 nan 0.000 0.432 1108 V N -0.443 119.629 119.914 0.264 0.000 2.287 1108 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 1108 V C 2.264 178.305 176.094 -0.089 0.000 1.053 1108 V CA 2.175 64.528 62.300 0.089 0.000 1.027 1108 V CB -0.325 31.593 31.823 0.157 0.000 0.646 1108 V HN 0.617 nan 8.190 nan 0.000 0.447 1109 E N 0.010 120.179 120.200 -0.052 0.000 2.216 1109 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 1109 E C 1.783 178.256 176.600 -0.211 0.000 0.988 1109 E CA 1.602 57.940 56.400 -0.102 0.000 0.834 1109 E CB -0.123 29.552 29.700 -0.041 0.000 0.772 1109 E HN 0.805 nan 8.360 nan 0.000 0.479 1110 N N -1.076 117.445 118.700 -0.299 0.000 2.407 1110 N HA 0.034 4.774 4.740 -0.001 0.000 0.182 1110 N C -0.126 174.876 175.510 -0.847 0.000 1.079 1110 N CA 0.214 52.931 53.050 -0.555 0.000 0.882 1110 N CB 0.589 38.695 38.487 -0.635 0.000 1.106 1110 N HN 0.024 nan 8.380 nan 0.000 0.461 1111 Y N 0.876 120.931 120.300 -0.407 0.000 2.517 1111 Y HA 0.369 4.919 4.550 -0.001 0.000 0.330 1111 Y C -0.656 174.863 175.900 -0.635 0.000 0.917 1111 Y CA -0.578 57.301 58.100 -0.369 0.000 1.131 1111 Y CB 0.624 38.931 38.460 -0.256 0.000 1.175 1111 Y HN -0.087 nan 8.280 nan 0.000 0.620 1112 Q N 1.615 121.044 119.800 -0.619 0.000 2.337 1112 Q HA 0.425 4.765 4.340 -0.001 0.000 0.260 1112 Q C -1.100 174.641 176.000 -0.431 0.000 0.982 1112 Q CA -0.450 54.849 55.803 -0.841 0.000 0.734 1112 Q CB 1.300 29.427 28.738 -1.020 0.000 1.272 1112 Q HN 0.498 nan 8.270 nan 0.000 0.461 1113 L N 1.971 122.997 121.223 -0.328 0.000 2.461 1113 L HA 0.004 4.344 4.340 -0.001 0.000 0.259 1113 L C 0.986 177.753 176.870 -0.171 0.000 1.248 1113 L CA 0.165 54.877 54.840 -0.213 0.000 0.823 1113 L CB 0.396 42.350 42.059 -0.176 0.000 1.111 1113 L HN 0.710 nan 8.230 nan 0.000 0.516 1114 D N 0.587 120.919 120.400 -0.114 0.000 2.355 1114 D HA -0.048 4.592 4.640 -0.001 0.000 0.253 1114 D C 0.398 176.673 176.300 -0.040 0.000 1.187 1114 D CA 0.601 54.557 54.000 -0.073 0.000 0.900 1114 D CB -0.340 40.429 40.800 -0.052 0.000 0.915 1114 D HN 0.594 nan 8.370 nan 0.000 0.516 1115 N N -2.625 116.040 118.700 -0.057 0.000 2.390 1115 N HA 0.205 4.945 4.740 -0.001 0.000 0.259 1115 N C 1.166 176.663 175.510 -0.022 0.000 1.395 1115 N CA 0.023 53.081 53.050 0.013 0.000 0.852 1115 N CB 1.062 39.602 38.487 0.088 0.000 1.371 1115 N HN -0.064 nan 8.380 nan 0.000 0.491 1116 G N 1.145 109.893 108.800 -0.086 0.000 2.396 1116 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.242 1116 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.242 1116 G C 0.266 175.090 174.900 -0.127 0.000 1.069 1116 G CA 0.456 45.527 45.100 -0.048 0.000 0.633 1116 G HN 0.835 nan 8.290 nan 0.000 0.517 1117 S N 1.006 116.424 115.700 -0.471 0.000 2.549 1117 S HA 0.614 5.083 4.470 -0.001 0.000 0.283 1117 S C -0.022 174.488 174.600 -0.150 0.000 1.320 1117 S CA -0.456 57.420 58.200 -0.541 0.000 1.058 1117 S CB 0.905 63.354 63.200 -1.253 0.000 0.882 1117 S HN 0.424 nan 8.310 nan 0.000 0.498 1118 F N 2.127 121.995 119.950 -0.136 0.000 2.384 1118 F HA 0.425 4.952 4.527 -0.001 0.000 0.338 1118 F C 0.879 176.700 175.800 0.036 0.000 1.103 1118 F CA -0.853 57.142 58.000 -0.008 0.000 1.157 1118 F CB 1.326 40.361 39.000 0.059 0.000 1.167 1118 F HN 0.672 nan 8.300 nan 0.000 0.529 1119 K N 1.343 121.867 120.400 0.207 0.000 2.159 1119 K HA 0.512 4.832 4.320 -0.001 0.000 0.266 1119 K C -0.705 176.054 176.600 0.264 0.000 0.975 1119 K CA -0.918 55.492 56.287 0.206 0.000 0.865 1119 K CB 1.817 34.409 32.500 0.153 0.000 1.087 1119 K HN 0.433 nan 8.250 nan 0.000 0.446 1120 E N 1.884 122.209 120.200 0.209 0.000 2.373 1120 E HA -0.019 4.331 4.350 -0.001 0.000 0.267 1120 E C 0.036 176.719 176.600 0.140 0.000 1.032 1120 E CA 0.030 56.533 56.400 0.172 0.000 0.889 1120 E CB 1.086 30.893 29.700 0.179 0.000 0.984 1120 E HN 0.802 nan 8.360 nan 0.000 0.425 1121 N N 2.178 120.896 118.700 0.030 0.000 2.322 1121 N HA -0.063 4.677 4.740 -0.001 0.000 0.186 1121 N C 0.248 175.852 175.510 0.157 0.000 1.037 1121 N CA 1.111 54.212 53.050 0.085 0.000 0.869 1121 N CB -0.366 38.040 38.487 -0.136 0.000 1.036 1121 N HN 0.487 nan 8.380 nan 0.000 0.439 1122 S N -0.265 115.531 115.700 0.159 0.000 2.650 1122 S HA 0.013 4.483 4.470 -0.001 0.000 0.251 1122 S C 0.761 175.459 174.600 0.164 0.000 1.325 1122 S CA 0.063 58.368 58.200 0.175 0.000 0.967 1122 S CB 0.203 63.517 63.200 0.189 0.000 1.000 1122 S HN 0.333 nan 8.310 nan 0.000 0.584 1123 Q N -1.253 118.653 119.800 0.176 0.000 2.282 1123 Q HA 0.308 4.648 4.340 -0.001 0.000 0.206 1123 Q C -0.673 175.414 176.000 0.145 0.000 0.878 1123 Q CA -0.102 55.783 55.803 0.136 0.000 0.944 1123 Q CB -0.283 28.525 28.738 0.117 0.000 1.100 1123 Q HN 0.677 nan 8.270 nan 0.000 0.509 1124 Y N 2.727 123.057 120.300 0.050 0.000 2.729 1124 Y HA -0.042 4.508 4.550 -0.001 0.000 0.331 1124 Y C -0.173 175.668 175.900 -0.097 0.000 1.208 1124 Y CA 0.130 58.218 58.100 -0.019 0.000 1.521 1124 Y CB 0.451 38.827 38.460 -0.140 0.000 1.233 1124 Y HN 0.014 nan 8.280 nan 0.000 0.539 1125 Q N 9.024 128.454 119.800 -0.617 0.000 2.368 1125 Q HA 0.206 4.546 4.340 -0.001 0.000 0.256 1125 Q C -2.075 173.315 176.000 -1.017 0.000 0.980 1125 Q CA -1.831 53.603 55.803 -0.616 0.000 0.887 1125 Q CB 1.708 30.250 28.738 -0.326 0.000 1.221 1125 Q HN 0.554 nan 8.270 nan 0.000 0.458 1126 P HA -0.052 nan 4.420 nan 0.000 0.209 1126 P C 0.331 177.417 177.300 -0.357 0.000 1.201 1126 P CA 0.653 63.235 63.100 -0.865 0.000 0.911 1126 P CB 0.148 31.052 31.700 -1.327 0.000 0.758 1127 I N -3.017 117.255 120.570 -0.497 0.000 3.062 1127 I HA 0.606 4.776 4.170 -0.001 0.000 0.316 1127 I C 0.047 175.945 176.117 -0.365 0.000 1.041 1127 I CA -1.677 59.366 61.300 -0.429 0.000 1.069 1127 I CB 0.244 37.839 38.000 -0.675 0.000 1.300 1127 I HN -0.272 nan 8.210 nan 0.000 0.518 1128 K N 2.797 123.006 120.400 -0.318 0.000 2.575 1128 K HA 0.608 4.928 4.320 -0.001 0.000 0.236 1128 K C -1.650 174.818 176.600 -0.220 0.000 0.976 1128 K CA -0.238 55.905 56.287 -0.240 0.000 0.985 1128 K CB 0.226 32.592 32.500 -0.222 0.000 1.198 1128 K HN 0.744 nan 8.250 nan 0.000 0.464 1129 L N 3.351 124.465 121.223 -0.182 0.000 2.399 1129 L HA 0.356 4.696 4.340 -0.001 0.000 0.266 1129 L C 0.509 177.341 176.870 -0.063 0.000 1.114 1129 L CA -0.896 53.871 54.840 -0.121 0.000 0.804 1129 L CB 1.230 43.257 42.059 -0.052 0.000 1.146 1129 L HN 0.609 nan 8.230 nan 0.000 0.451 1130 Q N 0.652 120.428 119.800 -0.039 0.000 2.317 1130 Q HA 0.682 5.022 4.340 -0.001 0.000 0.229 1130 Q C 0.270 176.269 176.000 -0.002 0.000 0.984 1130 Q CA -0.143 55.643 55.803 -0.028 0.000 0.911 1130 Q CB 1.383 30.098 28.738 -0.038 0.000 1.217 1130 Q HN 0.845 nan 8.270 nan 0.000 0.501 1131 G N -0.142 108.653 108.800 -0.007 0.000 2.331 1131 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.402 1131 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.402 1131 G C -0.750 174.153 174.900 0.005 0.000 1.275 1131 G CA -0.658 44.448 45.100 0.010 0.000 1.003 1131 G HN 0.560 nan 8.290 nan 0.000 0.500 1132 T N 0.197 114.760 114.554 0.014 0.000 2.810 1132 T HA 0.470 4.820 4.350 -0.001 0.000 0.277 1132 T C 1.878 176.587 174.700 0.015 0.000 0.973 1132 T CA 0.013 62.120 62.100 0.012 0.000 0.949 1132 T CB 0.876 69.754 68.868 0.016 0.000 1.075 1132 T HN 0.510 nan 8.240 nan 0.000 0.537 1133 L N 1.444 122.675 121.223 0.013 0.000 2.042 1133 L HA 0.009 4.349 4.340 -0.001 0.000 0.210 1133 L C -0.612 176.272 176.870 0.025 0.000 1.076 1133 L CA 2.106 56.956 54.840 0.016 0.000 0.749 1133 L CB -1.764 40.303 42.059 0.014 0.000 0.893 1133 L HN 0.552 nan 8.230 nan 0.000 0.432 1134 P HA -0.026 nan 4.420 nan 0.000 0.215 1134 P C 2.102 179.429 177.300 0.045 0.000 1.160 1134 P CA 0.721 63.843 63.100 0.036 0.000 0.869 1134 P CB 0.081 31.800 31.700 0.033 0.000 0.782 1135 V N 0.755 120.694 119.914 0.041 0.000 2.324 1135 V HA -0.292 3.828 4.120 -0.001 0.000 0.250 1135 V C 2.574 178.701 176.094 0.056 0.000 1.060 1135 V CA 2.301 64.630 62.300 0.049 0.000 1.042 1135 V CB -1.114 30.736 31.823 0.044 0.000 0.650 1135 V HN 0.252 nan 8.190 nan 0.000 0.450 1136 E N 0.054 120.280 120.200 0.043 0.000 2.047 1136 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 1136 E C 2.244 178.878 176.600 0.056 0.000 0.987 1136 E CA 1.262 57.686 56.400 0.040 0.000 0.799 1136 E CB -0.285 29.425 29.700 0.017 0.000 0.752 1136 E HN 0.547 nan 8.360 nan 0.000 0.449 1137 A N 1.525 124.378 122.820 0.055 0.000 1.883 1137 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 1137 A C 2.244 179.889 177.584 0.101 0.000 1.186 1137 A CA 1.824 53.902 52.037 0.069 0.000 0.624 1137 A CB -0.687 18.349 19.000 0.060 0.000 0.822 1137 A HN 0.274 nan 8.150 nan 0.000 0.444 1138 R N -0.608 119.954 120.500 0.103 0.000 2.080 1138 R HA -0.165 4.175 4.340 -0.001 0.000 0.236 1138 R C 2.214 178.609 176.300 0.157 0.000 1.137 1138 R CA 1.748 57.928 56.100 0.134 0.000 0.943 1138 R CB -0.265 30.098 30.300 0.104 0.000 0.846 1138 R HN 0.531 nan 8.270 nan 0.000 0.431 1139 E N 0.328 120.606 120.200 0.131 0.000 2.049 1139 E HA -0.266 4.083 4.350 -0.001 0.000 0.198 1139 E C 1.741 178.458 176.600 0.195 0.000 1.007 1139 E CA 1.372 57.864 56.400 0.152 0.000 0.809 1139 E CB -0.558 29.215 29.700 0.121 0.000 0.749 1139 E HN 0.497 nan 8.360 nan 0.000 0.450 1140 N N 0.107 118.899 118.700 0.153 0.000 2.149 1140 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 1140 N C 1.963 177.620 175.510 0.245 0.000 1.019 1140 N CA 1.207 54.357 53.050 0.167 0.000 0.857 1140 N CB 0.016 38.557 38.487 0.090 0.000 0.997 1140 N HN -0.050 nan 8.380 nan 0.000 0.426 1141 S N 0.303 116.134 115.700 0.219 0.000 2.406 1141 S HA 0.032 4.502 4.470 -0.001 0.000 0.228 1141 S C 1.891 176.670 174.600 0.298 0.000 1.020 1141 S CA 0.247 58.583 58.200 0.226 0.000 0.965 1141 S CB -0.073 63.240 63.200 0.189 0.000 0.798 1141 S HN 0.311 nan 8.310 nan 0.000 0.488 1142 L N -0.004 121.419 121.223 0.334 0.000 2.005 1142 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 1142 L C 2.254 179.279 176.870 0.258 0.000 1.072 1142 L CA 1.970 57.007 54.840 0.328 0.000 0.744 1142 L CB -0.602 41.594 42.059 0.228 0.000 0.895 1142 L HN 0.498 nan 8.230 nan 0.000 0.433 1143 Y N -0.056 120.341 120.300 0.161 0.000 2.081 1143 Y HA -0.369 4.180 4.550 -0.001 0.000 0.280 1143 Y C 2.288 178.318 175.900 0.216 0.000 1.163 1143 Y CA 2.196 60.389 58.100 0.156 0.000 1.135 1143 Y CB -0.353 38.234 38.460 0.212 0.000 0.970 1143 Y HN 0.189 nan 8.280 nan 0.000 0.498 1144 L N -0.032 121.362 121.223 0.285 0.000 1.994 1144 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 1144 L C 2.385 179.342 176.870 0.145 0.000 1.071 1144 L CA 2.706 57.688 54.840 0.236 0.000 0.745 1144 L CB -1.345 40.907 42.059 0.322 0.000 0.892 1144 L HN 0.325 nan 8.230 nan 0.000 0.431 1145 T N -0.044 114.604 114.554 0.157 0.000 2.699 1145 T HA -0.236 4.113 4.350 -0.001 0.000 0.268 1145 T C 1.805 176.511 174.700 0.009 0.000 1.036 1145 T CA 1.555 63.721 62.100 0.109 0.000 1.147 1145 T CB -0.558 68.423 68.868 0.189 0.000 0.862 1145 T HN 0.535 nan 8.240 nan 0.000 0.446 1146 A N 0.075 122.907 122.820 0.019 0.000 2.014 1146 A HA 0.109 4.428 4.320 -0.001 0.000 0.218 1146 A C 1.945 179.468 177.584 -0.102 0.000 1.163 1146 A CA 0.809 52.814 52.037 -0.054 0.000 0.652 1146 A CB -0.737 18.217 19.000 -0.077 0.000 0.808 1146 A HN 0.519 nan 8.150 nan 0.000 0.449 1147 F N 0.532 120.319 119.950 -0.272 0.000 2.234 1147 F HA -0.065 4.462 4.527 -0.001 0.000 0.296 1147 F C 2.578 178.245 175.800 -0.221 0.000 1.089 1147 F CA 2.008 59.844 58.000 -0.274 0.000 1.343 1147 F CB -0.114 38.664 39.000 -0.370 0.000 1.040 1147 F HN 0.242 nan 8.300 nan 0.000 0.498 1148 T N -1.447 113.052 114.554 -0.090 0.000 3.067 1148 T HA -0.019 4.330 4.350 -0.001 0.000 0.261 1148 T C 1.921 176.393 174.700 -0.379 0.000 1.110 1148 T CA 1.207 63.143 62.100 -0.275 0.000 1.113 1148 T CB -0.525 68.089 68.868 -0.423 0.000 0.917 1148 T HN 0.077 nan 8.240 nan 0.000 0.499 1149 V N 1.360 121.087 119.914 -0.311 0.000 2.379 1149 V HA 0.006 4.125 4.120 -0.001 0.000 0.245 1149 V C 2.569 178.540 176.094 -0.205 0.000 1.044 1149 V CA 1.499 63.656 62.300 -0.239 0.000 1.036 1149 V CB -0.445 31.279 31.823 -0.164 0.000 0.664 1149 V HN 0.545 nan 8.190 nan 0.000 0.453 1150 I N 0.582 121.029 120.570 -0.203 0.000 2.151 1150 I HA -0.240 3.930 4.170 -0.001 0.000 0.243 1150 I C 2.566 178.562 176.117 -0.203 0.000 1.080 1150 I CA 1.895 63.097 61.300 -0.164 0.000 1.339 1150 I CB -1.129 36.799 38.000 -0.120 0.000 1.039 1150 I HN 0.427 nan 8.210 nan 0.000 0.409 1151 G N 1.558 110.187 108.800 -0.285 0.000 2.511 1151 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 1151 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 1151 G C 1.657 176.462 174.900 -0.158 0.000 1.218 1151 G CA 0.818 45.763 45.100 -0.258 0.000 0.788 1151 G HN 0.344 nan 8.290 nan 0.000 0.560 1152 I N 0.240 120.732 120.570 -0.129 0.000 2.335 1152 I HA -0.178 3.992 4.170 -0.001 0.000 0.251 1152 I C 3.041 179.166 176.117 0.012 0.000 1.129 1152 I CA 0.794 62.075 61.300 -0.032 0.000 1.402 1152 I CB -0.206 37.782 38.000 -0.020 0.000 1.069 1152 I HN 0.024 nan 8.210 nan 0.000 0.424 1153 R N 1.162 121.621 120.500 -0.068 0.000 2.064 1153 R HA -0.078 4.262 4.340 -0.001 0.000 0.228 1153 R C 2.194 178.476 176.300 -0.030 0.000 1.144 1153 R CA 1.129 57.185 56.100 -0.073 0.000 0.932 1153 R CB -0.750 29.461 30.300 -0.148 0.000 0.833 1153 R HN 0.269 nan 8.270 nan 0.000 0.429 1154 K N 0.407 120.761 120.400 -0.076 0.000 2.228 1154 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 1154 K C 1.514 178.069 176.600 -0.076 0.000 1.045 1154 K CA 1.552 57.790 56.287 -0.082 0.000 0.931 1154 K CB -0.036 32.385 32.500 -0.131 0.000 0.727 1154 K HN 0.200 nan 8.250 nan 0.000 0.458 1155 A N -0.666 122.121 122.820 -0.055 0.000 2.508 1155 A HA 0.122 4.442 4.320 -0.001 0.000 0.257 1155 A C 1.362 178.944 177.584 -0.005 0.000 1.226 1155 A CA -0.482 51.517 52.037 -0.063 0.000 0.947 1155 A CB -0.209 18.727 19.000 -0.107 0.000 1.079 1155 A HN 0.228 nan 8.150 nan 0.000 0.531 1156 F N 1.249 121.149 119.950 -0.083 0.000 2.134 1156 F HA -0.185 4.342 4.527 -0.001 0.000 0.299 1156 F C 1.473 177.241 175.800 -0.053 0.000 1.097 1156 F CA 2.093 60.057 58.000 -0.060 0.000 1.264 1156 F CB 0.121 39.086 39.000 -0.057 0.000 1.001 1156 F HN 0.247 nan 8.300 nan 0.000 0.479 1157 D N 0.744 121.137 120.400 -0.012 0.000 2.265 1157 D HA -0.154 4.486 4.640 -0.001 0.000 0.208 1157 D C 2.239 178.420 176.300 -0.198 0.000 0.977 1157 D CA 1.376 55.317 54.000 -0.099 0.000 0.871 1157 D CB -0.244 40.567 40.800 0.019 0.000 0.925 1157 D HN 0.432 nan 8.370 nan 0.000 0.485 1158 I N -0.857 119.600 120.570 -0.189 0.000 2.546 1158 I HA -0.112 4.058 4.170 -0.001 0.000 0.255 1158 I C 1.347 177.339 176.117 -0.209 0.000 1.163 1158 I CA 0.439 61.640 61.300 -0.165 0.000 1.457 1158 I CB 0.202 38.122 38.000 -0.132 0.000 1.092 1158 I HN 0.000 nan 8.210 nan 0.000 0.434 1159 c N 3.169 121.581 118.600 -0.313 0.000 3.471 1159 c HA 0.345 4.914 4.570 -0.001 0.000 0.191 1159 c C -2.405 171.362 174.090 -0.538 0.000 1.480 1159 c CA -1.517 54.624 56.329 -0.314 0.000 1.281 1159 c CB -0.353 42.037 42.510 -0.201 0.000 1.898 1159 c HN 0.073 nan 8.230 nan 0.000 0.533 1160 P HA 0.070 nan 4.420 nan 0.000 0.262 1160 P C -0.330 176.785 177.300 -0.309 0.000 1.455 1160 P CA 0.517 63.067 63.100 -0.916 0.000 1.217 1160 P CB 0.154 31.574 31.700 -0.466 0.000 1.625 1161 L N 5.252 126.364 121.223 -0.184 0.000 2.309 1161 L HA 0.094 4.433 4.340 -0.001 0.000 0.282 1161 L C 1.854 178.772 176.870 0.081 0.000 1.036 1161 L CA -0.340 54.484 54.840 -0.026 0.000 0.806 1161 L CB 2.032 44.078 42.059 -0.021 0.000 1.220 1161 L HN 0.035 nan 8.230 nan 0.000 0.429 1162 V N 2.435 122.384 119.914 0.059 0.000 2.453 1162 V HA -0.244 3.875 4.120 -0.001 0.000 0.252 1162 V C 2.117 178.254 176.094 0.072 0.000 1.068 1162 V CA 1.963 64.305 62.300 0.070 0.000 1.070 1162 V CB -1.002 30.846 31.823 0.041 0.000 0.664 1162 V HN 0.916 nan 8.190 nan 0.000 0.461 1163 K N 1.151 121.589 120.400 0.062 0.000 2.116 1163 K HA 0.057 4.377 4.320 -0.001 0.000 0.203 1163 K C 2.071 178.721 176.600 0.083 0.000 1.052 1163 K CA 1.673 57.994 56.287 0.057 0.000 0.952 1163 K CB -0.150 32.375 32.500 0.042 0.000 0.729 1163 K HN 0.762 nan 8.250 nan 0.000 0.446 1164 I N -2.178 118.464 120.570 0.120 0.000 3.427 1164 I HA 0.052 4.222 4.170 -0.001 0.000 0.288 1164 I C 1.487 177.725 176.117 0.202 0.000 1.249 1164 I CA 0.743 62.141 61.300 0.163 0.000 1.421 1164 I CB -0.131 37.976 38.000 0.180 0.000 1.086 1164 I HN 0.006 nan 8.210 nan 0.000 0.448 1165 D N 2.100 122.637 120.400 0.229 0.000 2.097 1165 D HA -0.203 4.437 4.640 -0.001 0.000 0.195 1165 D C 1.970 178.299 176.300 0.049 0.000 0.989 1165 D CA 2.397 56.485 54.000 0.146 0.000 0.827 1165 D CB -0.033 40.867 40.800 0.165 0.000 0.966 1165 D HN 0.268 nan 8.370 nan 0.000 0.456 1166 T N -0.206 114.385 114.554 0.062 0.000 2.684 1166 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 1166 T C 1.990 176.718 174.700 0.047 0.000 1.036 1166 T CA 1.932 64.056 62.100 0.040 0.000 1.148 1166 T CB -0.763 68.127 68.868 0.037 0.000 0.863 1166 T HN 0.331 nan 8.240 nan 0.000 0.436 1167 A N 1.023 123.887 122.820 0.073 0.000 1.940 1167 A HA -0.046 4.273 4.320 -0.001 0.000 0.219 1167 A C 2.338 180.002 177.584 0.133 0.000 1.176 1167 A CA 1.278 53.378 52.037 0.105 0.000 0.631 1167 A CB -0.913 18.175 19.000 0.148 0.000 0.814 1167 A HN 0.479 nan 8.150 nan 0.000 0.446 1168 L N -0.847 120.426 121.223 0.083 0.000 1.989 1168 L HA -0.222 4.118 4.340 -0.001 0.000 0.211 1168 L C 2.570 179.444 176.870 0.007 0.000 1.071 1168 L CA 1.693 56.544 54.840 0.019 0.000 0.749 1168 L CB -0.463 41.541 42.059 -0.093 0.000 0.890 1168 L HN 0.412 nan 8.230 nan 0.000 0.431 1169 I N -0.363 120.202 120.570 -0.008 0.000 2.127 1169 I HA -0.325 3.844 4.170 -0.001 0.000 0.241 1169 I C 2.532 178.666 176.117 0.028 0.000 1.075 1169 I CA 1.212 62.507 61.300 -0.007 0.000 1.334 1169 I CB -0.322 37.674 38.000 -0.008 0.000 1.040 1169 I HN 0.218 nan 8.210 nan 0.000 0.405 1170 K N 0.951 121.379 120.400 0.046 0.000 2.113 1170 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 1170 K C 2.103 178.766 176.600 0.105 0.000 1.047 1170 K CA 1.693 58.017 56.287 0.062 0.000 0.928 1170 K CB -0.850 31.674 32.500 0.041 0.000 0.716 1170 K HN 0.401 nan 8.250 nan 0.000 0.446 1171 A N 1.960 124.860 122.820 0.133 0.000 1.873 1171 A HA -0.169 4.151 4.320 -0.001 0.000 0.215 1171 A C 1.906 179.580 177.584 0.150 0.000 1.186 1171 A CA 1.699 53.850 52.037 0.189 0.000 0.616 1171 A CB -0.456 18.681 19.000 0.228 0.000 0.823 1171 A HN 0.175 nan 8.150 nan 0.000 0.442 1172 D N 0.123 120.559 120.400 0.059 0.000 2.133 1172 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 1172 D C 1.786 178.090 176.300 0.007 0.000 0.997 1172 D CA 1.327 55.326 54.000 -0.001 0.000 0.840 1172 D CB -0.564 40.198 40.800 -0.064 0.000 0.947 1172 D HN 0.588 nan 8.370 nan 0.000 0.452 1173 N N -0.522 118.198 118.700 0.032 0.000 2.104 1173 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 1173 N C 1.843 177.391 175.510 0.063 0.000 1.024 1173 N CA 0.655 53.721 53.050 0.026 0.000 0.853 1173 N CB -0.255 38.263 38.487 0.051 0.000 1.008 1173 N HN 0.130 nan 8.380 nan 0.000 0.424 1174 F N 2.079 122.029 119.950 0.000 0.000 2.134 1174 F HA -0.099 4.427 4.527 -0.001 0.000 0.299 1174 F C 2.040 177.845 175.800 0.008 0.000 1.097 1174 F CA 1.078 59.087 58.000 0.017 0.000 1.264 1174 F CB -0.268 38.759 39.000 0.046 0.000 1.001 1174 F HN -0.057 nan 8.300 nan 0.000 0.479 1175 L N -0.169 121.113 121.223 0.097 0.000 2.046 1175 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 1175 L C 2.441 179.247 176.870 -0.107 0.000 1.077 1175 L CA 1.235 56.067 54.840 -0.012 0.000 0.747 1175 L CB -0.768 41.316 42.059 0.042 0.000 0.896 1175 L HN 0.231 nan 8.230 nan 0.000 0.432 1176 L N -0.727 120.432 121.223 -0.107 0.000 2.056 1176 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 1176 L C 1.985 178.775 176.870 -0.133 0.000 1.078 1176 L CA 1.285 56.048 54.840 -0.129 0.000 0.749 1176 L CB -0.427 41.508 42.059 -0.208 0.000 0.901 1176 L HN 0.262 nan 8.230 nan 0.000 0.433 1177 E N -0.283 119.821 120.200 -0.161 0.000 2.445 1177 E HA 0.009 4.358 4.350 -0.001 0.000 0.189 1177 E C 0.490 176.933 176.600 -0.262 0.000 1.069 1177 E CA -0.039 56.265 56.400 -0.160 0.000 0.871 1177 E CB 0.220 29.857 29.700 -0.106 0.000 0.991 1177 E HN 0.431 nan 8.360 nan 0.000 0.481 1178 N N -1.012 117.472 118.700 -0.360 0.000 1.986 1178 N HA 0.049 4.789 4.740 -0.001 0.000 0.227 1178 N C 0.563 175.923 175.510 -0.250 0.000 1.387 1178 N CA 0.213 53.008 53.050 -0.426 0.000 0.810 1178 N CB 1.142 39.032 38.487 -0.994 0.000 1.140 1178 N HN -0.054 nan 8.380 nan 0.000 0.504 1179 T N 1.196 115.650 114.554 -0.167 0.000 2.925 1179 T HA 0.220 4.569 4.350 -0.001 0.000 0.245 1179 T C 2.104 176.774 174.700 -0.050 0.000 1.025 1179 T CA 0.109 62.160 62.100 -0.081 0.000 1.149 1179 T CB 0.378 69.215 68.868 -0.051 0.000 0.866 1179 T HN 0.028 nan 8.240 nan 0.000 0.437 1180 L N 1.047 122.239 121.223 -0.052 0.000 2.034 1180 L HA -0.084 4.256 4.340 -0.001 0.000 0.217 1180 L C -1.175 175.683 176.870 -0.021 0.000 1.077 1180 L CA 1.135 55.956 54.840 -0.031 0.000 0.769 1180 L CB -1.512 40.528 42.059 -0.030 0.000 0.890 1180 L HN 0.210 nan 8.230 nan 0.000 0.435 1181 P HA 0.105 nan 4.420 nan 0.000 0.249 1181 P C -0.718 176.582 177.300 0.001 0.000 1.737 1181 P CA 0.073 63.166 63.100 -0.011 0.000 1.128 1181 P CB 0.268 31.960 31.700 -0.012 0.000 1.942 1182 A N 2.357 125.181 122.820 0.007 0.000 2.492 1182 A HA 0.040 4.360 4.320 -0.001 0.000 0.254 1182 A C 1.408 179.016 177.584 0.041 0.000 1.091 1182 A CA 0.125 52.177 52.037 0.025 0.000 0.768 1182 A CB 0.305 19.323 19.000 0.031 0.000 1.028 1182 A HN 0.343 nan 8.150 nan 0.000 0.498 1183 Q N 1.761 121.597 119.800 0.060 0.000 2.339 1183 Q HA 0.149 4.489 4.340 -0.001 0.000 0.205 1183 Q C 0.563 176.633 176.000 0.116 0.000 0.925 1183 Q CA 1.370 57.222 55.803 0.082 0.000 0.898 1183 Q CB 0.304 29.092 28.738 0.083 0.000 1.013 1183 Q HN 0.800 nan 8.270 nan 0.000 0.504 1184 S N -2.054 113.722 115.700 0.127 0.000 2.540 1184 S HA 0.361 4.831 4.470 -0.001 0.000 0.275 1184 S C 0.311 175.012 174.600 0.170 0.000 1.123 1184 S CA -0.342 57.960 58.200 0.169 0.000 0.907 1184 S CB 1.404 64.731 63.200 0.211 0.000 1.081 1184 S HN 0.207 nan 8.310 nan 0.000 0.476 1185 T N 3.388 118.060 114.554 0.197 0.000 2.759 1185 T HA -0.072 4.278 4.350 -0.001 0.000 0.269 1185 T C 1.362 176.184 174.700 0.204 0.000 1.042 1185 T CA 2.033 64.258 62.100 0.209 0.000 1.140 1185 T CB -0.516 68.516 68.868 0.274 0.000 0.864 1185 T HN 0.641 nan 8.240 nan 0.000 0.455 1186 F N 1.929 121.951 119.950 0.120 0.000 2.113 1186 F HA -0.128 4.399 4.527 -0.001 0.000 0.297 1186 F C 2.430 178.278 175.800 0.080 0.000 1.103 1186 F CA 1.388 59.459 58.000 0.119 0.000 1.248 1186 F CB -0.726 38.350 39.000 0.127 0.000 0.999 1186 F HN 0.043 nan 8.300 nan 0.000 0.475 1187 T N 1.499 116.132 114.554 0.132 0.000 2.777 1187 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 1187 T C 1.851 176.509 174.700 -0.069 0.000 1.040 1187 T CA 1.382 63.496 62.100 0.024 0.000 1.141 1187 T CB -0.614 68.352 68.868 0.163 0.000 0.868 1187 T HN 0.245 nan 8.240 nan 0.000 0.444 1188 L N 1.676 122.893 121.223 -0.010 0.000 2.012 1188 L HA -0.003 4.337 4.340 -0.001 0.000 0.210 1188 L C 2.641 179.466 176.870 -0.075 0.000 1.073 1188 L CA 2.033 56.862 54.840 -0.018 0.000 0.748 1188 L CB -1.142 40.934 42.059 0.028 0.000 0.891 1188 L HN 0.232 nan 8.230 nan 0.000 0.431 1189 A N -0.187 122.559 122.820 -0.123 0.000 1.883 1189 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 1189 A C 2.281 179.732 177.584 -0.222 0.000 1.186 1189 A CA 2.216 54.162 52.037 -0.153 0.000 0.624 1189 A CB -0.906 18.015 19.000 -0.131 0.000 0.822 1189 A HN 0.521 nan 8.150 nan 0.000 0.444 1190 I N -0.811 119.426 120.570 -0.555 0.000 2.099 1190 I HA -0.248 3.921 4.170 -0.001 0.000 0.239 1190 I C 2.840 178.816 176.117 -0.234 0.000 1.066 1190 I CA 1.681 62.554 61.300 -0.711 0.000 1.324 1190 I CB -0.664 36.781 38.000 -0.926 0.000 1.037 1190 I HN 0.446 nan 8.210 nan 0.000 0.401 1191 S N 0.602 116.203 115.700 -0.166 0.000 2.381 1191 S HA -0.305 4.165 4.470 -0.001 0.000 0.230 1191 S C 2.159 176.767 174.600 0.013 0.000 1.052 1191 S CA 1.898 60.066 58.200 -0.054 0.000 1.068 1191 S CB -0.301 62.883 63.200 -0.027 0.000 0.918 1191 S HN 0.510 nan 8.310 nan 0.000 0.448 1192 A N 0.142 122.989 122.820 0.045 0.000 1.851 1192 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 1192 A C 2.059 179.770 177.584 0.211 0.000 1.195 1192 A CA 1.869 54.011 52.037 0.174 0.000 0.622 1192 A CB -1.440 17.622 19.000 0.105 0.000 0.831 1192 A HN 0.789 nan 8.150 nan 0.000 0.444 1193 Y N 0.689 121.014 120.300 0.042 0.000 2.207 1193 Y HA -0.120 4.429 4.550 -0.001 0.000 0.287 1193 Y C 2.591 178.484 175.900 -0.012 0.000 1.156 1193 Y CA 1.338 59.475 58.100 0.063 0.000 1.182 1193 Y CB -0.458 38.096 38.460 0.158 0.000 0.979 1193 Y HN 0.317 nan 8.280 nan 0.000 0.521 1194 A N 0.350 123.140 122.820 -0.051 0.000 1.877 1194 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 1194 A C 2.231 179.655 177.584 -0.268 0.000 1.186 1194 A CA 1.875 53.811 52.037 -0.168 0.000 0.620 1194 A CB -1.135 17.812 19.000 -0.088 0.000 0.822 1194 A HN 0.544 nan 8.150 nan 0.000 0.443 1195 L N -0.374 120.706 121.223 -0.240 0.000 2.141 1195 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 1195 L C 2.730 179.195 176.870 -0.674 0.000 1.094 1195 L CA 1.313 55.910 54.840 -0.405 0.000 0.763 1195 L CB -0.488 41.362 42.059 -0.348 0.000 0.908 1195 L HN 0.475 nan 8.230 nan 0.000 0.437 1196 S N 0.174 115.531 115.700 -0.572 0.000 2.493 1196 S HA -0.093 4.377 4.470 -0.001 0.000 0.243 1196 S C 1.516 175.861 174.600 -0.426 0.000 0.991 1196 S CA 0.878 58.790 58.200 -0.480 0.000 0.957 1196 S CB -0.238 62.877 63.200 -0.142 0.000 0.756 1196 S HN 0.422 nan 8.310 nan 0.000 0.521 1197 L N 0.508 121.459 121.223 -0.453 0.000 2.741 1197 L HA 0.418 4.758 4.340 -0.001 0.000 0.237 1197 L C 1.262 177.956 176.870 -0.294 0.000 1.178 1197 L CA -0.087 54.540 54.840 -0.356 0.000 0.973 1197 L CB 0.145 41.980 42.059 -0.374 0.000 1.255 1197 L HN 0.399 nan 8.230 nan 0.000 0.498 1198 G N -1.217 107.387 108.800 -0.328 0.000 3.324 1198 G HA2 0.046 4.006 3.960 -0.001 0.000 0.188 1198 G HA3 0.046 4.006 3.960 -0.001 0.000 0.188 1198 G C -1.207 173.542 174.900 -0.251 0.000 1.384 1198 G CA -0.146 44.788 45.100 -0.277 0.000 0.841 1198 G HN 0.043 nan 8.290 nan 0.000 0.758 1199 D N 1.238 121.495 120.400 -0.239 0.000 2.339 1199 D HA 0.266 4.906 4.640 -0.001 0.000 0.241 1199 D C 0.743 176.902 176.300 -0.235 0.000 1.183 1199 D CA -0.335 53.569 54.000 -0.160 0.000 0.859 1199 D CB 0.844 41.611 40.800 -0.054 0.000 1.067 1199 D HN 0.382 nan 8.370 nan 0.000 0.484 1200 K N 1.505 121.811 120.400 -0.156 0.000 2.500 1200 K HA 0.096 4.416 4.320 -0.001 0.000 0.206 1200 K C 0.643 177.418 176.600 0.291 0.000 1.034 1200 K CA -0.122 56.136 56.287 -0.047 0.000 1.179 1200 K CB 0.019 32.530 32.500 0.019 0.000 0.884 1200 K HN 0.340 nan 8.250 nan 0.000 0.493 1201 T N -3.895 110.775 114.554 0.193 0.000 3.016 1201 T HA 0.018 4.367 4.350 -0.001 0.000 0.271 1201 T C 0.221 175.020 174.700 0.166 0.000 0.968 1201 T CA -0.365 61.833 62.100 0.163 0.000 0.891 1201 T CB -0.448 68.462 68.868 0.071 0.000 1.149 1201 T HN 0.364 nan 8.240 nan 0.000 0.524 1202 H N 3.321 122.460 119.070 0.115 0.000 3.034 1202 H HA 0.162 4.717 4.556 -0.001 0.000 0.324 1202 H C -1.609 173.784 175.328 0.108 0.000 1.015 1202 H CA -0.959 55.143 56.048 0.090 0.000 1.429 1202 H CB 1.067 30.875 29.762 0.076 0.000 1.429 1202 H HN -0.043 nan 8.280 nan 0.000 0.585 1203 P HA -0.209 nan 4.420 nan 0.000 0.216 1203 P C 1.298 178.715 177.300 0.195 0.000 1.150 1203 P CA 1.165 64.326 63.100 0.100 0.000 0.837 1203 P CB 0.253 31.957 31.700 0.007 0.000 0.786 1204 Q N -1.105 118.956 119.800 0.436 0.000 2.124 1204 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 1204 Q C 1.877 177.968 176.000 0.152 0.000 0.977 1204 Q CA 1.465 57.409 55.803 0.235 0.000 0.850 1204 Q CB -1.273 27.547 28.738 0.136 0.000 0.901 1204 Q HN 0.155 nan 8.270 nan 0.000 0.429 1205 F N 0.731 120.711 119.950 0.051 0.000 2.102 1205 F HA -0.088 4.439 4.527 -0.001 0.000 0.298 1205 F C 1.826 177.631 175.800 0.008 0.000 1.105 1205 F CA 1.650 59.649 58.000 -0.002 0.000 1.239 1205 F CB -0.287 38.715 39.000 0.003 0.000 0.991 1205 F HN 0.020 nan 8.300 nan 0.000 0.474 1206 R N -0.323 120.062 120.500 -0.192 0.000 2.105 1206 R HA -0.169 4.171 4.340 -0.001 0.000 0.239 1206 R C 2.580 178.748 176.300 -0.220 0.000 1.135 1206 R CA 1.362 57.282 56.100 -0.301 0.000 0.967 1206 R CB -1.009 29.224 30.300 -0.111 0.000 0.861 1206 R HN 0.352 nan 8.270 nan 0.000 0.442 1207 S N 1.059 116.695 115.700 -0.107 0.000 2.356 1207 S HA -0.104 4.366 4.470 -0.001 0.000 0.223 1207 S C 2.004 176.544 174.600 -0.101 0.000 1.032 1207 S CA 1.031 59.186 58.200 -0.075 0.000 1.005 1207 S CB -0.109 63.077 63.200 -0.022 0.000 0.867 1207 S HN 0.213 nan 8.310 nan 0.000 0.449 1208 I N 1.296 121.799 120.570 -0.111 0.000 2.226 1208 I HA -0.128 4.042 4.170 -0.001 0.000 0.245 1208 I C 2.178 178.207 176.117 -0.147 0.000 1.100 1208 I CA 1.127 62.371 61.300 -0.093 0.000 1.374 1208 I CB -0.591 37.394 38.000 -0.024 0.000 1.057 1208 I HN 0.214 nan 8.210 nan 0.000 0.413 1209 V N -0.025 119.702 119.914 -0.312 0.000 2.759 1209 V HA -0.224 3.896 4.120 -0.001 0.000 0.256 1209 V C 2.549 178.543 176.094 -0.167 0.000 1.080 1209 V CA 1.782 63.909 62.300 -0.288 0.000 1.101 1209 V CB -0.433 31.092 31.823 -0.496 0.000 0.698 1209 V HN 0.419 nan 8.190 nan 0.000 0.477 1210 S N 0.249 115.859 115.700 -0.151 0.000 2.345 1210 S HA -0.161 4.308 4.470 -0.001 0.000 0.220 1210 S C 2.254 176.829 174.600 -0.042 0.000 1.031 1210 S CA 1.560 59.703 58.200 -0.094 0.000 0.996 1210 S CB -0.327 62.822 63.200 -0.084 0.000 0.882 1210 S HN 0.605 nan 8.310 nan 0.000 0.445 1211 A N 1.818 124.618 122.820 -0.033 0.000 1.873 1211 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 1211 A C 2.197 179.812 177.584 0.051 0.000 1.193 1211 A CA 1.989 54.027 52.037 0.002 0.000 0.629 1211 A CB -1.201 17.797 19.000 -0.003 0.000 0.826 1211 A HN 0.590 nan 8.150 nan 0.000 0.447 1212 L N -0.207 121.048 121.223 0.053 0.000 1.989 1212 L HA -0.139 4.201 4.340 -0.001 0.000 0.211 1212 L C 2.227 179.281 176.870 0.308 0.000 1.071 1212 L CA 2.808 57.730 54.840 0.137 0.000 0.749 1212 L CB -0.714 41.367 42.059 0.036 0.000 0.890 1212 L HN 0.405 nan 8.230 nan 0.000 0.431 1213 K N -0.862 119.661 120.400 0.205 0.000 2.442 1213 K HA -0.181 4.138 4.320 -0.001 0.000 0.198 1213 K C 2.271 178.975 176.600 0.174 0.000 1.044 1213 K CA 0.973 57.413 56.287 0.256 0.000 0.948 1213 K CB -0.125 32.357 32.500 -0.029 0.000 0.762 1213 K HN 0.339 nan 8.250 nan 0.000 0.472 1214 R N 0.065 120.630 120.500 0.110 0.000 2.161 1214 R HA -0.022 4.317 4.340 -0.001 0.000 0.213 1214 R C 0.785 177.105 176.300 0.034 0.000 1.055 1214 R CA 0.870 56.997 56.100 0.044 0.000 0.996 1214 R CB 0.297 30.607 30.300 0.017 0.000 0.901 1214 R HN 0.140 nan 8.270 nan 0.000 0.456 1215 E N 0.597 120.866 120.200 0.114 0.000 2.478 1215 E HA 0.090 4.440 4.350 -0.001 0.000 0.194 1215 E C 0.276 176.793 176.600 -0.138 0.000 1.045 1215 E CA 0.271 56.714 56.400 0.072 0.000 0.868 1215 E CB 0.440 30.261 29.700 0.201 0.000 0.885 1215 E HN 0.319 nan 8.360 nan 0.000 0.505 1216 A N 1.316 123.951 122.820 -0.308 0.000 2.492 1216 A HA 0.280 4.599 4.320 -0.001 0.000 0.236 1216 A C 0.358 177.458 177.584 -0.806 0.000 1.078 1216 A CA 0.173 51.533 52.037 -1.128 0.000 0.773 1216 A CB 0.235 18.637 19.000 -0.996 0.000 1.023 1216 A HN 0.142 nan 8.150 nan 0.000 0.504 1217 L N 0.296 120.873 121.223 -1.078 0.000 2.271 1217 L HA 0.800 5.139 4.340 -0.001 0.000 0.265 1217 L C -0.508 175.860 176.870 -0.836 0.000 1.013 1217 L CA -1.053 53.252 54.840 -0.890 0.000 0.820 1217 L CB 1.799 43.182 42.059 -1.126 0.000 1.352 1217 L HN 0.664 nan 8.230 nan 0.000 0.443 1218 V N -1.439 118.152 119.914 -0.539 0.000 3.012 1218 V HA 0.547 4.667 4.120 -0.001 0.000 0.307 1218 V C -1.103 174.956 176.094 -0.057 0.000 1.166 1218 V CA -0.946 61.188 62.300 -0.276 0.000 0.974 1218 V CB 1.967 33.679 31.823 -0.184 0.000 1.040 1218 V HN 0.644 nan 8.190 nan 0.000 0.428 1219 K N 1.790 122.263 120.400 0.121 0.000 2.450 1219 K HA 0.745 5.064 4.320 -0.001 0.000 0.257 1219 K C -0.006 176.700 176.600 0.176 0.000 0.953 1219 K CA 0.232 56.650 56.287 0.218 0.000 0.844 1219 K CB 1.542 34.279 32.500 0.395 0.000 1.103 1219 K HN 1.841 nan 8.250 nan 0.000 0.429 1220 G N 2.335 111.196 108.800 0.102 0.000 2.895 1220 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.686 1220 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.686 1220 G C -1.224 173.690 174.900 0.024 0.000 1.108 1220 G CA -0.928 44.211 45.100 0.065 0.000 0.761 1220 G HN 0.684 nan 8.290 nan 0.000 0.611 1221 N N 2.210 120.919 118.700 0.014 0.000 2.444 1221 N HA 0.592 5.332 4.740 -0.001 0.000 0.262 1221 N C -1.641 173.870 175.510 0.001 0.000 0.974 1221 N CA -1.274 51.778 53.050 0.002 0.000 0.933 1221 N CB 1.137 39.623 38.487 -0.000 0.000 1.137 1221 N HN 0.438 nan 8.380 nan 0.000 0.498 1222 P HA 0.361 nan 4.420 nan 0.000 0.276 1222 P C -2.746 174.545 177.300 -0.015 0.000 1.261 1222 P CA -1.204 61.891 63.100 -0.010 0.000 0.800 1222 P CB -0.297 31.397 31.700 -0.011 0.000 1.066 1223 P HA 0.008 nan 4.420 nan 0.000 0.257 1223 P C 0.198 177.470 177.300 -0.047 0.000 1.162 1223 P CA 0.935 64.014 63.100 -0.035 0.000 0.762 1223 P CB 0.052 31.721 31.700 -0.051 0.000 0.753 1224 I N 1.739 122.273 120.570 -0.060 0.000 3.883 1224 I HA 0.070 4.240 4.170 -0.001 0.000 0.305 1224 I C 0.001 175.932 176.117 -0.311 0.000 1.247 1224 I CA 0.397 61.585 61.300 -0.186 0.000 1.350 1224 I CB 0.338 38.193 38.000 -0.242 0.000 1.194 1224 I HN 0.218 nan 8.210 nan 0.000 0.441 1225 Y N 1.181 121.525 120.300 0.072 0.000 2.361 1225 Y HA 0.525 5.075 4.550 -0.001 0.000 0.337 1225 Y C -0.034 175.855 175.900 -0.018 0.000 0.965 1225 Y CA -0.857 57.310 58.100 0.112 0.000 1.091 1225 Y CB 1.341 39.935 38.460 0.223 0.000 1.182 1225 Y HN -0.107 nan 8.280 nan 0.000 0.450 1226 R N 4.719 125.252 120.500 0.055 0.000 2.599 1226 R HA 0.749 5.089 4.340 -0.001 0.000 0.295 1226 R C -1.657 174.443 176.300 -0.333 0.000 0.963 1226 R CA -0.495 55.429 56.100 -0.294 0.000 0.883 1226 R CB 1.162 31.203 30.300 -0.432 0.000 1.171 1226 R HN 0.674 nan 8.270 nan 0.000 0.450 1227 F N 0.146 119.603 119.950 -0.823 0.000 2.923 1227 F HA 0.685 5.212 4.527 -0.001 0.000 0.323 1227 F C -1.773 173.666 175.800 -0.602 0.000 1.189 1227 F CA -1.285 56.234 58.000 -0.802 0.000 0.930 1227 F CB 1.397 39.338 39.000 -1.764 0.000 1.414 1227 F HN 0.260 nan 8.300 nan 0.000 0.496 1228 W N 1.733 122.948 121.300 -0.142 0.000 2.957 1228 W HA 0.490 5.149 4.660 -0.001 0.000 0.336 1228 W C -1.024 175.564 176.519 0.115 0.000 1.087 1228 W CA -0.852 56.462 57.345 -0.051 0.000 1.235 1228 W CB 2.653 32.133 29.460 0.033 0.000 1.399 1228 W HN 0.390 nan 8.180 nan 0.000 0.480 1229 K N 0.862 121.421 120.400 0.265 0.000 2.090 1229 K HA 0.074 4.394 4.320 -0.001 0.000 0.249 1229 K C 0.819 177.572 176.600 0.255 0.000 0.995 1229 K CA -0.576 55.864 56.287 0.255 0.000 0.914 1229 K CB 1.286 33.894 32.500 0.180 0.000 1.057 1229 K HN 0.250 nan 8.250 nan 0.000 0.462 1230 D N 1.130 121.657 120.400 0.211 0.000 2.183 1230 D HA -0.124 4.515 4.640 -0.001 0.000 0.203 1230 D C -0.041 176.372 176.300 0.189 0.000 0.969 1230 D CA 0.657 54.782 54.000 0.209 0.000 0.842 1230 D CB -0.027 40.843 40.800 0.116 0.000 0.957 1230 D HN 0.606 nan 8.370 nan 0.000 0.484 1231 N N 0.604 119.400 118.700 0.159 0.000 2.407 1231 N HA -0.105 4.635 4.740 -0.001 0.000 0.250 1231 N C -0.284 175.352 175.510 0.210 0.000 1.236 1231 N CA -0.046 53.120 53.050 0.194 0.000 0.879 1231 N CB 1.118 39.710 38.487 0.175 0.000 1.088 1231 N HN 0.185 nan 8.380 nan 0.000 0.450 1232 L N 1.857 123.239 121.223 0.264 0.000 2.316 1232 L HA 0.151 4.490 4.340 -0.001 0.000 0.280 1232 L C 0.129 176.941 176.870 -0.096 0.000 1.006 1232 L CA -0.317 54.590 54.840 0.112 0.000 0.836 1232 L CB 0.808 42.933 42.059 0.110 0.000 1.221 1232 L HN 0.679 nan 8.230 nan 0.000 0.418 1233 Q N 1.524 121.265 119.800 -0.099 0.000 2.261 1233 Q HA -0.228 4.111 4.340 -0.001 0.000 0.155 1233 Q C -0.289 175.571 176.000 -0.233 0.000 0.598 1233 Q CA 1.568 57.258 55.803 -0.189 0.000 1.376 1233 Q CB -1.743 26.851 28.738 -0.240 0.000 1.356 1233 Q HN 0.806 nan 8.270 nan 0.000 0.947 1234 H N 0.373 119.451 119.070 0.014 0.000 2.562 1234 H HA 0.350 4.905 4.556 -0.001 0.000 0.352 1234 H C 1.172 176.502 175.328 0.005 0.000 1.125 1234 H CA 0.161 56.214 56.048 0.008 0.000 1.379 1234 H CB 1.031 30.800 29.762 0.011 0.000 1.464 1234 H HN -0.063 nan 8.280 nan 0.000 0.563 1235 K N 1.599 122.068 120.400 0.114 0.000 2.614 1235 K HA 0.064 4.383 4.320 -0.001 0.000 0.198 1235 K C 0.214 176.842 176.600 0.046 0.000 1.338 1235 K CA -0.072 56.251 56.287 0.060 0.000 1.066 1235 K CB 0.587 33.100 32.500 0.022 0.000 1.119 1235 K HN 0.486 nan 8.250 nan 0.000 0.609 1236 D N 1.629 122.062 120.400 0.054 0.000 2.119 1236 D HA -0.080 4.559 4.640 -0.001 0.000 0.199 1236 D C 0.135 176.446 176.300 0.019 0.000 0.987 1236 D CA 1.352 55.371 54.000 0.031 0.000 0.858 1236 D CB -0.106 40.712 40.800 0.030 0.000 1.008 1236 D HN -0.132 nan 8.370 nan 0.000 0.450 1237 S N 0.197 115.904 115.700 0.011 0.000 2.700 1237 S HA 0.092 4.562 4.470 -0.001 0.000 0.321 1237 S C 1.154 175.760 174.600 0.009 0.000 1.161 1237 S CA -0.224 57.976 58.200 0.001 0.000 1.078 1237 S CB 0.789 63.980 63.200 -0.016 0.000 1.302 1237 S HN 0.113 nan 8.310 nan 0.000 0.540 1238 S N 3.034 118.742 115.700 0.013 0.000 2.387 1238 S HA -0.059 4.411 4.470 -0.001 0.000 0.226 1238 S C 0.835 175.449 174.600 0.025 0.000 1.026 1238 S CA 0.495 58.709 58.200 0.025 0.000 0.972 1238 S CB -0.314 62.900 63.200 0.024 0.000 0.814 1238 S HN 0.714 nan 8.310 nan 0.000 0.477 1239 V N 2.405 122.323 119.914 0.006 0.000 5.825 1239 V HA -0.181 3.938 4.120 -0.001 0.000 0.234 1239 V C -1.157 174.939 176.094 0.003 0.000 0.670 1239 V CA 0.562 62.858 62.300 -0.007 0.000 0.559 1239 V CB -1.899 29.914 31.823 -0.015 0.000 0.240 1239 V HN 0.480 nan 8.190 nan 0.000 0.545 1240 P HA -0.054 nan 4.420 nan 0.000 0.206 1240 P C 0.758 178.035 177.300 -0.037 0.000 1.209 1240 P CA 0.933 64.042 63.100 0.014 0.000 0.923 1240 P CB 0.034 31.741 31.700 0.011 0.000 0.761 1241 N N 1.305 119.959 118.700 -0.076 0.000 3.167 1241 N HA 0.053 4.793 4.740 -0.001 0.000 0.318 1241 N C -0.181 175.226 175.510 -0.173 0.000 1.268 1241 N CA 0.576 53.537 53.050 -0.147 0.000 1.197 1241 N CB -1.126 37.249 38.487 -0.188 0.000 1.464 1241 N HN 0.351 nan 8.380 nan 0.000 0.555 1242 T N -3.512 110.967 114.554 -0.125 0.000 3.109 1242 T HA 0.581 4.931 4.350 -0.001 0.000 0.311 1242 T C 0.423 175.045 174.700 -0.129 0.000 1.011 1242 T CA -1.026 60.998 62.100 -0.125 0.000 1.026 1242 T CB 1.541 70.343 68.868 -0.109 0.000 1.047 1242 T HN 0.094 nan 8.240 nan 0.000 0.448 1243 G N 1.431 110.145 108.800 -0.143 0.000 2.606 1243 G HA2 0.564 4.524 3.960 -0.001 0.000 0.252 1243 G HA3 0.564 4.524 3.960 -0.001 0.000 0.252 1243 G C -0.657 173.769 174.900 -0.791 0.000 1.206 1243 G CA -0.415 44.506 45.100 -0.299 0.000 0.861 1243 G HN 0.958 nan 8.290 nan 0.000 0.561 1244 T N -1.045 112.887 114.554 -1.037 0.000 2.957 1244 T HA 0.459 4.809 4.350 -0.001 0.000 0.336 1244 T C 1.066 175.493 174.700 -0.455 0.000 1.462 1244 T CA 0.287 61.949 62.100 -0.729 0.000 1.073 1244 T CB 1.583 70.292 68.868 -0.264 0.000 1.319 1244 T HN 0.819 nan 8.240 nan 0.000 0.485 1245 A N 2.097 124.761 122.820 -0.260 0.000 1.851 1245 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 1245 A C 2.072 179.686 177.584 0.051 0.000 1.195 1245 A CA 2.302 54.336 52.037 -0.004 0.000 0.622 1245 A CB -0.570 18.417 19.000 -0.021 0.000 0.831 1245 A HN 0.712 nan 8.150 nan 0.000 0.444 1246 R N -0.829 119.668 120.500 -0.006 0.000 2.120 1246 R HA -0.061 4.279 4.340 -0.001 0.000 0.234 1246 R C 2.111 178.519 176.300 0.179 0.000 1.123 1246 R CA 1.933 58.053 56.100 0.032 0.000 0.975 1246 R CB -0.510 29.729 30.300 -0.101 0.000 0.866 1246 R HN 0.631 nan 8.270 nan 0.000 0.446 1247 M N -0.778 118.914 119.600 0.154 0.000 2.101 1247 M HA -0.153 4.326 4.480 -0.001 0.000 0.259 1247 M C 1.797 178.340 176.300 0.405 0.000 1.083 1247 M CA 1.899 57.370 55.300 0.284 0.000 1.114 1247 M CB -0.202 32.553 32.600 0.257 0.000 1.281 1247 M HN 0.052 nan 8.290 nan 0.000 0.422 1248 V N 0.802 120.954 119.914 0.398 0.000 2.527 1248 V HA -0.328 3.792 4.120 -0.001 0.000 0.255 1248 V C 2.182 178.458 176.094 0.304 0.000 1.081 1248 V CA 2.412 64.964 62.300 0.419 0.000 1.092 1248 V CB -1.174 30.838 31.823 0.315 0.000 0.673 1248 V HN 0.637 nan 8.190 nan 0.000 0.470 1249 E N 0.462 120.827 120.200 0.275 0.000 2.033 1249 E HA -0.194 4.155 4.350 -0.001 0.000 0.189 1249 E C 2.382 179.152 176.600 0.284 0.000 0.979 1249 E CA 1.610 58.147 56.400 0.228 0.000 0.802 1249 E CB -0.223 29.700 29.700 0.373 0.000 0.763 1249 E HN 0.754 nan 8.360 nan 0.000 0.449 1250 T N -1.136 113.696 114.554 0.464 0.000 2.652 1250 T HA -0.250 4.100 4.350 -0.001 0.000 0.267 1250 T C 2.228 177.043 174.700 0.192 0.000 1.039 1250 T CA 2.360 64.714 62.100 0.424 0.000 1.153 1250 T CB -1.451 67.680 68.868 0.439 0.000 0.863 1250 T HN 0.320 nan 8.240 nan 0.000 0.428 1251 T N 0.639 115.360 114.554 0.280 0.000 2.849 1251 T HA 0.113 4.462 4.350 -0.001 0.000 0.270 1251 T C 2.144 176.893 174.700 0.080 0.000 1.066 1251 T CA 1.381 63.639 62.100 0.263 0.000 1.130 1251 T CB -0.817 68.354 68.868 0.505 0.000 0.864 1251 T HN 0.597 nan 8.240 nan 0.000 0.481 1252 A N -0.710 122.148 122.820 0.065 0.000 2.072 1252 A HA 0.237 4.557 4.320 -0.001 0.000 0.216 1252 A C 1.917 179.357 177.584 -0.240 0.000 1.156 1252 A CA 0.515 52.506 52.037 -0.077 0.000 0.701 1252 A CB -0.722 18.198 19.000 -0.133 0.000 0.816 1252 A HN 0.604 nan 8.150 nan 0.000 0.458 1253 Y N -0.207 120.010 120.300 -0.137 0.000 2.286 1253 Y HA 0.072 4.621 4.550 -0.001 0.000 0.293 1253 Y C 2.795 178.591 175.900 -0.173 0.000 1.124 1253 Y CA 0.424 58.406 58.100 -0.198 0.000 1.178 1253 Y CB -0.545 37.804 38.460 -0.185 0.000 1.010 1253 Y HN 0.318 nan 8.280 nan 0.000 0.536 1254 A N 0.140 122.815 122.820 -0.241 0.000 1.835 1254 A HA -0.199 4.121 4.320 -0.001 0.000 0.215 1254 A C 2.179 179.662 177.584 -0.168 0.000 1.199 1254 A CA 1.754 53.495 52.037 -0.493 0.000 0.615 1254 A CB -1.254 16.734 19.000 -1.686 0.000 0.838 1254 A HN 0.380 nan 8.150 nan 0.000 0.444 1255 L N -0.175 120.976 121.223 -0.119 0.000 2.081 1255 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 1255 L C 2.185 179.131 176.870 0.126 0.000 1.080 1255 L CA 1.807 56.688 54.840 0.069 0.000 0.754 1255 L CB -0.609 41.508 42.059 0.097 0.000 0.893 1255 L HN 0.422 nan 8.230 nan 0.000 0.433 1256 L N -1.619 119.667 121.223 0.105 0.000 2.179 1256 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 1256 L C 2.267 179.374 176.870 0.394 0.000 1.096 1256 L CA 1.252 56.232 54.840 0.233 0.000 0.779 1256 L CB -0.711 41.394 42.059 0.076 0.000 0.922 1256 L HN 0.287 nan 8.230 nan 0.000 0.443 1257 T N -1.024 113.748 114.554 0.363 0.000 2.701 1257 T HA -0.165 4.185 4.350 -0.001 0.000 0.263 1257 T C 2.167 176.999 174.700 0.220 0.000 1.040 1257 T CA 1.729 64.003 62.100 0.290 0.000 1.147 1257 T CB -0.055 68.952 68.868 0.232 0.000 0.865 1257 T HN 0.202 nan 8.240 nan 0.000 0.426 1258 S N 1.060 116.881 115.700 0.202 0.000 2.359 1258 S HA 0.004 4.474 4.470 -0.001 0.000 0.224 1258 S C 2.011 176.739 174.600 0.212 0.000 1.035 1258 S CA 0.910 59.243 58.200 0.221 0.000 1.018 1258 S CB -0.531 62.865 63.200 0.326 0.000 0.876 1258 S HN 0.325 nan 8.310 nan 0.000 0.448 1259 L N 1.493 122.849 121.223 0.222 0.000 2.187 1259 L HA -0.151 4.189 4.340 -0.001 0.000 0.213 1259 L C 2.125 179.096 176.870 0.168 0.000 1.100 1259 L CA 0.801 55.768 54.840 0.211 0.000 0.765 1259 L CB -0.484 41.714 42.059 0.231 0.000 0.904 1259 L HN 0.300 nan 8.230 nan 0.000 0.437 1260 N N 0.089 118.887 118.700 0.164 0.000 2.135 1260 N HA -0.072 4.667 4.740 -0.001 0.000 0.186 1260 N C 1.587 177.161 175.510 0.106 0.000 1.027 1260 N CA 1.043 54.163 53.050 0.117 0.000 0.849 1260 N CB -0.120 38.414 38.487 0.078 0.000 1.002 1260 N HN 0.289 nan 8.380 nan 0.000 0.425 1261 L N 1.277 122.578 121.223 0.131 0.000 2.675 1261 L HA 0.106 4.446 4.340 -0.001 0.000 0.239 1261 L C 0.179 177.108 176.870 0.098 0.000 1.151 1261 L CA 0.180 55.090 54.840 0.117 0.000 0.905 1261 L CB -0.497 41.637 42.059 0.125 0.000 1.057 1261 L HN 0.102 nan 8.230 nan 0.000 0.435 1262 K N -0.031 120.431 120.400 0.104 0.000 3.012 1262 K HA -0.238 4.081 4.320 -0.001 0.000 0.259 1262 K C 0.167 176.828 176.600 0.100 0.000 0.989 1262 K CA 0.773 57.115 56.287 0.091 0.000 0.728 1262 K CB -1.258 31.278 32.500 0.060 0.000 1.260 1262 K HN 0.257 nan 8.250 nan 0.000 0.480 1263 D N 1.216 121.697 120.400 0.135 0.000 2.767 1263 D HA 0.110 4.750 4.640 -0.001 0.000 0.231 1263 D C 1.196 177.613 176.300 0.196 0.000 1.105 1263 D CA -0.051 54.041 54.000 0.153 0.000 1.024 1263 D CB -0.250 40.655 40.800 0.176 0.000 1.123 1263 D HN 0.283 nan 8.370 nan 0.000 0.470 1264 I N 0.502 121.160 120.570 0.146 0.000 2.145 1264 I HA -0.359 3.811 4.170 -0.001 0.000 0.244 1264 I C 2.032 178.259 176.117 0.183 0.000 1.075 1264 I CA 0.780 62.172 61.300 0.153 0.000 1.332 1264 I CB -0.200 37.844 38.000 0.073 0.000 1.033 1264 I HN 0.226 nan 8.210 nan 0.000 0.410 1265 N N 0.126 118.914 118.700 0.147 0.000 2.120 1265 N HA -0.224 4.516 4.740 -0.001 0.000 0.188 1265 N C 1.811 177.431 175.510 0.183 0.000 1.024 1265 N CA 1.299 54.428 53.050 0.133 0.000 0.852 1265 N CB -0.490 38.055 38.487 0.097 0.000 1.003 1265 N HN 0.359 nan 8.380 nan 0.000 0.424 1266 Y N 1.485 121.845 120.300 0.100 0.000 2.145 1266 Y HA -0.122 4.428 4.550 -0.001 0.000 0.286 1266 Y C 2.246 178.244 175.900 0.162 0.000 1.145 1266 Y CA 1.062 59.231 58.100 0.115 0.000 1.148 1266 Y CB -0.494 38.039 38.460 0.123 0.000 0.981 1266 Y HN -0.189 nan 8.280 nan 0.000 0.507 1267 V N 1.061 121.107 119.914 0.219 0.000 2.490 1267 V HA -0.317 3.803 4.120 -0.001 0.000 0.250 1267 V C 2.187 178.361 176.094 0.134 0.000 1.061 1267 V CA 1.814 64.225 62.300 0.184 0.000 1.064 1267 V CB -0.745 31.265 31.823 0.312 0.000 0.670 1267 V HN 0.482 nan 8.190 nan 0.000 0.461 1268 N N 0.473 119.277 118.700 0.175 0.000 2.037 1268 N HA -0.159 4.580 4.740 -0.001 0.000 0.196 1268 N C -0.578 175.047 175.510 0.192 0.000 1.034 1268 N CA 2.191 55.363 53.050 0.204 0.000 0.861 1268 N CB -1.559 36.995 38.487 0.111 0.000 1.039 1268 N HN 0.407 nan 8.380 nan 0.000 0.427 1269 P HA 0.052 nan 4.420 nan 0.000 0.237 1269 P C 1.442 178.824 177.300 0.136 0.000 1.178 1269 P CA 0.313 63.459 63.100 0.076 0.000 0.766 1269 P CB 0.209 31.897 31.700 -0.020 0.000 0.876 1270 V N 0.284 120.265 119.914 0.111 0.000 2.407 1270 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 1270 V C 2.255 178.506 176.094 0.261 0.000 1.041 1270 V CA 1.694 64.121 62.300 0.211 0.000 1.040 1270 V CB -1.038 30.911 31.823 0.209 0.000 0.671 1270 V HN 0.105 nan 8.190 nan 0.000 0.455 1271 I N 0.210 120.818 120.570 0.064 0.000 2.439 1271 I HA -0.076 4.094 4.170 -0.001 0.000 0.251 1271 I C 2.173 178.266 176.117 -0.041 0.000 1.139 1271 I CA 1.786 63.045 61.300 -0.069 0.000 1.438 1271 I CB -0.769 36.962 38.000 -0.448 0.000 1.085 1271 I HN 0.181 nan 8.210 nan 0.000 0.427 1272 K N 0.013 120.404 120.400 -0.014 0.000 2.360 1272 K HA -0.229 4.090 4.320 -0.001 0.000 0.201 1272 K C 1.709 178.478 176.600 0.283 0.000 1.046 1272 K CA 1.635 57.902 56.287 -0.034 0.000 0.940 1272 K CB -0.629 31.843 32.500 -0.046 0.000 0.748 1272 K HN 0.683 nan 8.250 nan 0.000 0.465 1273 W N -0.056 121.353 121.300 0.181 0.000 2.644 1273 W HA 0.169 4.829 4.660 -0.001 0.000 0.279 1273 W C 1.201 177.763 176.519 0.072 0.000 1.164 1273 W CA 0.364 57.835 57.345 0.211 0.000 1.457 1273 W CB -0.008 29.605 29.460 0.255 0.000 1.087 1273 W HN -0.065 nan 8.180 nan 0.000 0.573 1274 L N 0.460 121.768 121.223 0.141 0.000 1.970 1274 L HA -0.251 4.089 4.340 -0.001 0.000 0.212 1274 L C 2.389 179.185 176.870 -0.124 0.000 1.071 1274 L CA 1.931 56.720 54.840 -0.086 0.000 0.751 1274 L CB -1.573 40.518 42.059 0.053 0.000 0.889 1274 L HN -0.035 nan 8.230 nan 0.000 0.432 1275 S N -0.719 114.943 115.700 -0.064 0.000 2.872 1275 S HA -0.116 4.353 4.470 -0.001 0.000 0.240 1275 S C 1.083 175.657 174.600 -0.043 0.000 0.983 1275 S CA 0.894 59.067 58.200 -0.046 0.000 1.012 1275 S CB -0.421 62.722 63.200 -0.095 0.000 0.797 1275 S HN 0.467 nan 8.310 nan 0.000 0.540 1276 E N -1.280 118.858 120.200 -0.105 0.000 2.653 1276 E HA 0.089 4.438 4.350 -0.001 0.000 0.218 1276 E C 1.140 177.622 176.600 -0.197 0.000 0.911 1276 E CA -0.032 56.274 56.400 -0.157 0.000 1.355 1276 E CB 0.052 29.674 29.700 -0.130 0.000 1.314 1276 E HN 0.271 nan 8.360 nan 0.000 0.686 1277 E N 0.852 120.862 120.200 -0.316 0.000 2.166 1277 E HA 0.031 4.381 4.350 -0.001 0.000 0.192 1277 E C 0.502 176.962 176.600 -0.234 0.000 0.967 1277 E CA 0.583 56.755 56.400 -0.381 0.000 0.840 1277 E CB 0.387 29.628 29.700 -0.765 0.000 0.795 1277 E HN -0.016 nan 8.360 nan 0.000 0.470 1278 Q N 1.260 120.960 119.800 -0.165 0.000 2.428 1278 Q HA 0.050 4.389 4.340 -0.001 0.000 0.276 1278 Q C 0.218 176.128 176.000 -0.150 0.000 1.059 1278 Q CA 0.605 56.302 55.803 -0.176 0.000 0.923 1278 Q CB 0.425 29.073 28.738 -0.149 0.000 1.283 1278 Q HN 0.145 nan 8.270 nan 0.000 0.447 1279 R N 0.691 121.023 120.500 -0.282 0.000 2.700 1279 R HA 0.251 4.591 4.340 -0.001 0.000 0.253 1279 R C -0.155 175.851 176.300 -0.490 0.000 1.091 1279 R CA -0.903 55.025 56.100 -0.288 0.000 1.104 1279 R CB 0.361 30.508 30.300 -0.255 0.000 1.202 1279 R HN 0.690 nan 8.270 nan 0.000 0.532 1280 Y N 0.507 120.523 120.300 -0.473 0.000 2.713 1280 Y HA 0.088 4.637 4.550 -0.001 0.000 0.341 1280 Y C 0.864 176.576 175.900 -0.313 0.000 1.167 1280 Y CA 1.300 59.168 58.100 -0.387 0.000 1.503 1280 Y CB -0.136 38.191 38.460 -0.220 0.000 1.199 1280 Y HN 0.938 nan 8.280 nan 0.000 0.525 1281 G N 3.649 112.273 108.800 -0.294 0.000 4.013 1281 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.255 1281 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.255 1281 G C 0.147 174.902 174.900 -0.243 0.000 1.765 1281 G CA -0.205 44.684 45.100 -0.351 0.000 1.396 1281 G HN 1.328 nan 8.290 nan 0.000 0.605 1282 G N -0.837 107.811 108.800 -0.253 0.000 3.166 1282 G HA2 0.654 4.614 3.960 -0.001 0.000 0.267 1282 G HA3 0.654 4.614 3.960 -0.001 0.000 0.267 1282 G C 0.334 175.124 174.900 -0.183 0.000 1.256 1282 G CA 0.395 45.391 45.100 -0.173 0.000 0.859 1282 G HN 1.657 nan 8.290 nan 0.000 0.590 1283 G N 0.026 108.748 108.800 -0.129 0.000 3.636 1283 G HA2 0.347 4.306 3.960 -0.001 0.000 0.260 1283 G HA3 0.347 4.306 3.960 -0.001 0.000 0.260 1283 G C 0.844 175.635 174.900 -0.181 0.000 1.014 1283 G CA -0.251 44.747 45.100 -0.169 0.000 1.797 1283 G HN 0.533 nan 8.290 nan 0.000 0.637 1284 F N 1.208 120.916 119.950 -0.403 0.000 2.063 1284 F HA -0.335 4.192 4.527 -0.001 0.000 0.281 1284 F C 0.833 176.499 175.800 -0.223 0.000 1.066 1284 F CA 0.658 58.449 58.000 -0.347 0.000 1.325 1284 F CB -0.145 38.638 39.000 -0.362 0.000 0.953 1284 F HN 0.369 nan 8.300 nan 0.000 0.493 1285 Y N 2.024 122.263 120.300 -0.102 0.000 2.804 1285 Y HA 0.122 4.671 4.550 -0.001 0.000 0.338 1285 Y C 0.854 176.656 175.900 -0.165 0.000 1.252 1285 Y CA 0.381 58.356 58.100 -0.208 0.000 1.576 1285 Y CB -0.911 37.483 38.460 -0.111 0.000 1.223 1285 Y HN 0.240 nan 8.280 nan 0.000 0.536 1286 S N 1.738 117.374 115.700 -0.108 0.000 2.743 1286 S HA -0.346 4.123 4.470 -0.001 0.000 0.629 1286 S C 1.440 176.001 174.600 -0.064 0.000 3.251 1286 S CA 2.472 60.589 58.200 -0.138 0.000 3.727 1286 S CB -1.002 62.157 63.200 -0.068 0.000 0.334 1286 S HN 1.062 nan 8.310 nan 0.000 1.636 1287 T N -2.633 111.912 114.554 -0.015 0.000 3.176 1287 T HA 0.285 4.634 4.350 -0.001 0.000 0.259 1287 T C 1.573 176.350 174.700 0.129 0.000 0.978 1287 T CA 0.441 62.579 62.100 0.063 0.000 1.050 1287 T CB -0.473 68.448 68.868 0.089 0.000 1.136 1287 T HN 0.486 nan 8.240 nan 0.000 0.465 1288 Q N 1.783 121.665 119.800 0.138 0.000 2.364 1288 Q HA -0.095 4.245 4.340 -0.001 0.000 0.209 1288 Q C 1.680 177.775 176.000 0.159 0.000 0.977 1288 Q CA 1.906 57.812 55.803 0.173 0.000 0.885 1288 Q CB -0.273 28.555 28.738 0.151 0.000 0.941 1288 Q HN 0.904 nan 8.270 nan 0.000 0.464 1289 D N -1.708 118.766 120.400 0.123 0.000 2.197 1289 D HA -0.073 4.566 4.640 -0.001 0.000 0.212 1289 D C 1.557 177.889 176.300 0.053 0.000 0.963 1289 D CA 1.229 55.282 54.000 0.089 0.000 0.864 1289 D CB -0.650 40.230 40.800 0.134 0.000 1.009 1289 D HN -0.078 nan 8.370 nan 0.000 0.479 1290 T N 0.546 115.140 114.554 0.067 0.000 2.803 1290 T HA -0.130 4.220 4.350 -0.001 0.000 0.269 1290 T C 1.844 176.583 174.700 0.065 0.000 1.052 1290 T CA 0.853 62.981 62.100 0.046 0.000 1.136 1290 T CB -0.307 68.589 68.868 0.048 0.000 0.864 1290 T HN 0.238 nan 8.240 nan 0.000 0.467 1291 I N 0.958 121.602 120.570 0.124 0.000 2.353 1291 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 1291 I C 1.864 178.005 176.117 0.041 0.000 1.119 1291 I CA 1.124 62.536 61.300 0.185 0.000 1.417 1291 I CB -0.037 38.145 38.000 0.303 0.000 1.078 1291 I HN 0.170 nan 8.210 nan 0.000 0.421 1292 N N 1.395 120.066 118.700 -0.048 0.000 2.207 1292 N HA -0.033 4.707 4.740 -0.001 0.000 0.182 1292 N C 1.900 177.305 175.510 -0.174 0.000 1.020 1292 N CA 1.353 54.284 53.050 -0.199 0.000 0.858 1292 N CB -0.330 37.897 38.487 -0.433 0.000 0.991 1292 N HN 0.351 nan 8.380 nan 0.000 0.427 1293 A N 2.171 124.927 122.820 -0.107 0.000 1.908 1293 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 1293 A C 2.166 179.680 177.584 -0.116 0.000 1.181 1293 A CA 0.996 52.992 52.037 -0.069 0.000 0.627 1293 A CB -0.503 18.483 19.000 -0.023 0.000 0.818 1293 A HN 0.096 nan 8.150 nan 0.000 0.445 1294 I N -0.169 120.308 120.570 -0.154 0.000 2.179 1294 I HA -0.236 3.934 4.170 -0.001 0.000 0.242 1294 I C 2.455 178.293 176.117 -0.466 0.000 1.088 1294 I CA 1.961 63.109 61.300 -0.253 0.000 1.357 1294 I CB -1.476 36.408 38.000 -0.194 0.000 1.051 1294 I HN 0.582 nan 8.210 nan 0.000 0.409 1295 E N 0.825 120.655 120.200 -0.618 0.000 2.085 1295 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 1295 E C 2.210 178.704 176.600 -0.177 0.000 0.994 1295 E CA 1.392 57.458 56.400 -0.557 0.000 0.801 1295 E CB -0.239 29.316 29.700 -0.242 0.000 0.743 1295 E HN 0.495 nan 8.360 nan 0.000 0.453 1296 G N 1.286 110.017 108.800 -0.115 0.000 2.701 1296 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.215 1296 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.215 1296 G C 1.400 176.319 174.900 0.033 0.000 1.297 1296 G CA 1.321 46.419 45.100 -0.005 0.000 0.807 1296 G HN 0.237 nan 8.290 nan 0.000 0.608 1297 L N 0.864 122.073 121.223 -0.023 0.000 2.064 1297 L HA -0.186 4.154 4.340 -0.001 0.000 0.216 1297 L C 3.224 180.126 176.870 0.054 0.000 1.077 1297 L CA 2.428 57.266 54.840 -0.003 0.000 0.766 1297 L CB -1.097 40.922 42.059 -0.066 0.000 0.890 1297 L HN 0.303 nan 8.230 nan 0.000 0.435 1298 T N -1.663 112.885 114.554 -0.010 0.000 2.614 1298 T HA -0.226 4.123 4.350 -0.001 0.000 0.263 1298 T C 1.847 176.633 174.700 0.142 0.000 1.055 1298 T CA 1.464 63.594 62.100 0.050 0.000 1.162 1298 T CB -0.278 68.609 68.868 0.031 0.000 0.863 1298 T HN 0.226 nan 8.240 nan 0.000 0.414 1299 E N 0.133 120.424 120.200 0.151 0.000 2.153 1299 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 1299 E C 1.770 178.480 176.600 0.183 0.000 0.988 1299 E CA 0.874 57.387 56.400 0.189 0.000 0.811 1299 E CB -0.320 29.507 29.700 0.211 0.000 0.746 1299 E HN 0.701 nan 8.360 nan 0.000 0.466 1300 Y N -0.388 119.960 120.300 0.080 0.000 2.220 1300 Y HA -0.056 4.494 4.550 -0.001 0.000 0.291 1300 Y C 2.126 178.074 175.900 0.081 0.000 1.129 1300 Y CA 1.475 59.627 58.100 0.086 0.000 1.161 1300 Y CB -0.157 38.358 38.460 0.091 0.000 0.997 1300 Y HN -0.076 nan 8.280 nan 0.000 0.522 1301 S N 0.471 116.347 115.700 0.295 0.000 2.547 1301 S HA -0.039 4.431 4.470 -0.001 0.000 0.235 1301 S C 1.534 176.180 174.600 0.076 0.000 0.980 1301 S CA 1.044 59.356 58.200 0.188 0.000 0.941 1301 S CB -0.306 63.021 63.200 0.211 0.000 0.763 1301 S HN 0.475 nan 8.310 nan 0.000 0.532 1302 L N -0.036 121.207 121.223 0.034 0.000 2.575 1302 L HA 0.239 4.578 4.340 -0.001 0.000 0.228 1302 L C 1.951 178.785 176.870 -0.060 0.000 1.075 1302 L CA 0.211 55.040 54.840 -0.018 0.000 0.867 1302 L CB -0.073 41.966 42.059 -0.033 0.000 1.097 1302 L HN 0.291 nan 8.230 nan 0.000 0.485 1303 L N -0.088 121.073 121.223 -0.104 0.000 2.145 1303 L HA 0.143 4.483 4.340 -0.001 0.000 0.201 1303 L C 1.281 178.029 176.870 -0.204 0.000 1.075 1303 L CA 1.087 55.853 54.840 -0.124 0.000 0.773 1303 L CB 0.148 42.153 42.059 -0.091 0.000 0.936 1303 L HN -0.117 nan 8.230 nan 0.000 0.451 1304 V N 0.672 120.348 119.914 -0.397 0.000 3.441 1304 V HA 0.124 4.244 4.120 -0.001 0.000 0.300 1304 V C 0.272 176.263 176.094 -0.172 0.000 1.062 1304 V CA -0.495 61.606 62.300 -0.331 0.000 1.064 1304 V CB 1.038 32.539 31.823 -0.538 0.000 1.197 1304 V HN 0.205 nan 8.190 nan 0.000 0.451 1305 K N 0.848 121.189 120.400 -0.099 0.000 2.244 1305 K HA 0.317 4.636 4.320 -0.001 0.000 0.260 1305 K C -0.165 176.429 176.600 -0.010 0.000 0.951 1305 K CA -0.517 55.743 56.287 -0.045 0.000 0.826 1305 K CB 1.128 33.604 32.500 -0.041 0.000 1.108 1305 K HN 0.668 nan 8.250 nan 0.000 0.433 1306 Q N 2.238 122.049 119.800 0.018 0.000 2.354 1306 Q HA -0.073 4.267 4.340 -0.001 0.000 0.310 1306 Q C -0.849 175.149 176.000 -0.003 0.000 1.104 1306 Q CA 0.584 56.399 55.803 0.020 0.000 0.968 1306 Q CB 0.444 29.212 28.738 0.051 0.000 1.251 1306 Q HN 0.356 nan 8.270 nan 0.000 0.411 1307 L N 3.134 124.345 121.223 -0.020 0.000 2.287 1307 L HA 0.314 4.654 4.340 -0.001 0.000 0.287 1307 L C 0.202 177.031 176.870 -0.068 0.000 1.022 1307 L CA 0.033 54.854 54.840 -0.032 0.000 0.814 1307 L CB 1.401 43.453 42.059 -0.013 0.000 1.217 1307 L HN 0.480 nan 8.230 nan 0.000 0.420 1308 R N 3.570 124.034 120.500 -0.060 0.000 2.537 1308 R HA 0.171 4.510 4.340 -0.001 0.000 0.281 1308 R C -1.052 175.196 176.300 -0.086 0.000 0.988 1308 R CA -0.013 56.045 56.100 -0.069 0.000 1.077 1308 R CB 0.179 30.452 30.300 -0.045 0.000 0.932 1308 R HN 0.573 nan 8.270 nan 0.000 0.409 1309 L N 3.526 124.688 121.223 -0.102 0.000 2.292 1309 L HA 0.246 4.585 4.340 -0.001 0.000 0.284 1309 L C 0.620 177.454 176.870 -0.059 0.000 1.065 1309 L CA -0.048 54.733 54.840 -0.098 0.000 0.806 1309 L CB 1.836 43.819 42.059 -0.127 0.000 1.175 1309 L HN 0.703 nan 8.230 nan 0.000 0.431 1310 S N 3.102 118.759 115.700 -0.072 0.000 2.801 1310 S HA 0.331 4.801 4.470 -0.001 0.000 0.236 1310 S C -0.261 174.292 174.600 -0.077 0.000 0.852 1310 S CA -0.559 57.607 58.200 -0.055 0.000 1.089 1310 S CB 0.140 63.307 63.200 -0.053 0.000 1.376 1310 S HN 0.567 nan 8.310 nan 0.000 0.470 1311 M N 1.430 120.980 119.600 -0.084 0.000 2.163 1311 M HA 0.341 4.821 4.480 -0.001 0.000 0.305 1311 M C -0.428 175.808 176.300 -0.105 0.000 1.166 1311 M CA 0.402 55.638 55.300 -0.106 0.000 1.132 1311 M CB 0.565 33.098 32.600 -0.111 0.000 1.413 1311 M HN 0.097 nan 8.290 nan 0.000 0.478 1312 D N 2.528 122.856 120.400 -0.121 0.000 2.513 1312 D HA 0.309 4.948 4.640 -0.001 0.000 0.295 1312 D C -0.852 175.329 176.300 -0.197 0.000 1.202 1312 D CA -0.133 53.787 54.000 -0.133 0.000 0.849 1312 D CB 0.205 40.965 40.800 -0.068 0.000 1.116 1312 D HN 0.398 nan 8.370 nan 0.000 0.502 1313 I N 0.791 121.152 120.570 -0.349 0.000 2.692 1313 I HA 0.117 4.286 4.170 -0.001 0.000 0.284 1313 I C 0.555 176.452 176.117 -0.366 0.000 1.159 1313 I CA 0.448 61.503 61.300 -0.409 0.000 1.423 1313 I CB 0.766 38.372 38.000 -0.656 0.000 1.380 1313 I HN 0.164 nan 8.210 nan 0.000 0.580 1314 D N 6.450 126.706 120.400 -0.241 0.000 2.386 1314 D HA 0.182 4.821 4.640 -0.001 0.000 0.247 1314 D C -1.424 174.764 176.300 -0.187 0.000 1.336 1314 D CA -0.283 53.600 54.000 -0.195 0.000 0.976 1314 D CB 2.163 42.888 40.800 -0.126 0.000 1.257 1314 D HN 0.274 nan 8.370 nan 0.000 0.570 1315 V N 2.951 122.703 119.914 -0.270 0.000 2.509 1315 V HA 0.691 4.811 4.120 -0.001 0.000 0.284 1315 V C -0.612 175.322 176.094 -0.267 0.000 1.047 1315 V CA 0.243 62.387 62.300 -0.260 0.000 0.952 1315 V CB 1.410 33.035 31.823 -0.329 0.000 0.988 1315 V HN 0.590 nan 8.190 nan 0.000 0.469 1316 S N 4.343 119.900 115.700 -0.239 0.000 2.567 1316 S HA 0.582 5.052 4.470 -0.001 0.000 0.270 1316 S C -1.552 172.915 174.600 -0.222 0.000 1.152 1316 S CA -0.550 57.514 58.200 -0.226 0.000 0.835 1316 S CB 1.288 64.427 63.200 -0.101 0.000 1.115 1316 S HN 0.628 nan 8.310 nan 0.000 0.459 1317 Y N 2.492 122.804 120.300 0.021 0.000 2.304 1317 Y HA 0.334 4.883 4.550 -0.001 0.000 0.328 1317 Y C 1.549 177.435 175.900 -0.023 0.000 1.123 1317 Y CA -0.288 57.831 58.100 0.030 0.000 1.218 1317 Y CB 1.110 39.603 38.460 0.054 0.000 1.207 1317 Y HN 0.853 nan 8.280 nan 0.000 0.495 1318 K N 0.964 121.423 120.400 0.098 0.000 2.147 1318 K HA -0.179 4.141 4.320 -0.001 0.000 0.205 1318 K C 0.737 177.120 176.600 -0.362 0.000 1.049 1318 K CA 1.934 58.113 56.287 -0.179 0.000 0.936 1318 K CB 0.064 32.387 32.500 -0.295 0.000 0.722 1318 K HN 0.777 nan 8.250 nan 0.000 0.446 1319 H N -1.502 117.621 119.070 0.089 0.000 2.657 1319 H HA 0.122 4.677 4.556 -0.001 0.000 0.262 1319 H C 0.431 175.782 175.328 0.038 0.000 0.965 1319 H CA -0.116 55.956 56.048 0.040 0.000 1.184 1319 H CB 0.067 29.829 29.762 0.000 0.000 1.443 1319 H HN -0.018 nan 8.280 nan 0.000 0.462 1320 K N 1.880 122.375 120.400 0.158 0.000 2.156 1320 K HA 0.180 4.500 4.320 -0.001 0.000 0.242 1320 K C 1.044 177.738 176.600 0.156 0.000 1.033 1320 K CA 0.352 56.696 56.287 0.094 0.000 0.878 1320 K CB 0.122 32.580 32.500 -0.070 0.000 1.057 1320 K HN 0.161 nan 8.250 nan 0.000 0.505 1321 G N -0.192 108.689 108.800 0.134 0.000 2.466 1321 G HA2 0.335 4.294 3.960 -0.001 0.000 0.279 1321 G HA3 0.335 4.294 3.960 -0.001 0.000 0.279 1321 G C -0.829 174.170 174.900 0.164 0.000 1.410 1321 G CA -0.102 45.072 45.100 0.124 0.000 1.065 1321 G HN 0.778 nan 8.290 nan 0.000 0.547 1322 A N -0.907 121.976 122.820 0.106 0.000 2.320 1322 A HA 0.553 4.872 4.320 -0.001 0.000 0.287 1322 A C 0.059 177.687 177.584 0.072 0.000 1.181 1322 A CA -0.404 51.672 52.037 0.064 0.000 0.831 1322 A CB 0.807 19.825 19.000 0.029 0.000 1.102 1322 A HN 0.646 nan 8.150 nan 0.000 0.513 1323 L N 2.639 123.858 121.223 -0.008 0.000 2.505 1323 L HA 0.356 4.695 4.340 -0.001 0.000 0.226 1323 L C 1.145 178.015 176.870 0.000 0.000 1.211 1323 L CA 0.112 54.946 54.840 -0.009 0.000 0.828 1323 L CB 0.125 42.054 42.059 -0.216 0.000 1.331 1323 L HN 0.923 nan 8.230 nan 0.000 0.513 1324 H N 0.424 119.495 119.070 0.001 0.000 2.830 1324 H HA 0.288 4.844 4.556 -0.001 0.000 0.382 1324 H C -0.663 174.706 175.328 0.067 0.000 1.423 1324 H CA 0.134 56.206 56.048 0.040 0.000 1.464 1324 H CB -0.018 29.772 29.762 0.046 0.000 1.495 1324 H HN 0.599 nan 8.280 nan 0.000 0.617 1325 N N 0.662 119.415 118.700 0.087 0.000 2.976 1325 N HA 0.074 4.814 4.740 -0.001 0.000 0.249 1325 N C -1.780 173.819 175.510 0.148 0.000 1.258 1325 N CA -0.752 52.303 53.050 0.008 0.000 0.864 1325 N CB 0.046 38.494 38.487 -0.064 0.000 1.551 1325 N HN 0.836 nan 8.380 nan 0.000 0.607 1326 Y N -0.360 119.966 120.300 0.043 0.000 2.496 1326 Y HA 0.594 5.144 4.550 -0.001 0.000 0.331 1326 Y C 0.179 176.098 175.900 0.032 0.000 1.140 1326 Y CA -1.241 56.895 58.100 0.060 0.000 1.166 1326 Y CB 1.394 39.911 38.460 0.094 0.000 1.249 1326 Y HN 0.319 nan 8.280 nan 0.000 0.479 1327 K N 3.837 124.288 120.400 0.084 0.000 2.285 1327 K HA 0.278 4.598 4.320 -0.001 0.000 0.286 1327 K C -0.768 175.883 176.600 0.086 0.000 1.072 1327 K CA -0.486 55.806 56.287 0.007 0.000 0.913 1327 K CB 0.614 33.135 32.500 0.035 0.000 1.067 1327 K HN 0.961 nan 8.250 nan 0.000 0.479 1328 M N 4.395 123.996 119.600 0.001 0.000 2.211 1328 M HA 0.167 4.647 4.480 -0.001 0.000 0.356 1328 M C -0.665 175.687 176.300 0.086 0.000 1.216 1328 M CA 0.388 55.754 55.300 0.110 0.000 1.134 1328 M CB 0.971 33.605 32.600 0.057 0.000 1.564 1328 M HN 0.863 nan 8.290 nan 0.000 0.463 1329 T N -0.451 114.189 114.554 0.144 0.000 2.731 1329 T HA 0.338 4.688 4.350 -0.001 0.000 0.300 1329 T C 0.044 174.850 174.700 0.177 0.000 1.283 1329 T CA -0.883 61.283 62.100 0.109 0.000 1.005 1329 T CB 0.808 69.736 68.868 0.100 0.000 1.420 1329 T HN 0.643 nan 8.240 nan 0.000 0.503 1330 D N 0.154 120.627 120.400 0.122 0.000 2.310 1330 D HA -0.044 4.596 4.640 -0.001 0.000 0.212 1330 D C 1.570 178.054 176.300 0.306 0.000 0.965 1330 D CA 0.679 54.785 54.000 0.176 0.000 0.879 1330 D CB 0.105 40.940 40.800 0.059 0.000 0.921 1330 D HN 0.288 nan 8.370 nan 0.000 0.510 1331 K N 1.446 121.990 120.400 0.241 0.000 1.965 1331 K HA -0.055 4.264 4.320 -0.001 0.000 0.214 1331 K C 1.197 177.994 176.600 0.329 0.000 1.046 1331 K CA 0.812 57.276 56.287 0.294 0.000 0.944 1331 K CB -0.695 31.958 32.500 0.256 0.000 0.726 1331 K HN 0.306 nan 8.250 nan 0.000 0.441 1332 N N 0.317 119.166 118.700 0.248 0.000 2.446 1332 N HA 0.118 4.857 4.740 -0.001 0.000 0.265 1332 N C -0.143 175.506 175.510 0.232 0.000 0.975 1332 N CA -0.391 52.749 53.050 0.149 0.000 0.928 1332 N CB 1.151 39.688 38.487 0.084 0.000 1.160 1332 N HN 0.143 nan 8.380 nan 0.000 0.495 1333 F N 0.155 120.141 119.950 0.059 0.000 2.883 1333 F HA 0.375 4.902 4.527 -0.001 0.000 0.351 1333 F C 0.254 176.064 175.800 0.017 0.000 0.970 1333 F CA -0.495 57.535 58.000 0.050 0.000 1.130 1333 F CB 0.255 39.270 39.000 0.025 0.000 1.015 1333 F HN 0.105 nan 8.300 nan 0.000 0.585 1334 L N 3.128 124.084 121.223 -0.446 0.000 2.801 1334 L HA 0.318 4.658 4.340 -0.001 0.000 0.250 1334 L C 1.384 178.166 176.870 -0.146 0.000 1.222 1334 L CA 0.264 54.943 54.840 -0.269 0.000 1.054 1334 L CB -1.985 39.857 42.059 -0.362 0.000 1.330 1334 L HN 0.352 nan 8.230 nan 0.000 0.426 1335 G N 1.176 109.913 108.800 -0.104 0.000 2.846 1335 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.257 1335 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.257 1335 G C 0.550 175.351 174.900 -0.165 0.000 1.253 1335 G CA -0.551 44.453 45.100 -0.159 0.000 0.918 1335 G HN 0.620 nan 8.290 nan 0.000 0.597 1336 R N 0.202 120.572 120.500 -0.217 0.000 2.590 1336 R HA 0.306 4.645 4.340 -0.001 0.000 0.274 1336 R C -2.498 173.679 176.300 -0.205 0.000 1.061 1336 R CA -1.000 54.983 56.100 -0.194 0.000 1.081 1336 R CB -0.272 29.891 30.300 -0.228 0.000 0.984 1336 R HN 0.212 nan 8.270 nan 0.000 0.448 1337 P HA 0.174 nan 4.420 nan 0.000 0.275 1337 P C -0.957 176.222 177.300 -0.202 0.000 1.266 1337 P CA -0.615 62.326 63.100 -0.265 0.000 0.793 1337 P CB 0.686 32.190 31.700 -0.327 0.000 1.074 1338 V N 0.085 119.891 119.914 -0.180 0.000 2.752 1338 V HA 0.132 4.252 4.120 -0.001 0.000 0.302 1338 V C -0.633 175.416 176.094 -0.075 0.000 1.133 1338 V CA -0.579 61.650 62.300 -0.118 0.000 0.919 1338 V CB 2.018 33.795 31.823 -0.076 0.000 1.026 1338 V HN 0.468 nan 8.190 nan 0.000 0.429 1339 E N 3.146 123.323 120.200 -0.039 0.000 2.194 1339 E HA 0.330 4.679 4.350 -0.001 0.000 0.284 1339 E C -0.728 175.899 176.600 0.046 0.000 1.035 1339 E CA -0.381 56.017 56.400 -0.003 0.000 0.836 1339 E CB 1.915 31.622 29.700 0.012 0.000 1.070 1339 E HN 0.455 nan 8.360 nan 0.000 0.401 1340 V N 6.152 126.102 119.914 0.060 0.000 2.387 1340 V HA -0.051 4.068 4.120 -0.001 0.000 0.260 1340 V C 1.159 177.368 176.094 0.191 0.000 1.054 1340 V CA -0.070 62.325 62.300 0.159 0.000 0.967 1340 V CB 0.303 32.211 31.823 0.141 0.000 1.036 1340 V HN 0.662 nan 8.190 nan 0.000 0.481 1341 L N 4.988 126.341 121.223 0.217 0.000 2.034 1341 L HA 0.154 4.494 4.340 -0.001 0.000 0.203 1341 L C 1.096 178.032 176.870 0.109 0.000 1.074 1341 L CA 1.327 56.248 54.840 0.135 0.000 0.748 1341 L CB -0.725 41.393 42.059 0.098 0.000 0.905 1341 L HN 0.418 nan 8.230 nan 0.000 0.439 1342 L N 0.674 121.908 121.223 0.018 0.000 2.467 1342 L HA 0.008 4.347 4.340 -0.001 0.000 0.270 1342 L C 0.777 177.613 176.870 -0.058 0.000 1.205 1342 L CA 0.067 54.794 54.840 -0.189 0.000 0.828 1342 L CB -0.107 41.571 42.059 -0.634 0.000 1.101 1342 L HN 0.246 nan 8.230 nan 0.000 0.479 1343 N N 2.228 120.861 118.700 -0.112 0.000 2.807 1343 N HA 0.108 4.848 4.740 -0.001 0.000 0.259 1343 N C -1.045 174.189 175.510 -0.460 0.000 1.149 1343 N CA 0.149 53.050 53.050 -0.247 0.000 1.042 1343 N CB 0.213 38.519 38.487 -0.302 0.000 1.367 1343 N HN 0.514 nan 8.380 nan 0.000 0.516 1344 D N 0.611 120.910 120.400 -0.168 0.000 2.648 1344 D HA 0.152 4.792 4.640 -0.001 0.000 0.244 1344 D C -1.489 175.049 176.300 0.397 0.000 1.244 1344 D CA -0.549 53.472 54.000 0.036 0.000 0.772 1344 D CB 1.505 42.327 40.800 0.037 0.000 1.379 1344 D HN 0.087 nan 8.370 nan 0.000 0.428 1345 D N 0.615 121.222 120.400 0.345 0.000 2.414 1345 D HA 0.325 4.964 4.640 -0.001 0.000 0.242 1345 D C -0.202 176.278 176.300 0.301 0.000 1.129 1345 D CA -0.005 54.191 54.000 0.327 0.000 0.885 1345 D CB 0.639 41.563 40.800 0.207 0.000 1.198 1345 D HN 0.124 nan 8.370 nan 0.000 0.437 1346 L N 2.359 123.747 121.223 0.275 0.000 2.331 1346 L HA 0.577 4.916 4.340 -0.001 0.000 0.275 1346 L C -1.123 175.851 176.870 0.174 0.000 1.022 1346 L CA -0.485 54.473 54.840 0.195 0.000 0.812 1346 L CB 1.191 43.357 42.059 0.179 0.000 1.257 1346 L HN 0.392 nan 8.230 nan 0.000 0.435 1347 I N 4.963 125.576 120.570 0.072 0.000 2.497 1347 I HA 0.329 4.499 4.170 -0.001 0.000 0.284 1347 I C -1.033 175.096 176.117 0.020 0.000 1.060 1347 I CA -0.797 60.526 61.300 0.039 0.000 1.071 1347 I CB 1.819 39.807 38.000 -0.020 0.000 1.216 1347 I HN 0.150 nan 8.210 nan 0.000 0.442 1348 V N 4.539 124.504 119.914 0.086 0.000 2.383 1348 V HA 0.475 4.594 4.120 -0.001 0.000 0.275 1348 V C 0.303 176.390 176.094 -0.012 0.000 1.036 1348 V CA -0.310 62.013 62.300 0.038 0.000 0.889 1348 V CB 1.187 33.086 31.823 0.127 0.000 0.985 1348 V HN 0.884 nan 8.190 nan 0.000 0.459 1349 S N 1.494 117.163 115.700 -0.052 0.000 2.356 1349 S HA 0.227 4.697 4.470 -0.001 0.000 0.171 1349 S C -0.261 174.300 174.600 -0.064 0.000 1.399 1349 S CA -0.506 57.663 58.200 -0.052 0.000 1.225 1349 S CB 0.912 64.083 63.200 -0.048 0.000 1.271 1349 S HN 0.782 nan 8.310 nan 0.000 0.427 1350 T N 2.178 116.691 114.554 -0.067 0.000 2.932 1350 T HA 0.490 4.839 4.350 -0.001 0.000 0.312 1350 T C 1.213 175.892 174.700 -0.035 0.000 1.071 1350 T CA 0.646 62.701 62.100 -0.075 0.000 1.128 1350 T CB 0.206 69.025 68.868 -0.082 0.000 0.984 1350 T HN 0.763 nan 8.240 nan 0.000 0.549 1351 G N 2.693 111.478 108.800 -0.025 0.000 2.481 1351 G HA2 0.318 4.277 3.960 -0.001 0.000 0.251 1351 G HA3 0.318 4.277 3.960 -0.001 0.000 0.251 1351 G C 0.348 175.297 174.900 0.083 0.000 1.492 1351 G CA -0.265 44.854 45.100 0.031 0.000 1.060 1351 G HN 0.711 nan 8.290 nan 0.000 0.553 1352 F N 1.265 121.198 119.950 -0.028 0.000 1.983 1352 F HA 0.317 4.843 4.527 -0.001 0.000 0.298 1352 F C 1.886 177.673 175.800 -0.022 0.000 1.323 1352 F CA 1.891 59.877 58.000 -0.022 0.000 1.169 1352 F CB -0.894 38.096 39.000 -0.017 0.000 0.950 1352 F HN 1.073 nan 8.300 nan 0.000 0.507 1353 G N -0.289 108.244 108.800 -0.446 0.000 2.692 1353 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.248 1353 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.248 1353 G C -0.571 173.941 174.900 -0.646 0.000 1.340 1353 G CA 0.227 45.060 45.100 -0.444 0.000 0.896 1353 G HN 1.513 nan 8.290 nan 0.000 0.570 1354 S N -1.461 114.032 115.700 -0.344 0.000 2.618 1354 S HA 1.052 5.521 4.470 -0.001 0.000 0.277 1354 S C 0.486 174.989 174.600 -0.162 0.000 1.138 1354 S CA 0.694 58.731 58.200 -0.271 0.000 0.844 1354 S CB 1.734 64.807 63.200 -0.212 0.000 1.127 1354 S HN 3.130 nan 8.310 nan 0.000 0.474 1355 G N 0.332 109.059 108.800 -0.120 0.000 2.341 1355 G HA2 0.181 4.140 3.960 -0.001 0.000 0.196 1355 G HA3 0.181 4.140 3.960 -0.001 0.000 0.196 1355 G C -1.732 173.132 174.900 -0.059 0.000 1.231 1355 G CA -0.410 44.637 45.100 -0.089 0.000 1.155 1355 G HN 1.480 nan 8.290 nan 0.000 0.529 1356 L N 0.484 121.667 121.223 -0.068 0.000 2.666 1356 L HA 0.625 4.964 4.340 -0.001 0.000 0.258 1356 L C 0.160 176.993 176.870 -0.061 0.000 0.991 1356 L CA -0.223 54.585 54.840 -0.052 0.000 0.916 1356 L CB 1.294 43.332 42.059 -0.035 0.000 1.199 1356 L HN 1.359 nan 8.230 nan 0.000 0.439 1357 A N 1.414 124.207 122.820 -0.046 0.000 2.292 1357 A HA 0.745 5.065 4.320 -0.001 0.000 0.319 1357 A C 0.250 177.827 177.584 -0.013 0.000 1.206 1357 A CA -0.386 51.642 52.037 -0.016 0.000 0.835 1357 A CB 0.894 19.890 19.000 -0.007 0.000 1.164 1357 A HN 0.524 nan 8.150 nan 0.000 0.505 1358 T N 0.160 114.721 114.554 0.012 0.000 2.749 1358 T HA 0.538 4.887 4.350 -0.001 0.000 0.287 1358 T C -0.398 174.317 174.700 0.026 0.000 0.970 1358 T CA -0.566 61.538 62.100 0.006 0.000 0.980 1358 T CB 0.772 69.675 68.868 0.058 0.000 0.924 1358 T HN 0.386 nan 8.240 nan 0.000 0.456 1359 V N 4.809 124.696 119.914 -0.045 0.000 2.364 1359 V HA 0.352 4.472 4.120 -0.001 0.000 0.272 1359 V C -0.318 175.655 176.094 -0.202 0.000 1.036 1359 V CA -0.651 61.621 62.300 -0.046 0.000 0.880 1359 V CB 0.012 31.865 31.823 0.050 0.000 0.991 1359 V HN 0.936 nan 8.190 nan 0.000 0.460 1360 H N 2.461 121.465 119.070 -0.110 0.000 2.524 1360 H HA 0.730 5.285 4.556 -0.001 0.000 0.353 1360 H C -0.653 174.515 175.328 -0.267 0.000 1.136 1360 H CA -0.550 55.416 56.048 -0.137 0.000 1.193 1360 H CB 2.144 31.864 29.762 -0.071 0.000 1.558 1360 H HN 0.390 nan 8.280 nan 0.000 0.515 1361 V N 2.820 122.625 119.914 -0.181 0.000 2.538 1361 V HA 0.117 4.237 4.120 -0.001 0.000 0.265 1361 V C -0.109 175.879 176.094 -0.176 0.000 0.977 1361 V CA -0.623 61.481 62.300 -0.326 0.000 0.852 1361 V CB 1.346 32.730 31.823 -0.733 0.000 1.058 1361 V HN 0.829 nan 8.190 nan 0.000 0.462 1362 T N 3.238 117.743 114.554 -0.082 0.000 2.728 1362 T HA 0.409 4.759 4.350 -0.001 0.000 0.296 1362 T C 0.350 175.016 174.700 -0.057 0.000 0.940 1362 T CA 0.081 62.156 62.100 -0.043 0.000 1.013 1362 T CB 0.583 69.460 68.868 0.014 0.000 0.912 1362 T HN 0.839 nan 8.240 nan 0.000 0.484 1363 T N 2.905 117.414 114.554 -0.074 0.000 2.795 1363 T HA 0.597 4.946 4.350 -0.001 0.000 0.282 1363 T C -0.377 174.303 174.700 -0.034 0.000 0.980 1363 T CA -0.713 61.346 62.100 -0.068 0.000 1.012 1363 T CB 0.993 69.798 68.868 -0.105 0.000 0.936 1363 T HN 0.322 nan 8.240 nan 0.000 0.457 1364 V N 5.389 125.297 119.914 -0.010 0.000 2.347 1364 V HA 0.638 4.758 4.120 -0.001 0.000 0.280 1364 V C 0.013 176.136 176.094 0.048 0.000 1.021 1364 V CA -0.544 61.760 62.300 0.006 0.000 0.847 1364 V CB 1.158 33.002 31.823 0.035 0.000 0.990 1364 V HN 0.895 nan 8.190 nan 0.000 0.444 1365 V N 5.153 125.075 119.914 0.015 0.000 3.074 1365 V HA 0.690 4.809 4.120 -0.001 0.000 0.314 1365 V C -1.325 174.786 176.094 0.030 0.000 1.117 1365 V CA -0.563 61.798 62.300 0.102 0.000 1.014 1365 V CB 2.733 34.592 31.823 0.060 0.000 1.057 1365 V HN 0.982 nan 8.190 nan 0.000 0.438 1366 H N 3.274 122.373 119.070 0.049 0.000 2.589 1366 H HA 0.655 5.210 4.556 -0.001 0.000 0.351 1366 H C -0.429 174.948 175.328 0.081 0.000 1.074 1366 H CA -0.722 55.368 56.048 0.070 0.000 1.203 1366 H CB 1.437 31.238 29.762 0.065 0.000 1.558 1366 H HN 0.690 nan 8.280 nan 0.000 0.522 1367 K N -0.357 120.159 120.400 0.193 0.000 2.349 1367 K HA 0.517 4.836 4.320 -0.001 0.000 0.243 1367 K C 0.082 176.816 176.600 0.223 0.000 1.058 1367 K CA -0.728 55.663 56.287 0.173 0.000 0.871 1367 K CB 1.436 34.019 32.500 0.138 0.000 1.337 1367 K HN 0.535 nan 8.250 nan 0.000 0.469 1368 T N -3.043 111.619 114.554 0.181 0.000 3.001 1368 T HA 0.201 4.551 4.350 -0.001 0.000 0.251 1368 T C 0.365 175.222 174.700 0.261 0.000 1.040 1368 T CA -0.129 62.054 62.100 0.137 0.000 0.985 1368 T CB 0.141 69.021 68.868 0.021 0.000 1.011 1368 T HN 0.363 nan 8.240 nan 0.000 0.509 1369 S N -0.023 115.853 115.700 0.293 0.000 2.715 1369 S HA 0.680 5.150 4.470 -0.001 0.000 0.307 1369 S C 0.104 174.851 174.600 0.246 0.000 1.119 1369 S CA -0.686 57.692 58.200 0.297 0.000 0.937 1369 S CB 2.083 65.382 63.200 0.164 0.000 1.150 1369 S HN 0.263 nan 8.310 nan 0.000 0.521 1370 T N 0.163 114.825 114.554 0.180 0.000 3.191 1370 T HA 0.035 4.384 4.350 -0.001 0.000 0.285 1370 T C 1.726 176.471 174.700 0.075 0.000 0.887 1370 T CA 0.387 62.538 62.100 0.084 0.000 0.881 1370 T CB -0.113 68.757 68.868 0.003 0.000 1.217 1370 T HN 0.598 nan 8.240 nan 0.000 0.591 1371 S N 2.654 118.412 115.700 0.097 0.000 2.420 1371 S HA -0.262 4.208 4.470 -0.001 0.000 0.237 1371 S C 1.879 176.514 174.600 0.059 0.000 1.023 1371 S CA 1.702 59.950 58.200 0.080 0.000 0.991 1371 S CB -0.488 62.763 63.200 0.085 0.000 0.792 1371 S HN 0.826 nan 8.310 nan 0.000 0.488 1372 E N 2.071 122.307 120.200 0.059 0.000 2.017 1372 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 1372 E C 0.861 177.480 176.600 0.033 0.000 0.997 1372 E CA 0.896 57.323 56.400 0.046 0.000 0.804 1372 E CB -0.695 29.035 29.700 0.051 0.000 0.757 1372 E HN 0.683 nan 8.360 nan 0.000 0.448 1373 E N 0.862 121.080 120.200 0.030 0.000 2.494 1373 E HA 0.072 4.422 4.350 -0.001 0.000 0.262 1373 E C -0.601 176.003 176.600 0.007 0.000 1.294 1373 E CA 0.033 56.443 56.400 0.016 0.000 1.062 1373 E CB 0.621 30.327 29.700 0.010 0.000 0.982 1373 E HN 0.009 nan 8.360 nan 0.000 0.495 1374 V N 1.556 121.467 119.914 -0.004 0.000 2.275 1374 V HA 0.084 4.203 4.120 -0.001 0.000 0.272 1374 V C -0.350 175.731 176.094 -0.022 0.000 1.028 1374 V CA -0.775 61.514 62.300 -0.018 0.000 0.810 1374 V CB 0.616 32.421 31.823 -0.030 0.000 1.043 1374 V HN 0.735 nan 8.190 nan 0.000 0.453 1375 c N 3.674 122.260 118.600 -0.022 0.000 2.619 1375 c HA 0.131 4.701 4.570 -0.001 0.000 0.389 1375 c C 1.878 175.915 174.090 -0.087 0.000 1.314 1375 c CA 0.009 56.327 56.329 -0.019 0.000 1.678 1375 c CB -0.432 42.077 42.510 -0.001 0.000 2.398 1375 c HN 0.931 nan 8.230 nan 0.000 0.582 1376 S N 1.952 117.630 115.700 -0.038 0.000 2.575 1376 S HA 0.199 4.668 4.470 -0.001 0.000 0.215 1376 S C -0.069 174.318 174.600 -0.355 0.000 0.966 1376 S CA 0.356 58.455 58.200 -0.169 0.000 0.911 1376 S CB -0.022 63.150 63.200 -0.046 0.000 0.780 1376 S HN 0.691 nan 8.310 nan 0.000 0.514 1377 F N 0.574 120.446 119.950 -0.130 0.000 2.540 1377 F HA 0.460 4.987 4.527 -0.001 0.000 0.317 1377 F C -0.603 175.106 175.800 -0.151 0.000 1.104 1377 F CA -1.359 56.571 58.000 -0.117 0.000 0.913 1377 F CB 1.085 40.067 39.000 -0.030 0.000 1.170 1377 F HN -0.043 nan 8.300 nan 0.000 0.450 1378 Y N 3.998 124.364 120.300 0.111 0.000 2.335 1378 Y HA 0.546 5.096 4.550 -0.001 0.000 0.331 1378 Y C 0.041 176.086 175.900 0.241 0.000 1.094 1378 Y CA -0.426 57.736 58.100 0.102 0.000 1.253 1378 Y CB 0.478 38.909 38.460 -0.048 0.000 1.203 1378 Y HN 0.291 nan 8.280 nan 0.000 0.508 1379 L N 3.595 125.111 121.223 0.489 0.000 2.303 1379 L HA 0.726 5.066 4.340 -0.001 0.000 0.256 1379 L C -1.185 175.944 176.870 0.431 0.000 1.034 1379 L CA -1.376 53.739 54.840 0.458 0.000 0.832 1379 L CB 2.884 45.097 42.059 0.257 0.000 1.403 1379 L HN 0.568 nan 8.230 nan 0.000 0.419 1380 K N 1.101 121.737 120.400 0.392 0.000 2.600 1380 K HA 0.645 4.964 4.320 -0.001 0.000 0.262 1380 K C -1.661 175.030 176.600 0.152 0.000 0.935 1380 K CA -0.709 55.710 56.287 0.219 0.000 0.866 1380 K CB 2.449 34.992 32.500 0.072 0.000 1.354 1380 K HN 0.569 nan 8.250 nan 0.000 0.419 1381 I N 2.200 122.817 120.570 0.077 0.000 2.722 1381 I HA 0.424 4.594 4.170 -0.001 0.000 0.292 1381 I C -2.187 173.909 176.117 -0.035 0.000 1.267 1381 I CA -0.209 61.037 61.300 -0.091 0.000 1.036 1381 I CB 1.886 39.692 38.000 -0.322 0.000 1.281 1381 I HN 0.976 nan 8.210 nan 0.000 0.423 1382 D N 3.779 124.135 120.400 -0.073 0.000 2.623 1382 D HA 0.226 4.865 4.640 -0.001 0.000 0.241 1382 D C -1.070 175.199 176.300 -0.052 0.000 1.241 1382 D CA -0.365 53.630 54.000 -0.008 0.000 0.788 1382 D CB 2.065 42.868 40.800 0.005 0.000 1.413 1382 D HN 0.417 nan 8.370 nan 0.000 0.429 1383 T N -1.474 113.070 114.554 -0.016 0.000 2.744 1383 T HA 0.453 4.802 4.350 -0.001 0.000 0.291 1383 T C -0.117 174.548 174.700 -0.058 0.000 0.957 1383 T CA -0.624 61.438 62.100 -0.064 0.000 1.002 1383 T CB 1.153 69.997 68.868 -0.041 0.000 0.919 1383 T HN 0.334 nan 8.240 nan 0.000 0.468 1384 Q N 2.288 122.040 119.800 -0.080 0.000 2.245 1384 Q HA 0.286 4.625 4.340 -0.001 0.000 0.256 1384 Q C 0.053 176.049 176.000 -0.007 0.000 0.942 1384 Q CA -0.967 54.815 55.803 -0.035 0.000 0.896 1384 Q CB 1.637 30.360 28.738 -0.025 0.000 1.272 1384 Q HN 0.627 nan 8.270 nan 0.000 0.442 1385 D N 1.073 121.497 120.400 0.041 0.000 2.305 1385 D HA 0.071 4.711 4.640 -0.001 0.000 0.206 1385 D C 0.784 177.227 176.300 0.238 0.000 0.974 1385 D CA 0.381 54.447 54.000 0.111 0.000 0.871 1385 D CB 0.337 41.178 40.800 0.069 0.000 0.947 1385 D HN 0.463 nan 8.370 nan 0.000 0.516 1400 K N 4.716 124.917 120.400 -0.333 0.000 2.095 1400 K HA 0.701 5.020 4.320 -0.001 0.000 0.252 1400 K C -0.718 175.571 176.600 -0.518 0.000 0.977 1400 K CA -1.181 54.918 56.287 -0.313 0.000 0.900 1400 K CB 1.939 34.311 32.500 -0.214 0.000 1.060 1400 K HN 0.624 nan 8.250 nan 0.000 0.449 1401 R N 2.213 122.482 120.500 -0.385 0.000 2.604 1401 R HA 0.312 4.652 4.340 -0.001 0.000 0.261 1401 R C -1.742 174.317 176.300 -0.402 0.000 1.080 1401 R CA -0.509 55.328 56.100 -0.438 0.000 0.917 1401 R CB 1.147 31.249 30.300 -0.331 0.000 1.252 1401 R HN 0.631 nan 8.270 nan 0.000 0.456 1402 I N 3.558 123.755 120.570 -0.622 0.000 2.377 1402 I HA 0.348 4.518 4.170 -0.001 0.000 0.293 1402 I C -0.408 175.446 176.117 -0.438 0.000 0.987 1402 I CA -0.967 59.974 61.300 -0.598 0.000 1.185 1402 I CB 2.138 39.586 38.000 -0.920 0.000 1.341 1402 I HN 0.256 nan 8.210 nan 0.000 0.455 1403 V N 6.455 126.203 119.914 -0.277 0.000 2.327 1403 V HA 0.459 4.578 4.120 -0.001 0.000 0.272 1403 V C 0.203 176.186 176.094 -0.185 0.000 1.019 1403 V CA -0.525 61.676 62.300 -0.166 0.000 0.814 1403 V CB 1.110 32.872 31.823 -0.101 0.000 1.040 1403 V HN 0.788 nan 8.190 nan 0.000 0.440 1404 A N 3.501 126.178 122.820 -0.238 0.000 2.301 1404 A HA 0.796 5.115 4.320 -0.001 0.000 0.312 1404 A C -0.097 177.453 177.584 -0.057 0.000 1.182 1404 A CA -0.234 51.578 52.037 -0.375 0.000 0.826 1404 A CB 0.769 19.151 19.000 -1.031 0.000 1.134 1404 A HN 0.781 nan 8.150 nan 0.000 0.501 1405 c N 0.540 119.225 118.600 0.141 0.000 2.973 1405 c HA 1.040 5.610 4.570 -0.001 0.000 0.329 1405 c C 0.367 174.774 174.090 0.529 0.000 1.327 1405 c CA 0.120 56.649 56.329 0.334 0.000 1.632 1405 c CB 1.443 44.129 42.510 0.293 0.000 2.098 1405 c HN 1.422 nan 8.230 nan 0.000 0.469 1406 A N 0.558 123.700 122.820 0.536 0.000 2.594 1406 A HA 0.796 5.116 4.320 -0.001 0.000 0.296 1406 A C -1.118 176.561 177.584 0.158 0.000 1.056 1406 A CA -0.110 52.153 52.037 0.377 0.000 0.693 1406 A CB 1.236 20.377 19.000 0.236 0.000 1.278 1406 A HN 1.139 nan 8.150 nan 0.000 0.408 1407 S N 0.201 115.931 115.700 0.050 0.000 2.572 1407 S HA 0.550 5.019 4.470 -0.001 0.000 0.274 1407 S C -1.412 173.271 174.600 0.138 0.000 1.150 1407 S CA -0.365 57.808 58.200 -0.045 0.000 0.944 1407 S CB 0.845 63.701 63.200 -0.573 0.000 1.071 1407 S HN 1.460 nan 8.310 nan 0.000 0.479 1408 Y N 4.576 124.843 120.300 -0.055 0.000 2.544 1408 Y HA 0.312 4.861 4.550 -0.001 0.000 0.330 1408 Y C 0.171 175.792 175.900 -0.465 0.000 1.136 1408 Y CA 0.102 57.859 58.100 -0.571 0.000 1.417 1408 Y CB 0.392 38.554 38.460 -0.496 0.000 1.229 1408 Y HN 0.584 nan 8.280 nan 0.000 0.532 1409 K N 9.111 128.871 120.400 -1.067 0.000 2.250 1409 K HA 0.234 4.554 4.320 -0.001 0.000 0.285 1409 K C -2.545 173.284 176.600 -1.286 0.000 1.097 1409 K CA -1.692 53.997 56.287 -0.997 0.000 0.913 1409 K CB 0.350 32.322 32.500 -0.880 0.000 1.179 1409 K HN 0.462 nan 8.250 nan 0.000 0.462 1410 P HA 0.018 nan 4.420 nan 0.000 0.271 1410 P C -0.631 176.403 177.300 -0.443 0.000 1.233 1410 P CA -0.005 62.642 63.100 -0.756 0.000 0.764 1410 P CB 0.884 32.357 31.700 -0.379 0.000 0.825 1411 S N 3.154 118.650 115.700 -0.339 0.000 2.587 1411 S HA -0.011 4.459 4.470 -0.001 0.000 0.260 1411 S C 1.800 176.307 174.600 -0.155 0.000 1.353 1411 S CA -0.492 57.587 58.200 -0.203 0.000 0.995 1411 S CB 0.302 63.424 63.200 -0.130 0.000 0.912 1411 S HN 0.522 nan 8.310 nan 0.000 0.568 1412 R N 1.138 121.563 120.500 -0.126 0.000 2.119 1412 R HA -0.207 4.133 4.340 -0.001 0.000 0.246 1412 R C 1.029 177.268 176.300 -0.102 0.000 1.146 1412 R CA 2.001 58.038 56.100 -0.106 0.000 0.962 1412 R CB -0.496 29.747 30.300 -0.095 0.000 0.863 1412 R HN 0.573 nan 8.270 nan 0.000 0.442 1413 E N 0.796 120.929 120.200 -0.111 0.000 2.400 1413 E HA 0.057 4.406 4.350 -0.001 0.000 0.195 1413 E C 0.022 176.577 176.600 -0.074 0.000 1.012 1413 E CA 0.110 56.448 56.400 -0.103 0.000 0.875 1413 E CB 0.130 29.748 29.700 -0.137 0.000 0.859 1413 E HN 0.275 nan 8.360 nan 0.000 0.498 1414 E N 0.934 121.088 120.200 -0.077 0.000 2.461 1414 E HA 0.002 4.352 4.350 -0.001 0.000 0.263 1414 E C 0.167 176.741 176.600 -0.044 0.000 1.143 1414 E CA 0.191 56.560 56.400 -0.051 0.000 0.994 1414 E CB 0.732 30.396 29.700 -0.058 0.000 0.973 1414 E HN -0.010 nan 8.360 nan 0.000 0.457 1415 S N -0.343 115.346 115.700 -0.019 0.000 2.713 1415 S HA 0.137 4.606 4.470 -0.001 0.000 0.277 1415 S C 1.154 175.745 174.600 -0.015 0.000 1.168 1415 S CA 0.066 58.256 58.200 -0.015 0.000 0.994 1415 S CB 0.745 63.941 63.200 -0.006 0.000 1.054 1415 S HN 0.485 nan 8.310 nan 0.000 0.555 1416 S N 0.783 116.476 115.700 -0.012 0.000 2.528 1416 S HA -0.018 4.452 4.470 -0.001 0.000 0.219 1416 S C 1.778 176.382 174.600 0.007 0.000 0.985 1416 S CA 0.811 59.005 58.200 -0.011 0.000 0.914 1416 S CB -0.669 62.525 63.200 -0.011 0.000 0.776 1416 S HN 0.748 nan 8.310 nan 0.000 0.526 1417 S N 1.413 117.120 115.700 0.010 0.000 2.387 1417 S HA 0.307 4.777 4.470 -0.001 0.000 0.230 1417 S C 1.421 176.037 174.600 0.026 0.000 1.035 1417 S CA 0.521 58.728 58.200 0.012 0.000 1.014 1417 S CB -1.442 61.758 63.200 0.000 0.000 0.836 1417 S HN 1.723 nan 8.310 nan 0.000 0.466 1418 G N 0.420 109.256 108.800 0.061 0.000 2.555 1418 G HA2 0.110 4.069 3.960 -0.001 0.000 0.686 1418 G HA3 0.110 4.069 3.960 -0.001 0.000 0.686 1418 G C -0.354 174.576 174.900 0.050 0.000 1.275 1418 G CA -0.347 44.822 45.100 0.116 0.000 0.871 1418 G HN 0.861 nan 8.290 nan 0.000 0.603 1419 S N -0.864 114.818 115.700 -0.030 0.000 2.587 1419 S HA 0.469 4.938 4.470 -0.001 0.000 0.257 1419 S C 1.461 175.931 174.600 -0.216 0.000 1.397 1419 S CA 1.237 59.196 58.200 -0.401 0.000 0.983 1419 S CB 0.124 63.133 63.200 -0.318 0.000 0.885 1419 S HN 2.369 nan 8.310 nan 0.000 0.556 1420 S N 0.719 116.267 115.700 -0.253 0.000 2.718 1420 S HA 0.312 4.782 4.470 -0.001 0.000 0.292 1420 S C 0.130 174.670 174.600 -0.100 0.000 1.125 1420 S CA -0.525 57.559 58.200 -0.193 0.000 1.013 1420 S CB 0.020 63.084 63.200 -0.227 0.000 1.192 1420 S HN 0.956 nan 8.310 nan 0.000 0.535 1421 H N 0.660 119.578 119.070 -0.252 0.000 3.232 1421 H HA 0.259 4.814 4.556 -0.001 0.000 0.276 1421 H C 0.002 175.291 175.328 -0.065 0.000 0.882 1421 H CA 0.231 56.198 56.048 -0.135 0.000 1.415 1421 H CB -0.465 29.180 29.762 -0.194 0.000 1.405 1421 H HN 0.800 nan 8.280 nan 0.000 0.543 1422 A N 4.634 127.545 122.820 0.152 0.000 2.485 1422 A HA 0.607 4.926 4.320 -0.001 0.000 0.292 1422 A C -0.912 176.618 177.584 -0.089 0.000 1.147 1422 A CA -0.237 51.763 52.037 -0.062 0.000 0.750 1422 A CB 2.122 21.085 19.000 -0.062 0.000 1.331 1422 A HN 0.702 nan 8.150 nan 0.000 0.419 1423 V N 0.695 120.404 119.914 -0.342 0.000 2.668 1423 V HA 0.675 4.795 4.120 -0.001 0.000 0.304 1423 V C -0.971 174.823 176.094 -0.500 0.000 1.071 1423 V CA -0.634 61.438 62.300 -0.381 0.000 0.894 1423 V CB 1.393 32.973 31.823 -0.405 0.000 1.008 1423 V HN 0.866 nan 8.190 nan 0.000 0.425 1424 M N 5.550 124.985 119.600 -0.274 0.000 2.209 1424 M HA 0.527 5.007 4.480 -0.001 0.000 0.355 1424 M C -1.016 175.236 176.300 -0.080 0.000 1.171 1424 M CA -0.179 55.030 55.300 -0.152 0.000 1.069 1424 M CB 1.403 33.999 32.600 -0.006 0.000 1.622 1424 M HN 0.751 nan 8.290 nan 0.000 0.459 1425 D N 4.836 125.259 120.400 0.039 0.000 2.469 1425 D HA 0.428 5.067 4.640 -0.001 0.000 0.251 1425 D C -1.393 175.086 176.300 0.298 0.000 1.173 1425 D CA -0.283 53.794 54.000 0.130 0.000 0.882 1425 D CB 0.900 41.781 40.800 0.135 0.000 1.129 1425 D HN 0.542 nan 8.370 nan 0.000 0.549 1426 I N 2.467 123.177 120.570 0.234 0.000 2.328 1426 I HA 0.161 4.330 4.170 -0.001 0.000 0.287 1426 I C 0.562 176.814 176.117 0.224 0.000 1.012 1426 I CA -0.803 60.636 61.300 0.231 0.000 1.195 1426 I CB 1.604 39.633 38.000 0.049 0.000 1.350 1426 I HN 0.219 nan 8.210 nan 0.000 0.464 1427 S N 7.537 123.385 115.700 0.246 0.000 2.528 1427 S HA 0.450 4.920 4.470 -0.001 0.000 0.277 1427 S C -0.261 174.412 174.600 0.122 0.000 1.297 1427 S CA -0.557 57.619 58.200 -0.039 0.000 1.052 1427 S CB 0.335 63.486 63.200 -0.082 0.000 0.917 1427 S HN 0.433 nan 8.310 nan 0.000 0.492 1428 L N 6.331 127.569 121.223 0.026 0.000 2.326 1428 L HA 0.406 4.746 4.340 -0.001 0.000 0.278 1428 L C -1.988 174.904 176.870 0.037 0.000 1.092 1428 L CA -2.186 52.708 54.840 0.091 0.000 0.810 1428 L CB 0.636 42.743 42.059 0.082 0.000 1.153 1428 L HN 0.496 nan 8.230 nan 0.000 0.439 1429 P HA 0.012 nan 4.420 nan 0.000 0.269 1429 P C -0.467 176.866 177.300 0.054 0.000 1.215 1429 P CA -0.280 62.815 63.100 -0.008 0.000 0.780 1429 P CB 0.267 31.931 31.700 -0.060 0.000 0.898 1430 T N 2.154 116.763 114.554 0.091 0.000 2.704 1430 T HA 0.237 4.587 4.350 -0.001 0.000 0.271 1430 T C 1.144 175.993 174.700 0.249 0.000 1.000 1430 T CA 1.392 63.600 62.100 0.179 0.000 1.216 1430 T CB -1.144 67.837 68.868 0.188 0.000 0.961 1430 T HN 0.871 nan 8.240 nan 0.000 0.515 1431 G N 3.783 112.679 108.800 0.160 0.000 2.289 1431 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.280 1431 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.280 1431 G C -0.053 174.798 174.900 -0.081 0.000 1.089 1431 G CA -0.646 44.352 45.100 -0.170 0.000 0.939 1431 G HN 0.740 nan 8.290 nan 0.000 0.499 1432 I N 1.235 121.789 120.570 -0.027 0.000 2.714 1432 I HA 0.188 4.357 4.170 -0.001 0.000 0.276 1432 I C 0.751 176.875 176.117 0.011 0.000 1.196 1432 I CA -0.610 60.687 61.300 -0.005 0.000 1.068 1432 I CB 0.634 38.632 38.000 -0.004 0.000 1.291 1432 I HN 0.146 nan 8.210 nan 0.000 0.530 1433 S N 2.993 118.736 115.700 0.072 0.000 2.576 1433 S HA 0.558 5.027 4.470 -0.001 0.000 0.272 1433 S C 0.581 175.116 174.600 -0.109 0.000 1.352 1433 S CA -0.395 57.891 58.200 0.143 0.000 1.021 1433 S CB 1.375 64.877 63.200 0.504 0.000 0.887 1433 S HN 0.689 nan 8.310 nan 0.000 0.542 1434 A N 1.675 124.477 122.820 -0.029 0.000 2.337 1434 A HA 0.550 4.870 4.320 -0.001 0.000 0.331 1434 A C 0.090 177.557 177.584 -0.195 0.000 1.137 1434 A CA -0.807 51.182 52.037 -0.079 0.000 0.807 1434 A CB 0.387 19.479 19.000 0.153 0.000 1.250 1434 A HN 0.692 nan 8.150 nan 0.000 0.468 1435 N N 0.923 119.487 118.700 -0.226 0.000 2.434 1435 N HA -0.017 4.722 4.740 -0.001 0.000 0.273 1435 N C 0.810 176.287 175.510 -0.055 0.000 1.210 1435 N CA 0.228 53.180 53.050 -0.164 0.000 0.992 1435 N CB 0.561 38.943 38.487 -0.174 0.000 1.355 1435 N HN 0.763 nan 8.380 nan 0.000 0.495 1436 E N 2.569 122.796 120.200 0.044 0.000 2.086 1436 E HA -0.250 4.100 4.350 -0.001 0.000 0.200 1436 E C 0.927 177.441 176.600 -0.143 0.000 1.012 1436 E CA 1.747 58.140 56.400 -0.011 0.000 0.812 1436 E CB 0.231 30.049 29.700 0.197 0.000 0.743 1436 E HN 0.550 nan 8.360 nan 0.000 0.453 1437 E N 0.533 120.706 120.200 -0.044 0.000 2.110 1437 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 1437 E C 1.839 178.378 176.600 -0.102 0.000 0.988 1437 E CA 1.228 57.593 56.400 -0.058 0.000 0.804 1437 E CB -0.459 29.236 29.700 -0.008 0.000 0.745 1437 E HN 0.390 nan 8.360 nan 0.000 0.458 1438 D N 0.913 121.259 120.400 -0.090 0.000 2.123 1438 D HA -0.123 4.516 4.640 -0.001 0.000 0.196 1438 D C 2.222 178.448 176.300 -0.124 0.000 0.992 1438 D CA 0.821 54.783 54.000 -0.062 0.000 0.833 1438 D CB -0.274 40.528 40.800 0.003 0.000 0.954 1438 D HN 0.164 nan 8.370 nan 0.000 0.455 1439 L N 0.405 121.449 121.223 -0.299 0.000 2.027 1439 L HA -0.115 4.224 4.340 -0.001 0.000 0.206 1439 L C 2.391 179.018 176.870 -0.406 0.000 1.074 1439 L CA 0.863 55.432 54.840 -0.451 0.000 0.745 1439 L CB -0.423 41.121 42.059 -0.857 0.000 0.898 1439 L HN -0.104 nan 8.230 nan 0.000 0.433 1440 K N 0.625 120.724 120.400 -0.502 0.000 2.107 1440 K HA -0.244 4.076 4.320 -0.001 0.000 0.211 1440 K C 2.160 178.732 176.600 -0.047 0.000 1.049 1440 K CA 1.794 57.971 56.287 -0.183 0.000 0.927 1440 K CB -0.548 31.898 32.500 -0.090 0.000 0.714 1440 K HN 0.361 nan 8.250 nan 0.000 0.452 1441 A N 0.744 123.532 122.820 -0.053 0.000 1.978 1441 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 1441 A C 2.191 179.797 177.584 0.036 0.000 1.170 1441 A CA 1.307 53.346 52.037 0.004 0.000 0.636 1441 A CB -0.385 18.619 19.000 0.006 0.000 0.810 1441 A HN 0.242 nan 8.150 nan 0.000 0.448 1442 L N -1.386 119.864 121.223 0.046 0.000 2.477 1442 L HA 0.061 4.401 4.340 -0.001 0.000 0.220 1442 L C 2.170 179.098 176.870 0.097 0.000 1.106 1442 L CA 0.592 55.490 54.840 0.098 0.000 0.851 1442 L CB 0.345 42.536 42.059 0.220 0.000 0.994 1442 L HN 0.324 nan 8.230 nan 0.000 0.462 1443 V N -1.644 118.326 119.914 0.094 0.000 3.379 1443 V HA 0.057 4.177 4.120 -0.001 0.000 0.249 1443 V C 1.648 177.769 176.094 0.046 0.000 1.184 1443 V CA 0.610 62.953 62.300 0.072 0.000 1.106 1443 V CB 0.567 32.456 31.823 0.109 0.000 0.826 1443 V HN 0.418 nan 8.190 nan 0.000 0.465 1444 E N 0.350 120.588 120.200 0.063 0.000 2.445 1444 E HA 0.293 4.642 4.350 -0.001 0.000 0.189 1444 E C 0.678 177.314 176.600 0.061 0.000 1.069 1444 E CA 0.381 56.818 56.400 0.062 0.000 0.871 1444 E CB -0.047 29.695 29.700 0.069 0.000 0.991 1444 E HN 0.727 nan 8.360 nan 0.000 0.481 1445 G N -0.985 107.851 108.800 0.060 0.000 2.574 1445 G HA2 0.259 4.218 3.960 -0.001 0.000 0.299 1445 G HA3 0.259 4.218 3.960 -0.001 0.000 0.299 1445 G C 0.706 175.645 174.900 0.065 0.000 1.298 1445 G CA -0.671 44.479 45.100 0.084 0.000 0.952 1445 G HN -0.008 nan 8.290 nan 0.000 0.477 1446 V N 0.728 120.694 119.914 0.087 0.000 2.439 1446 V HA -0.153 3.966 4.120 -0.001 0.000 0.253 1446 V C 1.897 177.950 176.094 -0.068 0.000 1.074 1446 V CA 2.273 64.587 62.300 0.023 0.000 1.076 1446 V CB -0.466 31.385 31.823 0.046 0.000 0.664 1446 V HN 0.839 nan 8.190 nan 0.000 0.461 1447 D N 1.132 121.520 120.400 -0.021 0.000 2.870 1447 D HA -0.003 4.636 4.640 -0.001 0.000 0.241 1447 D C 0.649 176.925 176.300 -0.040 0.000 1.234 1447 D CA -0.444 53.511 54.000 -0.075 0.000 0.844 1447 D CB -0.685 40.164 40.800 0.081 0.000 1.051 1447 D HN 0.722 nan 8.370 nan 0.000 0.469 1448 Q N -0.264 119.505 119.800 -0.052 0.000 2.262 1448 Q HA 0.086 4.426 4.340 -0.001 0.000 0.272 1448 Q C 0.693 176.605 176.000 -0.147 0.000 1.076 1448 Q CA -0.539 55.225 55.803 -0.064 0.000 0.905 1448 Q CB 1.495 30.200 28.738 -0.056 0.000 1.182 1448 Q HN 0.148 nan 8.270 nan 0.000 0.390 1449 L N 3.194 124.288 121.223 -0.215 0.000 2.179 1449 L HA 0.238 4.578 4.340 -0.001 0.000 0.208 1449 L C -0.533 175.882 176.870 -0.758 0.000 1.096 1449 L CA 1.435 55.971 54.840 -0.506 0.000 0.779 1449 L CB 0.203 41.875 42.059 -0.645 0.000 0.922 1449 L HN 0.710 nan 8.230 nan 0.000 0.443 1450 F N -2.240 117.652 119.950 -0.097 0.000 2.611 1450 F HA 0.357 4.884 4.527 -0.001 0.000 0.324 1450 F C 1.352 176.993 175.800 -0.266 0.000 1.061 1450 F CA -0.148 57.758 58.000 -0.158 0.000 0.954 1450 F CB 1.409 40.337 39.000 -0.120 0.000 1.301 1450 F HN -0.237 nan 8.300 nan 0.000 0.482 1451 T N -3.834 110.557 114.554 -0.271 0.000 3.001 1451 T HA 0.269 4.619 4.350 -0.001 0.000 0.251 1451 T C -0.412 173.891 174.700 -0.663 0.000 1.040 1451 T CA 0.152 61.812 62.100 -0.734 0.000 0.985 1451 T CB 0.093 67.850 68.868 -1.851 0.000 1.011 1451 T HN 0.480 nan 8.240 nan 0.000 0.509 1452 D N 0.145 120.329 120.400 -0.360 0.000 2.803 1452 D HA 0.490 5.130 4.640 -0.001 0.000 0.218 1452 D C -1.727 174.524 176.300 -0.081 0.000 1.245 1452 D CA -0.827 53.047 54.000 -0.211 0.000 0.821 1452 D CB 1.788 42.459 40.800 -0.214 0.000 1.626 1452 D HN 0.355 nan 8.370 nan 0.000 0.487 1453 Y N 0.856 121.076 120.300 -0.134 0.000 2.576 1453 Y HA 0.765 5.314 4.550 -0.001 0.000 0.346 1453 Y C -1.525 174.318 175.900 -0.096 0.000 1.018 1453 Y CA -0.767 57.234 58.100 -0.164 0.000 1.050 1453 Y CB 1.489 39.837 38.460 -0.186 0.000 1.280 1453 Y HN 0.423 nan 8.280 nan 0.000 0.474 1454 Q N 2.292 122.024 119.800 -0.113 0.000 2.574 1454 Q HA 0.466 4.805 4.340 -0.001 0.000 0.265 1454 Q C -2.326 173.693 176.000 0.032 0.000 0.975 1454 Q CA -0.836 54.865 55.803 -0.171 0.000 0.923 1454 Q CB 1.815 30.458 28.738 -0.158 0.000 1.518 1454 Q HN 0.713 nan 8.270 nan 0.000 0.401 1455 I N 2.001 122.609 120.570 0.064 0.000 2.412 1455 I HA 0.336 4.505 4.170 -0.001 0.000 0.279 1455 I C -0.460 175.690 176.117 0.056 0.000 1.063 1455 I CA -0.047 61.301 61.300 0.080 0.000 1.193 1455 I CB 1.167 39.233 38.000 0.110 0.000 1.370 1455 I HN 0.511 nan 8.210 nan 0.000 0.479 1456 K N 3.918 124.352 120.400 0.058 0.000 2.123 1456 K HA 0.268 4.588 4.320 -0.001 0.000 0.259 1456 K C -0.397 176.237 176.600 0.055 0.000 0.960 1456 K CA -0.594 55.712 56.287 0.030 0.000 0.872 1456 K CB 0.852 33.366 32.500 0.023 0.000 1.079 1456 K HN 0.370 nan 8.250 nan 0.000 0.440 1457 D N 3.067 123.421 120.400 -0.076 0.000 3.421 1457 D HA -0.205 4.434 4.640 -0.001 0.000 0.191 1457 D C 0.785 177.181 176.300 0.159 0.000 1.267 1457 D CA 1.822 55.708 54.000 -0.191 0.000 0.702 1457 D CB -1.195 39.416 40.800 -0.316 0.000 0.925 1457 D HN 0.965 nan 8.370 nan 0.000 0.424 1458 G N 0.391 109.260 108.800 0.114 0.000 2.189 1458 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.267 1458 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.267 1458 G C 0.149 175.034 174.900 -0.026 0.000 0.975 1458 G CA 0.471 45.628 45.100 0.095 0.000 0.644 1458 G HN 0.726 nan 8.290 nan 0.000 0.537 1459 H N -0.771 118.354 119.070 0.093 0.000 2.469 1459 H HA 0.488 5.044 4.556 -0.001 0.000 0.342 1459 H C -0.550 174.802 175.328 0.040 0.000 1.115 1459 H CA -0.622 55.479 56.048 0.088 0.000 1.204 1459 H CB 2.234 32.050 29.762 0.091 0.000 1.492 1459 H HN 0.044 nan 8.280 nan 0.000 0.499 1460 V N 6.037 126.013 119.914 0.103 0.000 2.348 1460 V HA 0.184 4.303 4.120 -0.001 0.000 0.270 1460 V C 0.430 176.495 176.094 -0.049 0.000 1.037 1460 V CA -0.246 62.029 62.300 -0.041 0.000 0.872 1460 V CB 0.381 32.050 31.823 -0.257 0.000 1.002 1460 V HN 0.545 nan 8.190 nan 0.000 0.464 1461 I N 6.857 127.401 120.570 -0.043 0.000 2.405 1461 I HA 0.376 4.545 4.170 -0.001 0.000 0.280 1461 I C -0.216 175.821 176.117 -0.133 0.000 1.027 1461 I CA -0.163 61.102 61.300 -0.059 0.000 1.161 1461 I CB 1.128 39.126 38.000 -0.004 0.000 1.300 1461 I HN 0.392 nan 8.210 nan 0.000 0.463 1462 L N 5.958 127.036 121.223 -0.243 0.000 2.416 1462 L HA 0.499 4.839 4.340 -0.001 0.000 0.262 1462 L C -0.077 176.677 176.870 -0.194 0.000 1.093 1462 L CA -0.426 54.205 54.840 -0.348 0.000 0.801 1462 L CB 0.962 42.499 42.059 -0.871 0.000 1.191 1462 L HN 0.528 nan 8.230 nan 0.000 0.459 1463 Q N 1.873 121.610 119.800 -0.105 0.000 2.309 1463 Q HA 0.631 4.971 4.340 -0.001 0.000 0.273 1463 Q C -1.799 174.238 176.000 0.061 0.000 1.040 1463 Q CA -0.776 55.036 55.803 0.014 0.000 0.834 1463 Q CB 2.923 31.686 28.738 0.042 0.000 1.345 1463 Q HN 0.328 nan 8.270 nan 0.000 0.414 1464 L N -1.134 120.182 121.223 0.154 0.000 2.403 1464 L HA 0.572 4.912 4.340 -0.001 0.000 0.253 1464 L C 0.380 177.378 176.870 0.213 0.000 1.045 1464 L CA -0.816 54.084 54.840 0.101 0.000 0.845 1464 L CB 0.293 42.414 42.059 0.103 0.000 1.447 1464 L HN 0.394 nan 8.230 nan 0.000 0.411 1465 N N -0.184 118.630 118.700 0.191 0.000 2.381 1465 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 1465 N C 0.248 175.797 175.510 0.064 0.000 1.025 1465 N CA 1.191 54.361 53.050 0.199 0.000 0.888 1465 N CB 0.246 38.850 38.487 0.196 0.000 0.965 1465 N HN 0.744 nan 8.380 nan 0.000 0.438 1466 S N -0.863 114.872 115.700 0.060 0.000 2.622 1466 S HA 0.398 4.868 4.470 -0.001 0.000 0.275 1466 S C -2.022 172.613 174.600 0.059 0.000 1.112 1466 S CA -0.771 57.447 58.200 0.030 0.000 0.837 1466 S CB 0.312 63.508 63.200 -0.006 0.000 1.082 1466 S HN 0.003 nan 8.310 nan 0.000 0.456 1467 I N 3.324 123.957 120.570 0.104 0.000 2.428 1467 I HA 0.351 4.520 4.170 -0.001 0.000 0.279 1467 I C -2.376 173.830 176.117 0.148 0.000 1.040 1467 I CA -2.262 59.132 61.300 0.157 0.000 1.171 1467 I CB 1.669 39.851 38.000 0.303 0.000 1.312 1467 I HN 0.418 nan 8.210 nan 0.000 0.470 1468 P HA -0.006 nan 4.420 nan 0.000 0.267 1468 P C 0.341 177.676 177.300 0.059 0.000 1.195 1468 P CA 0.421 63.557 63.100 0.061 0.000 0.773 1468 P CB 0.687 32.410 31.700 0.038 0.000 0.837 1469 S N -0.116 115.607 115.700 0.038 0.000 2.497 1469 S HA -0.054 4.415 4.470 -0.001 0.000 0.218 1469 S C 1.881 176.473 174.600 -0.013 0.000 1.023 1469 S CA 0.610 58.807 58.200 -0.004 0.000 0.913 1469 S CB -0.483 62.701 63.200 -0.028 0.000 0.800 1469 S HN 0.631 nan 8.310 nan 0.000 0.505 1470 S N 2.661 118.365 115.700 0.007 0.000 2.372 1470 S HA -0.170 4.300 4.470 -0.001 0.000 0.227 1470 S C 0.671 175.289 174.600 0.030 0.000 1.044 1470 S CA 1.722 59.931 58.200 0.016 0.000 1.050 1470 S CB -0.564 62.649 63.200 0.022 0.000 0.901 1470 S HN 0.682 nan 8.310 nan 0.000 0.447 1471 D N -0.974 119.451 120.400 0.042 0.000 3.009 1471 D HA 0.523 5.162 4.640 -0.001 0.000 0.318 1471 D C -0.760 175.588 176.300 0.079 0.000 1.273 1471 D CA -1.000 53.064 54.000 0.105 0.000 1.001 1471 D CB -0.491 40.401 40.800 0.153 0.000 1.411 1471 D HN 0.136 nan 8.370 nan 0.000 0.577 1472 F N -0.707 119.286 119.950 0.072 0.000 2.362 1472 F HA 0.585 5.111 4.527 -0.001 0.000 0.311 1472 F C 0.195 176.045 175.800 0.082 0.000 1.161 1472 F CA -0.705 57.354 58.000 0.099 0.000 1.085 1472 F CB 0.909 39.964 39.000 0.091 0.000 1.311 1472 F HN 0.292 nan 8.300 nan 0.000 0.524 1473 L N 1.343 122.746 121.223 0.300 0.000 2.476 1473 L HA 0.569 4.908 4.340 -0.001 0.000 0.269 1473 L C -1.833 175.168 176.870 0.219 0.000 0.965 1473 L CA -0.102 54.844 54.840 0.177 0.000 0.845 1473 L CB 1.194 43.314 42.059 0.102 0.000 1.259 1473 L HN 0.618 nan 8.230 nan 0.000 0.403 1474 c N 4.124 122.822 118.600 0.163 0.000 2.408 1474 c HA 0.637 5.206 4.570 -0.001 0.000 0.321 1474 c C -0.042 174.181 174.090 0.222 0.000 1.245 1474 c CA -0.802 55.635 56.329 0.179 0.000 1.523 1474 c CB 1.602 44.180 42.510 0.114 0.000 2.178 1474 c HN 0.603 nan 8.230 nan 0.000 0.488 1475 V N 6.368 126.460 119.914 0.297 0.000 2.472 1475 V HA 0.755 4.874 4.120 -0.001 0.000 0.290 1475 V C -0.542 175.674 176.094 0.204 0.000 1.037 1475 V CA -0.222 62.284 62.300 0.343 0.000 0.908 1475 V CB 1.058 33.021 31.823 0.234 0.000 0.985 1475 V HN 0.953 nan 8.190 nan 0.000 0.454 1476 R N 6.078 126.703 120.500 0.208 0.000 2.686 1476 R HA 0.675 5.015 4.340 -0.001 0.000 0.286 1476 R C -1.496 174.938 176.300 0.223 0.000 0.969 1476 R CA -0.480 55.697 56.100 0.129 0.000 0.898 1476 R CB 1.649 31.971 30.300 0.036 0.000 1.183 1476 R HN 0.811 nan 8.270 nan 0.000 0.456 1477 F N -1.518 118.356 119.950 -0.127 0.000 2.688 1477 F HA 0.574 5.101 4.527 -0.001 0.000 0.308 1477 F C -0.884 174.775 175.800 -0.235 0.000 1.117 1477 F CA -1.396 56.503 58.000 -0.169 0.000 0.976 1477 F CB 1.392 40.278 39.000 -0.191 0.000 1.291 1477 F HN 0.364 nan 8.300 nan 0.000 0.439 1478 R N 2.386 122.717 120.500 -0.282 0.000 2.543 1478 R HA 0.829 5.168 4.340 -0.001 0.000 0.268 1478 R C -0.827 175.115 176.300 -0.597 0.000 1.067 1478 R CA -0.946 54.857 56.100 -0.495 0.000 1.142 1478 R CB 1.548 31.570 30.300 -0.464 0.000 1.110 1478 R HN 0.855 nan 8.270 nan 0.000 0.549 1479 I N -1.280 118.892 120.570 -0.663 0.000 2.571 1479 I HA 0.407 4.577 4.170 -0.001 0.000 0.289 1479 I C -1.016 174.754 176.117 -0.578 0.000 1.115 1479 I CA -1.161 59.728 61.300 -0.685 0.000 1.045 1479 I CB 1.509 39.259 38.000 -0.416 0.000 1.238 1479 I HN 0.313 nan 8.210 nan 0.000 0.424 1480 F N 1.920 121.758 119.950 -0.187 0.000 2.422 1480 F HA 0.563 5.089 4.527 -0.001 0.000 0.333 1480 F C 0.414 176.165 175.800 -0.081 0.000 1.095 1480 F CA -1.163 56.741 58.000 -0.160 0.000 1.038 1480 F CB 0.579 39.440 39.000 -0.232 0.000 1.156 1480 F HN 0.452 nan 8.300 nan 0.000 0.483 1481 E N 3.382 123.665 120.200 0.139 0.000 1.802 1481 E HA 0.068 4.418 4.350 -0.001 0.000 0.265 1481 E C 1.168 177.826 176.600 0.097 0.000 1.168 1481 E CA -0.091 56.364 56.400 0.091 0.000 1.033 1481 E CB 0.529 30.270 29.700 0.070 0.000 1.095 1481 E HN 0.832 nan 8.360 nan 0.000 0.436 1482 L N 3.731 124.983 121.223 0.048 0.000 2.089 1482 L HA -0.199 4.141 4.340 -0.001 0.000 0.213 1482 L C 0.246 177.097 176.870 -0.030 0.000 1.079 1482 L CA 1.583 56.404 54.840 -0.033 0.000 0.758 1482 L CB 0.062 42.015 42.059 -0.175 0.000 0.891 1482 L HN 0.374 nan 8.230 nan 0.000 0.433 1483 F N -2.751 117.248 119.950 0.083 0.000 2.923 1483 F HA 0.614 5.141 4.527 -0.001 0.000 0.323 1483 F C -1.124 174.693 175.800 0.028 0.000 1.189 1483 F CA -2.325 55.703 58.000 0.046 0.000 0.930 1483 F CB 0.392 39.420 39.000 0.046 0.000 1.414 1483 F HN -0.336 nan 8.300 nan 0.000 0.496 1484 E N 1.694 122.090 120.200 0.327 0.000 2.109 1484 E HA 0.552 4.901 4.350 -0.001 0.000 0.278 1484 E C -0.406 176.209 176.600 0.024 0.000 0.954 1484 E CA -0.775 55.705 56.400 0.133 0.000 0.779 1484 E CB 1.655 31.375 29.700 0.034 0.000 1.093 1484 E HN 0.788 nan 8.360 nan 0.000 0.401 1485 V N 0.358 120.305 119.914 0.055 0.000 2.850 1485 V HA 0.829 4.948 4.120 -0.001 0.000 0.315 1485 V C 0.875 176.921 176.094 -0.082 0.000 1.064 1485 V CA -0.145 62.144 62.300 -0.019 0.000 0.979 1485 V CB 1.647 33.513 31.823 0.071 0.000 1.039 1485 V HN 0.616 nan 8.190 nan 0.000 0.452 1486 G N 1.885 110.605 108.800 -0.133 0.000 2.629 1486 G HA2 0.077 4.036 3.960 -0.001 0.000 0.213 1486 G HA3 0.077 4.036 3.960 -0.001 0.000 0.213 1486 G C 0.236 174.872 174.900 -0.440 0.000 1.425 1486 G CA 0.334 45.204 45.100 -0.383 0.000 0.929 1486 G HN 0.769 nan 8.290 nan 0.000 0.527 1487 F N 2.530 122.472 119.950 -0.014 0.000 2.883 1487 F HA 0.381 4.907 4.527 -0.001 0.000 0.312 1487 F C 0.117 175.906 175.800 -0.018 0.000 1.246 1487 F CA -1.286 56.704 58.000 -0.017 0.000 1.238 1487 F CB -0.131 38.856 39.000 -0.021 0.000 1.195 1487 F HN 0.029 nan 8.300 nan 0.000 0.526 1488 L N 0.654 121.936 121.223 0.098 0.000 2.653 1488 L HA 0.109 4.448 4.340 -0.001 0.000 0.288 1488 L C 0.356 177.256 176.870 0.049 0.000 1.243 1488 L CA -0.459 54.422 54.840 0.069 0.000 0.906 1488 L CB -0.531 41.549 42.059 0.035 0.000 1.154 1488 L HN 0.364 nan 8.230 nan 0.000 0.498 1489 S N 3.244 118.965 115.700 0.035 0.000 2.616 1489 S HA 0.828 5.297 4.470 -0.001 0.000 0.277 1489 S C -2.412 172.174 174.600 -0.024 0.000 1.234 1489 S CA -1.197 57.001 58.200 -0.003 0.000 1.028 1489 S CB 0.807 64.004 63.200 -0.006 0.000 0.988 1489 S HN 0.750 nan 8.310 nan 0.000 0.522 1490 P HA 0.353 nan 4.420 nan 0.000 0.269 1490 P C -0.483 176.831 177.300 0.023 0.000 1.209 1490 P CA -0.241 62.815 63.100 -0.072 0.000 0.776 1490 P CB 0.475 32.165 31.700 -0.017 0.000 0.876 1491 A N 2.400 125.154 122.820 -0.110 0.000 2.336 1491 A HA 0.713 5.033 4.320 -0.001 0.000 0.291 1491 A C 0.186 177.913 177.584 0.237 0.000 1.266 1491 A CA -0.102 51.967 52.037 0.052 0.000 0.891 1491 A CB -0.114 18.887 19.000 0.002 0.000 1.366 1491 A HN 0.576 nan 8.150 nan 0.000 0.507 1492 T N -2.942 111.813 114.554 0.336 0.000 2.940 1492 T HA 0.631 4.981 4.350 -0.001 0.000 0.288 1492 T C -1.038 173.957 174.700 0.492 0.000 1.033 1492 T CA -0.349 61.955 62.100 0.340 0.000 1.033 1492 T CB 1.311 70.257 68.868 0.131 0.000 1.079 1492 T HN 0.944 nan 8.240 nan 0.000 0.496 1493 F N 2.001 122.052 119.950 0.168 0.000 2.577 1493 F HA 0.628 5.155 4.527 -0.001 0.000 0.344 1493 F C -0.568 175.247 175.800 0.025 0.000 1.145 1493 F CA -0.875 57.156 58.000 0.052 0.000 0.996 1493 F CB 1.445 40.397 39.000 -0.080 0.000 1.248 1493 F HN 0.933 nan 8.300 nan 0.000 0.447 1494 T N 5.755 120.218 114.554 -0.152 0.000 2.861 1494 T HA 0.721 5.071 4.350 -0.001 0.000 0.287 1494 T C -1.968 172.536 174.700 -0.327 0.000 1.003 1494 T CA -0.584 61.348 62.100 -0.279 0.000 0.977 1494 T CB 1.361 70.224 68.868 -0.009 0.000 0.996 1494 T HN 0.889 nan 8.240 nan 0.000 0.448 1495 V N 7.231 126.885 119.914 -0.433 0.000 2.623 1495 V HA 0.900 5.019 4.120 -0.001 0.000 0.304 1495 V C -1.962 173.813 176.094 -0.531 0.000 1.054 1495 V CA -0.661 61.296 62.300 -0.571 0.000 0.882 1495 V CB 1.172 32.572 31.823 -0.705 0.000 1.002 1495 V HN 1.056 nan 8.190 nan 0.000 0.424 1496 Y N 1.964 122.033 120.300 -0.384 0.000 2.655 1496 Y HA 0.758 5.308 4.550 -0.001 0.000 0.336 1496 Y C -0.627 175.223 175.900 -0.084 0.000 1.154 1496 Y CA -1.386 56.632 58.100 -0.137 0.000 1.055 1496 Y CB 1.238 39.657 38.460 -0.068 0.000 1.295 1496 Y HN 0.633 nan 8.280 nan 0.000 0.465 1497 E N 0.626 120.991 120.200 0.274 0.000 2.289 1497 E HA 0.114 4.464 4.350 -0.001 0.000 0.278 1497 E C -0.250 176.417 176.600 0.111 0.000 1.032 1497 E CA -0.366 56.086 56.400 0.087 0.000 0.854 1497 E CB 0.562 30.264 29.700 0.004 0.000 1.046 1497 E HN 0.706 nan 8.360 nan 0.000 0.409 1498 Y N 3.622 123.751 120.300 -0.286 0.000 2.224 1498 Y HA -0.197 4.353 4.550 -0.001 0.000 0.289 1498 Y C 1.132 176.890 175.900 -0.237 0.000 1.146 1498 Y CA 2.014 59.898 58.100 -0.361 0.000 1.182 1498 Y CB 0.113 37.955 38.460 -1.031 0.000 0.983 1498 Y HN 0.721 nan 8.280 nan 0.000 0.524 1499 H N -0.374 118.608 119.070 -0.147 0.000 2.539 1499 H HA 0.223 4.779 4.556 -0.001 0.000 0.267 1499 H C -0.153 175.090 175.328 -0.142 0.000 0.982 1499 H CA 0.103 56.057 56.048 -0.157 0.000 1.146 1499 H CB 0.189 29.891 29.762 -0.101 0.000 1.382 1499 H HN 0.181 nan 8.280 nan 0.000 0.577 1500 R N -1.396 119.083 120.500 -0.034 0.000 3.033 1500 R HA 0.206 4.545 4.340 -0.001 0.000 0.236 1500 R C -2.954 173.307 176.300 -0.064 0.000 1.774 1500 R CA -1.429 54.631 56.100 -0.066 0.000 1.401 1500 R CB 0.239 30.492 30.300 -0.078 0.000 1.539 1500 R HN -0.114 nan 8.270 nan 0.000 0.618 1501 P HA -0.193 nan 4.420 nan 0.000 0.224 1501 P C -0.002 177.191 177.300 -0.177 0.000 1.142 1501 P CA 1.139 64.085 63.100 -0.257 0.000 0.778 1501 P CB 0.171 31.620 31.700 -0.418 0.000 0.764 1502 D N -0.548 119.775 120.400 -0.128 0.000 2.219 1502 D HA -0.102 4.538 4.640 -0.001 0.000 0.205 1502 D C 0.505 176.779 176.300 -0.042 0.000 0.970 1502 D CA 1.088 55.023 54.000 -0.108 0.000 0.851 1502 D CB -0.333 40.388 40.800 -0.132 0.000 0.943 1502 D HN 0.179 nan 8.370 nan 0.000 0.488 1503 K N 1.151 121.560 120.400 0.014 0.000 2.222 1503 K HA 0.213 4.533 4.320 -0.001 0.000 0.243 1503 K C -0.357 176.372 176.600 0.215 0.000 1.160 1503 K CA -0.019 56.327 56.287 0.098 0.000 1.090 1503 K CB 0.371 32.939 32.500 0.112 0.000 1.694 1503 K HN 0.016 nan 8.250 nan 0.000 0.361 1504 Q N 1.563 121.436 119.800 0.123 0.000 2.454 1504 Q HA 0.250 4.590 4.340 -0.001 0.000 0.255 1504 Q C -1.264 174.783 176.000 0.078 0.000 1.034 1504 Q CA -0.429 55.442 55.803 0.114 0.000 0.736 1504 Q CB 1.039 29.770 28.738 -0.012 0.000 1.210 1504 Q HN 0.548 nan 8.270 nan 0.000 0.500 1505 c N 2.842 121.505 118.600 0.105 0.000 2.369 1505 c HA 0.681 5.250 4.570 -0.001 0.000 0.358 1505 c C -0.091 173.945 174.090 -0.090 0.000 1.274 1505 c CA 0.255 56.595 56.329 0.019 0.000 1.935 1505 c CB 0.300 42.849 42.510 0.065 0.000 2.431 1505 c HN 0.777 nan 8.230 nan 0.000 0.545 1506 T N 6.945 121.444 114.554 -0.092 0.000 2.861 1506 T HA 0.561 4.911 4.350 -0.001 0.000 0.287 1506 T C -0.772 173.847 174.700 -0.136 0.000 1.003 1506 T CA -0.301 61.714 62.100 -0.143 0.000 0.977 1506 T CB 1.450 70.238 68.868 -0.134 0.000 0.996 1506 T HN 0.814 nan 8.240 nan 0.000 0.448 1507 M N 3.024 122.547 119.600 -0.128 0.000 2.386 1507 M HA 0.614 5.094 4.480 -0.001 0.000 0.293 1507 M C -1.755 174.577 176.300 0.053 0.000 1.120 1507 M CA -0.757 54.544 55.300 0.002 0.000 0.909 1507 M CB 1.475 34.160 32.600 0.142 0.000 1.661 1507 M HN 0.469 nan 8.290 nan 0.000 0.452 1508 F N 4.124 124.208 119.950 0.223 0.000 2.399 1508 F HA 0.539 5.066 4.527 -0.001 0.000 0.342 1508 F C -0.299 175.692 175.800 0.319 0.000 1.106 1508 F CA 0.219 58.359 58.000 0.234 0.000 1.196 1508 F CB 0.742 39.825 39.000 0.139 0.000 1.163 1508 F HN 0.512 nan 8.300 nan 0.000 0.547 1509 Y N -0.716 119.781 120.300 0.329 0.000 2.624 1509 Y HA 0.640 5.189 4.550 -0.001 0.000 0.334 1509 Y C -1.296 174.691 175.900 0.145 0.000 1.155 1509 Y CA -1.110 57.108 58.100 0.196 0.000 1.046 1509 Y CB 1.428 39.979 38.460 0.151 0.000 1.316 1509 Y HN 0.430 nan 8.280 nan 0.000 0.457 1510 S N 0.603 116.245 115.700 -0.097 0.000 2.536 1510 S HA 0.339 4.809 4.470 -0.001 0.000 0.298 1510 S C 0.078 174.614 174.600 -0.106 0.000 1.083 1510 S CA -0.299 57.775 58.200 -0.209 0.000 0.995 1510 S CB 1.786 64.945 63.200 -0.068 0.000 1.058 1510 S HN 0.892 nan 8.310 nan 0.000 0.488 1511 T N 2.336 116.806 114.554 -0.141 0.000 3.219 1511 T HA 0.299 4.649 4.350 -0.001 0.000 0.249 1511 T C 0.187 174.870 174.700 -0.028 0.000 1.099 1511 T CA 0.558 62.633 62.100 -0.042 0.000 0.988 1511 T CB -0.660 68.177 68.868 -0.053 0.000 0.999 1511 T HN 0.705 nan 8.240 nan 0.000 0.550 1512 S N -0.182 115.504 115.700 -0.023 0.000 2.656 1512 S HA 0.514 4.984 4.470 -0.001 0.000 0.273 1512 S C -0.383 174.216 174.600 -0.001 0.000 1.168 1512 S CA -0.943 57.249 58.200 -0.013 0.000 0.817 1512 S CB 1.192 64.382 63.200 -0.016 0.000 1.146 1512 S HN 0.124 nan 8.310 nan 0.000 0.475 1513 N N -0.139 118.562 118.700 0.002 0.000 2.143 1513 N HA 0.280 5.020 4.740 -0.001 0.000 0.222 1513 N C -0.336 175.179 175.510 0.007 0.000 1.264 1513 N CA -0.164 52.891 53.050 0.008 0.000 0.897 1513 N CB 0.152 38.645 38.487 0.010 0.000 1.092 1513 N HN 0.645 nan 8.380 nan 0.000 0.516 1514 I N 1.563 122.135 120.570 0.003 0.000 2.668 1514 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 1514 I C 0.862 176.986 176.117 0.011 0.000 1.168 1514 I CA 0.041 61.342 61.300 0.002 0.000 1.424 1514 I CB 0.272 38.266 38.000 -0.009 0.000 1.377 1514 I HN -0.228 nan 8.210 nan 0.000 0.560 1515 K N 8.728 129.135 120.400 0.012 0.000 2.229 1515 K HA 0.409 4.728 4.320 -0.001 0.000 0.247 1515 K C -0.555 176.058 176.600 0.023 0.000 1.117 1515 K CA -0.164 56.136 56.287 0.021 0.000 1.036 1515 K CB -0.286 32.224 32.500 0.018 0.000 1.654 1515 K HN 0.469 nan 8.250 nan 0.000 0.405 1516 I N 2.236 122.826 120.570 0.033 0.000 2.779 1516 I HA 0.168 4.338 4.170 -0.001 0.000 0.285 1516 I C 0.058 176.206 176.117 0.052 0.000 1.134 1516 I CA -0.347 60.968 61.300 0.026 0.000 1.398 1516 I CB 0.939 38.940 38.000 0.001 0.000 1.404 1516 I HN 0.529 nan 8.210 nan 0.000 0.587 1517 Q N 4.961 124.782 119.800 0.036 0.000 2.295 1517 Q HA 0.487 4.827 4.340 -0.001 0.000 0.268 1517 Q C -1.827 174.193 176.000 0.033 0.000 1.010 1517 Q CA -0.697 55.134 55.803 0.046 0.000 0.856 1517 Q CB 2.042 30.798 28.738 0.030 0.000 1.349 1517 Q HN 0.547 nan 8.270 nan 0.000 0.412 1518 K N 1.996 122.425 120.400 0.048 0.000 2.482 1518 K HA 0.590 4.910 4.320 -0.001 0.000 0.257 1518 K C -0.255 176.364 176.600 0.032 0.000 0.969 1518 K CA -0.837 55.471 56.287 0.034 0.000 0.842 1518 K CB 2.194 34.719 32.500 0.042 0.000 1.359 1518 K HN 0.337 nan 8.250 nan 0.000 0.441 1519 V N -0.469 119.457 119.914 0.020 0.000 2.298 1519 V HA -0.070 4.050 4.120 -0.001 0.000 0.226 1519 V C 0.566 176.672 176.094 0.019 0.000 1.053 1519 V CA 0.613 62.922 62.300 0.016 0.000 1.029 1519 V CB 0.008 31.836 31.823 0.008 0.000 0.659 1519 V HN 0.888 nan 8.190 nan 0.000 0.470 1520 c N 0.619 119.228 118.600 0.015 0.000 3.104 1520 c HA 0.360 4.929 4.570 -0.001 0.000 0.206 1520 c C 0.046 174.144 174.090 0.013 0.000 1.429 1520 c CA -0.987 55.352 56.329 0.017 0.000 1.105 1520 c CB -1.176 41.340 42.510 0.011 0.000 1.904 1520 c HN 0.588 nan 8.230 nan 0.000 0.626 1521 E N 0.753 120.961 120.200 0.013 0.000 2.373 1521 E HA 0.452 4.801 4.350 -0.001 0.000 0.263 1521 E C 0.991 177.596 176.600 0.009 0.000 1.073 1521 E CA 0.126 56.529 56.400 0.006 0.000 0.894 1521 E CB 0.837 30.536 29.700 -0.002 0.000 1.008 1521 E HN 0.638 nan 8.360 nan 0.000 0.420 1522 G N 0.782 109.585 108.800 0.004 0.000 2.716 1522 G HA2 0.244 4.203 3.960 -0.001 0.000 0.251 1522 G HA3 0.244 4.203 3.960 -0.001 0.000 0.251 1522 G C 0.413 175.318 174.900 0.009 0.000 1.224 1522 G CA -0.025 45.079 45.100 0.006 0.000 0.891 1522 G HN 0.810 nan 8.290 nan 0.000 0.561 1523 A N -1.972 120.856 122.820 0.015 0.000 2.799 1523 A HA 0.101 4.421 4.320 -0.001 0.000 0.287 1523 A C 1.307 178.906 177.584 0.025 0.000 1.484 1523 A CA 2.392 54.441 52.037 0.019 0.000 0.813 1523 A CB -1.576 17.432 19.000 0.012 0.000 1.009 1523 A HN 2.548 nan 8.150 nan 0.000 0.545 1524 A N -2.767 120.076 122.820 0.038 0.000 1.805 1524 A HA 0.470 4.789 4.320 -0.001 0.000 0.127 1524 A C 1.249 178.884 177.584 0.086 0.000 1.483 1524 A CA 0.872 52.953 52.037 0.073 0.000 2.456 1524 A CB -0.667 18.365 19.000 0.053 0.000 2.518 1524 A HN 1.940 nan 8.150 nan 0.000 1.267 1525 c N 1.736 120.376 118.600 0.067 0.000 2.835 1525 c HA 0.375 4.945 4.570 -0.001 0.000 0.340 1525 c C 1.851 175.959 174.090 0.031 0.000 1.387 1525 c CA 1.740 58.102 56.329 0.054 0.000 2.196 1525 c CB -0.164 42.368 42.510 0.038 0.000 2.473 1525 c HN 1.452 nan 8.230 nan 0.000 0.757 1526 K N -0.441 119.969 120.400 0.017 0.000 3.020 1526 K HA -0.239 4.081 4.320 -0.001 0.000 0.266 1526 K C 0.228 176.827 176.600 -0.001 0.000 1.067 1526 K CA 1.431 57.721 56.287 0.004 0.000 0.780 1526 K CB -2.212 30.290 32.500 0.003 0.000 1.220 1526 K HN 0.698 nan 8.250 nan 0.000 0.483 1527 c N -1.812 116.787 118.600 -0.000 0.000 4.130 1527 c HA 0.158 4.727 4.570 -0.001 0.000 0.542 1527 c C 2.181 176.252 174.090 -0.031 0.000 1.142 1527 c CA 0.223 56.546 56.329 -0.009 0.000 2.532 1527 c CB 0.257 42.770 42.510 0.005 0.000 3.521 1527 c HN 0.424 nan 8.230 nan 0.000 0.430 1528 V N 1.082 120.974 119.914 -0.036 0.000 2.273 1528 V HA -0.076 4.044 4.120 -0.001 0.000 0.242 1528 V C 2.206 178.207 176.094 -0.155 0.000 1.035 1528 V CA 2.518 64.738 62.300 -0.133 0.000 1.013 1528 V CB -0.660 31.020 31.823 -0.239 0.000 0.652 1528 V HN 0.577 nan 8.190 nan 0.000 0.452 1529 E N 1.088 121.221 120.200 -0.110 0.000 2.347 1529 E HA -0.029 4.321 4.350 -0.001 0.000 0.196 1529 E C 1.515 178.077 176.600 -0.063 0.000 1.008 1529 E CA 0.878 57.225 56.400 -0.089 0.000 0.852 1529 E CB -0.227 29.442 29.700 -0.052 0.000 0.783 1529 E HN 0.550 nan 8.360 nan 0.000 0.505 1530 A N 0.298 123.088 122.820 -0.050 0.000 2.543 1530 A HA 0.101 4.420 4.320 -0.001 0.000 0.258 1530 A C 0.241 177.799 177.584 -0.043 0.000 1.391 1530 A CA 0.342 52.356 52.037 -0.038 0.000 1.066 1530 A CB -0.081 18.904 19.000 -0.026 0.000 0.972 1530 A HN 0.239 nan 8.150 nan 0.000 0.560 1531 D N -1.875 118.492 120.400 -0.055 0.000 2.557 1531 D HA 0.079 4.718 4.640 -0.001 0.000 0.317 1531 D C -0.095 176.170 176.300 -0.058 0.000 1.403 1531 D CA -0.086 53.882 54.000 -0.054 0.000 0.886 1531 D CB -0.012 40.753 40.800 -0.059 0.000 1.363 1531 D HN 0.388 nan 8.370 nan 0.000 0.458 1532 C N 0.000 119.263 119.300 -0.061 0.000 2.653 1532 C HA 0.000 4.460 4.460 -0.001 0.000 0.325 1532 C CA 0.000 58.983 59.018 -0.059 0.000 1.963 1532 C CB 0.000 27.702 27.740 -0.063 0.000 2.134 1532 C HN 0.000 nan 8.230 nan 0.000 0.568