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 2b39_1_B DATA FIRST_RESID 30 DATA SEQUENCE TPNILRLESE ETVVLEAHGG QGTIQVSVTV HDFPAKKQVL SNENTQLNSN DATA SEQUENCE NGYLSTVTIK IPASKELKSD KGHKFVTVVA TFGNVQVEKV VLISLQSGYL DATA SEQUENCE FIQTDKTIYT PGSTVLYRVF TVDHKLLPVG QTVFITIETP DGIPVKRDSK DATA SEQUENCE SSQNQFGILT LSWNIPELVN MGVWKIKAYY EDSPQQVFSA EFEVKEYVLP DATA SEQUENCE SFEVQLEPEE KFYYIDDPDG LKVNIIARFL YGEQVDGTAF VIFGVQDGDR DATA SEQUENCE RISLTHSLTR VPINDGNGEA ILKRQVLLNG VQPSRADALV GKSIYVSATV DATA SEQUENCE ILQSGSDMVE AERTGIPIVT SPYQIHFTKT PKFFKPAMPF DLMVYVTNPD DATA SEQUENCE GSPARHIPVV TQGSNVQSLT QDDGVAKLSI NTQNKRDPLT ITVRTKKDNI DATA SEQUENCE PEGRQATRTM QALPYNTQGN SNNYLHLSVP RVELKPGETL NVNFHLRTDP DATA SEQUENCE GEQAKIRYYT YMIMNKGKLL KVGRQYREPG QDLVVLPLTI TSDFIPSFRL DATA SEQUENCE VAYYTLINAK GQREVVADSV WVDVKDScMG TLVVKNGGKE EKHHRPGQQI DATA SEQUENCE TLKIEADQGA RVGLVAVDKG VFVLNKKNKL TQRKIWDVVE KADIGcTPGS DATA SEQUENCE GRNYAGVFTD AGLTLKTSQG LETQQRADPQ cPQXXXXXXX SVQLMEKRMD DATA SEQUENCE KAGQYSSDLR KccEDGMRDN PMKFPcQRRA QFILQGDAcV KAFLDccEYI DATA SEQUENCE TQLRQQHSRD GALXXXXXXX DDDIIPEEDI ISRSQFPESW LWTVIEDLKQ DATA SEQUENCE ADKNGISTKL MNVFLKDSIT TWEILAVSLS DKKGIcVADP YEVTVMQDFF DATA SEQUENCE IDLRLPYSVV RNEQVEIRAI LYNYREAENL KVRVELLYNP AFcSLATAKK DATA SEQUENCE RHQQTITIPA RSSVAVPYVI VPLKIGLHEV EVKAAVYNHF ISDGVKKTLK DATA SEQUENCE VVPEGVRVNK TVAVRTLNPE HLGQGGVQRE EVPAADLSDQ VPDTESETKI DATA SEQUENCE LLQGTPVAQM TEDAIDGERL KHLIQTPSGC GEQNMIGMTP TVIAVHYLDS DATA SEQUENCE TDQWEKFGLE KRQESLELIR KGYTQQLAFR QKSSAYAAFQ YRPPSTWLTA DATA SEQUENCE YVVKVFALAA NLIAIDSKDL cETVKWLILE KQKPDGIFQE DGPVIHQEMI DATA SEQUENCE GGFRDTREKD VSLTAFVLIA LHEAKDIcEA QVNSLGRSIA KAGDFLENHY DATA SEQUENCE RELRRPYTVA IAAYALALLG KLEGDRLTKF LNTAKEKNRW EEPNQKLYNV DATA SEQUENCE EATSYALLAL LARKDYDTTP PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA DATA SEQUENCE QYQKDVPDHK ELNLDVSIQL PSRNSAVRHR ILWESASLLR SEETKENERF DATA SEQUENCE TVKAEGKGQG TLSVVTVYHA KLKGKVScKK FDLRVSIRPA PETVKKPQDA DATA SEQUENCE KGSMILDIcT KYLGDQDATM SILDISMMTG FSPDVEDLKT LSTGVDRYIS DATA SEQUENCE KYEMNRDSNK NTLIIYLDKV SHTVEDcLSF KVHQYFNVGL IQPGAVKVYS DATA SEQUENCE YYNLDETcIR FYHPDKEDGM LSKLcHKDTc RcAEENcFXX XXXXXXTLED DATA SEQUENCE RLDKAcEPGV DYVYKTRLIQ KKLEDDFDEY IMVIENIIKS GSDEVQVKQE DATA SEQUENCE RKFISHIKcR EALKLKEGAH YLVWGVSSDL WGEKPKISYI IGKDTWVELW DATA SEQUENCE PEAEEcQDEE NQKQcEDLAN FTENMVVFGc PN 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 30 T HA 0.000 nan 4.350 nan 0.000 0.228 30 T C 0.000 174.747 174.700 0.079 0.000 1.109 30 T CA 0.000 62.138 62.100 0.063 0.000 1.349 30 T CB 0.000 68.894 68.868 0.043 0.000 0.612 31 P HA 0.201 nan 4.420 nan 0.000 0.272 31 P C 0.586 177.942 177.300 0.094 0.000 1.254 31 P CA -0.166 62.997 63.100 0.105 0.000 0.795 31 P CB 0.853 32.616 31.700 0.105 0.000 1.022 32 N N -0.705 118.056 118.700 0.102 0.000 2.051 32 N HA -0.059 4.668 4.740 -0.022 0.000 0.192 32 N C 0.348 175.910 175.510 0.086 0.000 1.049 32 N CA 0.717 53.819 53.050 0.086 0.000 0.845 32 N CB -0.117 38.425 38.487 0.091 0.000 1.031 32 N HN 0.330 nan 8.380 nan 0.000 0.425 33 I N 1.240 121.871 120.570 0.101 0.000 2.412 33 I HA 0.210 4.367 4.170 -0.022 0.000 0.296 33 I C 0.081 176.263 176.117 0.108 0.000 0.987 33 I CA -0.409 60.955 61.300 0.107 0.000 1.180 33 I CB 2.005 40.068 38.000 0.105 0.000 1.340 33 I HN 0.037 nan 8.210 nan 0.000 0.455 34 L N 4.504 125.789 121.223 0.103 0.000 2.945 34 L HA 0.622 4.949 4.340 -0.022 0.000 0.171 34 L C 0.229 177.155 176.870 0.094 0.000 1.669 34 L CA -0.923 53.975 54.840 0.097 0.000 1.963 34 L CB 0.312 42.424 42.059 0.088 0.000 2.719 34 L HN 0.520 nan 8.230 nan 0.000 0.570 35 R N -0.198 120.350 120.500 0.081 0.000 2.633 35 R HA 0.398 4.725 4.340 -0.022 0.000 0.255 35 R C -1.922 174.408 176.300 0.051 0.000 1.106 35 R CA -0.543 55.598 56.100 0.069 0.000 0.959 35 R CB 1.163 31.528 30.300 0.107 0.000 1.259 35 R HN 0.402 nan 8.270 nan 0.000 0.453 36 L N 4.410 125.650 121.223 0.030 0.000 2.349 36 L HA 0.260 4.587 4.340 -0.022 0.000 0.275 36 L C 0.216 177.095 176.870 0.016 0.000 1.115 36 L CA -0.102 54.751 54.840 0.021 0.000 0.820 36 L CB 1.027 43.092 42.059 0.009 0.000 1.135 36 L HN 0.844 nan 8.230 nan 0.000 0.445 37 E N 1.072 121.283 120.200 0.018 0.000 2.320 37 E HA -0.192 4.145 4.350 -0.022 0.000 0.234 37 E C -0.041 176.574 176.600 0.025 0.000 1.183 37 E CA 0.837 57.245 56.400 0.015 0.000 0.713 37 E CB -1.226 28.474 29.700 -0.000 0.000 1.226 37 E HN 0.868 nan 8.360 nan 0.000 0.382 38 S N -0.874 114.850 115.700 0.039 0.000 4.094 38 S HA 0.646 5.102 4.470 -0.022 0.000 0.236 38 S C -0.097 174.532 174.600 0.047 0.000 1.056 38 S CA -0.780 57.454 58.200 0.057 0.000 1.564 38 S CB 2.252 65.505 63.200 0.089 0.000 1.097 38 S HN 0.060 nan 8.310 nan 0.000 0.734 39 E N 1.038 121.269 120.200 0.052 0.000 2.551 39 E HA 0.353 4.690 4.350 -0.022 0.000 0.321 39 E C -1.434 175.189 176.600 0.038 0.000 0.975 39 E CA -0.261 56.161 56.400 0.037 0.000 0.784 39 E CB 1.529 31.245 29.700 0.026 0.000 1.493 39 E HN 0.480 nan 8.360 nan 0.000 0.385 40 E N 0.931 121.157 120.200 0.043 0.000 2.281 40 E HA 0.584 4.921 4.350 -0.022 0.000 0.257 40 E C -0.001 176.624 176.600 0.042 0.000 0.971 40 E CA -0.640 55.789 56.400 0.048 0.000 0.839 40 E CB 1.874 31.609 29.700 0.058 0.000 1.238 40 E HN 0.427 nan 8.360 nan 0.000 0.412 41 T N -2.539 112.043 114.554 0.048 0.000 2.912 41 T HA 0.601 4.938 4.350 -0.022 0.000 0.299 41 T C -0.102 174.632 174.700 0.057 0.000 1.052 41 T CA -0.797 61.331 62.100 0.047 0.000 0.996 41 T CB 1.028 69.923 68.868 0.045 0.000 1.070 41 T HN 0.110 nan 8.240 nan 0.000 0.465 42 V N 1.327 121.274 119.914 0.054 0.000 2.973 42 V HA 0.723 4.829 4.120 -0.022 0.000 0.314 42 V C -0.289 175.847 176.094 0.070 0.000 1.066 42 V CA -0.844 61.492 62.300 0.059 0.000 1.021 42 V CB 1.851 33.705 31.823 0.052 0.000 1.076 42 V HN 0.855 nan 8.190 nan 0.000 0.462 43 V N 3.431 123.392 119.914 0.078 0.000 2.439 43 V HA 0.378 4.484 4.120 -0.022 0.000 0.277 43 V C -0.647 175.503 176.094 0.093 0.000 1.008 43 V CA -0.262 62.095 62.300 0.096 0.000 0.846 43 V CB 0.980 32.878 31.823 0.125 0.000 1.031 43 V HN 0.629 nan 8.190 nan 0.000 0.441 44 L N 3.735 125.012 121.223 0.090 0.000 2.312 44 L HA 0.695 5.021 4.340 -0.022 0.000 0.281 44 L C 0.188 177.118 176.870 0.100 0.000 1.070 44 L CA 0.050 54.944 54.840 0.090 0.000 0.805 44 L CB 0.833 42.943 42.059 0.085 0.000 1.174 44 L HN 0.515 nan 8.230 nan 0.000 0.434 45 E N 1.242 121.501 120.200 0.097 0.000 2.331 45 E HA 0.632 4.969 4.350 -0.022 0.000 0.275 45 E C -1.078 175.602 176.600 0.134 0.000 0.895 45 E CA -0.870 55.593 56.400 0.105 0.000 0.753 45 E CB 2.250 31.935 29.700 -0.025 0.000 1.216 45 E HN 0.632 nan 8.360 nan 0.000 0.434 46 A N 2.654 125.550 122.820 0.127 0.000 3.079 46 A HA 0.267 4.574 4.320 -0.022 0.000 0.315 46 A C -0.864 176.850 177.584 0.216 0.000 1.334 46 A CA -0.558 51.513 52.037 0.057 0.000 1.048 46 A CB -0.501 18.446 19.000 -0.088 0.000 1.156 46 A HN 0.568 nan 8.150 nan 0.000 0.523 47 H N 0.984 120.092 119.070 0.063 0.000 3.282 47 H HA 0.249 4.791 4.556 -0.022 0.000 0.242 47 H C 1.439 176.860 175.328 0.154 0.000 0.880 47 H CA 1.182 57.320 56.048 0.151 0.000 1.392 47 H CB -0.308 29.534 29.762 0.132 0.000 1.525 47 H HN 1.058 nan 8.280 nan 0.000 0.515 48 G N 2.789 111.741 108.800 0.253 0.000 2.368 48 G HA2 -0.138 3.809 3.960 -0.022 0.000 0.290 48 G HA3 -0.138 3.809 3.960 -0.022 0.000 0.290 48 G C 0.662 175.636 174.900 0.124 0.000 1.098 48 G CA -0.072 45.128 45.100 0.167 0.000 1.073 48 G HN 0.958 nan 8.290 nan 0.000 0.511 49 G N -0.625 108.240 108.800 0.109 0.000 2.504 49 G HA2 0.701 4.648 3.960 -0.022 0.000 0.288 49 G HA3 0.701 4.648 3.960 -0.022 0.000 0.288 49 G C 0.481 175.401 174.900 0.033 0.000 1.182 49 G CA 0.156 45.285 45.100 0.049 0.000 0.894 49 G HN 1.041 nan 8.290 nan 0.000 0.521 50 Q N -0.154 119.656 119.800 0.015 0.000 2.370 50 Q HA 0.485 4.812 4.340 -0.022 0.000 0.186 50 Q C 1.799 177.802 176.000 0.005 0.000 1.093 50 Q CA -0.100 55.713 55.803 0.017 0.000 1.142 50 Q CB -0.150 28.603 28.738 0.025 0.000 1.175 50 Q HN 0.493 nan 8.270 nan 0.000 0.625 51 G N 0.066 108.869 108.800 0.005 0.000 2.599 51 G HA2 -0.219 3.728 3.960 -0.022 0.000 0.219 51 G HA3 -0.219 3.728 3.960 -0.022 0.000 0.219 51 G C 0.323 175.218 174.900 -0.007 0.000 1.193 51 G CA 1.452 46.551 45.100 -0.001 0.000 0.778 51 G HN 0.936 nan 8.290 nan 0.000 0.589 52 T N -2.152 112.398 114.554 -0.006 0.000 3.295 52 T HA 0.610 4.946 4.350 -0.022 0.000 0.331 52 T C -0.976 173.717 174.700 -0.011 0.000 1.142 52 T CA -0.870 61.223 62.100 -0.011 0.000 1.078 52 T CB 1.808 70.674 68.868 -0.004 0.000 1.150 52 T HN 0.125 nan 8.240 nan 0.000 0.465 53 I N 1.835 122.381 120.570 -0.039 0.000 2.797 53 I HA 0.604 4.761 4.170 -0.022 0.000 0.307 53 I C -0.124 175.983 176.117 -0.017 0.000 1.033 53 I CA -0.810 60.460 61.300 -0.050 0.000 1.071 53 I CB 2.255 40.118 38.000 -0.227 0.000 1.255 53 I HN 0.679 nan 8.210 nan 0.000 0.445 54 Q N 4.012 123.841 119.800 0.049 0.000 2.309 54 Q HA 0.591 4.917 4.340 -0.022 0.000 0.270 54 Q C -1.622 174.462 176.000 0.139 0.000 1.023 54 Q CA -0.652 55.193 55.803 0.071 0.000 0.758 54 Q CB 2.064 30.843 28.738 0.068 0.000 1.247 54 Q HN 0.621 nan 8.270 nan 0.000 0.455 55 V N 1.042 121.028 119.914 0.121 0.000 2.834 55 V HA 0.790 4.897 4.120 -0.022 0.000 0.313 55 V C -0.102 176.061 176.094 0.116 0.000 1.060 55 V CA -0.755 61.652 62.300 0.179 0.000 0.989 55 V CB 1.512 33.443 31.823 0.179 0.000 1.041 55 V HN 0.807 nan 8.190 nan 0.000 0.459 56 S N 0.623 116.390 115.700 0.112 0.000 2.536 56 S HA 0.856 5.312 4.470 -0.022 0.000 0.287 56 S C -0.911 173.727 174.600 0.064 0.000 1.101 56 S CA -0.753 57.491 58.200 0.073 0.000 0.950 56 S CB 1.680 64.919 63.200 0.064 0.000 1.056 56 S HN 0.752 nan 8.310 nan 0.000 0.481 57 V N 1.925 121.864 119.914 0.041 0.000 2.555 57 V HA 0.795 4.902 4.120 -0.022 0.000 0.302 57 V C -0.395 175.692 176.094 -0.012 0.000 1.038 57 V CA -0.609 61.705 62.300 0.023 0.000 0.887 57 V CB 1.643 33.478 31.823 0.021 0.000 0.991 57 V HN 1.137 nan 8.190 nan 0.000 0.434 58 T N 0.975 115.502 114.554 -0.045 0.000 3.078 58 T HA 0.508 4.845 4.350 -0.022 0.000 0.328 58 T C -0.650 173.834 174.700 -0.361 0.000 0.987 58 T CA -0.528 61.468 62.100 -0.173 0.000 1.049 58 T CB 0.900 69.735 68.868 -0.054 0.000 1.011 58 T HN 0.262 nan 8.240 nan 0.000 0.463 59 V N 4.631 124.336 119.914 -0.349 0.000 2.775 59 V HA 0.408 4.515 4.120 -0.022 0.000 0.299 59 V C 0.153 175.935 176.094 -0.521 0.000 1.062 59 V CA -0.035 62.103 62.300 -0.271 0.000 1.063 59 V CB 0.411 32.169 31.823 -0.108 0.000 0.994 59 V HN 0.843 nan 8.190 nan 0.000 0.483 60 H N 0.662 119.764 119.070 0.053 0.000 2.966 60 H HA 0.359 4.902 4.556 -0.022 0.000 0.330 60 H C -1.256 174.112 175.328 0.067 0.000 1.292 60 H CA -1.011 55.063 56.048 0.043 0.000 1.127 60 H CB 1.499 31.276 29.762 0.025 0.000 1.863 60 H HN 0.586 nan 8.280 nan 0.000 0.543 61 D N 1.914 122.426 120.400 0.186 0.000 2.390 61 D HA -0.005 4.622 4.640 -0.022 0.000 0.249 61 D C 1.459 177.785 176.300 0.043 0.000 1.144 61 D CA -0.102 53.949 54.000 0.086 0.000 0.880 61 D CB 0.621 41.387 40.800 -0.056 0.000 1.182 61 D HN 0.462 nan 8.370 nan 0.000 0.451 62 F N 2.337 122.355 119.950 0.113 0.000 2.154 62 F HA -0.101 4.413 4.527 -0.022 0.000 0.301 62 F C -0.923 174.943 175.800 0.110 0.000 1.087 62 F CA 0.573 58.660 58.000 0.146 0.000 1.274 62 F CB -1.946 37.217 39.000 0.273 0.000 1.009 62 F HN 0.269 nan 8.300 nan 0.000 0.485 63 P HA 0.175 nan 4.420 nan 0.000 0.207 63 P C -0.214 176.940 177.300 -0.243 0.000 1.208 63 P CA 1.265 64.044 63.100 -0.535 0.000 0.908 63 P CB -0.025 31.192 31.700 -0.805 0.000 0.744 64 A N -0.036 122.635 122.820 -0.249 0.000 2.335 64 A HA 0.423 4.729 4.320 -0.022 0.000 0.304 64 A C -0.326 177.171 177.584 -0.146 0.000 1.118 64 A CA -0.771 51.175 52.037 -0.150 0.000 0.757 64 A CB 0.680 19.606 19.000 -0.123 0.000 1.188 64 A HN 0.110 nan 8.150 nan 0.000 0.460 65 K N 2.423 122.747 120.400 -0.127 0.000 2.146 65 K HA 0.038 4.345 4.320 -0.022 0.000 0.220 65 K C 0.737 177.273 176.600 -0.107 0.000 1.227 65 K CA 0.237 56.453 56.287 -0.117 0.000 1.185 65 K CB -0.239 32.088 32.500 -0.289 0.000 1.333 65 K HN 0.741 nan 8.250 nan 0.000 0.242 66 K N 0.707 121.065 120.400 -0.070 0.000 2.574 66 K HA -0.103 4.204 4.320 -0.022 0.000 0.193 66 K C 0.025 176.617 176.600 -0.014 0.000 1.035 66 K CA 0.713 56.970 56.287 -0.050 0.000 0.982 66 K CB 0.170 32.642 32.500 -0.047 0.000 0.795 66 K HN 0.420 nan 8.250 nan 0.000 0.491 67 Q N 0.125 119.943 119.800 0.031 0.000 2.462 67 Q HA 0.331 4.658 4.340 -0.022 0.000 0.285 67 Q C -1.925 174.206 176.000 0.217 0.000 1.035 67 Q CA -1.009 54.842 55.803 0.080 0.000 0.799 67 Q CB 2.829 31.602 28.738 0.059 0.000 1.452 67 Q HN 0.057 nan 8.270 nan 0.000 0.404 68 V N 3.929 123.953 119.914 0.183 0.000 2.383 68 V HA 0.292 4.399 4.120 -0.022 0.000 0.275 68 V C -0.009 176.119 176.094 0.056 0.000 1.036 68 V CA 0.118 62.546 62.300 0.214 0.000 0.889 68 V CB 0.134 32.051 31.823 0.156 0.000 0.985 68 V HN 0.762 nan 8.190 nan 0.000 0.459 69 L N 5.103 126.294 121.223 -0.053 0.000 2.347 69 L HA 0.376 4.702 4.340 -0.022 0.000 0.196 69 L C 1.123 177.968 176.870 -0.042 0.000 1.072 69 L CA 0.527 55.349 54.840 -0.031 0.000 0.817 69 L CB -0.507 41.541 42.059 -0.020 0.000 1.029 69 L HN 0.718 nan 8.230 nan 0.000 0.478 70 S N -1.209 114.443 115.700 -0.079 0.000 2.648 70 S HA 0.447 4.904 4.470 -0.022 0.000 0.305 70 S C 0.017 174.584 174.600 -0.055 0.000 1.094 70 S CA -0.685 57.486 58.200 -0.047 0.000 0.983 70 S CB 2.480 65.657 63.200 -0.038 0.000 1.101 70 S HN 0.135 nan 8.310 nan 0.000 0.514 71 N N -0.314 118.373 118.700 -0.022 0.000 2.075 71 N HA 0.095 4.821 4.740 -0.022 0.000 0.226 71 N C -0.618 174.895 175.510 0.004 0.000 1.343 71 N CA 0.070 53.115 53.050 -0.009 0.000 0.881 71 N CB 0.304 38.794 38.487 0.005 0.000 1.100 71 N HN 0.839 nan 8.380 nan 0.000 0.495 72 E N 2.924 123.127 120.200 0.005 0.000 3.131 72 E HA -0.130 4.207 4.350 -0.022 0.000 0.258 72 E C -0.361 176.251 176.600 0.020 0.000 0.901 72 E CA 0.580 56.988 56.400 0.013 0.000 0.964 72 E CB -0.167 29.541 29.700 0.013 0.000 0.903 72 E HN 0.293 nan 8.360 nan 0.000 0.537 73 N N 2.665 121.380 118.700 0.025 0.000 2.242 73 N HA 0.470 5.197 4.740 -0.022 0.000 0.292 73 N C -1.098 174.431 175.510 0.031 0.000 1.125 73 N CA -0.735 52.335 53.050 0.033 0.000 0.783 73 N CB 2.163 40.672 38.487 0.038 0.000 1.558 73 N HN 0.410 nan 8.380 nan 0.000 0.472 74 T N -1.019 113.556 114.554 0.036 0.000 2.669 74 T HA 0.497 4.834 4.350 -0.022 0.000 0.283 74 T C -1.599 173.120 174.700 0.032 0.000 1.019 74 T CA -0.459 61.659 62.100 0.030 0.000 1.039 74 T CB 1.253 70.137 68.868 0.027 0.000 1.374 74 T HN 0.566 nan 8.240 nan 0.000 0.523 75 Q N 0.743 120.557 119.800 0.022 0.000 2.433 75 Q HA 0.550 4.877 4.340 -0.022 0.000 0.279 75 Q C -1.098 174.903 176.000 0.003 0.000 1.105 75 Q CA -0.983 54.829 55.803 0.016 0.000 0.815 75 Q CB 2.316 31.063 28.738 0.014 0.000 1.403 75 Q HN 0.496 nan 8.270 nan 0.000 0.435 76 L N 2.564 123.777 121.223 -0.016 0.000 2.397 76 L HA 0.293 4.620 4.340 -0.022 0.000 0.263 76 L C -0.739 176.117 176.870 -0.025 0.000 1.136 76 L CA -0.339 54.485 54.840 -0.026 0.000 1.019 76 L CB -0.056 41.960 42.059 -0.071 0.000 1.352 76 L HN 0.452 nan 8.230 nan 0.000 0.420 77 N N 0.882 119.571 118.700 -0.018 0.000 2.801 77 N HA 0.093 4.819 4.740 -0.022 0.000 0.235 77 N C 1.082 176.575 175.510 -0.030 0.000 1.069 77 N CA 0.237 53.275 53.050 -0.021 0.000 0.946 77 N CB 0.991 39.469 38.487 -0.014 0.000 1.212 77 N HN 0.544 nan 8.380 nan 0.000 0.509 78 S N 1.844 117.525 115.700 -0.031 0.000 2.956 78 S HA -0.486 3.971 4.470 -0.022 0.000 0.401 78 S C 1.615 176.179 174.600 -0.059 0.000 1.491 78 S CA 2.124 60.301 58.200 -0.037 0.000 1.382 78 S CB -1.300 61.882 63.200 -0.029 0.000 1.335 78 S HN 0.808 nan 8.310 nan 0.000 0.470 79 N N 2.487 121.152 118.700 -0.058 0.000 2.348 79 N HA -0.198 4.529 4.740 -0.022 0.000 0.185 79 N C 1.394 176.851 175.510 -0.088 0.000 1.019 79 N CA 1.500 54.508 53.050 -0.071 0.000 0.880 79 N CB -0.659 37.794 38.487 -0.056 0.000 0.965 79 N HN 0.711 nan 8.380 nan 0.000 0.437 80 N N 0.421 119.066 118.700 -0.091 0.000 2.300 80 N HA -0.006 4.720 4.740 -0.022 0.000 0.179 80 N C 1.546 176.932 175.510 -0.207 0.000 1.016 80 N CA 1.437 54.419 53.050 -0.115 0.000 0.876 80 N CB 0.302 38.733 38.487 -0.094 0.000 0.979 80 N HN 0.615 nan 8.380 nan 0.000 0.432 81 G N 0.705 109.365 108.800 -0.234 0.000 3.642 81 G HA2 -0.303 3.644 3.960 -0.022 0.000 0.205 81 G HA3 -0.303 3.644 3.960 -0.022 0.000 0.205 81 G C 0.283 174.916 174.900 -0.445 0.000 1.526 81 G CA 0.490 45.317 45.100 -0.456 0.000 1.097 81 G HN 0.447 nan 8.290 nan 0.000 0.596 82 Y N -2.115 118.139 120.300 -0.077 0.000 3.073 82 Y HA 0.542 5.078 4.550 -0.022 0.000 0.324 82 Y C 0.450 176.316 175.900 -0.057 0.000 0.936 82 Y CA -0.236 57.820 58.100 -0.073 0.000 1.139 82 Y CB -0.463 37.943 38.460 -0.091 0.000 1.418 82 Y HN 0.681 nan 8.280 nan 0.000 0.560 83 L N 3.969 125.219 121.223 0.044 0.000 2.536 83 L HA 0.503 4.829 4.340 -0.022 0.000 0.282 83 L C -0.049 176.834 176.870 0.022 0.000 1.174 83 L CA 0.053 54.917 54.840 0.039 0.000 0.989 83 L CB -0.263 41.772 42.059 -0.040 0.000 1.311 83 L HN 0.312 nan 8.230 nan 0.000 0.455 84 S N 1.137 116.866 115.700 0.050 0.000 2.539 84 S HA 0.402 4.859 4.470 -0.022 0.000 0.235 84 S C -0.016 174.612 174.600 0.047 0.000 1.326 84 S CA -0.425 57.798 58.200 0.038 0.000 1.183 84 S CB 0.596 63.818 63.200 0.038 0.000 1.073 84 S HN 0.659 nan 8.310 nan 0.000 0.480 85 T N -0.257 114.320 114.554 0.038 0.000 2.733 85 T HA 0.527 4.863 4.350 -0.022 0.000 0.294 85 T C -0.116 174.606 174.700 0.036 0.000 0.956 85 T CA -0.645 61.480 62.100 0.041 0.000 0.987 85 T CB 0.639 69.529 68.868 0.036 0.000 0.920 85 T HN 0.398 nan 8.240 nan 0.000 0.470 86 V N 5.929 125.867 119.914 0.040 0.000 2.339 86 V HA 0.281 4.387 4.120 -0.022 0.000 0.261 86 V C 1.117 177.230 176.094 0.031 0.000 1.058 86 V CA -0.753 61.568 62.300 0.034 0.000 0.897 86 V CB -0.021 31.823 31.823 0.036 0.000 1.052 86 V HN 1.126 nan 8.190 nan 0.000 0.480 87 T N 4.540 119.109 114.554 0.026 0.000 2.884 87 T HA 0.727 5.063 4.350 -0.022 0.000 0.298 87 T C -0.384 174.329 174.700 0.022 0.000 0.998 87 T CA -0.265 61.849 62.100 0.024 0.000 1.124 87 T CB 0.847 69.727 68.868 0.019 0.000 0.931 87 T HN 0.374 nan 8.240 nan 0.000 0.531 88 I N 1.149 121.734 120.570 0.024 0.000 2.769 88 I HA 0.546 4.702 4.170 -0.022 0.000 0.298 88 I C -0.409 175.722 176.117 0.023 0.000 1.128 88 I CA -1.242 60.070 61.300 0.020 0.000 1.031 88 I CB 2.677 40.688 38.000 0.019 0.000 1.235 88 I HN 0.597 nan 8.210 nan 0.000 0.423 89 K N 5.442 125.854 120.400 0.019 0.000 2.270 89 K HA 0.734 5.041 4.320 -0.022 0.000 0.255 89 K C -1.614 174.997 176.600 0.019 0.000 0.936 89 K CA -0.447 55.853 56.287 0.021 0.000 0.809 89 K CB 1.673 34.184 32.500 0.018 0.000 1.131 89 K HN 0.629 nan 8.250 nan 0.000 0.427 90 I N 6.537 127.121 120.570 0.024 0.000 2.521 90 I HA 0.306 4.463 4.170 -0.022 0.000 0.277 90 I C -2.431 173.700 176.117 0.023 0.000 1.054 90 I CA -2.187 59.127 61.300 0.024 0.000 1.117 90 I CB 1.797 39.816 38.000 0.032 0.000 1.217 90 I HN 0.511 nan 8.210 nan 0.000 0.469 91 P HA 0.579 nan 4.420 nan 0.000 0.310 91 P C -0.912 176.401 177.300 0.022 0.000 1.309 91 P CA -0.662 62.448 63.100 0.017 0.000 0.769 91 P CB 1.108 32.816 31.700 0.013 0.000 1.327 92 A N -0.439 122.393 122.820 0.019 0.000 3.068 92 A HA 0.292 4.599 4.320 -0.022 0.000 0.269 92 A C 0.481 178.076 177.584 0.018 0.000 1.259 92 A CA -0.156 51.896 52.037 0.024 0.000 0.938 92 A CB -0.980 18.038 19.000 0.031 0.000 1.433 92 A HN 0.333 nan 8.150 nan 0.000 0.664 93 S N -0.380 115.330 115.700 0.016 0.000 2.653 93 S HA 0.051 4.508 4.470 -0.022 0.000 0.233 93 S C 0.800 175.407 174.600 0.012 0.000 0.970 93 S CA 1.215 59.423 58.200 0.013 0.000 0.947 93 S CB -0.066 63.141 63.200 0.012 0.000 0.771 93 S HN 0.500 nan 8.310 nan 0.000 0.538 94 K N 0.761 121.169 120.400 0.014 0.000 2.932 94 K HA 0.260 4.566 4.320 -0.022 0.000 0.194 94 K C -0.622 175.986 176.600 0.012 0.000 1.132 94 K CA 0.124 56.416 56.287 0.010 0.000 1.071 94 K CB 0.459 32.962 32.500 0.006 0.000 0.727 94 K HN 0.035 nan 8.250 nan 0.000 0.441 95 E N 0.577 120.789 120.200 0.020 0.000 3.956 95 E HA 0.107 4.444 4.350 -0.022 0.000 0.177 95 E C -1.144 175.467 176.600 0.018 0.000 1.028 95 E CA -0.354 56.064 56.400 0.031 0.000 1.463 95 E CB 0.380 30.118 29.700 0.062 0.000 1.145 95 E HN 0.074 nan 8.360 nan 0.000 0.423 96 L N 2.723 123.951 121.223 0.008 0.000 2.385 96 L HA 0.109 4.436 4.340 -0.022 0.000 0.281 96 L C 0.727 177.591 176.870 -0.010 0.000 1.106 96 L CA 0.123 54.963 54.840 -0.000 0.000 0.856 96 L CB 0.242 42.303 42.059 0.004 0.000 1.186 96 L HN 0.026 nan 8.230 nan 0.000 0.453 97 K N 2.975 123.358 120.400 -0.027 0.000 2.436 97 K HA 0.268 4.574 4.320 -0.022 0.000 0.275 97 K C -0.001 176.584 176.600 -0.026 0.000 0.999 97 K CA -0.278 55.982 56.287 -0.045 0.000 0.980 97 K CB 0.411 32.864 32.500 -0.078 0.000 0.919 97 K HN 0.598 nan 8.250 nan 0.000 0.484 98 S N 1.646 117.332 115.700 -0.022 0.000 2.707 98 S HA 0.085 4.542 4.470 -0.022 0.000 0.276 98 S C 0.374 174.966 174.600 -0.014 0.000 1.179 98 S CA -0.823 57.370 58.200 -0.012 0.000 0.992 98 S CB 0.983 64.179 63.200 -0.006 0.000 1.030 98 S HN 0.694 nan 8.310 nan 0.000 0.554 99 D N 0.913 121.306 120.400 -0.012 0.000 2.311 99 D HA -0.077 4.550 4.640 -0.022 0.000 0.212 99 D C 1.367 177.658 176.300 -0.016 0.000 0.972 99 D CA 0.960 54.950 54.000 -0.016 0.000 0.887 99 D CB 0.044 40.834 40.800 -0.018 0.000 0.915 99 D HN 0.591 nan 8.370 nan 0.000 0.497 100 K N -0.166 120.228 120.400 -0.009 0.000 2.391 100 K HA 0.227 4.534 4.320 -0.022 0.000 0.197 100 K C 1.152 177.757 176.600 0.009 0.000 1.087 100 K CA -0.006 56.279 56.287 -0.004 0.000 1.012 100 K CB 0.835 33.334 32.500 -0.001 0.000 0.925 100 K HN -0.030 nan 8.250 nan 0.000 0.547 101 G N 1.421 110.229 108.800 0.013 0.000 2.938 101 G HA2 0.502 4.449 3.960 -0.022 0.000 0.258 101 G HA3 0.502 4.449 3.960 -0.022 0.000 0.258 101 G C -0.687 174.236 174.900 0.038 0.000 1.356 101 G CA -0.429 44.702 45.100 0.052 0.000 1.052 101 G HN 0.333 nan 8.290 nan 0.000 0.550 102 H N -1.597 117.346 119.070 -0.212 0.000 3.476 102 H HA 0.784 5.327 4.556 -0.022 0.000 0.317 102 H C -1.330 173.733 175.328 -0.442 0.000 1.674 102 H CA -0.969 54.885 56.048 -0.324 0.000 1.247 102 H CB 1.340 30.831 29.762 -0.451 0.000 1.740 102 H HN 0.436 nan 8.280 nan 0.000 0.667 103 K N -0.261 119.395 120.400 -1.239 0.000 2.592 103 K HA 0.362 4.669 4.320 -0.022 0.000 0.259 103 K C -1.630 174.330 176.600 -1.067 0.000 0.937 103 K CA -0.350 55.161 56.287 -1.293 0.000 0.874 103 K CB 1.855 34.124 32.500 -0.386 0.000 1.339 103 K HN 0.168 nan 8.250 nan 0.000 0.425 104 F N 0.542 119.818 119.950 -1.123 0.000 2.511 104 F HA 0.772 5.286 4.527 -0.022 0.000 0.340 104 F C -0.093 175.785 175.800 0.129 0.000 1.094 104 F CA -1.030 56.770 58.000 -0.334 0.000 1.119 104 F CB 0.792 39.638 39.000 -0.256 0.000 1.775 104 F HN 0.110 nan 8.300 nan 0.000 0.536 105 V N -0.620 119.561 119.914 0.444 0.000 2.966 105 V HA 0.380 4.487 4.120 -0.022 0.000 0.288 105 V C -1.092 175.142 176.094 0.234 0.000 1.380 105 V CA -0.804 61.689 62.300 0.322 0.000 0.966 105 V CB 2.202 34.147 31.823 0.203 0.000 1.115 105 V HN 0.902 nan 8.190 nan 0.000 0.436 106 T N 2.159 116.837 114.554 0.207 0.000 2.902 106 T HA 0.853 5.189 4.350 -0.022 0.000 0.283 106 T C -0.714 174.052 174.700 0.109 0.000 1.009 106 T CA -0.687 61.501 62.100 0.148 0.000 1.051 106 T CB 1.756 70.716 68.868 0.154 0.000 0.999 106 T HN 0.525 nan 8.240 nan 0.000 0.474 107 V N 2.362 122.321 119.914 0.075 0.000 2.513 107 V HA 0.628 4.735 4.120 -0.022 0.000 0.299 107 V C -0.477 175.652 176.094 0.058 0.000 1.035 107 V CA -0.801 61.529 62.300 0.049 0.000 0.889 107 V CB 1.789 33.632 31.823 0.035 0.000 0.988 107 V HN 0.890 nan 8.190 nan 0.000 0.440 108 V N 3.709 123.657 119.914 0.056 0.000 2.445 108 V HA 0.727 4.834 4.120 -0.022 0.000 0.283 108 V C 0.092 176.216 176.094 0.049 0.000 1.014 108 V CA -0.449 61.891 62.300 0.066 0.000 0.852 108 V CB 1.435 33.334 31.823 0.126 0.000 1.021 108 V HN 0.991 nan 8.190 nan 0.000 0.435 109 A N 3.170 126.018 122.820 0.047 0.000 2.318 109 A HA 0.928 5.235 4.320 -0.022 0.000 0.324 109 A C -0.045 177.577 177.584 0.063 0.000 1.170 109 A CA -0.403 51.674 52.037 0.067 0.000 0.810 109 A CB 1.641 20.693 19.000 0.087 0.000 1.198 109 A HN 0.844 nan 8.150 nan 0.000 0.484 110 T N 0.921 115.518 114.554 0.072 0.000 2.916 110 T HA 0.726 5.063 4.350 -0.022 0.000 0.305 110 T C -1.255 173.517 174.700 0.121 0.000 1.119 110 T CA -0.570 61.534 62.100 0.006 0.000 1.008 110 T CB 0.814 69.655 68.868 -0.044 0.000 1.129 110 T HN 1.280 nan 8.240 nan 0.000 0.480 111 F N 1.432 121.397 119.950 0.025 0.000 2.539 111 F HA 0.775 5.289 4.527 -0.022 0.000 0.328 111 F C 0.536 176.350 175.800 0.023 0.000 1.148 111 F CA -0.177 57.839 58.000 0.027 0.000 0.940 111 F CB 0.961 39.980 39.000 0.033 0.000 1.194 111 F HN 1.169 nan 8.300 nan 0.000 0.438 112 G N 3.318 112.176 108.800 0.096 0.000 2.601 112 G HA2 -0.362 3.585 3.960 -0.022 0.000 0.252 112 G HA3 -0.362 3.585 3.960 -0.022 0.000 0.252 112 G C -0.063 174.793 174.900 -0.074 0.000 1.294 112 G CA 0.073 45.188 45.100 0.026 0.000 0.912 112 G HN 1.167 nan 8.290 nan 0.000 0.574 113 N N -0.348 118.306 118.700 -0.078 0.000 2.542 113 N HA 0.326 5.053 4.740 -0.022 0.000 0.234 113 N C -0.331 175.081 175.510 -0.164 0.000 1.257 113 N CA 0.029 53.024 53.050 -0.092 0.000 0.883 113 N CB -0.178 38.277 38.487 -0.054 0.000 1.197 113 N HN 0.470 nan 8.380 nan 0.000 0.488 114 V N 2.192 121.927 119.914 -0.300 0.000 2.462 114 V HA 0.172 4.279 4.120 -0.022 0.000 0.288 114 V C -0.515 175.305 176.094 -0.456 0.000 1.020 114 V CA -0.863 61.188 62.300 -0.414 0.000 0.857 114 V CB 1.316 32.767 31.823 -0.621 0.000 1.013 114 V HN 0.255 nan 8.190 nan 0.000 0.431 115 Q N 3.285 122.943 119.800 -0.237 0.000 2.297 115 Q HA 0.900 5.227 4.340 -0.022 0.000 0.268 115 Q C -1.458 174.481 176.000 -0.101 0.000 1.045 115 Q CA -1.020 54.696 55.803 -0.145 0.000 0.861 115 Q CB 3.115 31.813 28.738 -0.068 0.000 1.344 115 Q HN 0.342 nan 8.270 nan 0.000 0.452 116 V N 2.028 121.913 119.914 -0.047 0.000 2.409 116 V HA 0.244 4.351 4.120 -0.022 0.000 0.290 116 V C -0.789 175.302 176.094 -0.004 0.000 1.017 116 V CA -0.495 61.790 62.300 -0.026 0.000 0.841 116 V CB 1.463 33.281 31.823 -0.008 0.000 1.003 116 V HN 0.829 nan 8.190 nan 0.000 0.426 117 E N 5.075 125.272 120.200 -0.004 0.000 2.239 117 E HA 0.821 5.158 4.350 -0.022 0.000 0.261 117 E C -1.178 175.425 176.600 0.005 0.000 1.016 117 E CA -1.157 55.251 56.400 0.013 0.000 0.882 117 E CB 1.746 31.459 29.700 0.022 0.000 1.190 117 E HN 0.262 nan 8.360 nan 0.000 0.415 118 K N 0.346 120.756 120.400 0.016 0.000 2.622 118 K HA 0.176 4.483 4.320 -0.022 0.000 0.263 118 K C -1.301 175.306 176.600 0.012 0.000 0.947 118 K CA -0.449 55.838 56.287 0.001 0.000 0.885 118 K CB 1.549 34.039 32.500 -0.016 0.000 1.362 118 K HN 0.401 nan 8.250 nan 0.000 0.413 119 V N 1.836 121.743 119.914 -0.012 0.000 2.732 119 V HA 0.510 4.617 4.120 -0.022 0.000 0.297 119 V C 0.675 176.727 176.094 -0.070 0.000 1.060 119 V CA -0.655 61.636 62.300 -0.014 0.000 1.038 119 V CB 1.112 32.892 31.823 -0.071 0.000 1.003 119 V HN 0.514 nan 8.190 nan 0.000 0.481 120 V N 2.992 122.905 119.914 -0.002 0.000 3.139 120 V HA 0.620 4.726 4.120 -0.022 0.000 0.310 120 V C -0.448 175.727 176.094 0.136 0.000 1.260 120 V CA -1.049 61.262 62.300 0.019 0.000 1.064 120 V CB 1.846 33.710 31.823 0.070 0.000 1.160 120 V HN 0.616 nan 8.190 nan 0.000 0.470 121 L N 1.232 122.563 121.223 0.179 0.000 2.334 121 L HA 0.613 4.939 4.340 -0.022 0.000 0.272 121 L C -1.075 175.910 176.870 0.192 0.000 1.020 121 L CA -0.331 54.690 54.840 0.303 0.000 0.812 121 L CB 1.685 43.882 42.059 0.231 0.000 1.264 121 L HN 0.384 nan 8.230 nan 0.000 0.439 122 I N 1.396 122.051 120.570 0.142 0.000 2.498 122 I HA 0.368 4.524 4.170 -0.022 0.000 0.290 122 I C -0.504 175.626 176.117 0.023 0.000 1.032 122 I CA -0.351 60.985 61.300 0.060 0.000 1.073 122 I CB 1.565 39.575 38.000 0.015 0.000 1.251 122 I HN 0.386 nan 8.210 nan 0.000 0.426 123 S N 5.490 121.204 115.700 0.023 0.000 2.756 123 S HA 0.396 4.852 4.470 -0.022 0.000 0.303 123 S C -0.405 174.185 174.600 -0.017 0.000 1.135 123 S CA -0.372 57.827 58.200 -0.001 0.000 1.066 123 S CB 0.782 63.987 63.200 0.008 0.000 1.008 123 S HN 0.484 nan 8.310 nan 0.000 0.482 124 L N 5.368 126.572 121.223 -0.031 0.000 2.727 124 L HA 0.437 4.764 4.340 -0.022 0.000 0.237 124 L C 0.448 177.280 176.870 -0.064 0.000 1.370 124 L CA 0.351 55.168 54.840 -0.038 0.000 1.248 124 L CB -0.198 41.842 42.059 -0.032 0.000 1.556 124 L HN 0.690 nan 8.230 nan 0.000 0.420 125 Q N -0.508 119.242 119.800 -0.084 0.000 3.091 125 Q HA 0.195 4.522 4.340 -0.022 0.000 0.301 125 Q C 0.938 176.834 176.000 -0.174 0.000 1.337 125 Q CA 0.096 55.816 55.803 -0.137 0.000 1.083 125 Q CB 0.232 28.873 28.738 -0.162 0.000 1.477 125 Q HN 0.528 nan 8.270 nan 0.000 0.537 126 S N 0.405 116.011 115.700 -0.156 0.000 2.571 126 S HA 0.135 4.592 4.470 -0.022 0.000 0.245 126 S C 0.646 175.090 174.600 -0.259 0.000 0.976 126 S CA 0.549 58.635 58.200 -0.190 0.000 0.954 126 S CB -0.058 63.011 63.200 -0.219 0.000 0.756 126 S HN 0.774 nan 8.310 nan 0.000 0.535 127 G N -0.794 107.858 108.800 -0.247 0.000 2.392 127 G HA2 0.490 4.437 3.960 -0.022 0.000 0.260 127 G HA3 0.490 4.437 3.960 -0.022 0.000 0.260 127 G C -2.065 172.741 174.900 -0.157 0.000 1.226 127 G CA -0.842 44.164 45.100 -0.157 0.000 0.913 127 G HN 0.190 nan 8.290 nan 0.000 0.483 128 Y N -1.086 119.387 120.300 0.287 0.000 2.571 128 Y HA 0.733 5.269 4.550 -0.022 0.000 0.341 128 Y C -0.550 175.338 175.900 -0.019 0.000 1.076 128 Y CA -0.827 57.324 58.100 0.085 0.000 1.029 128 Y CB 2.665 41.132 38.460 0.013 0.000 1.308 128 Y HN 0.468 nan 8.280 nan 0.000 0.461 129 L N 3.537 124.397 121.223 -0.605 0.000 2.516 129 L HA 0.469 4.796 4.340 -0.022 0.000 0.267 129 L C -1.771 174.542 176.870 -0.928 0.000 0.957 129 L CA -0.415 54.125 54.840 -0.500 0.000 0.860 129 L CB 1.786 43.767 42.059 -0.130 0.000 1.265 129 L HN 0.466 nan 8.230 nan 0.000 0.403 130 F N 3.895 123.805 119.950 -0.068 0.000 2.427 130 F HA 0.558 5.072 4.527 -0.022 0.000 0.348 130 F C 0.057 175.890 175.800 0.054 0.000 1.125 130 F CA -0.494 57.510 58.000 0.006 0.000 0.989 130 F CB 1.543 40.611 39.000 0.112 0.000 1.165 130 F HN 0.156 nan 8.300 nan 0.000 0.442 131 I N 3.170 123.838 120.570 0.163 0.000 2.336 131 I HA 0.326 4.482 4.170 -0.022 0.000 0.292 131 I C -0.357 175.865 176.117 0.175 0.000 0.991 131 I CA -0.540 60.832 61.300 0.120 0.000 1.227 131 I CB 1.485 39.580 38.000 0.158 0.000 1.366 131 I HN 0.543 nan 8.210 nan 0.000 0.466 132 Q N 5.933 125.816 119.800 0.137 0.000 2.341 132 Q HA 0.386 4.713 4.340 -0.022 0.000 0.268 132 Q C -0.781 175.364 176.000 0.241 0.000 1.013 132 Q CA -0.697 55.231 55.803 0.208 0.000 0.798 132 Q CB 1.648 30.542 28.738 0.260 0.000 1.253 132 Q HN 0.792 nan 8.270 nan 0.000 0.457 133 T N 0.489 115.162 114.554 0.198 0.000 2.882 133 T HA 0.083 4.419 4.350 -0.022 0.000 0.287 133 T C 0.878 175.673 174.700 0.158 0.000 0.992 133 T CA -0.696 61.495 62.100 0.152 0.000 1.076 133 T CB 1.415 70.331 68.868 0.080 0.000 0.961 133 T HN 0.679 nan 8.240 nan 0.000 0.490 134 D N 2.613 123.095 120.400 0.137 0.000 2.286 134 D HA -0.172 4.455 4.640 -0.022 0.000 0.197 134 D C 0.793 177.108 176.300 0.025 0.000 1.015 134 D CA 1.709 55.769 54.000 0.100 0.000 0.871 134 D CB 0.142 40.969 40.800 0.045 0.000 1.044 134 D HN 0.809 nan 8.370 nan 0.000 0.459 135 K N -2.142 118.145 120.400 -0.188 0.000 2.401 135 K HA 0.432 4.739 4.320 -0.022 0.000 0.255 135 K C 1.036 177.444 176.600 -0.321 0.000 1.062 135 K CA -0.113 55.971 56.287 -0.338 0.000 0.999 135 K CB 0.539 32.696 32.500 -0.572 0.000 1.415 135 K HN 0.153 nan 8.250 nan 0.000 0.576 136 T N -2.508 111.869 114.554 -0.296 0.000 3.058 136 T HA 0.387 4.724 4.350 -0.022 0.000 0.278 136 T C 0.182 174.882 174.700 -0.001 0.000 0.974 136 T CA -0.344 61.721 62.100 -0.059 0.000 0.893 136 T CB -0.147 68.702 68.868 -0.032 0.000 1.138 136 T HN 0.360 nan 8.240 nan 0.000 0.529 137 I N 1.664 122.119 120.570 -0.192 0.000 2.560 137 I HA 0.440 4.597 4.170 -0.022 0.000 0.283 137 I C -1.523 174.537 176.117 -0.095 0.000 1.115 137 I CA -1.024 60.260 61.300 -0.026 0.000 1.066 137 I CB 1.682 39.668 38.000 -0.025 0.000 1.221 137 I HN 0.098 nan 8.210 nan 0.000 0.450 138 Y N 2.972 123.341 120.300 0.116 0.000 2.567 138 Y HA 0.614 5.151 4.550 -0.022 0.000 0.333 138 Y C 0.716 176.651 175.900 0.059 0.000 1.106 138 Y CA -0.785 57.357 58.100 0.070 0.000 1.157 138 Y CB 2.131 40.605 38.460 0.025 0.000 1.277 138 Y HN 0.425 nan 8.280 nan 0.000 0.490 139 T N -1.271 113.422 114.554 0.232 0.000 2.829 139 T HA 0.322 4.659 4.350 -0.022 0.000 0.280 139 T C -2.354 172.396 174.700 0.083 0.000 0.999 139 T CA -2.279 59.913 62.100 0.152 0.000 0.983 139 T CB 1.783 70.754 68.868 0.173 0.000 0.968 139 T HN 0.287 nan 8.240 nan 0.000 0.446 140 P HA -0.338 nan 4.420 nan 0.000 0.226 140 P C 1.784 179.031 177.300 -0.089 0.000 0.981 140 P CA 2.428 65.508 63.100 -0.034 0.000 1.055 140 P CB -0.396 31.304 31.700 -0.000 0.000 0.721 141 G N -1.511 107.265 108.800 -0.040 0.000 2.432 141 G HA2 -0.148 3.798 3.960 -0.022 0.000 0.219 141 G HA3 -0.148 3.798 3.960 -0.022 0.000 0.219 141 G C 0.353 175.191 174.900 -0.102 0.000 1.135 141 G CA 0.812 45.871 45.100 -0.068 0.000 0.767 141 G HN 0.551 nan 8.290 nan 0.000 0.550 142 S N -0.226 115.442 115.700 -0.052 0.000 2.568 142 S HA 0.332 4.789 4.470 -0.022 0.000 0.282 142 S C 0.250 174.724 174.600 -0.211 0.000 1.338 142 S CA 0.134 58.307 58.200 -0.046 0.000 1.045 142 S CB 1.252 64.519 63.200 0.111 0.000 0.873 142 S HN 0.285 nan 8.310 nan 0.000 0.516 143 T N 2.050 116.489 114.554 -0.193 0.000 2.771 143 T HA 0.362 4.699 4.350 -0.022 0.000 0.291 143 T C -0.263 174.236 174.700 -0.335 0.000 0.954 143 T CA -0.754 61.163 62.100 -0.305 0.000 1.045 143 T CB 0.145 68.889 68.868 -0.206 0.000 0.917 143 T HN 0.551 nan 8.240 nan 0.000 0.484 144 V N 7.174 126.766 119.914 -0.536 0.000 2.488 144 V HA 0.295 4.402 4.120 -0.022 0.000 0.277 144 V C 0.369 176.290 176.094 -0.288 0.000 1.046 144 V CA -0.347 61.567 62.300 -0.644 0.000 0.986 144 V CB 0.734 32.019 31.823 -0.896 0.000 0.989 144 V HN 0.781 nan 8.190 nan 0.000 0.475 145 L N 7.792 128.841 121.223 -0.290 0.000 2.277 145 L HA 0.521 4.848 4.340 -0.022 0.000 0.284 145 L C -0.464 176.245 176.870 -0.268 0.000 1.028 145 L CA -0.429 54.048 54.840 -0.605 0.000 0.835 145 L CB 0.316 41.612 42.059 -1.271 0.000 1.215 145 L HN 0.747 nan 8.230 nan 0.000 0.425 146 Y N 1.709 121.896 120.300 -0.187 0.000 2.562 146 Y HA 0.855 5.392 4.550 -0.022 0.000 0.343 146 Y C -0.604 175.452 175.900 0.260 0.000 1.025 146 Y CA -1.365 56.776 58.100 0.068 0.000 1.082 146 Y CB 1.714 40.162 38.460 -0.020 0.000 1.264 146 Y HN 0.343 nan 8.280 nan 0.000 0.478 147 R N 1.298 121.873 120.500 0.124 0.000 2.771 147 R HA 0.700 5.027 4.340 -0.022 0.000 0.274 147 R C -2.109 173.941 176.300 -0.415 0.000 0.987 147 R CA -1.316 54.643 56.100 -0.235 0.000 0.908 147 R CB 2.912 32.976 30.300 -0.394 0.000 1.213 147 R HN 0.662 nan 8.270 nan 0.000 0.468 148 V N 3.869 123.484 119.914 -0.499 0.000 2.525 148 V HA 0.475 4.582 4.120 -0.022 0.000 0.299 148 V C -1.517 174.335 176.094 -0.403 0.000 1.034 148 V CA -0.639 61.432 62.300 -0.381 0.000 0.863 148 V CB 1.327 33.051 31.823 -0.165 0.000 0.999 148 V HN 0.534 nan 8.190 nan 0.000 0.423 149 F N 4.369 124.351 119.950 0.053 0.000 2.390 149 F HA 0.444 4.957 4.527 -0.022 0.000 0.361 149 F C 1.106 176.957 175.800 0.085 0.000 1.124 149 F CA -0.666 57.376 58.000 0.070 0.000 1.149 149 F CB 1.341 40.407 39.000 0.110 0.000 1.160 149 F HN 0.528 nan 8.300 nan 0.000 0.501 150 T N 1.096 115.781 114.554 0.219 0.000 2.729 150 T HA 0.624 4.961 4.350 -0.022 0.000 0.296 150 T C -0.480 174.430 174.700 0.350 0.000 0.928 150 T CA -0.603 61.641 62.100 0.240 0.000 1.045 150 T CB 0.913 69.889 68.868 0.181 0.000 0.902 150 T HN 0.436 nan 8.240 nan 0.000 0.500 151 V N 3.700 123.871 119.914 0.428 0.000 2.925 151 V HA 0.443 4.550 4.120 -0.022 0.000 0.311 151 V C -0.558 175.729 176.094 0.322 0.000 1.104 151 V CA -1.003 61.503 62.300 0.343 0.000 0.954 151 V CB 2.082 34.109 31.823 0.340 0.000 1.022 151 V HN 1.143 nan 8.190 nan 0.000 0.427 152 D N 3.093 123.630 120.400 0.229 0.000 2.354 152 D HA 0.112 4.739 4.640 -0.022 0.000 0.247 152 D C 1.084 177.583 176.300 0.333 0.000 1.138 152 D CA 0.168 54.280 54.000 0.187 0.000 0.958 152 D CB 1.067 41.941 40.800 0.124 0.000 1.144 152 D HN 0.787 nan 8.370 nan 0.000 0.458 153 H N 0.841 120.032 119.070 0.202 0.000 2.368 153 H HA -0.184 4.359 4.556 -0.022 0.000 0.292 153 H C 0.664 176.157 175.328 0.274 0.000 1.117 153 H CA 1.578 57.801 56.048 0.290 0.000 1.231 153 H CB 0.316 30.187 29.762 0.181 0.000 1.359 153 H HN 0.305 nan 8.280 nan 0.000 0.490 154 K N 1.342 121.907 120.400 0.276 0.000 2.911 154 K HA 0.105 4.412 4.320 -0.022 0.000 0.239 154 K C 0.027 176.723 176.600 0.161 0.000 1.090 154 K CA 0.007 56.385 56.287 0.152 0.000 1.225 154 K CB 0.157 32.700 32.500 0.072 0.000 1.087 154 K HN 0.354 nan 8.250 nan 0.000 0.464 155 L N 0.741 122.093 121.223 0.215 0.000 3.833 155 L HA -0.257 4.070 4.340 -0.022 0.000 0.447 155 L C -0.708 176.234 176.870 0.119 0.000 1.213 155 L CA 0.628 55.563 54.840 0.159 0.000 0.801 155 L CB -1.838 40.264 42.059 0.072 0.000 1.676 155 L HN 0.419 nan 8.230 nan 0.000 0.883 156 L N 1.916 123.222 121.223 0.139 0.000 2.305 156 L HA 0.429 4.756 4.340 -0.022 0.000 0.284 156 L C -1.595 175.348 176.870 0.122 0.000 1.013 156 L CA -1.851 53.053 54.840 0.106 0.000 0.819 156 L CB 1.613 43.726 42.059 0.090 0.000 1.227 156 L HN -0.133 nan 8.230 nan 0.000 0.417 157 P HA -0.056 nan 4.420 nan 0.000 0.237 157 P C -0.459 176.926 177.300 0.141 0.000 1.149 157 P CA 0.278 63.459 63.100 0.136 0.000 1.254 157 P CB -0.114 31.658 31.700 0.120 0.000 1.382 158 V N 3.385 123.387 119.914 0.147 0.000 2.394 158 V HA 0.403 4.509 4.120 -0.022 0.000 0.282 158 V C 1.468 177.642 176.094 0.133 0.000 1.031 158 V CA -0.314 62.058 62.300 0.120 0.000 0.881 158 V CB 1.671 33.539 31.823 0.076 0.000 0.982 158 V HN 0.479 nan 8.190 nan 0.000 0.451 159 G N 4.271 113.132 108.800 0.102 0.000 3.458 159 G HA2 0.276 4.223 3.960 -0.022 0.000 0.256 159 G HA3 0.276 4.223 3.960 -0.022 0.000 0.256 159 G C 0.161 175.084 174.900 0.037 0.000 0.938 159 G CA -0.283 44.852 45.100 0.058 0.000 1.890 159 G HN 0.693 nan 8.290 nan 0.000 0.639 160 Q N -0.011 119.843 119.800 0.091 0.000 2.177 160 Q HA 0.446 4.773 4.340 -0.022 0.000 0.183 160 Q C 0.347 176.354 176.000 0.012 0.000 1.040 160 Q CA -0.459 55.385 55.803 0.069 0.000 1.089 160 Q CB 0.690 29.495 28.738 0.112 0.000 1.130 160 Q HN 0.374 nan 8.270 nan 0.000 0.575 161 T N -1.619 112.894 114.554 -0.068 0.000 2.795 161 T HA 0.610 4.947 4.350 -0.022 0.000 0.282 161 T C -0.336 174.076 174.700 -0.479 0.000 0.980 161 T CA -0.712 61.225 62.100 -0.272 0.000 1.012 161 T CB 0.798 69.455 68.868 -0.351 0.000 0.936 161 T HN 0.253 nan 8.240 nan 0.000 0.457 162 V N 2.462 122.018 119.914 -0.596 0.000 2.914 162 V HA 0.652 4.758 4.120 -0.022 0.000 0.314 162 V C -1.166 174.524 176.094 -0.675 0.000 1.084 162 V CA -1.104 60.769 62.300 -0.712 0.000 0.963 162 V CB 1.874 33.365 31.823 -0.553 0.000 1.025 162 V HN 0.861 nan 8.190 nan 0.000 0.432 163 F N 3.113 122.882 119.950 -0.301 0.000 2.460 163 F HA 0.718 5.232 4.527 -0.022 0.000 0.341 163 F C -0.303 175.528 175.800 0.052 0.000 1.130 163 F CA -1.025 56.912 58.000 -0.105 0.000 0.962 163 F CB 1.377 40.344 39.000 -0.055 0.000 1.171 163 F HN 0.164 nan 8.300 nan 0.000 0.436 164 I N 2.237 122.953 120.570 0.243 0.000 2.412 164 I HA 0.590 4.746 4.170 -0.022 0.000 0.296 164 I C 0.007 176.230 176.117 0.177 0.000 0.987 164 I CA -0.490 60.936 61.300 0.211 0.000 1.180 164 I CB 2.021 40.146 38.000 0.209 0.000 1.340 164 I HN 0.601 nan 8.210 nan 0.000 0.455 165 T N 3.847 118.478 114.554 0.129 0.000 2.965 165 T HA 0.623 4.960 4.350 -0.022 0.000 0.306 165 T C -0.429 174.255 174.700 -0.027 0.000 0.991 165 T CA -0.544 61.579 62.100 0.040 0.000 1.001 165 T CB 0.302 69.184 68.868 0.024 0.000 0.984 165 T HN 0.330 nan 8.240 nan 0.000 0.446 166 I N 3.312 123.806 120.570 -0.127 0.000 2.533 166 I HA 0.231 4.388 4.170 -0.022 0.000 0.284 166 I C 0.669 176.704 176.117 -0.137 0.000 1.109 166 I CA -0.009 61.170 61.300 -0.201 0.000 1.412 166 I CB 0.519 38.176 38.000 -0.571 0.000 1.396 166 I HN 0.638 nan 8.210 nan 0.000 0.543 167 E N 4.117 124.270 120.200 -0.078 0.000 2.212 167 E HA 0.309 4.646 4.350 -0.022 0.000 0.268 167 E C -0.240 176.126 176.600 -0.391 0.000 0.902 167 E CA -0.771 55.523 56.400 -0.177 0.000 0.779 167 E CB 1.970 31.569 29.700 -0.169 0.000 1.172 167 E HN 0.648 nan 8.360 nan 0.000 0.409 168 T N -0.763 113.372 114.554 -0.697 0.000 2.802 168 T HA 0.099 4.436 4.350 -0.022 0.000 0.305 168 T C -1.435 172.613 174.700 -1.087 0.000 1.053 168 T CA -1.339 59.876 62.100 -1.476 0.000 1.058 168 T CB 0.696 68.971 68.868 -0.989 0.000 0.988 168 T HN 0.232 nan 8.240 nan 0.000 0.539 169 P HA 0.017 nan 4.420 nan 0.000 0.231 169 P C 0.062 177.107 177.300 -0.425 0.000 1.158 169 P CA 0.808 63.504 63.100 -0.673 0.000 0.763 169 P CB 0.086 31.454 31.700 -0.552 0.000 0.805 170 D N -0.338 119.807 120.400 -0.424 0.000 2.559 170 D HA 0.285 4.912 4.640 -0.022 0.000 0.234 170 D C 1.388 177.536 176.300 -0.254 0.000 1.226 170 D CA 0.268 54.096 54.000 -0.287 0.000 0.830 170 D CB 0.486 41.129 40.800 -0.263 0.000 1.028 170 D HN 0.123 nan 8.370 nan 0.000 0.492 171 G N 1.644 110.279 108.800 -0.274 0.000 2.553 171 G HA2 -0.251 3.695 3.960 -0.022 0.000 0.242 171 G HA3 -0.251 3.695 3.960 -0.022 0.000 0.242 171 G C -0.028 174.733 174.900 -0.231 0.000 1.277 171 G CA -0.472 44.500 45.100 -0.214 0.000 0.910 171 G HN 0.459 nan 8.290 nan 0.000 0.576 172 I N -0.113 120.358 120.570 -0.164 0.000 7.386 172 I HA -0.148 4.009 4.170 -0.022 0.000 0.126 172 I C -1.761 174.277 176.117 -0.133 0.000 1.839 172 I CA 0.230 61.449 61.300 -0.135 0.000 2.038 172 I CB -0.931 36.969 38.000 -0.168 0.000 3.643 172 I HN 0.709 nan 8.210 nan 0.000 0.169 173 P HA 0.042 nan 4.420 nan 0.000 0.271 173 P C 0.232 177.509 177.300 -0.038 0.000 1.238 173 P CA 0.048 63.102 63.100 -0.077 0.000 0.794 173 P CB 1.604 33.268 31.700 -0.059 0.000 0.959 174 V N -0.998 118.890 119.914 -0.043 0.000 3.869 174 V HA 0.236 4.342 4.120 -0.022 0.000 0.310 174 V C -0.278 175.811 176.094 -0.008 0.000 1.641 174 V CA 0.169 62.485 62.300 0.027 0.000 1.269 174 V CB -0.324 31.517 31.823 0.031 0.000 0.997 174 V HN 0.688 nan 8.190 nan 0.000 0.435 175 K N 1.263 121.619 120.400 -0.072 0.000 2.578 175 K HA 0.453 4.760 4.320 -0.022 0.000 0.263 175 K C -1.324 175.255 176.600 -0.036 0.000 0.973 175 K CA -0.496 55.750 56.287 -0.068 0.000 0.909 175 K CB 1.448 33.821 32.500 -0.211 0.000 1.326 175 K HN 0.235 nan 8.250 nan 0.000 0.440 176 R N 2.678 123.178 120.500 0.000 0.000 2.437 176 R HA 0.372 4.699 4.340 -0.022 0.000 0.310 176 R C -1.194 175.137 176.300 0.052 0.000 0.955 176 R CA -0.870 55.240 56.100 0.018 0.000 0.851 176 R CB 1.557 31.843 30.300 -0.024 0.000 1.161 176 R HN 0.458 nan 8.270 nan 0.000 0.446 177 D N 1.354 121.813 120.400 0.100 0.000 2.408 177 D HA 0.091 4.718 4.640 -0.022 0.000 0.243 177 D C -0.717 175.689 176.300 0.178 0.000 1.075 177 D CA -0.161 53.906 54.000 0.111 0.000 0.832 177 D CB 2.303 43.167 40.800 0.106 0.000 1.162 177 D HN 0.308 nan 8.370 nan 0.000 0.515 178 S N 2.949 118.758 115.700 0.182 0.000 2.150 178 S HA 0.258 4.715 4.470 -0.022 0.000 0.171 178 S C -0.573 174.108 174.600 0.135 0.000 1.620 178 S CA -0.697 57.702 58.200 0.332 0.000 1.190 178 S CB -0.081 63.336 63.200 0.361 0.000 1.102 178 S HN 0.229 nan 8.310 nan 0.000 0.464 179 K N 1.405 121.823 120.400 0.031 0.000 2.259 179 K HA 0.554 4.861 4.320 -0.022 0.000 0.249 179 K C -0.734 175.809 176.600 -0.096 0.000 0.942 179 K CA -0.712 55.556 56.287 -0.031 0.000 0.816 179 K CB 1.979 34.456 32.500 -0.038 0.000 1.155 179 K HN 0.346 nan 8.250 nan 0.000 0.428 180 S N 0.309 115.956 115.700 -0.090 0.000 2.472 180 S HA 0.163 4.620 4.470 -0.022 0.000 0.303 180 S C 0.326 174.863 174.600 -0.105 0.000 1.099 180 S CA -0.754 57.383 58.200 -0.106 0.000 1.077 180 S CB 0.905 64.050 63.200 -0.091 0.000 1.031 180 S HN 0.612 nan 8.310 nan 0.000 0.487 181 S N 3.427 119.071 115.700 -0.094 0.000 2.743 181 S HA 0.147 4.604 4.470 -0.022 0.000 0.230 181 S C 0.904 175.400 174.600 -0.173 0.000 0.950 181 S CA -0.084 58.054 58.200 -0.103 0.000 0.976 181 S CB -0.014 63.165 63.200 -0.034 0.000 0.779 181 S HN 0.744 nan 8.310 nan 0.000 0.487 182 Q N 1.429 121.099 119.800 -0.215 0.000 2.408 182 Q HA 0.235 4.562 4.340 -0.022 0.000 0.205 182 Q C 1.870 177.425 176.000 -0.742 0.000 0.919 182 Q CA 0.480 56.082 55.803 -0.334 0.000 0.932 182 Q CB -0.016 28.635 28.738 -0.145 0.000 1.058 182 Q HN 0.813 nan 8.270 nan 0.000 0.517 183 N N -0.868 117.502 118.700 -0.550 0.000 2.245 183 N HA -0.073 4.654 4.740 -0.022 0.000 0.185 183 N C -0.157 174.945 175.510 -0.681 0.000 1.036 183 N CA 0.202 52.930 53.050 -0.536 0.000 0.857 183 N CB 0.346 38.689 38.487 -0.240 0.000 1.015 183 N HN 0.025 nan 8.380 nan 0.000 0.436 184 Q N 1.047 120.610 119.800 -0.394 0.000 2.423 184 Q HA 0.184 4.511 4.340 -0.022 0.000 0.235 184 Q C -1.287 174.586 176.000 -0.212 0.000 1.100 184 Q CA -0.150 55.525 55.803 -0.213 0.000 0.908 184 Q CB 0.110 28.785 28.738 -0.106 0.000 1.312 184 Q HN 0.275 nan 8.270 nan 0.000 0.497 185 F N 1.891 121.847 119.950 0.010 0.000 2.484 185 F HA 0.134 4.648 4.527 -0.022 0.000 0.355 185 F C 1.720 177.542 175.800 0.036 0.000 1.170 185 F CA 1.025 59.037 58.000 0.020 0.000 1.025 185 F CB -0.313 38.695 39.000 0.013 0.000 1.107 185 F HN 0.807 nan 8.300 nan 0.000 0.589 186 G N 2.932 111.839 108.800 0.179 0.000 2.304 186 G HA2 -0.316 3.631 3.960 -0.022 0.000 0.252 186 G HA3 -0.316 3.631 3.960 -0.022 0.000 0.252 186 G C 0.154 175.163 174.900 0.183 0.000 1.014 186 G CA 0.004 45.208 45.100 0.173 0.000 0.619 186 G HN 0.528 nan 8.290 nan 0.000 0.525 187 I N 1.473 122.133 120.570 0.151 0.000 2.439 187 I HA 0.423 4.580 4.170 -0.022 0.000 0.285 187 I C -0.069 176.051 176.117 0.005 0.000 1.021 187 I CA -0.777 60.618 61.300 0.159 0.000 1.091 187 I CB 1.643 39.783 38.000 0.233 0.000 1.242 187 I HN -0.052 nan 8.210 nan 0.000 0.439 188 L N 6.232 127.405 121.223 -0.082 0.000 2.264 188 L HA 0.398 4.725 4.340 -0.022 0.000 0.289 188 L C 0.370 177.127 176.870 -0.187 0.000 1.044 188 L CA -0.452 54.309 54.840 -0.132 0.000 0.807 188 L CB 1.314 43.284 42.059 -0.149 0.000 1.192 188 L HN 0.585 nan 8.230 nan 0.000 0.425 189 T N 2.267 116.744 114.554 -0.128 0.000 2.758 189 T HA 0.747 5.084 4.350 -0.022 0.000 0.285 189 T C -0.240 174.412 174.700 -0.079 0.000 0.981 189 T CA -0.644 61.412 62.100 -0.073 0.000 0.965 189 T CB 1.207 70.067 68.868 -0.013 0.000 0.927 189 T HN 0.346 nan 8.240 nan 0.000 0.448 190 L N 2.027 123.123 121.223 -0.211 0.000 2.183 190 L HA 0.930 5.257 4.340 -0.022 0.000 0.253 190 L C -0.006 176.747 176.870 -0.194 0.000 1.048 190 L CA -1.243 53.383 54.840 -0.356 0.000 0.890 190 L CB 2.173 43.671 42.059 -0.935 0.000 1.476 190 L HN 0.992 nan 8.230 nan 0.000 0.455 191 S N -1.133 114.608 115.700 0.069 0.000 2.597 191 S HA 0.554 5.011 4.470 -0.022 0.000 0.274 191 S C -2.444 172.413 174.600 0.429 0.000 1.132 191 S CA -0.775 57.586 58.200 0.268 0.000 0.835 191 S CB 1.616 64.835 63.200 0.030 0.000 1.092 191 S HN 0.672 nan 8.310 nan 0.000 0.457 192 W N 2.177 123.498 121.300 0.034 0.000 3.439 192 W HA 0.563 5.209 4.660 -0.022 0.000 0.323 192 W C -2.062 174.364 176.519 -0.155 0.000 1.174 192 W CA -0.505 56.808 57.345 -0.053 0.000 1.224 192 W CB 1.056 30.446 29.460 -0.117 0.000 1.348 192 W HN 0.875 nan 8.180 nan 0.000 0.498 193 N N 6.163 124.476 118.700 -0.645 0.000 2.419 193 N HA 0.384 5.110 4.740 -0.022 0.000 0.264 193 N C -0.386 174.352 175.510 -1.286 0.000 1.031 193 N CA -0.575 52.039 53.050 -0.727 0.000 0.951 193 N CB 1.340 39.604 38.487 -0.371 0.000 1.101 193 N HN 0.238 nan 8.380 nan 0.000 0.488 194 I N 4.330 124.184 120.570 -1.193 0.000 2.517 194 I HA 0.118 4.275 4.170 -0.022 0.000 0.285 194 I C -1.728 174.042 176.117 -0.578 0.000 1.106 194 I CA -1.674 58.915 61.300 -1.186 0.000 1.402 194 I CB 0.354 37.857 38.000 -0.829 0.000 1.399 194 I HN 0.264 nan 8.210 nan 0.000 0.535 195 P HA 0.031 nan 4.420 nan 0.000 0.272 195 P C 0.204 177.440 177.300 -0.107 0.000 1.223 195 P CA -0.272 62.729 63.100 -0.165 0.000 0.784 195 P CB 0.528 32.203 31.700 -0.042 0.000 0.923 196 E N 0.909 121.074 120.200 -0.058 0.000 2.219 196 E HA -0.156 4.180 4.350 -0.022 0.000 0.198 196 E C 0.360 176.948 176.600 -0.020 0.000 0.998 196 E CA 0.837 57.217 56.400 -0.033 0.000 0.818 196 E CB -0.281 29.416 29.700 -0.006 0.000 0.741 196 E HN 0.211 nan 8.360 nan 0.000 0.477 197 L N 0.515 121.734 121.223 -0.007 0.000 2.365 197 L HA 0.613 4.940 4.340 -0.022 0.000 0.273 197 L C -1.028 175.829 176.870 -0.021 0.000 1.000 197 L CA -0.927 53.896 54.840 -0.028 0.000 0.819 197 L CB 2.345 44.403 42.059 -0.002 0.000 1.284 197 L HN 0.011 nan 8.230 nan 0.000 0.418 198 V N 3.663 123.555 119.914 -0.035 0.000 3.216 198 V HA 0.348 4.455 4.120 -0.022 0.000 0.273 198 V C -1.309 174.840 176.094 0.091 0.000 1.664 198 V CA -1.038 61.301 62.300 0.065 0.000 1.021 198 V CB 2.316 34.228 31.823 0.149 0.000 1.250 198 V HN 0.816 nan 8.190 nan 0.000 0.463 199 N N 2.929 121.737 118.700 0.180 0.000 2.294 199 N HA 0.143 4.870 4.740 -0.022 0.000 0.263 199 N C -0.341 175.322 175.510 0.255 0.000 1.281 199 N CA 0.454 53.560 53.050 0.093 0.000 0.846 199 N CB 0.385 38.815 38.487 -0.095 0.000 1.061 199 N HN 0.618 nan 8.380 nan 0.000 0.478 200 M N 1.536 121.191 119.600 0.091 0.000 2.277 200 M HA 0.485 4.952 4.480 -0.022 0.000 0.350 200 M C 0.829 177.189 176.300 0.100 0.000 1.180 200 M CA 0.220 55.595 55.300 0.124 0.000 1.103 200 M CB 1.078 33.702 32.600 0.039 0.000 1.577 200 M HN 0.750 nan 8.290 nan 0.000 0.459 201 G N 1.654 110.545 108.800 0.152 0.000 2.250 201 G HA2 0.025 3.971 3.960 -0.022 0.000 0.252 201 G HA3 0.025 3.971 3.960 -0.022 0.000 0.252 201 G C -1.677 173.289 174.900 0.110 0.000 1.325 201 G CA -0.742 44.404 45.100 0.077 0.000 1.091 201 G HN 0.632 nan 8.290 nan 0.000 0.476 202 V N 1.390 121.299 119.914 -0.008 0.000 2.221 202 V HA 0.383 4.489 4.120 -0.022 0.000 0.258 202 V C 0.085 176.101 176.094 -0.131 0.000 1.179 202 V CA -0.342 61.934 62.300 -0.040 0.000 1.022 202 V CB -0.579 31.217 31.823 -0.046 0.000 1.228 202 V HN 0.464 nan 8.190 nan 0.000 0.487 203 W N 3.602 124.609 121.300 -0.488 0.000 2.034 203 W HA 0.409 5.056 4.660 -0.022 0.000 0.357 203 W C 0.620 176.841 176.519 -0.496 0.000 1.326 203 W CA -0.371 56.617 57.345 -0.595 0.000 1.318 203 W CB 0.395 29.238 29.460 -1.028 0.000 1.193 203 W HN 0.291 nan 8.180 nan 0.000 0.620 204 K N 1.916 122.273 120.400 -0.073 0.000 2.565 204 K HA 0.414 4.721 4.320 -0.022 0.000 0.249 204 K C -0.950 175.702 176.600 0.087 0.000 0.958 204 K CA -0.772 55.526 56.287 0.018 0.000 0.806 204 K CB 1.831 34.318 32.500 -0.021 0.000 1.194 204 K HN 0.234 nan 8.250 nan 0.000 0.434 205 I N 1.984 122.659 120.570 0.175 0.000 2.662 205 I HA 0.213 4.370 4.170 -0.022 0.000 0.291 205 I C -0.008 176.172 176.117 0.106 0.000 1.046 205 I CA -0.236 61.130 61.300 0.109 0.000 1.361 205 I CB 0.838 38.894 38.000 0.093 0.000 1.429 205 I HN 0.454 nan 8.210 nan 0.000 0.558 206 K N 4.165 124.624 120.400 0.099 0.000 2.731 206 K HA 0.625 4.932 4.320 -0.022 0.000 0.257 206 K C -1.590 175.107 176.600 0.160 0.000 1.032 206 K CA -0.310 56.041 56.287 0.107 0.000 0.983 206 K CB 1.483 34.007 32.500 0.039 0.000 1.248 206 K HN 0.726 nan 8.250 nan 0.000 0.484 207 A N 2.700 125.642 122.820 0.203 0.000 2.356 207 A HA 0.831 5.137 4.320 -0.022 0.000 0.323 207 A C -1.618 176.145 177.584 0.299 0.000 1.119 207 A CA -0.591 51.593 52.037 0.245 0.000 0.790 207 A CB 0.684 19.767 19.000 0.139 0.000 1.273 207 A HN 0.658 nan 8.150 nan 0.000 0.452 208 Y N -1.438 118.864 120.300 0.003 0.000 2.581 208 Y HA 0.671 5.207 4.550 -0.022 0.000 0.337 208 Y C -1.365 174.484 175.900 -0.085 0.000 1.108 208 Y CA -2.076 56.004 58.100 -0.033 0.000 1.033 208 Y CB 0.130 38.580 38.460 -0.015 0.000 1.318 208 Y HN 0.616 nan 8.280 nan 0.000 0.459 209 Y N 2.227 122.430 120.300 -0.161 0.000 2.397 209 Y HA 0.102 4.638 4.550 -0.022 0.000 0.335 209 Y C 1.882 177.466 175.900 -0.526 0.000 1.213 209 Y CA 0.829 58.742 58.100 -0.310 0.000 1.391 209 Y CB 1.103 39.483 38.460 -0.133 0.000 1.293 209 Y HN 0.953 nan 8.280 nan 0.000 0.557 210 E N 1.090 121.035 120.200 -0.425 0.000 2.007 210 E HA -0.247 4.090 4.350 -0.022 0.000 0.194 210 E C 0.824 177.393 176.600 -0.051 0.000 0.999 210 E CA 1.746 57.907 56.400 -0.400 0.000 0.811 210 E CB -0.039 29.382 29.700 -0.466 0.000 0.762 210 E HN 0.762 nan 8.360 nan 0.000 0.450 211 D N 0.186 120.573 120.400 -0.023 0.000 2.403 211 D HA -0.070 4.557 4.640 -0.022 0.000 0.227 211 D C 0.030 176.353 176.300 0.038 0.000 0.995 211 D CA 0.875 54.885 54.000 0.017 0.000 0.928 211 D CB 0.073 40.866 40.800 -0.013 0.000 0.887 211 D HN 0.078 nan 8.370 nan 0.000 0.529 212 S N -0.505 115.241 115.700 0.076 0.000 2.413 212 S HA 0.213 4.670 4.470 -0.022 0.000 0.170 212 S C -2.103 172.617 174.600 0.199 0.000 1.294 212 S CA -0.974 57.279 58.200 0.090 0.000 1.201 212 S CB 1.962 65.179 63.200 0.030 0.000 1.328 212 S HN -0.196 nan 8.310 nan 0.000 0.418 213 P HA -0.076 nan 4.420 nan 0.000 0.231 213 P C 0.040 177.405 177.300 0.107 0.000 1.158 213 P CA 0.835 64.172 63.100 0.396 0.000 0.763 213 P CB 0.179 32.038 31.700 0.265 0.000 0.805 214 Q N 0.127 119.956 119.800 0.049 0.000 2.316 214 Q HA 0.141 4.468 4.340 -0.022 0.000 0.215 214 Q C 0.596 176.536 176.000 -0.100 0.000 1.020 214 Q CA -0.269 55.507 55.803 -0.045 0.000 0.970 214 Q CB 0.087 28.796 28.738 -0.048 0.000 1.187 214 Q HN 0.091 nan 8.270 nan 0.000 0.546 215 Q N -0.381 119.322 119.800 -0.161 0.000 2.374 215 Q HA -0.153 4.174 4.340 -0.022 0.000 0.336 215 Q C -0.996 174.755 176.000 -0.416 0.000 1.257 215 Q CA 0.413 56.049 55.803 -0.278 0.000 1.007 215 Q CB -1.633 26.922 28.738 -0.306 0.000 1.106 215 Q HN 0.347 nan 8.270 nan 0.000 0.297 216 V N 3.300 123.024 119.914 -0.316 0.000 2.743 216 V HA 0.448 4.554 4.120 -0.022 0.000 0.301 216 V C 0.389 176.295 176.094 -0.312 0.000 1.057 216 V CA -0.431 61.721 62.300 -0.247 0.000 1.006 216 V CB 0.933 32.667 31.823 -0.149 0.000 1.024 216 V HN 0.381 nan 8.190 nan 0.000 0.473 217 F N 1.921 121.898 119.950 0.045 0.000 2.405 217 F HA 0.489 5.003 4.527 -0.022 0.000 0.355 217 F C 0.949 176.773 175.800 0.041 0.000 1.121 217 F CA -0.265 57.749 58.000 0.024 0.000 1.112 217 F CB 1.264 40.257 39.000 -0.011 0.000 1.126 217 F HN 0.534 nan 8.300 nan 0.000 0.481 218 S N 1.434 117.274 115.700 0.233 0.000 2.646 218 S HA 0.847 5.304 4.470 -0.022 0.000 0.273 218 S C -0.164 174.543 174.600 0.178 0.000 1.168 218 S CA -0.374 57.922 58.200 0.159 0.000 1.013 218 S CB 1.351 64.616 63.200 0.109 0.000 1.098 218 S HN 0.883 nan 8.310 nan 0.000 0.544 219 A N 0.588 123.505 122.820 0.162 0.000 1.884 219 A HA 0.300 4.607 4.320 -0.022 0.000 0.243 219 A C -0.413 177.309 177.584 0.230 0.000 1.556 219 A CA -0.750 51.401 52.037 0.190 0.000 1.608 219 A CB -0.822 18.299 19.000 0.201 0.000 0.932 219 A HN 0.648 nan 8.150 nan 0.000 0.813 220 E N 0.188 120.497 120.200 0.182 0.000 2.442 220 E HA 0.521 4.858 4.350 -0.022 0.000 0.260 220 E C -0.205 176.587 176.600 0.319 0.000 1.148 220 E CA 0.611 57.112 56.400 0.169 0.000 0.976 220 E CB 0.527 30.277 29.700 0.083 0.000 0.967 220 E HN 1.228 nan 8.360 nan 0.000 0.454 221 F N -1.845 118.193 119.950 0.146 0.000 2.725 221 F HA 0.331 4.844 4.527 -0.022 0.000 0.311 221 F C -1.321 174.604 175.800 0.208 0.000 1.121 221 F CA -1.135 56.966 58.000 0.168 0.000 0.978 221 F CB 1.049 40.181 39.000 0.221 0.000 1.274 221 F HN 0.404 nan 8.300 nan 0.000 0.440 222 E N 2.279 122.656 120.200 0.295 0.000 2.214 222 E HA 0.746 5.082 4.350 -0.022 0.000 0.274 222 E C -1.802 174.971 176.600 0.289 0.000 0.977 222 E CA -1.061 55.447 56.400 0.181 0.000 0.827 222 E CB 2.136 31.914 29.700 0.130 0.000 1.130 222 E HN 0.669 nan 8.360 nan 0.000 0.394 223 V N 4.517 124.547 119.914 0.194 0.000 2.376 223 V HA 0.356 4.462 4.120 -0.022 0.000 0.287 223 V C -0.142 176.042 176.094 0.151 0.000 1.015 223 V CA -0.754 61.652 62.300 0.176 0.000 0.834 223 V CB 1.154 33.001 31.823 0.041 0.000 1.001 223 V HN 0.677 nan 8.190 nan 0.000 0.428 224 K N 2.773 123.252 120.400 0.132 0.000 2.380 224 K HA 0.676 4.983 4.320 -0.022 0.000 0.243 224 K C -0.366 176.288 176.600 0.090 0.000 1.071 224 K CA -0.961 55.384 56.287 0.097 0.000 0.942 224 K CB 1.753 34.301 32.500 0.080 0.000 1.324 224 K HN 0.816 nan 8.250 nan 0.000 0.517 225 E N 0.225 120.468 120.200 0.072 0.000 2.212 225 E HA 0.131 4.467 4.350 -0.022 0.000 0.270 225 E C -1.015 175.640 176.600 0.092 0.000 0.956 225 E CA -0.871 55.579 56.400 0.084 0.000 0.825 225 E CB 0.745 30.486 29.700 0.067 0.000 1.167 225 E HN 0.391 nan 8.360 nan 0.000 0.400 226 Y N 1.684 121.989 120.300 0.009 0.000 2.916 226 Y HA 0.016 4.553 4.550 -0.022 0.000 0.344 226 Y C -0.920 174.972 175.900 -0.014 0.000 1.282 226 Y CA 0.663 58.762 58.100 -0.001 0.000 1.604 226 Y CB 0.241 38.698 38.460 -0.004 0.000 1.207 226 Y HN 0.253 nan 8.280 nan 0.000 0.561 227 V N 9.030 128.642 119.914 -0.503 0.000 2.524 227 V HA 0.205 4.312 4.120 -0.022 0.000 0.297 227 V C -0.407 175.364 176.094 -0.539 0.000 1.035 227 V CA -0.968 61.118 62.300 -0.355 0.000 0.867 227 V CB 1.739 33.438 31.823 -0.206 0.000 1.004 227 V HN 0.740 nan 8.190 nan 0.000 0.426 228 L N 7.083 128.085 121.223 -0.369 0.000 2.999 228 L HA 0.476 4.803 4.340 -0.022 0.000 0.263 228 L C -1.859 174.899 176.870 -0.186 0.000 1.320 228 L CA -1.437 53.230 54.840 -0.288 0.000 0.913 228 L CB 1.145 43.148 42.059 -0.093 0.000 1.296 228 L HN 0.485 nan 8.230 nan 0.000 0.546 229 P HA -0.023 nan 4.420 nan 0.000 0.256 229 P C 0.990 178.159 177.300 -0.218 0.000 1.173 229 P CA 0.343 63.286 63.100 -0.261 0.000 0.768 229 P CB 0.959 32.471 31.700 -0.314 0.000 0.758 230 S N 3.437 119.041 115.700 -0.161 0.000 2.420 230 S HA -0.127 4.330 4.470 -0.022 0.000 0.237 230 S C 0.717 175.361 174.600 0.073 0.000 1.023 230 S CA 0.703 58.924 58.200 0.035 0.000 0.991 230 S CB -1.008 62.294 63.200 0.170 0.000 0.792 230 S HN 0.609 nan 8.310 nan 0.000 0.488 231 F N -0.771 119.044 119.950 -0.226 0.000 2.685 231 F HA 0.807 5.321 4.527 -0.022 0.000 0.315 231 F C -0.846 174.799 175.800 -0.259 0.000 1.126 231 F CA -1.643 56.126 58.000 -0.384 0.000 0.950 231 F CB 1.238 39.684 39.000 -0.923 0.000 1.360 231 F HN -0.032 nan 8.300 nan 0.000 0.469 232 E N 1.134 121.375 120.200 0.068 0.000 2.179 232 E HA 0.675 5.011 4.350 -0.022 0.000 0.275 232 E C -1.901 174.749 176.600 0.083 0.000 0.945 232 E CA -0.986 55.407 56.400 -0.011 0.000 0.792 232 E CB 2.104 31.783 29.700 -0.035 0.000 1.125 232 E HN 0.646 nan 8.360 nan 0.000 0.397 233 V N 4.486 124.407 119.914 0.011 0.000 2.407 233 V HA 0.265 4.372 4.120 -0.022 0.000 0.291 233 V C -0.598 175.502 176.094 0.010 0.000 1.018 233 V CA -0.761 61.565 62.300 0.043 0.000 0.842 233 V CB 1.457 33.308 31.823 0.047 0.000 0.996 233 V HN 0.738 nan 8.190 nan 0.000 0.426 234 Q N 4.203 124.012 119.800 0.014 0.000 2.282 234 Q HA 0.733 5.060 4.340 -0.022 0.000 0.260 234 Q C -1.254 174.752 176.000 0.010 0.000 0.964 234 Q CA -0.471 55.338 55.803 0.009 0.000 0.880 234 Q CB 2.639 31.382 28.738 0.008 0.000 1.286 234 Q HN 0.623 nan 8.270 nan 0.000 0.445 235 L N 2.627 123.857 121.223 0.012 0.000 2.376 235 L HA 0.511 4.837 4.340 -0.022 0.000 0.275 235 L C -0.700 176.181 176.870 0.020 0.000 0.987 235 L CA -0.499 54.350 54.840 0.015 0.000 0.828 235 L CB 1.511 43.579 42.059 0.016 0.000 1.249 235 L HN 0.482 nan 8.230 nan 0.000 0.409 236 E N 4.214 124.423 120.200 0.016 0.000 2.331 236 E HA 0.444 4.780 4.350 -0.022 0.000 0.275 236 E C -2.495 174.108 176.600 0.006 0.000 0.895 236 E CA -1.619 54.788 56.400 0.011 0.000 0.753 236 E CB 2.777 32.479 29.700 0.002 0.000 1.216 236 E HN 0.160 nan 8.360 nan 0.000 0.434 237 P HA 0.021 nan 4.420 nan 0.000 0.306 237 P C 0.258 177.532 177.300 -0.042 0.000 1.301 237 P CA 0.321 63.407 63.100 -0.023 0.000 0.744 237 P CB 0.739 32.415 31.700 -0.039 0.000 1.400 238 E N -2.080 118.080 120.200 -0.066 0.000 2.526 238 E HA 0.135 4.471 4.350 -0.022 0.000 0.208 238 E C 0.310 176.847 176.600 -0.105 0.000 0.997 238 E CA -0.121 56.240 56.400 -0.066 0.000 0.961 238 E CB 0.404 30.072 29.700 -0.052 0.000 1.030 238 E HN 0.258 nan 8.360 nan 0.000 0.483 239 E N 0.332 120.434 120.200 -0.164 0.000 2.334 239 E HA 0.231 4.567 4.350 -0.022 0.000 0.200 239 E C -0.221 176.188 176.600 -0.318 0.000 0.855 239 E CA -0.541 55.659 56.400 -0.334 0.000 0.882 239 E CB 0.632 30.021 29.700 -0.518 0.000 1.993 239 E HN -0.036 nan 8.360 nan 0.000 0.412 240 K N -0.195 119.888 120.400 -0.527 0.000 2.517 240 K HA 0.199 4.506 4.320 -0.022 0.000 0.210 240 K C -1.024 175.541 176.600 -0.058 0.000 1.166 240 K CA -0.030 56.127 56.287 -0.217 0.000 1.030 240 K CB 0.252 32.691 32.500 -0.101 0.000 0.974 240 K HN 0.336 nan 8.250 nan 0.000 0.585 241 F N -1.995 117.998 119.950 0.071 0.000 2.773 241 F HA 0.551 5.064 4.527 -0.022 0.000 0.314 241 F C -1.901 173.997 175.800 0.163 0.000 1.160 241 F CA -1.839 56.215 58.000 0.090 0.000 0.920 241 F CB 0.461 39.491 39.000 0.050 0.000 1.323 241 F HN -0.181 nan 8.300 nan 0.000 0.457 242 Y N 2.484 122.992 120.300 0.346 0.000 2.361 242 Y HA 0.536 5.073 4.550 -0.022 0.000 0.337 242 Y C -1.501 174.535 175.900 0.226 0.000 0.965 242 Y CA -2.266 55.969 58.100 0.225 0.000 1.091 242 Y CB 1.201 39.691 38.460 0.050 0.000 1.182 242 Y HN 0.744 nan 8.280 nan 0.000 0.450 243 Y N 7.300 127.385 120.300 -0.357 0.000 2.393 243 Y HA 0.309 4.845 4.550 -0.022 0.000 0.338 243 Y C 0.906 176.229 175.900 -0.962 0.000 1.029 243 Y CA -1.125 56.687 58.100 -0.480 0.000 1.239 243 Y CB 0.463 38.789 38.460 -0.222 0.000 1.170 243 Y HN 0.789 nan 8.280 nan 0.000 0.515 244 I N 2.900 123.052 120.570 -0.697 0.000 2.354 244 I HA -0.370 3.786 4.170 -0.022 0.000 0.258 244 I C 0.197 175.808 176.117 -0.843 0.000 1.111 244 I CA 1.612 62.504 61.300 -0.680 0.000 1.390 244 I CB -0.237 37.617 38.000 -0.243 0.000 1.072 244 I HN 0.616 nan 8.210 nan 0.000 0.441 245 D N 1.292 120.778 120.400 -1.524 0.000 2.192 245 D HA 0.421 5.048 4.640 -0.022 0.000 0.246 245 D C -0.592 175.163 176.300 -0.907 0.000 1.042 245 D CA -0.123 53.273 54.000 -1.006 0.000 0.847 245 D CB 2.192 42.664 40.800 -0.546 0.000 1.186 245 D HN -0.002 nan 8.370 nan 0.000 0.461 246 D N 0.889 121.130 120.400 -0.266 0.000 2.712 246 D HA 0.028 4.655 4.640 -0.022 0.000 0.231 246 D C -2.209 174.106 176.300 0.024 0.000 1.105 246 D CA -0.555 53.425 54.000 -0.033 0.000 0.762 246 D CB 2.346 43.255 40.800 0.182 0.000 2.410 246 D HN 0.068 nan 8.370 nan 0.000 0.467 247 P HA 0.036 nan 4.420 nan 0.000 0.245 247 P C 0.523 177.816 177.300 -0.011 0.000 1.206 247 P CA 0.442 63.544 63.100 0.002 0.000 0.781 247 P CB 1.142 32.846 31.700 0.008 0.000 0.994 248 D N 0.250 120.649 120.400 -0.001 0.000 2.036 248 D HA 0.013 4.640 4.640 -0.022 0.000 0.236 248 D C 1.741 177.961 176.300 -0.132 0.000 0.976 248 D CA 2.234 56.209 54.000 -0.041 0.000 0.918 248 D CB -0.174 40.621 40.800 -0.009 0.000 1.094 248 D HN 0.216 nan 8.370 nan 0.000 0.459 249 G N -0.583 108.060 108.800 -0.261 0.000 2.163 249 G HA2 -0.178 3.769 3.960 -0.022 0.000 0.207 249 G HA3 -0.178 3.769 3.960 -0.022 0.000 0.207 249 G C 0.603 174.971 174.900 -0.887 0.000 2.263 249 G CA 0.254 45.029 45.100 -0.542 0.000 1.616 249 G HN 0.330 nan 8.290 nan 0.000 0.521 250 L N -0.342 120.554 121.223 -0.545 0.000 2.824 250 L HA 0.407 4.734 4.340 -0.022 0.000 0.284 250 L C 0.228 176.966 176.870 -0.219 0.000 1.031 250 L CA 0.359 54.924 54.840 -0.459 0.000 1.226 250 L CB 0.453 42.181 42.059 -0.552 0.000 2.283 250 L HN 0.274 nan 8.230 nan 0.000 0.569 251 K N 2.086 122.391 120.400 -0.157 0.000 4.814 251 K HA -0.147 4.160 4.320 -0.022 0.000 0.295 251 K C -0.541 176.039 176.600 -0.034 0.000 0.828 251 K CA -0.008 56.242 56.287 -0.062 0.000 0.895 251 K CB -0.957 31.510 32.500 -0.055 0.000 1.810 251 K HN 0.020 nan 8.250 nan 0.000 0.418 252 V N 2.394 122.322 119.914 0.022 0.000 2.686 252 V HA 0.131 4.238 4.120 -0.022 0.000 0.295 252 V C 0.766 176.875 176.094 0.025 0.000 1.057 252 V CA -0.689 61.636 62.300 0.041 0.000 1.012 252 V CB 1.451 33.350 31.823 0.128 0.000 1.006 252 V HN 0.452 nan 8.190 nan 0.000 0.477 253 N N 3.345 122.051 118.700 0.010 0.000 2.419 253 N HA 0.502 5.229 4.740 -0.022 0.000 0.277 253 N C -0.748 174.763 175.510 0.001 0.000 1.006 253 N CA -0.269 52.781 53.050 0.001 0.000 0.923 253 N CB 1.878 40.362 38.487 -0.005 0.000 1.140 253 N HN 0.501 nan 8.380 nan 0.000 0.488 254 I N 3.107 123.673 120.570 -0.006 0.000 2.336 254 I HA 0.425 4.582 4.170 -0.022 0.000 0.292 254 I C 0.065 176.175 176.117 -0.011 0.000 0.991 254 I CA -0.464 60.829 61.300 -0.011 0.000 1.227 254 I CB 1.014 39.000 38.000 -0.025 0.000 1.366 254 I HN 0.225 nan 8.210 nan 0.000 0.466 255 I N 5.804 126.371 120.570 -0.004 0.000 2.447 255 I HA 0.603 4.759 4.170 -0.022 0.000 0.287 255 I C -0.375 175.743 176.117 0.003 0.000 1.023 255 I CA -0.456 60.842 61.300 -0.005 0.000 1.083 255 I CB 1.999 39.999 38.000 -0.000 0.000 1.245 255 I HN 0.663 nan 8.210 nan 0.000 0.434 256 A N 7.198 130.012 122.820 -0.011 0.000 2.569 256 A HA 0.719 5.026 4.320 -0.022 0.000 0.282 256 A C -0.615 176.927 177.584 -0.071 0.000 1.165 256 A CA -0.669 51.368 52.037 -0.001 0.000 0.747 256 A CB 0.791 19.799 19.000 0.013 0.000 1.215 256 A HN 0.825 nan 8.150 nan 0.000 0.431 257 R N 1.068 121.550 120.500 -0.030 0.000 2.854 257 R HA 0.816 5.143 4.340 -0.022 0.000 0.271 257 R C -1.246 175.042 176.300 -0.019 0.000 0.994 257 R CA -0.714 55.368 56.100 -0.030 0.000 0.945 257 R CB 0.999 31.314 30.300 0.025 0.000 1.194 257 R HN 0.272 nan 8.270 nan 0.000 0.476 258 F N 0.951 120.915 119.950 0.024 0.000 2.490 258 F HA 0.114 4.628 4.527 -0.022 0.000 0.336 258 F C 1.628 177.426 175.800 -0.002 0.000 1.178 258 F CA -0.220 57.827 58.000 0.078 0.000 1.301 258 F CB 0.637 39.690 39.000 0.089 0.000 1.175 258 F HN 0.393 nan 8.300 nan 0.000 0.593 259 L N 2.261 123.554 121.223 0.117 0.000 2.700 259 L HA -0.151 4.175 4.340 -0.022 0.000 0.240 259 L C -0.178 176.409 176.870 -0.471 0.000 1.162 259 L CA 0.826 55.537 54.840 -0.215 0.000 0.874 259 L CB -0.630 41.221 42.059 -0.347 0.000 1.001 259 L HN 0.605 nan 8.230 nan 0.000 0.447 260 Y N -1.077 119.241 120.300 0.030 0.000 2.696 260 Y HA 0.314 4.850 4.550 -0.022 0.000 0.255 260 Y C 1.436 177.271 175.900 -0.109 0.000 1.103 260 Y CA -0.387 57.632 58.100 -0.136 0.000 1.126 260 Y CB 0.550 38.880 38.460 -0.216 0.000 1.197 260 Y HN 0.100 nan 8.280 nan 0.000 0.574 261 G N 0.288 109.144 108.800 0.093 0.000 2.187 261 G HA2 -0.290 3.657 3.960 -0.022 0.000 0.261 261 G HA3 -0.290 3.657 3.960 -0.022 0.000 0.261 261 G C 0.001 174.981 174.900 0.134 0.000 1.000 261 G CA 0.218 45.370 45.100 0.087 0.000 0.718 261 G HN 0.345 nan 8.290 nan 0.000 0.519 262 E N 0.614 120.938 120.200 0.208 0.000 2.003 262 E HA 0.259 4.595 4.350 -0.022 0.000 0.279 262 E C 0.582 177.335 176.600 0.254 0.000 1.132 262 E CA -0.361 56.146 56.400 0.178 0.000 0.888 262 E CB 0.818 30.534 29.700 0.026 0.000 1.056 262 E HN 0.439 nan 8.360 nan 0.000 0.399 263 Q N 1.899 121.785 119.800 0.143 0.000 2.262 263 Q HA -0.007 4.320 4.340 -0.022 0.000 0.298 263 Q C -0.508 175.544 176.000 0.088 0.000 1.083 263 Q CA 0.212 56.072 55.803 0.095 0.000 0.962 263 Q CB 0.487 29.254 28.738 0.049 0.000 1.104 263 Q HN 0.301 nan 8.270 nan 0.000 0.376 264 V N 4.127 124.037 119.914 -0.008 0.000 2.924 264 V HA 0.110 4.217 4.120 -0.022 0.000 0.305 264 V C 0.130 176.160 176.094 -0.108 0.000 1.073 264 V CA 0.350 62.563 62.300 -0.146 0.000 1.098 264 V CB 1.301 32.843 31.823 -0.468 0.000 1.000 264 V HN 0.829 nan 8.190 nan 0.000 0.484 265 D N 1.951 122.286 120.400 -0.109 0.000 2.411 265 D HA 0.473 5.100 4.640 -0.022 0.000 0.239 265 D C 0.024 176.277 176.300 -0.078 0.000 1.307 265 D CA 0.287 54.242 54.000 -0.074 0.000 0.930 265 D CB 1.244 42.024 40.800 -0.033 0.000 1.395 265 D HN 0.693 nan 8.370 nan 0.000 0.536 266 G N 0.433 109.173 108.800 -0.099 0.000 3.198 266 G HA2 0.632 4.579 3.960 -0.022 0.000 0.166 266 G HA3 0.632 4.579 3.960 -0.022 0.000 0.166 266 G C -0.621 174.223 174.900 -0.095 0.000 1.134 266 G CA -0.078 44.975 45.100 -0.078 0.000 0.941 266 G HN 0.294 nan 8.290 nan 0.000 0.639 267 T N -2.588 111.902 114.554 -0.107 0.000 2.916 267 T HA 0.776 5.113 4.350 -0.022 0.000 0.305 267 T C -0.880 173.661 174.700 -0.265 0.000 1.119 267 T CA 0.166 62.137 62.100 -0.214 0.000 1.008 267 T CB 1.826 70.522 68.868 -0.287 0.000 1.129 267 T HN 1.742 nan 8.240 nan 0.000 0.480 268 A N 2.181 124.783 122.820 -0.364 0.000 2.393 268 A HA 0.811 5.118 4.320 -0.022 0.000 0.306 268 A C -1.325 175.995 177.584 -0.439 0.000 1.050 268 A CA -0.890 50.983 52.037 -0.273 0.000 0.724 268 A CB 0.939 19.872 19.000 -0.111 0.000 1.248 268 A HN 0.741 nan 8.150 nan 0.000 0.424 269 F N 1.716 121.638 119.950 -0.047 0.000 2.411 269 F HA 0.567 5.081 4.527 -0.022 0.000 0.352 269 F C 0.036 175.769 175.800 -0.111 0.000 1.123 269 F CA -0.506 57.452 58.000 -0.070 0.000 1.044 269 F CB 2.125 41.094 39.000 -0.052 0.000 1.135 269 F HN 0.297 nan 8.300 nan 0.000 0.461 270 V N 4.777 124.667 119.914 -0.041 0.000 2.735 270 V HA 0.581 4.688 4.120 -0.022 0.000 0.310 270 V C -0.286 175.602 176.094 -0.342 0.000 1.061 270 V CA -0.932 61.243 62.300 -0.207 0.000 0.913 270 V CB 2.328 33.948 31.823 -0.339 0.000 1.005 270 V HN 0.534 nan 8.190 nan 0.000 0.428 271 I N 3.015 123.355 120.570 -0.384 0.000 2.534 271 I HA 0.516 4.673 4.170 -0.022 0.000 0.288 271 I C -0.644 175.202 176.117 -0.450 0.000 1.077 271 I CA -0.269 60.803 61.300 -0.381 0.000 1.051 271 I CB 1.671 39.578 38.000 -0.154 0.000 1.234 271 I HN 0.407 nan 8.210 nan 0.000 0.425 272 F N 2.885 122.736 119.950 -0.164 0.000 2.123 272 F HA 0.829 5.343 4.527 -0.022 0.000 0.257 272 F C 1.214 176.738 175.800 -0.459 0.000 0.967 272 F CA -0.397 57.428 58.000 -0.292 0.000 1.152 272 F CB 0.285 39.166 39.000 -0.199 0.000 1.869 272 F HN 0.535 nan 8.300 nan 0.000 0.562 273 G N -0.660 107.985 108.800 -0.258 0.000 2.158 273 G HA2 0.362 4.309 3.960 -0.022 0.000 0.238 273 G HA3 0.362 4.309 3.960 -0.022 0.000 0.238 273 G C -1.841 173.039 174.900 -0.033 0.000 1.723 273 G CA -1.102 43.833 45.100 -0.275 0.000 0.911 273 G HN 0.446 nan 8.290 nan 0.000 0.741 274 V N 1.240 121.246 119.914 0.153 0.000 2.924 274 V HA 0.590 4.697 4.120 -0.022 0.000 0.305 274 V C 0.654 176.921 176.094 0.288 0.000 1.073 274 V CA 0.124 62.542 62.300 0.197 0.000 1.098 274 V CB 1.655 33.552 31.823 0.123 0.000 1.000 274 V HN 0.997 nan 8.190 nan 0.000 0.484 275 Q N 1.219 121.147 119.800 0.213 0.000 2.304 275 Q HA 0.330 4.657 4.340 -0.022 0.000 0.270 275 Q C -0.861 175.185 176.000 0.076 0.000 1.035 275 Q CA -0.572 55.313 55.803 0.136 0.000 0.781 275 Q CB 1.685 30.494 28.738 0.119 0.000 1.261 275 Q HN 0.687 nan 8.270 nan 0.000 0.444 276 D N 3.426 123.854 120.400 0.047 0.000 2.504 276 D HA 0.199 4.826 4.640 -0.022 0.000 0.243 276 D C 1.047 177.357 176.300 0.016 0.000 1.203 276 D CA 1.228 55.246 54.000 0.031 0.000 0.847 276 D CB 0.071 40.885 40.800 0.025 0.000 0.973 276 D HN 0.887 nan 8.370 nan 0.000 0.490 277 G N 0.792 109.602 108.800 0.016 0.000 3.329 277 G HA2 -0.295 3.652 3.960 -0.022 0.000 0.220 277 G HA3 -0.295 3.652 3.960 -0.022 0.000 0.220 277 G C 0.741 175.638 174.900 -0.006 0.000 1.358 277 G CA 0.279 45.383 45.100 0.006 0.000 0.856 277 G HN 0.428 nan 8.290 nan 0.000 0.551 278 D N 0.652 121.046 120.400 -0.011 0.000 2.672 278 D HA 0.196 4.823 4.640 -0.022 0.000 0.287 278 D C 0.307 176.588 176.300 -0.032 0.000 1.559 278 D CA -0.089 53.896 54.000 -0.026 0.000 0.796 278 D CB 0.502 41.289 40.800 -0.021 0.000 1.181 278 D HN 0.549 nan 8.370 nan 0.000 0.458 279 R N 0.437 120.923 120.500 -0.023 0.000 2.686 279 R HA 0.580 4.907 4.340 -0.022 0.000 0.286 279 R C -0.220 176.068 176.300 -0.019 0.000 0.969 279 R CA -0.743 55.345 56.100 -0.019 0.000 0.898 279 R CB 2.481 32.784 30.300 0.005 0.000 1.183 279 R HN -0.214 nan 8.270 nan 0.000 0.456 280 R N 2.043 122.528 120.500 -0.025 0.000 2.387 280 R HA 0.454 4.781 4.340 -0.022 0.000 0.314 280 R C -0.165 176.205 176.300 0.117 0.000 0.958 280 R CA -0.492 55.617 56.100 0.016 0.000 0.846 280 R CB 1.356 31.572 30.300 -0.140 0.000 1.147 280 R HN 0.534 nan 8.270 nan 0.000 0.447 281 I N 2.764 123.456 120.570 0.202 0.000 2.779 281 I HA 0.050 4.207 4.170 -0.022 0.000 0.294 281 I C 0.375 176.591 176.117 0.165 0.000 1.241 281 I CA -0.373 61.018 61.300 0.151 0.000 1.069 281 I CB 1.042 39.110 38.000 0.113 0.000 1.772 281 I HN 0.592 nan 8.210 nan 0.000 0.582 282 S N 4.594 120.403 115.700 0.182 0.000 3.159 282 S HA -0.006 4.451 4.470 -0.022 0.000 0.375 282 S C 0.292 174.928 174.600 0.061 0.000 1.068 282 S CA -0.241 58.032 58.200 0.122 0.000 1.678 282 S CB -0.636 62.629 63.200 0.109 0.000 1.160 282 S HN 0.472 nan 8.310 nan 0.000 0.605 283 L N 4.337 125.594 121.223 0.058 0.000 2.774 283 L HA -0.017 4.310 4.340 -0.022 0.000 0.279 283 L C 2.299 179.193 176.870 0.040 0.000 1.137 283 L CA 0.045 54.923 54.840 0.064 0.000 1.021 283 L CB -1.031 41.083 42.059 0.091 0.000 1.366 283 L HN 0.969 nan 8.230 nan 0.000 0.471 284 T N -1.355 113.182 114.554 -0.028 0.000 2.653 284 T HA -0.307 4.030 4.350 -0.022 0.000 0.268 284 T C 1.657 176.300 174.700 -0.096 0.000 1.035 284 T CA 1.612 63.651 62.100 -0.101 0.000 1.154 284 T CB -0.357 68.388 68.868 -0.205 0.000 0.862 284 T HN 0.581 nan 8.240 nan 0.000 0.441 285 H N 1.420 120.518 119.070 0.046 0.000 2.421 285 H HA 0.020 4.563 4.556 -0.022 0.000 0.298 285 H C 2.886 178.253 175.328 0.065 0.000 1.087 285 H CA 1.251 57.327 56.048 0.047 0.000 1.330 285 H CB -0.731 29.055 29.762 0.041 0.000 1.388 285 H HN 0.448 nan 8.280 nan 0.000 0.526 286 S N 1.252 117.075 115.700 0.205 0.000 2.426 286 S HA -0.221 4.236 4.470 -0.022 0.000 0.259 286 S C 1.349 176.036 174.600 0.145 0.000 1.096 286 S CA 1.493 59.846 58.200 0.254 0.000 1.219 286 S CB -1.112 62.261 63.200 0.289 0.000 1.124 286 S HN 0.482 nan 8.310 nan 0.000 0.436 287 L N 1.651 122.881 121.223 0.012 0.000 2.525 287 L HA 0.349 4.676 4.340 -0.022 0.000 0.278 287 L C -0.314 176.566 176.870 0.017 0.000 1.218 287 L CA -0.199 54.611 54.840 -0.051 0.000 0.878 287 L CB -0.159 41.882 42.059 -0.031 0.000 1.127 287 L HN 0.127 nan 8.230 nan 0.000 0.492 288 T N 1.077 115.624 114.554 -0.010 0.000 2.900 288 T HA 0.402 4.739 4.350 -0.022 0.000 0.303 288 T C -0.497 174.190 174.700 -0.022 0.000 1.142 288 T CA -0.902 61.206 62.100 0.014 0.000 1.007 288 T CB 1.775 70.657 68.868 0.023 0.000 1.156 288 T HN 0.730 nan 8.240 nan 0.000 0.490 289 R N 1.946 122.426 120.500 -0.033 0.000 2.565 289 R HA 0.521 4.847 4.340 -0.022 0.000 0.286 289 R C -0.749 175.432 176.300 -0.197 0.000 1.256 289 R CA -0.330 55.663 56.100 -0.178 0.000 1.238 289 R CB -0.358 29.853 30.300 -0.148 0.000 1.153 289 R HN 0.536 nan 8.270 nan 0.000 0.553 290 V N 6.164 125.962 119.914 -0.194 0.000 2.649 290 V HA 0.313 4.420 4.120 -0.022 0.000 0.292 290 V C -1.704 174.278 176.094 -0.185 0.000 1.055 290 V CA -1.466 60.748 62.300 -0.143 0.000 1.023 290 V CB 1.230 32.992 31.823 -0.102 0.000 0.992 290 V HN 0.728 nan 8.190 nan 0.000 0.480 291 P HA 0.467 nan 4.420 nan 0.000 0.290 291 P C -0.968 176.266 177.300 -0.109 0.000 1.275 291 P CA -0.465 62.553 63.100 -0.137 0.000 0.841 291 P CB 1.618 33.259 31.700 -0.099 0.000 1.042 292 I N 3.136 123.641 120.570 -0.108 0.000 2.330 292 I HA 0.272 4.429 4.170 -0.022 0.000 0.289 292 I C 0.202 176.275 176.117 -0.072 0.000 1.001 292 I CA -0.440 60.809 61.300 -0.086 0.000 1.193 292 I CB 0.837 38.782 38.000 -0.092 0.000 1.345 292 I HN 0.179 nan 8.210 nan 0.000 0.461 293 N N 6.537 125.204 118.700 -0.055 0.000 2.442 293 N HA 0.154 4.880 4.740 -0.022 0.000 0.274 293 N C -0.453 175.037 175.510 -0.034 0.000 1.002 293 N CA -0.253 52.772 53.050 -0.043 0.000 0.910 293 N CB 1.896 40.362 38.487 -0.036 0.000 1.244 293 N HN 0.598 nan 8.380 nan 0.000 0.492 294 D N 1.730 122.111 120.400 -0.031 0.000 2.981 294 D HA -0.148 4.479 4.640 -0.022 0.000 0.223 294 D C 0.637 176.924 176.300 -0.022 0.000 1.151 294 D CA 1.429 55.418 54.000 -0.019 0.000 0.827 294 D CB -0.871 39.923 40.800 -0.011 0.000 1.101 294 D HN 1.038 nan 8.370 nan 0.000 0.426 295 G N 0.151 108.926 108.800 -0.041 0.000 2.160 295 G HA2 -0.316 3.631 3.960 -0.022 0.000 0.244 295 G HA3 -0.316 3.631 3.960 -0.022 0.000 0.244 295 G C -0.023 174.858 174.900 -0.032 0.000 1.022 295 G CA 0.490 45.564 45.100 -0.043 0.000 0.741 295 G HN 0.563 nan 8.290 nan 0.000 0.508 296 N N -0.816 117.863 118.700 -0.034 0.000 2.264 296 N HA 0.650 5.377 4.740 -0.022 0.000 0.288 296 N C 0.056 175.545 175.510 -0.035 0.000 1.094 296 N CA -0.097 52.936 53.050 -0.028 0.000 0.817 296 N CB 1.919 40.394 38.487 -0.020 0.000 1.604 296 N HN 0.517 nan 8.380 nan 0.000 0.473 297 G N 0.442 109.223 108.800 -0.032 0.000 2.721 297 G HA2 0.470 4.416 3.960 -0.022 0.000 0.296 297 G HA3 0.470 4.416 3.960 -0.022 0.000 0.296 297 G C -1.773 173.111 174.900 -0.026 0.000 1.383 297 G CA -0.232 44.845 45.100 -0.038 0.000 0.788 297 G HN 0.447 nan 8.290 nan 0.000 0.500 298 E N -1.100 119.084 120.200 -0.025 0.000 2.311 298 E HA 0.514 4.851 4.350 -0.022 0.000 0.281 298 E C -1.028 175.576 176.600 0.007 0.000 0.905 298 E CA -0.807 55.588 56.400 -0.007 0.000 0.778 298 E CB 1.992 31.687 29.700 -0.008 0.000 1.240 298 E HN 0.732 nan 8.360 nan 0.000 0.410 299 A N 5.895 128.744 122.820 0.048 0.000 3.150 299 A HA 0.384 4.691 4.320 -0.022 0.000 0.328 299 A C -0.041 177.698 177.584 0.257 0.000 1.104 299 A CA -0.458 51.654 52.037 0.124 0.000 0.937 299 A CB -0.464 18.584 19.000 0.079 0.000 1.073 299 A HN 0.530 nan 8.150 nan 0.000 0.497 300 I N 0.943 121.581 120.570 0.114 0.000 2.692 300 I HA 0.057 4.214 4.170 -0.022 0.000 0.284 300 I C 0.328 176.465 176.117 0.033 0.000 1.159 300 I CA 0.146 61.460 61.300 0.024 0.000 1.423 300 I CB 0.802 38.794 38.000 -0.013 0.000 1.380 300 I HN 0.347 nan 8.210 nan 0.000 0.580 301 L N 6.804 127.904 121.223 -0.204 0.000 2.480 301 L HA 0.353 4.680 4.340 -0.022 0.000 0.253 301 L C -0.016 176.682 176.870 -0.286 0.000 1.324 301 L CA -0.516 54.135 54.840 -0.314 0.000 0.916 301 L CB 0.229 41.629 42.059 -1.100 0.000 1.160 301 L HN 0.712 nan 8.230 nan 0.000 0.503 302 K N 1.558 121.871 120.400 -0.145 0.000 2.256 302 K HA -0.035 4.272 4.320 -0.022 0.000 0.255 302 K C 0.768 177.302 176.600 -0.111 0.000 1.012 302 K CA 0.207 56.425 56.287 -0.114 0.000 0.841 302 K CB 0.678 33.142 32.500 -0.060 0.000 1.025 302 K HN 0.463 nan 8.250 nan 0.000 0.527 303 R N 0.904 121.366 120.500 -0.064 0.000 2.310 303 R HA -0.051 4.276 4.340 -0.022 0.000 0.202 303 R C 1.843 178.123 176.300 -0.033 0.000 0.933 303 R CA 0.355 56.434 56.100 -0.034 0.000 1.054 303 R CB 0.032 30.329 30.300 -0.006 0.000 0.985 303 R HN 0.541 nan 8.270 nan 0.000 0.489 304 Q N 0.175 119.950 119.800 -0.042 0.000 2.135 304 Q HA -0.114 4.213 4.340 -0.022 0.000 0.204 304 Q C 1.405 177.372 176.000 -0.054 0.000 0.981 304 Q CA 1.308 57.080 55.803 -0.051 0.000 0.856 304 Q CB 0.123 28.826 28.738 -0.059 0.000 0.902 304 Q HN 0.151 nan 8.270 nan 0.000 0.425 305 V N 0.460 120.356 119.914 -0.029 0.000 3.577 305 V HA 0.011 4.118 4.120 -0.022 0.000 0.294 305 V C 1.386 177.497 176.094 0.028 0.000 1.317 305 V CA 0.577 62.889 62.300 0.021 0.000 1.169 305 V CB -0.132 31.743 31.823 0.086 0.000 1.011 305 V HN 0.306 nan 8.190 nan 0.000 0.426 306 L N -1.324 119.899 121.223 0.001 0.000 2.526 306 L HA 0.186 4.513 4.340 -0.022 0.000 0.210 306 L C 2.016 178.893 176.870 0.012 0.000 1.048 306 L CA 0.372 55.219 54.840 0.012 0.000 0.852 306 L CB -0.035 42.031 42.059 0.011 0.000 1.128 306 L HN 0.290 nan 8.230 nan 0.000 0.482 307 L N 0.743 121.965 121.223 -0.002 0.000 2.349 307 L HA -0.170 4.157 4.340 -0.022 0.000 0.220 307 L C 1.615 178.487 176.870 0.002 0.000 1.130 307 L CA 1.757 56.594 54.840 -0.005 0.000 0.791 307 L CB -0.576 41.473 42.059 -0.016 0.000 0.918 307 L HN 0.261 nan 8.230 nan 0.000 0.444 308 N N -1.222 117.484 118.700 0.009 0.000 2.454 308 N HA 0.139 4.866 4.740 -0.022 0.000 0.177 308 N C 0.826 176.370 175.510 0.057 0.000 1.049 308 N CA 0.630 53.699 53.050 0.032 0.000 0.887 308 N CB -0.168 38.340 38.487 0.035 0.000 1.095 308 N HN 0.248 nan 8.380 nan 0.000 0.446 309 G N 0.769 109.602 108.800 0.056 0.000 2.241 309 G HA2 -0.069 3.878 3.960 -0.022 0.000 0.235 309 G HA3 -0.069 3.878 3.960 -0.022 0.000 0.235 309 G C 0.217 175.148 174.900 0.052 0.000 1.127 309 G CA -0.201 44.935 45.100 0.060 0.000 0.867 309 G HN 0.111 nan 8.290 nan 0.000 0.473 310 V N 3.369 123.316 119.914 0.054 0.000 2.954 310 V HA -0.153 3.954 4.120 -0.022 0.000 0.254 310 V C 1.336 177.451 176.094 0.036 0.000 0.947 310 V CA 1.136 63.463 62.300 0.044 0.000 1.154 310 V CB -0.953 30.897 31.823 0.045 0.000 0.870 310 V HN 0.868 nan 8.190 nan 0.000 0.470 311 Q N 6.518 126.337 119.800 0.031 0.000 2.337 311 Q HA 0.152 4.479 4.340 -0.022 0.000 0.270 311 Q C -1.610 174.402 176.000 0.019 0.000 1.002 311 Q CA -0.813 55.004 55.803 0.023 0.000 0.888 311 Q CB 1.330 30.080 28.738 0.019 0.000 1.222 311 Q HN 0.547 nan 8.270 nan 0.000 0.400 312 P HA 0.222 nan 4.420 nan 0.000 0.185 312 P C -1.124 176.182 177.300 0.010 0.000 0.952 312 P CA 0.035 63.143 63.100 0.013 0.000 0.996 312 P CB 0.690 32.399 31.700 0.014 0.000 0.763 313 S N -2.271 113.434 115.700 0.009 0.000 2.611 313 S HA 0.427 4.884 4.470 -0.022 0.000 0.268 313 S C 0.477 175.079 174.600 0.004 0.000 1.156 313 S CA -0.801 57.403 58.200 0.006 0.000 0.817 313 S CB 1.351 64.554 63.200 0.005 0.000 1.122 313 S HN -0.204 nan 8.310 nan 0.000 0.466 314 R N 0.365 120.866 120.500 0.002 0.000 2.115 314 R HA 0.171 4.498 4.340 -0.022 0.000 0.226 314 R C 2.108 178.406 176.300 -0.003 0.000 1.100 314 R CA 1.668 57.767 56.100 -0.002 0.000 0.980 314 R CB -1.459 28.840 30.300 -0.002 0.000 0.875 314 R HN 0.776 nan 8.270 nan 0.000 0.445 315 A N 1.797 124.617 122.820 0.000 0.000 1.884 315 A HA -0.086 4.221 4.320 -0.022 0.000 0.212 315 A C 1.510 179.094 177.584 -0.000 0.000 1.265 315 A CA 1.089 53.127 52.037 0.001 0.000 0.626 315 A CB -0.442 18.560 19.000 0.003 0.000 0.943 315 A HN 0.330 nan 8.150 nan 0.000 0.466 316 D N 0.305 120.705 120.400 0.001 0.000 2.348 316 D HA 0.246 4.873 4.640 -0.022 0.000 0.216 316 D C 1.089 177.391 176.300 0.002 0.000 0.970 316 D CA 0.767 54.767 54.000 0.001 0.000 0.889 316 D CB -0.471 40.330 40.800 0.003 0.000 0.912 316 D HN 0.564 nan 8.370 nan 0.000 0.524 317 A N 0.733 123.554 122.820 0.003 0.000 2.536 317 A HA -0.270 4.036 4.320 -0.022 0.000 0.324 317 A C 1.069 178.661 177.584 0.012 0.000 1.490 317 A CA 1.031 53.071 52.037 0.005 0.000 1.018 317 A CB -2.048 16.951 19.000 -0.002 0.000 0.933 317 A HN 0.579 nan 8.150 nan 0.000 0.409 318 L N -4.120 117.111 121.223 0.013 0.000 3.660 318 L HA -0.303 4.024 4.340 -0.022 0.000 0.440 318 L C 1.505 178.389 176.870 0.022 0.000 1.262 318 L CA 0.300 55.151 54.840 0.019 0.000 0.837 318 L CB -2.204 39.870 42.059 0.025 0.000 1.689 318 L HN 0.320 nan 8.230 nan 0.000 0.890 319 V N -0.171 119.751 119.914 0.014 0.000 2.343 319 V HA -0.220 3.887 4.120 -0.022 0.000 0.247 319 V C 2.436 178.543 176.094 0.020 0.000 1.051 319 V CA 2.385 64.693 62.300 0.014 0.000 1.036 319 V CB -0.497 31.325 31.823 -0.002 0.000 0.654 319 V HN 0.784 nan 8.190 nan 0.000 0.451 320 G N 0.059 108.868 108.800 0.014 0.000 2.657 320 G HA2 -0.183 3.764 3.960 -0.022 0.000 0.210 320 G HA3 -0.183 3.764 3.960 -0.022 0.000 0.210 320 G C 0.615 175.532 174.900 0.028 0.000 1.145 320 G CA 0.361 45.470 45.100 0.015 0.000 0.776 320 G HN 0.467 nan 8.290 nan 0.000 0.540 321 K N 0.370 120.795 120.400 0.041 0.000 2.156 321 K HA 0.462 4.769 4.320 -0.022 0.000 0.254 321 K C -0.178 176.470 176.600 0.080 0.000 0.950 321 K CA -0.496 55.826 56.287 0.057 0.000 0.849 321 K CB 1.712 34.248 32.500 0.059 0.000 1.100 321 K HN 0.141 nan 8.250 nan 0.000 0.434 322 S N 2.017 117.774 115.700 0.095 0.000 2.525 322 S HA 0.493 4.950 4.470 -0.022 0.000 0.290 322 S C 0.225 174.923 174.600 0.164 0.000 1.152 322 S CA -0.924 57.349 58.200 0.122 0.000 1.072 322 S CB 0.717 63.985 63.200 0.114 0.000 1.027 322 S HN 0.419 nan 8.310 nan 0.000 0.500 323 I N 2.027 122.691 120.570 0.157 0.000 2.834 323 I HA 0.427 4.584 4.170 -0.022 0.000 0.305 323 I C -0.598 175.655 176.117 0.226 0.000 1.008 323 I CA -0.953 60.439 61.300 0.152 0.000 1.273 323 I CB 0.892 38.927 38.000 0.059 0.000 1.432 323 I HN 0.892 nan 8.210 nan 0.000 0.557 324 Y N 1.716 122.074 120.300 0.097 0.000 2.441 324 Y HA 0.764 5.301 4.550 -0.022 0.000 0.334 324 Y C -1.665 174.307 175.900 0.120 0.000 1.061 324 Y CA -1.067 57.087 58.100 0.089 0.000 1.032 324 Y CB 0.926 39.424 38.460 0.063 0.000 1.266 324 Y HN 0.154 nan 8.280 nan 0.000 0.441 325 V N 3.557 123.480 119.914 0.016 0.000 2.709 325 V HA 0.823 4.930 4.120 -0.022 0.000 0.308 325 V C -0.731 175.362 176.094 -0.003 0.000 1.062 325 V CA -0.369 61.898 62.300 -0.055 0.000 0.901 325 V CB 1.916 33.800 31.823 0.102 0.000 1.003 325 V HN 1.027 nan 8.190 nan 0.000 0.425 326 S N 2.305 117.967 115.700 -0.062 0.000 2.564 326 S HA 1.002 5.459 4.470 -0.022 0.000 0.274 326 S C -0.662 173.898 174.600 -0.068 0.000 1.124 326 S CA -0.220 57.972 58.200 -0.014 0.000 0.869 326 S CB 2.361 65.600 63.200 0.065 0.000 1.105 326 S HN 1.669 nan 8.310 nan 0.000 0.472 327 A N 1.173 123.972 122.820 -0.035 0.000 2.588 327 A HA 0.972 5.279 4.320 -0.022 0.000 0.290 327 A C -0.511 177.083 177.584 0.018 0.000 1.136 327 A CA -0.716 51.308 52.037 -0.021 0.000 0.681 327 A CB 1.129 20.101 19.000 -0.047 0.000 1.282 327 A HN 1.486 nan 8.150 nan 0.000 0.421 328 T N -1.541 113.054 114.554 0.069 0.000 2.916 328 T HA 0.734 5.070 4.350 -0.022 0.000 0.292 328 T C -0.985 173.806 174.700 0.152 0.000 1.055 328 T CA -0.732 61.419 62.100 0.084 0.000 1.009 328 T CB 1.555 70.469 68.868 0.077 0.000 1.118 328 T HN 1.039 nan 8.240 nan 0.000 0.497 329 V N 2.393 122.397 119.914 0.151 0.000 2.577 329 V HA 0.533 4.639 4.120 -0.022 0.000 0.303 329 V C -0.395 175.863 176.094 0.274 0.000 1.042 329 V CA -0.979 61.444 62.300 0.206 0.000 0.872 329 V CB 1.460 33.435 31.823 0.254 0.000 0.998 329 V HN 1.004 nan 8.190 nan 0.000 0.423 330 I N 3.183 123.889 120.570 0.228 0.000 2.382 330 I HA 0.612 4.769 4.170 -0.022 0.000 0.286 330 I C -0.306 175.882 176.117 0.119 0.000 1.002 330 I CA -0.619 60.806 61.300 0.209 0.000 1.135 330 I CB 1.268 39.395 38.000 0.211 0.000 1.288 330 I HN 0.404 nan 8.210 nan 0.000 0.448 331 L N 5.289 126.572 121.223 0.100 0.000 2.514 331 L HA 0.021 4.347 4.340 -0.022 0.000 0.280 331 L C 1.732 178.618 176.870 0.028 0.000 1.223 331 L CA 0.453 55.291 54.840 -0.003 0.000 0.864 331 L CB 0.396 42.458 42.059 0.005 0.000 1.118 331 L HN 0.810 nan 8.230 nan 0.000 0.494 332 Q N 1.519 121.320 119.800 0.001 0.000 2.230 332 Q HA -0.168 4.158 4.340 -0.022 0.000 0.202 332 Q C 2.050 178.061 176.000 0.018 0.000 0.963 332 Q CA 1.456 57.265 55.803 0.009 0.000 0.866 332 Q CB 0.207 28.940 28.738 -0.008 0.000 0.931 332 Q HN 0.929 nan 8.270 nan 0.000 0.452 333 S N -1.557 114.157 115.700 0.024 0.000 2.399 333 S HA -0.056 4.400 4.470 -0.022 0.000 0.231 333 S C 1.504 176.123 174.600 0.033 0.000 1.022 333 S CA 1.276 59.495 58.200 0.031 0.000 0.983 333 S CB 0.109 63.339 63.200 0.051 0.000 0.803 333 S HN 0.485 nan 8.310 nan 0.000 0.480 334 G N -1.694 107.134 108.800 0.047 0.000 2.818 334 G HA2 0.385 4.331 3.960 -0.022 0.000 0.170 334 G HA3 0.385 4.331 3.960 -0.022 0.000 0.170 334 G C 0.232 175.154 174.900 0.037 0.000 1.345 334 G CA 0.270 45.390 45.100 0.033 0.000 0.861 334 G HN 0.824 nan 8.290 nan 0.000 0.936 335 S N 1.260 117.000 115.700 0.066 0.000 3.807 335 S HA -0.113 4.343 4.470 -0.022 0.000 0.304 335 S C -0.633 174.017 174.600 0.083 0.000 1.152 335 S CA 0.645 58.890 58.200 0.075 0.000 0.852 335 S CB -1.665 61.567 63.200 0.053 0.000 0.924 335 S HN 0.967 nan 8.310 nan 0.000 0.545 336 D N 0.940 121.410 120.400 0.117 0.000 2.256 336 D HA 0.652 5.279 4.640 -0.022 0.000 0.246 336 D C 0.502 176.890 176.300 0.146 0.000 1.042 336 D CA -0.935 53.131 54.000 0.110 0.000 0.841 336 D CB 0.842 41.709 40.800 0.112 0.000 1.223 336 D HN 0.517 nan 8.370 nan 0.000 0.470 337 M N -0.244 119.399 119.600 0.070 0.000 2.792 337 M HA 0.809 5.276 4.480 -0.022 0.000 0.294 337 M C -1.082 175.114 176.300 -0.173 0.000 1.215 337 M CA -1.073 54.245 55.300 0.030 0.000 0.883 337 M CB 1.829 34.456 32.600 0.046 0.000 1.620 337 M HN 0.107 nan 8.290 nan 0.000 0.511 338 V N 0.815 120.586 119.914 -0.238 0.000 2.777 338 V HA 0.339 4.446 4.120 -0.022 0.000 0.306 338 V C -1.163 174.830 176.094 -0.168 0.000 1.112 338 V CA -0.705 61.370 62.300 -0.376 0.000 0.917 338 V CB 2.309 33.606 31.823 -0.877 0.000 1.018 338 V HN 0.987 nan 8.190 nan 0.000 0.426 339 E N 3.982 124.105 120.200 -0.128 0.000 2.191 339 E HA 0.893 5.230 4.350 -0.022 0.000 0.274 339 E C -0.400 176.168 176.600 -0.053 0.000 0.948 339 E CA -0.722 55.642 56.400 -0.060 0.000 0.802 339 E CB 2.641 32.317 29.700 -0.040 0.000 1.137 339 E HN 0.782 nan 8.360 nan 0.000 0.397 340 A N 2.404 125.211 122.820 -0.023 0.000 2.524 340 A HA 0.767 5.073 4.320 -0.022 0.000 0.286 340 A C -1.165 176.426 177.584 0.012 0.000 1.203 340 A CA -0.642 51.388 52.037 -0.012 0.000 0.736 340 A CB 1.741 20.735 19.000 -0.011 0.000 1.322 340 A HN 0.884 nan 8.150 nan 0.000 0.424 341 E N -0.326 119.889 120.200 0.026 0.000 2.403 341 E HA 0.600 4.937 4.350 -0.022 0.000 0.280 341 E C -1.717 174.924 176.600 0.068 0.000 1.101 341 E CA -1.031 55.404 56.400 0.058 0.000 0.856 341 E CB 1.121 30.873 29.700 0.086 0.000 1.303 341 E HN 0.367 nan 8.360 nan 0.000 0.441 342 R N 0.938 121.499 120.500 0.102 0.000 2.532 342 R HA 0.551 4.878 4.340 -0.022 0.000 0.297 342 R C -1.327 175.063 176.300 0.151 0.000 0.984 342 R CA -0.452 55.709 56.100 0.102 0.000 0.884 342 R CB 2.037 32.389 30.300 0.087 0.000 1.182 342 R HN 0.835 nan 8.270 nan 0.000 0.442 343 T N -1.958 112.667 114.554 0.119 0.000 2.893 343 T HA 0.617 4.954 4.350 -0.022 0.000 0.293 343 T C 0.748 175.507 174.700 0.098 0.000 1.027 343 T CA -0.116 62.060 62.100 0.127 0.000 0.988 343 T CB 2.240 71.157 68.868 0.081 0.000 1.043 343 T HN 0.652 nan 8.240 nan 0.000 0.461 344 G N 1.675 110.539 108.800 0.107 0.000 2.163 344 G HA2 -0.171 3.776 3.960 -0.022 0.000 0.213 344 G HA3 -0.171 3.776 3.960 -0.022 0.000 0.213 344 G C 0.070 175.032 174.900 0.103 0.000 0.991 344 G CA -0.483 44.671 45.100 0.090 0.000 0.653 344 G HN 0.889 nan 8.290 nan 0.000 0.518 345 I N 3.772 124.412 120.570 0.117 0.000 2.372 345 I HA 0.181 4.338 4.170 -0.022 0.000 0.298 345 I C -1.453 174.747 176.117 0.138 0.000 1.137 345 I CA -1.416 59.955 61.300 0.118 0.000 1.314 345 I CB 0.593 38.655 38.000 0.103 0.000 1.444 345 I HN 0.032 nan 8.210 nan 0.000 0.541 346 P HA 0.236 nan 4.420 nan 0.000 0.279 346 P C -0.142 177.270 177.300 0.186 0.000 1.252 346 P CA -0.279 62.911 63.100 0.149 0.000 0.811 346 P CB 1.755 33.534 31.700 0.130 0.000 1.035 347 I N 1.217 121.872 120.570 0.141 0.000 3.376 347 I HA 0.105 4.262 4.170 -0.022 0.000 0.347 347 I C 0.485 176.630 176.117 0.046 0.000 1.453 347 I CA -0.743 60.640 61.300 0.138 0.000 1.044 347 I CB 0.397 38.477 38.000 0.133 0.000 1.668 347 I HN -0.011 nan 8.210 nan 0.000 0.490 348 V N 1.227 121.154 119.914 0.021 0.000 3.367 348 V HA -0.121 3.986 4.120 -0.022 0.000 0.304 348 V C 1.873 177.899 176.094 -0.113 0.000 1.131 348 V CA 1.082 63.337 62.300 -0.075 0.000 1.233 348 V CB 0.594 32.319 31.823 -0.164 0.000 1.021 348 V HN 0.691 nan 8.190 nan 0.000 0.497 349 T N -1.993 112.489 114.554 -0.119 0.000 3.051 349 T HA 0.116 4.452 4.350 -0.022 0.000 0.255 349 T C 0.637 175.215 174.700 -0.204 0.000 1.085 349 T CA 0.565 62.598 62.100 -0.112 0.000 1.109 349 T CB 0.075 68.899 68.868 -0.073 0.000 0.921 349 T HN 0.933 nan 8.240 nan 0.000 0.488 350 S N 1.098 116.637 115.700 -0.269 0.000 2.549 350 S HA 0.537 4.994 4.470 -0.022 0.000 0.280 350 S C -2.485 171.763 174.600 -0.587 0.000 1.109 350 S CA -1.432 56.554 58.200 -0.357 0.000 0.905 350 S CB 2.311 65.385 63.200 -0.211 0.000 1.081 350 S HN -0.074 nan 8.310 nan 0.000 0.477 351 P HA 0.033 nan 4.420 nan 0.000 0.222 351 P C -0.656 176.096 177.300 -0.913 0.000 1.147 351 P CA 1.102 63.445 63.100 -1.261 0.000 0.790 351 P CB -0.365 30.562 31.700 -1.288 0.000 0.780 352 Y N -1.173 119.028 120.300 -0.165 0.000 2.421 352 Y HA 0.501 5.037 4.550 -0.022 0.000 0.339 352 Y C 0.350 176.226 175.900 -0.041 0.000 0.996 352 Y CA -1.386 56.676 58.100 -0.062 0.000 1.046 352 Y CB 1.219 39.663 38.460 -0.026 0.000 1.226 352 Y HN -0.255 nan 8.280 nan 0.000 0.445 353 Q N 4.425 124.314 119.800 0.149 0.000 2.314 353 Q HA 0.580 4.907 4.340 -0.022 0.000 0.259 353 Q C -1.214 174.913 176.000 0.212 0.000 0.951 353 Q CA -0.885 54.989 55.803 0.120 0.000 0.909 353 Q CB 1.194 29.974 28.738 0.071 0.000 1.236 353 Q HN 0.849 nan 8.270 nan 0.000 0.444 354 I N 2.451 123.112 120.570 0.153 0.000 2.607 354 I HA 0.578 4.735 4.170 -0.022 0.000 0.305 354 I C -0.902 175.274 176.117 0.098 0.000 0.995 354 I CA -0.116 61.224 61.300 0.066 0.000 1.148 354 I CB 1.688 39.628 38.000 -0.099 0.000 1.323 354 I HN 0.723 nan 8.210 nan 0.000 0.461 355 H N 2.452 121.310 119.070 -0.353 0.000 2.950 355 H HA 0.510 5.052 4.556 -0.022 0.000 0.272 355 H C -1.860 173.043 175.328 -0.707 0.000 1.495 355 H CA -1.340 54.407 56.048 -0.502 0.000 1.183 355 H CB 0.415 30.053 29.762 -0.207 0.000 1.867 355 H HN 0.551 nan 8.280 nan 0.000 0.597 356 F N 0.033 120.035 119.950 0.088 0.000 2.496 356 F HA 0.497 5.011 4.527 -0.022 0.000 0.341 356 F C 0.659 176.447 175.800 -0.020 0.000 1.134 356 F CA -0.432 57.572 58.000 0.006 0.000 0.968 356 F CB 2.295 41.294 39.000 -0.002 0.000 1.205 356 F HN 0.525 nan 8.300 nan 0.000 0.436 357 T N 0.590 115.186 114.554 0.070 0.000 3.238 357 T HA 0.016 4.352 4.350 -0.022 0.000 0.242 357 T C 1.847 176.472 174.700 -0.125 0.000 0.980 357 T CA -0.060 62.023 62.100 -0.027 0.000 1.235 357 T CB 0.168 68.989 68.868 -0.078 0.000 1.069 357 T HN 0.280 nan 8.240 nan 0.000 0.407 358 K N 2.130 122.466 120.400 -0.107 0.000 2.362 358 K HA 0.055 4.362 4.320 -0.022 0.000 0.200 358 K C 0.963 177.502 176.600 -0.100 0.000 1.046 358 K CA 0.648 56.798 56.287 -0.228 0.000 0.952 358 K CB -0.876 31.663 32.500 0.064 0.000 0.753 358 K HN 0.348 nan 8.250 nan 0.000 0.466 359 T N 3.661 118.196 114.554 -0.030 0.000 2.791 359 T HA 0.057 4.394 4.350 -0.022 0.000 0.323 359 T C -2.044 172.609 174.700 -0.078 0.000 1.082 359 T CA -0.615 61.466 62.100 -0.032 0.000 1.084 359 T CB 0.566 69.477 68.868 0.071 0.000 0.992 359 T HN 0.161 nan 8.240 nan 0.000 0.547 360 P HA 0.412 nan 4.420 nan 0.000 0.290 360 P C -0.252 177.019 177.300 -0.048 0.000 1.307 360 P CA -0.908 62.141 63.100 -0.084 0.000 0.948 360 P CB 1.960 33.652 31.700 -0.013 0.000 1.312 361 K N 0.055 120.287 120.400 -0.281 0.000 2.244 361 K HA 0.212 4.518 4.320 -0.022 0.000 0.200 361 K C 0.122 176.507 176.600 -0.358 0.000 1.052 361 K CA 0.606 56.600 56.287 -0.489 0.000 0.980 361 K CB -0.052 31.823 32.500 -1.041 0.000 0.838 361 K HN 0.328 nan 8.250 nan 0.000 0.481 362 F N 2.118 122.130 119.950 0.102 0.000 2.482 362 F HA 0.411 4.925 4.527 -0.022 0.000 0.331 362 F C 0.026 175.827 175.800 0.001 0.000 1.115 362 F CA -1.933 56.060 58.000 -0.012 0.000 0.955 362 F CB 1.207 40.164 39.000 -0.071 0.000 1.136 362 F HN -0.075 nan 8.300 nan 0.000 0.452 363 F N 0.454 120.331 119.950 -0.120 0.000 2.544 363 F HA 0.847 5.360 4.527 -0.022 0.000 0.378 363 F C -1.232 174.405 175.800 -0.271 0.000 1.112 363 F CA -1.512 56.296 58.000 -0.320 0.000 1.115 363 F CB 0.870 39.359 39.000 -0.852 0.000 1.436 363 F HN 0.193 nan 8.300 nan 0.000 0.496 364 K N 1.870 122.226 120.400 -0.074 0.000 2.545 364 K HA 0.373 4.679 4.320 -0.022 0.000 0.252 364 K C -2.792 173.851 176.600 0.072 0.000 0.948 364 K CA -2.176 53.901 56.287 -0.350 0.000 0.827 364 K CB 1.583 33.852 32.500 -0.386 0.000 1.128 364 K HN 0.354 nan 8.250 nan 0.000 0.429 365 P HA -0.138 nan 4.420 nan 0.000 0.263 365 P C -0.132 177.316 177.300 0.248 0.000 1.175 365 P CA 0.697 63.986 63.100 0.315 0.000 0.761 365 P CB 0.900 32.735 31.700 0.225 0.000 0.794 366 A N 2.108 125.041 122.820 0.188 0.000 2.905 366 A HA -0.201 4.106 4.320 -0.022 0.000 0.260 366 A C 0.204 177.868 177.584 0.133 0.000 1.398 366 A CA 1.344 53.462 52.037 0.136 0.000 0.840 366 A CB -2.617 16.472 19.000 0.149 0.000 1.059 366 A HN 0.582 nan 8.150 nan 0.000 0.647 367 M N -0.253 119.429 119.600 0.137 0.000 2.501 367 M HA 0.457 4.923 4.480 -0.022 0.000 0.293 367 M C -2.683 173.707 176.300 0.151 0.000 1.192 367 M CA -2.155 53.239 55.300 0.156 0.000 0.886 367 M CB 2.605 35.334 32.600 0.216 0.000 1.710 367 M HN 0.126 nan 8.290 nan 0.000 0.457 368 P HA 0.045 nan 4.420 nan 0.000 0.269 368 P C -1.292 176.212 177.300 0.340 0.000 1.209 368 P CA 0.076 63.281 63.100 0.176 0.000 0.776 368 P CB 0.521 32.276 31.700 0.092 0.000 0.876 369 F N 2.255 122.234 119.950 0.049 0.000 2.436 369 F HA 0.289 4.802 4.527 -0.022 0.000 0.340 369 F C -0.010 175.826 175.800 0.059 0.000 1.113 369 F CA -1.237 56.780 58.000 0.029 0.000 1.022 369 F CB 0.846 39.801 39.000 -0.075 0.000 1.128 369 F HN 0.120 nan 8.300 nan 0.000 0.466 370 D N 7.161 127.441 120.400 -0.200 0.000 2.524 370 D HA 0.197 4.824 4.640 -0.022 0.000 0.222 370 D C -0.198 175.799 176.300 -0.506 0.000 1.142 370 D CA 0.053 53.900 54.000 -0.256 0.000 0.973 370 D CB 0.074 40.867 40.800 -0.012 0.000 1.025 370 D HN 0.500 nan 8.370 nan 0.000 0.519 371 L N -2.299 118.594 121.223 -0.549 0.000 2.421 371 L HA 0.605 4.932 4.340 -0.022 0.000 0.263 371 L C 0.111 176.894 176.870 -0.145 0.000 1.122 371 L CA -0.627 53.972 54.840 -0.402 0.000 0.804 371 L CB 1.175 43.034 42.059 -0.332 0.000 1.150 371 L HN -0.135 nan 8.230 nan 0.000 0.457 372 M N 3.102 122.674 119.600 -0.047 0.000 1.986 372 M HA 0.228 4.694 4.480 -0.022 0.000 0.247 372 M C -0.798 175.512 176.300 0.016 0.000 0.851 372 M CA -0.346 54.949 55.300 -0.008 0.000 0.785 372 M CB 1.449 34.057 32.600 0.013 0.000 1.554 372 M HN 0.461 nan 8.290 nan 0.000 0.361 373 V N 2.917 122.817 119.914 -0.025 0.000 2.399 373 V HA -0.084 4.022 4.120 -0.022 0.000 0.245 373 V C 0.011 176.002 176.094 -0.172 0.000 1.089 373 V CA 0.286 62.503 62.300 -0.140 0.000 1.196 373 V CB -1.175 30.576 31.823 -0.118 0.000 1.221 373 V HN 0.556 nan 8.190 nan 0.000 0.482 374 Y N 4.802 124.887 120.300 -0.359 0.000 2.436 374 Y HA 0.398 4.935 4.550 -0.022 0.000 0.336 374 Y C 0.189 175.790 175.900 -0.498 0.000 1.049 374 Y CA -0.242 57.623 58.100 -0.391 0.000 1.294 374 Y CB 0.834 39.040 38.460 -0.423 0.000 1.179 374 Y HN 0.373 nan 8.280 nan 0.000 0.520 375 V N 5.064 124.935 119.914 -0.071 0.000 2.919 375 V HA 0.652 4.759 4.120 -0.022 0.000 0.316 375 V C -0.378 175.791 176.094 0.125 0.000 1.077 375 V CA -0.549 61.737 62.300 -0.022 0.000 0.977 375 V CB 2.264 34.009 31.823 -0.129 0.000 1.039 375 V HN 0.888 nan 8.190 nan 0.000 0.441 376 T N -0.496 114.172 114.554 0.191 0.000 2.840 376 T HA 0.435 4.772 4.350 -0.022 0.000 0.317 376 T C -1.051 173.800 174.700 0.252 0.000 1.401 376 T CA -0.969 61.279 62.100 0.246 0.000 1.028 376 T CB 1.493 70.564 68.868 0.338 0.000 1.317 376 T HN 0.487 nan 8.240 nan 0.000 0.495 377 N N 1.961 120.805 118.700 0.240 0.000 2.463 377 N HA 0.325 5.052 4.740 -0.022 0.000 0.270 377 N C -2.159 173.464 175.510 0.189 0.000 1.205 377 N CA -1.773 51.427 53.050 0.250 0.000 0.974 377 N CB 0.890 39.536 38.487 0.264 0.000 1.197 377 N HN 0.485 nan 8.380 nan 0.000 0.504 378 P HA -0.071 nan 4.420 nan 0.000 0.292 378 P C -0.561 176.825 177.300 0.142 0.000 1.493 378 P CA 1.006 64.192 63.100 0.144 0.000 0.786 378 P CB -0.569 31.238 31.700 0.178 0.000 1.716 379 D N -2.551 117.929 120.400 0.134 0.000 3.091 379 D HA 0.047 4.673 4.640 -0.022 0.000 0.306 379 D C 0.477 176.841 176.300 0.107 0.000 1.660 379 D CA -0.445 53.621 54.000 0.111 0.000 0.795 379 D CB -0.661 40.205 40.800 0.109 0.000 1.331 379 D HN 0.120 nan 8.370 nan 0.000 0.490 380 G N 1.642 110.512 108.800 0.117 0.000 2.359 380 G HA2 -0.162 3.785 3.960 -0.022 0.000 0.298 380 G HA3 -0.162 3.785 3.960 -0.022 0.000 0.298 380 G C 0.019 175.011 174.900 0.153 0.000 1.030 380 G CA 0.616 45.793 45.100 0.129 0.000 1.149 380 G HN 1.057 nan 8.290 nan 0.000 0.512 381 S N -0.384 115.420 115.700 0.173 0.000 2.721 381 S HA 0.641 5.098 4.470 -0.022 0.000 0.264 381 S C -2.220 172.473 174.600 0.155 0.000 1.161 381 S CA -1.607 56.685 58.200 0.154 0.000 1.113 381 S CB 3.041 66.319 63.200 0.130 0.000 1.079 381 S HN 0.098 nan 8.310 nan 0.000 0.479 382 P HA 0.064 nan 4.420 nan 0.000 0.257 382 P C 0.069 177.388 177.300 0.032 0.000 1.153 382 P CA 0.736 63.860 63.100 0.039 0.000 0.762 382 P CB 0.021 31.690 31.700 -0.052 0.000 0.743 383 A N 5.124 127.954 122.820 0.017 0.000 2.313 383 A HA 0.344 4.650 4.320 -0.022 0.000 0.261 383 A C 0.994 178.551 177.584 -0.046 0.000 1.090 383 A CA -0.339 51.705 52.037 0.010 0.000 0.807 383 A CB 0.422 19.398 19.000 -0.039 0.000 1.055 383 A HN 0.382 nan 8.150 nan 0.000 0.492 384 R N 0.090 120.575 120.500 -0.025 0.000 3.228 384 R HA 0.072 4.399 4.340 -0.022 0.000 0.219 384 R C -0.071 176.244 176.300 0.025 0.000 1.071 384 R CA -0.107 55.983 56.100 -0.017 0.000 1.103 384 R CB -0.644 29.631 30.300 -0.040 0.000 0.854 384 R HN 0.839 nan 8.270 nan 0.000 0.479 385 H N 0.162 119.186 119.070 -0.077 0.000 3.248 385 H HA 0.044 4.587 4.556 -0.022 0.000 0.258 385 H C -0.077 175.179 175.328 -0.120 0.000 0.923 385 H CA 0.034 56.031 56.048 -0.086 0.000 1.416 385 H CB -0.212 29.519 29.762 -0.052 0.000 1.523 385 H HN 0.125 nan 8.280 nan 0.000 0.528 386 I N 6.479 127.009 120.570 -0.067 0.000 2.545 386 I HA 0.197 4.353 4.170 -0.022 0.000 0.292 386 I C -2.195 173.847 176.117 -0.125 0.000 1.040 386 I CA -2.340 58.867 61.300 -0.154 0.000 1.068 386 I CB 2.927 40.725 38.000 -0.337 0.000 1.251 386 I HN 0.409 nan 8.210 nan 0.000 0.424 387 P HA 0.118 nan 4.420 nan 0.000 0.274 387 P C -0.645 176.616 177.300 -0.065 0.000 1.470 387 P CA -0.140 62.919 63.100 -0.067 0.000 1.001 387 P CB 0.567 32.245 31.700 -0.038 0.000 1.332 388 V N 5.566 125.437 119.914 -0.072 0.000 2.322 388 V HA 0.119 4.226 4.120 -0.022 0.000 0.258 388 V C 0.967 177.042 176.094 -0.031 0.000 1.074 388 V CA -0.367 61.899 62.300 -0.058 0.000 0.909 388 V CB 0.936 32.714 31.823 -0.075 0.000 1.090 388 V HN 0.258 nan 8.190 nan 0.000 0.486 389 V N 4.161 124.066 119.914 -0.015 0.000 3.234 389 V HA 0.756 4.862 4.120 -0.022 0.000 0.317 389 V C 0.648 176.750 176.094 0.014 0.000 1.081 389 V CA -0.191 62.107 62.300 -0.003 0.000 1.037 389 V CB 1.989 33.811 31.823 -0.002 0.000 1.148 389 V HN 0.921 nan 8.190 nan 0.000 0.453 390 T N -1.709 112.854 114.554 0.016 0.000 2.693 390 T HA 0.329 4.665 4.350 -0.022 0.000 0.278 390 T C 0.352 175.063 174.700 0.019 0.000 0.994 390 T CA -0.628 61.488 62.100 0.027 0.000 1.033 390 T CB 1.526 70.411 68.868 0.030 0.000 1.342 390 T HN 0.411 nan 8.240 nan 0.000 0.538 391 Q N -0.297 119.514 119.800 0.019 0.000 2.508 391 Q HA 0.131 4.458 4.340 -0.022 0.000 0.214 391 Q C 1.828 177.831 176.000 0.005 0.000 0.979 391 Q CA 1.102 56.912 55.803 0.011 0.000 0.911 391 Q CB -0.352 28.390 28.738 0.007 0.000 0.969 391 Q HN 0.877 nan 8.270 nan 0.000 0.504 392 G N 0.009 108.812 108.800 0.005 0.000 3.088 392 G HA2 -0.005 3.942 3.960 -0.022 0.000 0.217 392 G HA3 -0.005 3.942 3.960 -0.022 0.000 0.217 392 G C 0.467 175.368 174.900 0.001 0.000 1.159 392 G CA 0.290 45.391 45.100 0.002 0.000 0.760 392 G HN 0.334 nan 8.290 nan 0.000 0.550 393 S N -0.022 115.679 115.700 0.002 0.000 3.521 393 S HA -0.231 4.226 4.470 -0.022 0.000 0.328 393 S C 0.197 174.796 174.600 -0.003 0.000 1.165 393 S CA 0.765 58.965 58.200 0.000 0.000 0.941 393 S CB -2.692 60.508 63.200 0.000 0.000 0.951 393 S HN 0.471 nan 8.310 nan 0.000 0.539 394 N N 0.475 119.173 118.700 -0.003 0.000 2.445 394 N HA 0.474 5.201 4.740 -0.022 0.000 0.264 394 N C -0.203 175.300 175.510 -0.012 0.000 1.227 394 N CA -0.053 52.992 53.050 -0.007 0.000 0.963 394 N CB 1.158 39.641 38.487 -0.007 0.000 1.188 394 N HN 0.278 nan 8.380 nan 0.000 0.491 395 V N 1.329 121.233 119.914 -0.017 0.000 2.266 395 V HA 0.114 4.220 4.120 -0.022 0.000 0.266 395 V C 0.366 176.439 176.094 -0.036 0.000 1.036 395 V CA -0.531 61.754 62.300 -0.024 0.000 0.828 395 V CB 0.597 32.407 31.823 -0.022 0.000 1.081 395 V HN 0.557 nan 8.190 nan 0.000 0.449 396 Q N 1.777 121.554 119.800 -0.038 0.000 2.544 396 Q HA 0.566 4.893 4.340 -0.022 0.000 0.194 396 Q C 0.187 176.146 176.000 -0.069 0.000 1.104 396 Q CA 0.438 56.211 55.803 -0.051 0.000 1.131 396 Q CB 1.188 29.897 28.738 -0.047 0.000 1.210 396 Q HN 0.726 nan 8.270 nan 0.000 0.639 397 S N -0.263 115.384 115.700 -0.088 0.000 2.546 397 S HA 0.562 5.018 4.470 -0.022 0.000 0.274 397 S C -1.963 172.560 174.600 -0.127 0.000 1.121 397 S CA -0.794 57.337 58.200 -0.115 0.000 0.887 397 S CB 0.750 63.862 63.200 -0.147 0.000 1.094 397 S HN 0.515 nan 8.310 nan 0.000 0.474 398 L N 5.028 126.170 121.223 -0.135 0.000 2.255 398 L HA 0.508 4.835 4.340 -0.022 0.000 0.289 398 L C 0.597 177.399 176.870 -0.113 0.000 1.046 398 L CA 0.068 54.825 54.840 -0.138 0.000 0.816 398 L CB 0.749 42.711 42.059 -0.163 0.000 1.197 398 L HN 0.852 nan 8.230 nan 0.000 0.427 399 T N 1.333 115.821 114.554 -0.111 0.000 2.855 399 T HA 0.068 4.405 4.350 -0.022 0.000 0.314 399 T C 0.755 175.446 174.700 -0.016 0.000 1.077 399 T CA 0.280 62.343 62.100 -0.061 0.000 1.095 399 T CB 0.690 69.512 68.868 -0.076 0.000 0.987 399 T HN 0.787 nan 8.240 nan 0.000 0.546 400 Q N 0.303 120.143 119.800 0.067 0.000 2.390 400 Q HA -0.034 4.293 4.340 -0.022 0.000 0.216 400 Q C 0.810 176.804 176.000 -0.010 0.000 0.916 400 Q CA 0.369 56.189 55.803 0.029 0.000 0.911 400 Q CB 0.005 28.766 28.738 0.039 0.000 1.035 400 Q HN 0.685 nan 8.270 nan 0.000 0.541 401 D N 1.849 122.250 120.400 0.001 0.000 2.263 401 D HA -0.119 4.507 4.640 -0.022 0.000 0.208 401 D C 0.715 176.993 176.300 -0.037 0.000 0.971 401 D CA 1.241 55.235 54.000 -0.010 0.000 0.867 401 D CB 0.190 40.989 40.800 -0.001 0.000 0.929 401 D HN 0.458 nan 8.370 nan 0.000 0.492 402 D N -1.326 119.030 120.400 -0.074 0.000 2.482 402 D HA 0.104 4.731 4.640 -0.022 0.000 0.251 402 D C 1.777 177.936 176.300 -0.235 0.000 1.073 402 D CA 0.824 54.748 54.000 -0.127 0.000 0.892 402 D CB 0.652 41.375 40.800 -0.128 0.000 1.202 402 D HN 0.212 nan 8.370 nan 0.000 0.496 403 G N 1.294 109.970 108.800 -0.207 0.000 2.189 403 G HA2 -0.297 3.650 3.960 -0.022 0.000 0.267 403 G HA3 -0.297 3.650 3.960 -0.022 0.000 0.267 403 G C 0.431 175.074 174.900 -0.429 0.000 0.975 403 G CA 0.595 45.534 45.100 -0.269 0.000 0.644 403 G HN 0.325 nan 8.290 nan 0.000 0.537 404 V N 1.635 121.289 119.914 -0.434 0.000 2.240 404 V HA 0.714 4.821 4.120 -0.022 0.000 0.265 404 V C 1.003 176.965 176.094 -0.220 0.000 1.073 404 V CA -0.558 61.494 62.300 -0.413 0.000 0.857 404 V CB 0.423 32.012 31.823 -0.390 0.000 1.114 404 V HN 0.975 nan 8.190 nan 0.000 0.469 405 A N 5.827 128.534 122.820 -0.187 0.000 2.475 405 A HA 0.497 4.803 4.320 -0.022 0.000 0.239 405 A C 0.448 177.968 177.584 -0.107 0.000 1.087 405 A CA 0.057 52.012 52.037 -0.136 0.000 0.779 405 A CB 0.326 19.249 19.000 -0.129 0.000 1.036 405 A HN 0.650 nan 8.150 nan 0.000 0.506 406 K N -0.030 120.316 120.400 -0.089 0.000 2.295 406 K HA 0.859 5.166 4.320 -0.022 0.000 0.239 406 K C -0.827 175.733 176.600 -0.067 0.000 0.991 406 K CA -0.471 55.772 56.287 -0.073 0.000 0.845 406 K CB 1.831 34.291 32.500 -0.067 0.000 1.197 406 K HN 0.666 nan 8.250 nan 0.000 0.441 407 L N -0.864 120.319 121.223 -0.068 0.000 2.828 407 L HA 0.472 4.798 4.340 -0.022 0.000 0.264 407 L C -1.310 175.521 176.870 -0.065 0.000 1.106 407 L CA -0.539 54.266 54.840 -0.059 0.000 0.955 407 L CB 2.480 44.510 42.059 -0.049 0.000 1.558 407 L HN 0.703 nan 8.230 nan 0.000 0.386 408 S N 0.553 116.228 115.700 -0.042 0.000 2.583 408 S HA 0.622 5.078 4.470 -0.022 0.000 0.294 408 S C -1.740 172.869 174.600 0.015 0.000 1.121 408 S CA -0.455 57.735 58.200 -0.017 0.000 0.910 408 S CB 1.404 64.600 63.200 -0.007 0.000 1.102 408 S HN 0.385 nan 8.310 nan 0.000 0.451 409 I N 2.597 123.202 120.570 0.058 0.000 2.447 409 I HA 0.462 4.618 4.170 -0.022 0.000 0.287 409 I C 0.029 176.183 176.117 0.062 0.000 1.023 409 I CA -0.880 60.455 61.300 0.058 0.000 1.083 409 I CB 1.547 39.584 38.000 0.062 0.000 1.245 409 I HN 0.542 nan 8.210 nan 0.000 0.434 410 N N 4.598 123.316 118.700 0.030 0.000 2.406 410 N HA 0.032 4.759 4.740 -0.022 0.000 0.269 410 N C 0.164 175.670 175.510 -0.006 0.000 1.210 410 N CA -0.223 52.841 53.050 0.023 0.000 0.966 410 N CB 0.244 38.740 38.487 0.015 0.000 1.293 410 N HN 0.871 nan 8.380 nan 0.000 0.491 411 T N -0.475 114.061 114.554 -0.030 0.000 2.754 411 T HA 0.131 4.467 4.350 -0.022 0.000 0.286 411 T C 0.324 175.004 174.700 -0.033 0.000 0.997 411 T CA -0.488 61.547 62.100 -0.107 0.000 0.982 411 T CB 1.359 70.058 68.868 -0.282 0.000 1.027 411 T HN 0.620 nan 8.240 nan 0.000 0.529 412 Q N 0.383 120.164 119.800 -0.032 0.000 2.814 412 Q HA 0.351 4.677 4.340 -0.022 0.000 0.283 412 Q C -0.889 175.152 176.000 0.069 0.000 1.071 412 Q CA -1.071 54.746 55.803 0.023 0.000 0.849 412 Q CB 0.785 29.530 28.738 0.012 0.000 1.437 412 Q HN 0.614 nan 8.270 nan 0.000 0.492 413 N N 1.289 120.035 118.700 0.078 0.000 2.549 413 N HA 0.188 4.915 4.740 -0.022 0.000 0.267 413 N C -1.137 174.429 175.510 0.093 0.000 1.182 413 N CA 0.345 53.456 53.050 0.103 0.000 1.019 413 N CB 0.041 38.581 38.487 0.089 0.000 1.380 413 N HN 0.342 nan 8.380 nan 0.000 0.505 414 K N 0.707 121.178 120.400 0.119 0.000 2.597 414 K HA 0.321 4.627 4.320 -0.022 0.000 0.282 414 K C 0.092 176.786 176.600 0.158 0.000 0.975 414 K CA -0.641 55.710 56.287 0.107 0.000 0.867 414 K CB 1.810 34.356 32.500 0.076 0.000 1.465 414 K HN 0.108 nan 8.250 nan 0.000 0.417 415 R N 0.332 120.899 120.500 0.112 0.000 2.476 415 R HA 0.136 4.463 4.340 -0.022 0.000 0.276 415 R C -0.502 175.847 176.300 0.080 0.000 0.941 415 R CA -0.237 55.906 56.100 0.072 0.000 1.088 415 R CB 0.380 30.678 30.300 -0.003 0.000 1.216 415 R HN 0.545 nan 8.270 nan 0.000 0.533 416 D N 2.906 123.367 120.400 0.102 0.000 2.363 416 D HA 0.041 4.668 4.640 -0.022 0.000 0.240 416 D C -2.083 174.291 176.300 0.124 0.000 1.236 416 D CA -1.030 53.015 54.000 0.076 0.000 0.927 416 D CB 0.246 41.075 40.800 0.048 0.000 1.150 416 D HN -0.027 nan 8.370 nan 0.000 0.458 417 P HA 0.123 nan 4.420 nan 0.000 0.282 417 P C -0.471 176.841 177.300 0.020 0.000 1.262 417 P CA -0.558 62.592 63.100 0.084 0.000 0.773 417 P CB 0.683 32.410 31.700 0.044 0.000 0.879 418 L N 4.436 125.641 121.223 -0.030 0.000 2.312 418 L HA 0.281 4.608 4.340 -0.022 0.000 0.287 418 L C -0.153 176.655 176.870 -0.103 0.000 1.091 418 L CA 0.590 55.332 54.840 -0.164 0.000 0.846 418 L CB -0.146 41.626 42.059 -0.479 0.000 1.219 418 L HN 0.246 nan 8.230 nan 0.000 0.439 419 T N 6.952 121.468 114.554 -0.064 0.000 3.029 419 T HA 0.428 4.764 4.350 -0.022 0.000 0.346 419 T C -0.176 174.503 174.700 -0.034 0.000 1.211 419 T CA -0.210 61.864 62.100 -0.044 0.000 1.009 419 T CB -0.503 68.351 68.868 -0.024 0.000 1.084 419 T HN 0.438 nan 8.240 nan 0.000 0.536 420 I N 1.784 122.333 120.570 -0.035 0.000 2.312 420 I HA 0.464 4.621 4.170 -0.022 0.000 0.291 420 I C 0.827 176.960 176.117 0.026 0.000 1.031 420 I CA -0.990 60.309 61.300 -0.001 0.000 1.293 420 I CB 0.171 38.185 38.000 0.024 0.000 1.403 420 I HN 0.362 nan 8.210 nan 0.000 0.484 421 T N 3.214 117.798 114.554 0.051 0.000 2.902 421 T HA 0.850 5.186 4.350 -0.022 0.000 0.280 421 T C -0.110 174.662 174.700 0.120 0.000 0.992 421 T CA -0.721 61.435 62.100 0.094 0.000 1.015 421 T CB 1.624 70.531 68.868 0.065 0.000 1.044 421 T HN 0.510 nan 8.240 nan 0.000 0.520 422 V N 1.248 121.254 119.914 0.155 0.000 2.612 422 V HA 0.604 4.711 4.120 -0.022 0.000 0.301 422 V C -0.462 175.672 176.094 0.067 0.000 1.059 422 V CA -1.179 61.192 62.300 0.119 0.000 0.886 422 V CB 1.433 33.353 31.823 0.162 0.000 1.007 422 V HN 0.962 nan 8.190 nan 0.000 0.426 423 R N 1.498 122.021 120.500 0.039 0.000 2.875 423 R HA 0.866 5.192 4.340 -0.022 0.000 0.251 423 R C -0.140 176.166 176.300 0.010 0.000 1.123 423 R CA -0.681 55.434 56.100 0.025 0.000 1.064 423 R CB 1.383 31.696 30.300 0.022 0.000 1.205 423 R HN 0.813 nan 8.270 nan 0.000 0.503 424 T N -1.651 112.915 114.554 0.020 0.000 2.864 424 T HA 0.372 4.708 4.350 -0.022 0.000 0.310 424 T C -0.378 174.341 174.700 0.033 0.000 1.040 424 T CA -1.120 60.989 62.100 0.016 0.000 0.977 424 T CB 0.639 69.540 68.868 0.054 0.000 0.976 424 T HN 0.403 nan 8.240 nan 0.000 0.459 425 K N 2.228 122.635 120.400 0.012 0.000 2.758 425 K HA 0.201 4.508 4.320 -0.022 0.000 0.250 425 K C 0.092 176.707 176.600 0.024 0.000 1.268 425 K CA -0.656 55.641 56.287 0.016 0.000 1.228 425 K CB 0.176 32.679 32.500 0.005 0.000 1.715 425 K HN 0.287 nan 8.250 nan 0.000 0.334 426 K N 3.160 123.595 120.400 0.057 0.000 2.110 426 K HA -0.041 4.265 4.320 -0.022 0.000 0.260 426 K C 0.743 177.377 176.600 0.057 0.000 1.126 426 K CA -0.084 56.248 56.287 0.075 0.000 1.005 426 K CB -0.162 32.445 32.500 0.178 0.000 1.336 426 K HN 0.395 nan 8.250 nan 0.000 0.369 427 D N 1.867 122.287 120.400 0.035 0.000 2.315 427 D HA -0.337 4.290 4.640 -0.022 0.000 0.198 427 D C 0.220 176.535 176.300 0.026 0.000 1.010 427 D CA 1.750 55.765 54.000 0.025 0.000 0.911 427 D CB -0.121 40.692 40.800 0.020 0.000 0.897 427 D HN 0.563 nan 8.370 nan 0.000 0.455 428 N N 0.241 118.964 118.700 0.039 0.000 2.289 428 N HA 0.015 4.742 4.740 -0.022 0.000 0.184 428 N C 0.750 176.273 175.510 0.022 0.000 1.016 428 N CA 1.053 54.126 53.050 0.038 0.000 0.872 428 N CB -0.109 38.413 38.487 0.057 0.000 0.973 428 N HN 0.498 nan 8.380 nan 0.000 0.433 429 I N -1.665 118.911 120.570 0.010 0.000 2.957 429 I HA 0.487 4.644 4.170 -0.022 0.000 0.310 429 I C -2.383 173.716 176.117 -0.031 0.000 1.063 429 I CA -2.754 58.530 61.300 -0.026 0.000 1.033 429 I CB 1.619 39.579 38.000 -0.066 0.000 1.230 429 I HN -0.252 nan 8.210 nan 0.000 0.447 430 P HA 0.095 nan 4.420 nan 0.000 0.274 430 P C -0.365 176.906 177.300 -0.048 0.000 1.246 430 P CA -0.303 62.773 63.100 -0.040 0.000 0.795 430 P CB 0.517 32.191 31.700 -0.044 0.000 1.006 431 E N -0.024 120.157 120.200 -0.032 0.000 2.352 431 E HA 0.068 4.404 4.350 -0.022 0.000 0.197 431 E C 1.326 177.898 176.600 -0.046 0.000 1.224 431 E CA -0.038 56.345 56.400 -0.029 0.000 1.118 431 E CB -1.111 28.581 29.700 -0.014 0.000 1.198 431 E HN 0.544 nan 8.360 nan 0.000 0.454 432 G N 2.454 111.210 108.800 -0.074 0.000 2.396 432 G HA2 -0.255 3.692 3.960 -0.022 0.000 0.214 432 G HA3 -0.255 3.692 3.960 -0.022 0.000 0.214 432 G C 1.546 176.375 174.900 -0.117 0.000 1.166 432 G CA 0.161 45.207 45.100 -0.091 0.000 0.793 432 G HN 0.383 nan 8.290 nan 0.000 0.533 433 R N 1.041 121.447 120.500 -0.157 0.000 2.552 433 R HA 0.202 4.529 4.340 -0.022 0.000 0.314 433 R C -0.081 176.151 176.300 -0.114 0.000 1.041 433 R CA -0.388 55.606 56.100 -0.178 0.000 1.076 433 R CB -0.373 29.748 30.300 -0.298 0.000 1.290 433 R HN 0.477 nan 8.270 nan 0.000 0.563 434 Q N 0.958 120.724 119.800 -0.056 0.000 2.289 434 Q HA 0.366 4.693 4.340 -0.022 0.000 0.273 434 Q C -0.526 175.475 176.000 0.001 0.000 1.029 434 Q CA -0.165 55.638 55.803 -0.000 0.000 0.896 434 Q CB 1.111 29.854 28.738 0.007 0.000 1.182 434 Q HN 0.258 nan 8.270 nan 0.000 0.385 435 A N 3.985 126.826 122.820 0.035 0.000 2.354 435 A HA 0.413 4.720 4.320 -0.022 0.000 0.281 435 A C -0.159 177.444 177.584 0.031 0.000 1.174 435 A CA -0.449 51.604 52.037 0.026 0.000 0.828 435 A CB 0.483 19.514 19.000 0.051 0.000 1.099 435 A HN 0.792 nan 8.150 nan 0.000 0.516 436 T N 1.325 115.896 114.554 0.028 0.000 2.936 436 T HA 0.794 5.131 4.350 -0.022 0.000 0.282 436 T C -0.108 174.632 174.700 0.067 0.000 1.003 436 T CA -0.506 61.622 62.100 0.047 0.000 1.005 436 T CB 1.057 69.953 68.868 0.047 0.000 1.097 436 T HN 0.765 nan 8.240 nan 0.000 0.532 437 R N 0.872 121.445 120.500 0.121 0.000 3.262 437 R HA 0.352 4.678 4.340 -0.022 0.000 0.270 437 R C -1.160 175.367 176.300 0.379 0.000 1.147 437 R CA -0.241 55.981 56.100 0.202 0.000 1.189 437 R CB 0.745 31.124 30.300 0.132 0.000 1.271 437 R HN 0.794 nan 8.270 nan 0.000 0.447 438 T N 3.653 118.369 114.554 0.270 0.000 2.929 438 T HA 0.696 5.033 4.350 -0.022 0.000 0.284 438 T C -0.337 174.355 174.700 -0.014 0.000 1.014 438 T CA -0.548 61.650 62.100 0.163 0.000 1.051 438 T CB 0.816 69.731 68.868 0.077 0.000 1.028 438 T HN 0.589 nan 8.240 nan 0.000 0.485 439 M N 2.732 122.187 119.600 -0.242 0.000 2.727 439 M HA 0.541 5.008 4.480 -0.022 0.000 0.300 439 M C -1.631 174.558 176.300 -0.185 0.000 1.246 439 M CA -0.800 54.254 55.300 -0.411 0.000 0.835 439 M CB 2.191 34.231 32.600 -0.933 0.000 1.755 439 M HN 0.767 nan 8.290 nan 0.000 0.473 440 Q N 1.837 121.557 119.800 -0.134 0.000 2.268 440 Q HA 0.720 5.047 4.340 -0.022 0.000 0.266 440 Q C -2.449 173.553 176.000 0.004 0.000 1.006 440 Q CA -0.642 55.132 55.803 -0.049 0.000 0.824 440 Q CB 2.331 31.056 28.738 -0.021 0.000 1.306 440 Q HN 0.851 nan 8.270 nan 0.000 0.424 441 A N 3.622 126.461 122.820 0.032 0.000 2.401 441 A HA 0.811 5.117 4.320 -0.022 0.000 0.310 441 A C -1.656 176.083 177.584 0.259 0.000 1.075 441 A CA -0.623 51.490 52.037 0.127 0.000 0.746 441 A CB 1.287 20.292 19.000 0.009 0.000 1.277 441 A HN 0.602 nan 8.150 nan 0.000 0.425 442 L N 2.736 124.111 121.223 0.253 0.000 2.341 442 L HA 0.526 4.853 4.340 -0.022 0.000 0.278 442 L C -2.111 174.564 176.870 -0.325 0.000 1.005 442 L CA -1.665 53.189 54.840 0.025 0.000 0.818 442 L CB 1.818 43.865 42.059 -0.020 0.000 1.259 442 L HN 0.513 nan 8.230 nan 0.000 0.418 443 P HA -0.168 nan 4.420 nan 0.000 0.270 443 P C -1.197 175.802 177.300 -0.501 0.000 1.216 443 P CA 0.075 62.572 63.100 -1.005 0.000 0.788 443 P CB 0.422 31.660 31.700 -0.771 0.000 0.883 444 Y N 1.912 121.876 120.300 -0.560 0.000 2.350 444 Y HA 0.266 4.802 4.550 -0.022 0.000 0.340 444 Y C -0.160 175.594 175.900 -0.243 0.000 1.006 444 Y CA -0.621 57.274 58.100 -0.341 0.000 1.166 444 Y CB 0.203 38.483 38.460 -0.300 0.000 1.168 444 Y HN 0.240 nan 8.280 nan 0.000 0.502 445 N N 3.851 122.345 118.700 -0.344 0.000 2.419 445 N HA 0.155 4.882 4.740 -0.022 0.000 0.264 445 N C -0.454 175.036 175.510 -0.034 0.000 1.031 445 N CA -0.489 52.486 53.050 -0.125 0.000 0.951 445 N CB 1.425 39.810 38.487 -0.170 0.000 1.101 445 N HN 0.627 nan 8.380 nan 0.000 0.488 446 T N 0.648 115.367 114.554 0.276 0.000 2.904 446 T HA 0.064 4.401 4.350 -0.022 0.000 0.290 446 T C -0.026 174.760 174.700 0.143 0.000 1.018 446 T CA -0.839 61.455 62.100 0.323 0.000 1.075 446 T CB 0.314 69.382 68.868 0.332 0.000 0.986 446 T HN 0.570 nan 8.240 nan 0.000 0.523 447 Q N 2.616 122.493 119.800 0.128 0.000 2.244 447 Q HA 0.376 4.703 4.340 -0.022 0.000 0.278 447 Q C 0.666 176.699 176.000 0.056 0.000 1.093 447 Q CA -0.052 55.798 55.803 0.078 0.000 0.916 447 Q CB -0.358 28.425 28.738 0.075 0.000 1.159 447 Q HN 1.130 nan 8.270 nan 0.000 0.384 448 G N 3.774 112.597 108.800 0.038 0.000 2.487 448 G HA2 -0.292 3.655 3.960 -0.022 0.000 0.243 448 G HA3 -0.292 3.655 3.960 -0.022 0.000 0.243 448 G C 0.022 174.941 174.900 0.032 0.000 0.918 448 G CA -0.200 44.917 45.100 0.028 0.000 1.260 448 G HN 0.880 nan 8.290 nan 0.000 0.408 449 N N -1.214 117.506 118.700 0.033 0.000 2.537 449 N HA -0.262 4.465 4.740 -0.022 0.000 0.242 449 N C 1.431 176.962 175.510 0.035 0.000 1.219 449 N CA 1.803 54.875 53.050 0.038 0.000 0.747 449 N CB -0.594 37.909 38.487 0.026 0.000 1.127 449 N HN 1.391 nan 8.380 nan 0.000 0.565 450 S N -0.208 115.512 115.700 0.033 0.000 2.641 450 S HA 0.186 4.643 4.470 -0.022 0.000 0.251 450 S C 0.730 175.281 174.600 -0.081 0.000 1.332 450 S CA 0.057 58.254 58.200 -0.005 0.000 0.968 450 S CB 0.555 63.762 63.200 0.011 0.000 0.987 450 S HN 0.316 nan 8.310 nan 0.000 0.587 451 N N 1.225 119.808 118.700 -0.194 0.000 2.588 451 N HA 0.352 5.079 4.740 -0.022 0.000 0.298 451 N C -1.740 173.434 175.510 -0.560 0.000 1.718 451 N CA -0.346 52.422 53.050 -0.469 0.000 0.888 451 N CB 0.308 38.660 38.487 -0.226 0.000 1.389 451 N HN 0.378 nan 8.380 nan 0.000 0.491 452 N N 1.093 119.545 118.700 -0.413 0.000 2.817 452 N HA 0.216 4.942 4.740 -0.022 0.000 0.234 452 N C -0.871 174.652 175.510 0.021 0.000 1.066 452 N CA -0.062 52.926 53.050 -0.102 0.000 0.926 452 N CB 0.444 38.990 38.487 0.098 0.000 1.176 452 N HN 0.300 nan 8.380 nan 0.000 0.506 453 Y N 0.240 120.652 120.300 0.186 0.000 2.654 453 Y HA 0.629 5.166 4.550 -0.022 0.000 0.327 453 Y C 0.049 176.092 175.900 0.237 0.000 1.122 453 Y CA -1.558 56.579 58.100 0.061 0.000 1.227 453 Y CB 1.517 39.970 38.460 -0.013 0.000 1.370 453 Y HN 0.108 nan 8.280 nan 0.000 0.528 454 L N 1.540 122.943 121.223 0.300 0.000 2.568 454 L HA 0.347 4.674 4.340 -0.022 0.000 0.262 454 L C -1.802 175.165 176.870 0.161 0.000 0.980 454 L CA -0.447 54.578 54.840 0.308 0.000 0.882 454 L CB 0.720 43.011 42.059 0.388 0.000 1.198 454 L HN 0.634 nan 8.230 nan 0.000 0.425 455 H N 5.588 124.708 119.070 0.084 0.000 2.597 455 H HA 0.521 5.064 4.556 -0.022 0.000 0.303 455 H C -1.240 174.108 175.328 0.033 0.000 1.057 455 H CA -0.479 55.599 56.048 0.050 0.000 1.261 455 H CB 0.731 30.542 29.762 0.081 0.000 1.397 455 H HN 0.694 nan 8.280 nan 0.000 0.461 456 L N 3.869 125.206 121.223 0.190 0.000 2.312 456 L HA 0.331 4.658 4.340 -0.022 0.000 0.281 456 L C 0.498 177.342 176.870 -0.044 0.000 1.070 456 L CA -0.363 54.410 54.840 -0.112 0.000 0.805 456 L CB 1.330 43.230 42.059 -0.265 0.000 1.174 456 L HN 0.488 nan 8.230 nan 0.000 0.434 457 S N 1.711 117.347 115.700 -0.106 0.000 2.599 457 S HA 0.866 5.323 4.470 -0.022 0.000 0.287 457 S C -1.074 173.498 174.600 -0.047 0.000 1.105 457 S CA -0.466 57.692 58.200 -0.070 0.000 0.899 457 S CB 2.129 65.296 63.200 -0.056 0.000 1.100 457 S HN 0.282 nan 8.310 nan 0.000 0.482 458 V N 3.618 123.511 119.914 -0.034 0.000 3.023 458 V HA 0.528 4.635 4.120 -0.022 0.000 0.294 458 V C -2.376 173.696 176.094 -0.036 0.000 1.324 458 V CA -1.226 61.053 62.300 -0.035 0.000 0.979 458 V CB 2.385 34.179 31.823 -0.048 0.000 1.093 458 V HN 0.876 nan 8.190 nan 0.000 0.434 459 P HA 0.569 nan 4.420 nan 0.000 0.284 459 P C -1.334 175.936 177.300 -0.051 0.000 1.258 459 P CA -0.785 62.292 63.100 -0.038 0.000 0.824 459 P CB 1.523 33.203 31.700 -0.033 0.000 1.038 460 R N 1.737 122.205 120.500 -0.053 0.000 2.247 460 R HA 0.427 4.754 4.340 -0.022 0.000 0.329 460 R C -0.423 175.840 176.300 -0.062 0.000 1.014 460 R CA -0.436 55.627 56.100 -0.062 0.000 0.907 460 R CB -0.474 29.791 30.300 -0.059 0.000 1.146 460 R HN 0.318 nan 8.270 nan 0.000 0.499 461 V N 1.103 120.980 119.914 -0.062 0.000 2.886 461 V HA 0.278 4.385 4.120 -0.022 0.000 0.368 461 V C -0.029 176.029 176.094 -0.060 0.000 1.313 461 V CA -0.922 61.344 62.300 -0.057 0.000 1.491 461 V CB 0.519 32.312 31.823 -0.049 0.000 1.345 461 V HN 0.855 nan 8.190 nan 0.000 0.646 462 E N 1.848 122.006 120.200 -0.071 0.000 1.886 462 E HA -0.170 4.166 4.350 -0.022 0.000 0.334 462 E C -0.817 175.745 176.600 -0.064 0.000 0.614 462 E CA 0.536 56.889 56.400 -0.079 0.000 1.244 462 E CB -0.060 29.595 29.700 -0.076 0.000 0.539 462 E HN 0.781 nan 8.360 nan 0.000 0.399 463 L N 4.564 125.748 121.223 -0.065 0.000 2.331 463 L HA 0.355 4.681 4.340 -0.022 0.000 0.275 463 L C 0.768 177.604 176.870 -0.058 0.000 1.022 463 L CA -1.280 53.526 54.840 -0.057 0.000 0.812 463 L CB 1.334 43.359 42.059 -0.057 0.000 1.257 463 L HN 0.411 nan 8.230 nan 0.000 0.435 464 K N 2.411 122.782 120.400 -0.049 0.000 2.370 464 K HA -0.042 4.265 4.320 -0.022 0.000 0.263 464 K C -1.863 174.702 176.600 -0.058 0.000 0.983 464 K CA -0.715 55.546 56.287 -0.044 0.000 0.873 464 K CB -0.272 32.208 32.500 -0.034 0.000 0.979 464 K HN 0.387 nan 8.250 nan 0.000 0.529 465 P HA 0.049 nan 4.420 nan 0.000 0.256 465 P C 0.539 177.797 177.300 -0.069 0.000 1.384 465 P CA 0.439 63.504 63.100 -0.059 0.000 0.879 465 P CB 0.016 31.706 31.700 -0.017 0.000 1.403 466 G N -0.379 108.382 108.800 -0.066 0.000 2.724 466 G HA2 0.027 3.974 3.960 -0.022 0.000 0.205 466 G HA3 0.027 3.974 3.960 -0.022 0.000 0.205 466 G C 0.625 175.478 174.900 -0.078 0.000 1.112 466 G CA 0.076 45.139 45.100 -0.061 0.000 0.793 466 G HN 0.192 nan 8.290 nan 0.000 0.526 467 E N 0.663 120.813 120.200 -0.083 0.000 2.563 467 E HA 0.398 4.735 4.350 -0.022 0.000 0.260 467 E C 0.286 176.815 176.600 -0.119 0.000 1.391 467 E CA 0.572 56.920 56.400 -0.086 0.000 1.079 467 E CB 0.372 30.026 29.700 -0.077 0.000 0.984 467 E HN 0.293 nan 8.360 nan 0.000 0.563 468 T N -0.770 113.721 114.554 -0.104 0.000 2.886 468 T HA 0.574 4.911 4.350 -0.022 0.000 0.292 468 T C -1.140 173.500 174.700 -0.100 0.000 1.012 468 T CA -0.973 61.056 62.100 -0.118 0.000 0.982 468 T CB 1.017 69.833 68.868 -0.087 0.000 1.018 468 T HN 0.230 nan 8.240 nan 0.000 0.451 469 L N 2.377 123.533 121.223 -0.112 0.000 2.329 469 L HA 0.603 4.930 4.340 -0.022 0.000 0.279 469 L C -0.976 175.863 176.870 -0.051 0.000 1.014 469 L CA -0.754 54.043 54.840 -0.072 0.000 0.814 469 L CB 1.500 43.527 42.059 -0.054 0.000 1.257 469 L HN 0.668 nan 8.230 nan 0.000 0.424 470 N N 3.980 122.661 118.700 -0.032 0.000 2.422 470 N HA 0.364 5.090 4.740 -0.022 0.000 0.266 470 N C -1.149 174.365 175.510 0.007 0.000 1.007 470 N CA -0.269 52.772 53.050 -0.015 0.000 0.941 470 N CB 2.025 40.501 38.487 -0.018 0.000 1.115 470 N HN 0.390 nan 8.380 nan 0.000 0.492 471 V N 2.853 122.797 119.914 0.051 0.000 2.370 471 V HA 0.231 4.338 4.120 -0.022 0.000 0.279 471 V C 0.405 176.596 176.094 0.162 0.000 1.029 471 V CA -1.012 61.342 62.300 0.089 0.000 0.870 471 V CB 0.969 32.879 31.823 0.145 0.000 0.984 471 V HN 0.476 nan 8.190 nan 0.000 0.451 472 N N 3.828 122.547 118.700 0.032 0.000 2.442 472 N HA 0.272 4.999 4.740 -0.022 0.000 0.265 472 N C -0.870 174.596 175.510 -0.073 0.000 1.138 472 N CA 0.038 53.038 53.050 -0.083 0.000 0.956 472 N CB 0.879 39.263 38.487 -0.172 0.000 1.067 472 N HN 0.512 nan 8.380 nan 0.000 0.474 473 F N 2.221 121.972 119.950 -0.332 0.000 2.344 473 F HA 0.200 4.714 4.527 -0.022 0.000 0.344 473 F C 0.563 176.199 175.800 -0.274 0.000 1.140 473 F CA -0.757 57.056 58.000 -0.311 0.000 1.256 473 F CB -0.259 38.545 39.000 -0.326 0.000 1.573 473 F HN 0.360 nan 8.300 nan 0.000 0.547 474 H N 1.468 120.559 119.070 0.034 0.000 2.732 474 H HA 0.386 4.928 4.556 -0.022 0.000 0.351 474 H C -0.141 175.265 175.328 0.130 0.000 1.090 474 H CA -0.029 56.064 56.048 0.074 0.000 1.431 474 H CB 1.089 30.867 29.762 0.028 0.000 1.447 474 H HN 0.439 nan 8.280 nan 0.000 0.582 475 L N 1.827 123.220 121.223 0.282 0.000 2.286 475 L HA 0.602 4.929 4.340 -0.022 0.000 0.265 475 L C -0.761 176.239 176.870 0.218 0.000 1.012 475 L CA -0.889 54.103 54.840 0.255 0.000 0.818 475 L CB 1.606 43.785 42.059 0.199 0.000 1.337 475 L HN 0.758 nan 8.230 nan 0.000 0.438 476 R N 1.254 121.867 120.500 0.189 0.000 3.207 476 R HA 0.313 4.640 4.340 -0.022 0.000 0.238 476 R C -1.485 174.861 176.300 0.077 0.000 1.724 476 R CA 0.282 56.470 56.100 0.146 0.000 1.079 476 R CB 0.340 30.767 30.300 0.212 0.000 1.503 476 R HN 0.952 nan 8.270 nan 0.000 0.471 477 T N -1.531 113.050 114.554 0.045 0.000 2.922 477 T HA 0.535 4.872 4.350 -0.022 0.000 0.281 477 T C -0.228 174.469 174.700 -0.005 0.000 1.005 477 T CA -0.653 61.458 62.100 0.019 0.000 0.982 477 T CB 1.921 70.805 68.868 0.026 0.000 1.158 477 T HN 0.211 nan 8.240 nan 0.000 0.566 478 D N 0.394 120.787 120.400 -0.011 0.000 2.374 478 D HA 0.541 5.168 4.640 -0.022 0.000 0.239 478 D C -2.652 173.648 176.300 0.000 0.000 0.991 478 D CA -1.593 52.400 54.000 -0.011 0.000 0.960 478 D CB 1.316 42.101 40.800 -0.024 0.000 1.284 478 D HN 0.302 nan 8.370 nan 0.000 0.512 479 P HA -0.153 nan 4.420 nan 0.000 0.254 479 P C 0.699 178.001 177.300 0.004 0.000 1.094 479 P CA 1.800 64.902 63.100 0.004 0.000 0.763 479 P CB -0.033 31.669 31.700 0.004 0.000 0.670 480 G N 4.064 112.865 108.800 0.002 0.000 5.229 480 G HA2 -0.400 3.547 3.960 -0.022 0.000 0.250 480 G HA3 -0.400 3.547 3.960 -0.022 0.000 0.250 480 G C 1.238 176.136 174.900 -0.003 0.000 1.380 480 G CA 0.599 45.699 45.100 -0.001 0.000 0.933 480 G HN 0.478 nan 8.290 nan 0.000 0.731 481 E N 0.341 120.543 120.200 0.003 0.000 2.430 481 E HA -0.434 3.903 4.350 -0.022 0.000 0.243 481 E C 2.106 178.699 176.600 -0.012 0.000 1.111 481 E CA 2.249 58.654 56.400 0.008 0.000 1.097 481 E CB -1.045 28.671 29.700 0.027 0.000 0.941 481 E HN 0.868 nan 8.360 nan 0.000 0.473 482 Q N 0.129 119.917 119.800 -0.019 0.000 2.438 482 Q HA -0.223 4.104 4.340 -0.022 0.000 0.216 482 Q C 1.432 177.392 176.000 -0.067 0.000 0.996 482 Q CA 1.766 57.543 55.803 -0.043 0.000 0.923 482 Q CB -0.111 28.612 28.738 -0.024 0.000 0.921 482 Q HN 0.371 nan 8.270 nan 0.000 0.448 483 A N -0.832 121.955 122.820 -0.054 0.000 2.390 483 A HA 0.108 4.415 4.320 -0.022 0.000 0.232 483 A C 1.142 178.680 177.584 -0.076 0.000 1.233 483 A CA -0.245 51.754 52.037 -0.064 0.000 0.907 483 A CB 0.334 19.308 19.000 -0.043 0.000 0.967 483 A HN 0.233 nan 8.150 nan 0.000 0.512 484 K N -0.362 119.993 120.400 -0.076 0.000 2.379 484 K HA 0.214 4.521 4.320 -0.022 0.000 0.194 484 K C -0.628 175.884 176.600 -0.147 0.000 1.031 484 K CA 0.223 56.463 56.287 -0.078 0.000 1.037 484 K CB 0.270 32.751 32.500 -0.033 0.000 0.824 484 K HN 0.406 nan 8.250 nan 0.000 0.516 485 I N 3.372 123.827 120.570 -0.192 0.000 2.260 485 I HA 0.043 4.200 4.170 -0.022 0.000 0.297 485 I C 1.185 177.087 176.117 -0.357 0.000 1.143 485 I CA -0.030 61.071 61.300 -0.331 0.000 1.271 485 I CB 0.538 38.268 38.000 -0.450 0.000 1.461 485 I HN 0.039 nan 8.210 nan 0.000 0.530 486 R N 7.079 127.346 120.500 -0.387 0.000 2.397 486 R HA 0.184 4.511 4.340 -0.022 0.000 0.241 486 R C -0.506 175.744 176.300 -0.083 0.000 0.914 486 R CA 0.117 56.082 56.100 -0.224 0.000 1.071 486 R CB -0.525 29.697 30.300 -0.129 0.000 1.116 486 R HN 0.605 nan 8.270 nan 0.000 0.524 487 Y N -2.911 117.283 120.300 -0.177 0.000 2.871 487 Y HA 0.648 5.185 4.550 -0.022 0.000 0.331 487 Y C -1.837 173.846 175.900 -0.362 0.000 1.378 487 Y CA -1.832 56.138 58.100 -0.217 0.000 1.079 487 Y CB 0.930 39.342 38.460 -0.080 0.000 1.441 487 Y HN -0.196 nan 8.280 nan 0.000 0.446 488 Y N 0.207 120.718 120.300 0.352 0.000 2.287 488 Y HA 0.383 4.920 4.550 -0.022 0.000 0.325 488 Y C -0.806 175.141 175.900 0.078 0.000 1.139 488 Y CA -1.264 57.020 58.100 0.305 0.000 1.167 488 Y CB 2.126 40.872 38.460 0.476 0.000 1.158 488 Y HN 0.642 nan 8.280 nan 0.000 0.434 489 T N 3.998 118.492 114.554 -0.101 0.000 2.814 489 T HA 0.318 4.655 4.350 -0.022 0.000 0.297 489 T C -0.697 174.077 174.700 0.122 0.000 0.956 489 T CA -0.077 61.889 62.100 -0.223 0.000 1.123 489 T CB -0.191 68.333 68.868 -0.573 0.000 0.902 489 T HN 0.459 nan 8.240 nan 0.000 0.528 490 Y N 1.233 121.626 120.300 0.155 0.000 2.536 490 Y HA 0.841 5.377 4.550 -0.022 0.000 0.347 490 Y C -1.255 174.766 175.900 0.202 0.000 1.000 490 Y CA -2.436 55.800 58.100 0.227 0.000 1.051 490 Y CB 1.154 39.772 38.460 0.263 0.000 1.259 490 Y HN 0.401 nan 8.280 nan 0.000 0.468 491 M N 4.536 124.438 119.600 0.502 0.000 2.393 491 M HA 0.458 4.925 4.480 -0.022 0.000 0.299 491 M C -1.529 174.957 176.300 0.310 0.000 1.103 491 M CA -0.531 54.987 55.300 0.362 0.000 0.910 491 M CB 2.164 34.934 32.600 0.283 0.000 1.659 491 M HN 0.511 nan 8.290 nan 0.000 0.445 492 I N 3.840 124.559 120.570 0.248 0.000 2.331 492 I HA 0.420 4.577 4.170 -0.022 0.000 0.292 492 I C -0.743 175.444 176.117 0.117 0.000 0.998 492 I CA -0.323 61.084 61.300 0.179 0.000 1.267 492 I CB 1.253 39.311 38.000 0.097 0.000 1.386 492 I HN 0.671 nan 8.210 nan 0.000 0.476 493 M N 5.964 125.660 119.600 0.160 0.000 2.149 493 M HA 0.303 4.770 4.480 -0.022 0.000 0.342 493 M C -0.526 175.842 176.300 0.115 0.000 1.068 493 M CA -0.469 54.907 55.300 0.128 0.000 0.991 493 M CB 0.747 33.443 32.600 0.160 0.000 1.596 493 M HN 0.501 nan 8.290 nan 0.000 0.439 494 N N 2.399 121.118 118.700 0.032 0.000 2.397 494 N HA 0.313 5.040 4.740 -0.022 0.000 0.291 494 N C -1.095 174.420 175.510 0.009 0.000 1.065 494 N CA -0.334 52.719 53.050 0.004 0.000 0.884 494 N CB 1.349 39.742 38.487 -0.156 0.000 1.551 494 N HN 0.568 nan 8.380 nan 0.000 0.487 495 K N 2.776 123.220 120.400 0.074 0.000 3.096 495 K HA -0.169 4.138 4.320 -0.022 0.000 0.266 495 K C 0.491 177.184 176.600 0.156 0.000 1.043 495 K CA 0.732 57.100 56.287 0.135 0.000 0.758 495 K CB -1.864 30.680 32.500 0.074 0.000 1.260 495 K HN 1.103 nan 8.250 nan 0.000 0.481 496 G N 0.106 109.013 108.800 0.179 0.000 2.198 496 G HA2 -0.351 3.596 3.960 -0.022 0.000 0.260 496 G HA3 -0.351 3.596 3.960 -0.022 0.000 0.260 496 G C -0.178 174.807 174.900 0.142 0.000 1.025 496 G CA 1.138 46.360 45.100 0.204 0.000 0.769 496 G HN 0.397 nan 8.290 nan 0.000 0.507 497 K N -1.215 119.222 120.400 0.063 0.000 2.480 497 K HA 0.592 4.899 4.320 -0.022 0.000 0.258 497 K C -0.454 176.169 176.600 0.038 0.000 0.990 497 K CA -1.120 55.185 56.287 0.031 0.000 0.857 497 K CB 2.108 34.574 32.500 -0.056 0.000 1.384 497 K HN 0.059 nan 8.250 nan 0.000 0.446 498 L N 3.920 125.170 121.223 0.045 0.000 2.342 498 L HA 0.059 4.385 4.340 -0.022 0.000 0.285 498 L C 0.685 177.562 176.870 0.012 0.000 1.095 498 L CA -0.160 54.714 54.840 0.055 0.000 0.843 498 L CB 0.492 42.596 42.059 0.074 0.000 1.201 498 L HN 0.615 nan 8.230 nan 0.000 0.445 499 L N 5.298 126.508 121.223 -0.022 0.000 2.056 499 L HA 0.191 4.518 4.340 -0.022 0.000 0.202 499 L C 0.270 177.107 176.870 -0.055 0.000 1.086 499 L CA 1.637 56.420 54.840 -0.095 0.000 0.758 499 L CB -0.064 41.847 42.059 -0.246 0.000 0.912 499 L HN 0.405 nan 8.230 nan 0.000 0.446 500 K N -0.218 120.175 120.400 -0.011 0.000 2.375 500 K HA 0.630 4.936 4.320 -0.022 0.000 0.249 500 K C -1.434 175.240 176.600 0.122 0.000 0.942 500 K CA -0.669 55.651 56.287 0.055 0.000 0.806 500 K CB 2.435 34.988 32.500 0.088 0.000 1.227 500 K HN -0.085 nan 8.250 nan 0.000 0.430 501 V N 0.273 120.239 119.914 0.086 0.000 2.483 501 V HA 0.838 4.945 4.120 -0.022 0.000 0.297 501 V C 0.184 176.241 176.094 -0.063 0.000 1.027 501 V CA -0.868 61.471 62.300 0.065 0.000 0.855 501 V CB 1.568 33.429 31.823 0.064 0.000 0.995 501 V HN 0.896 nan 8.190 nan 0.000 0.424 502 G N 3.874 112.498 108.800 -0.295 0.000 2.646 502 G HA2 0.754 4.701 3.960 -0.022 0.000 0.291 502 G HA3 0.754 4.701 3.960 -0.022 0.000 0.291 502 G C -1.563 172.691 174.900 -1.078 0.000 1.445 502 G CA -0.918 43.836 45.100 -0.577 0.000 0.814 502 G HN 0.752 nan 8.290 nan 0.000 0.495 503 R N 0.152 120.178 120.500 -0.790 0.000 2.854 503 R HA 0.688 5.014 4.340 -0.022 0.000 0.271 503 R C -1.500 174.466 176.300 -0.556 0.000 0.994 503 R CA -1.059 54.614 56.100 -0.712 0.000 0.945 503 R CB 1.842 31.719 30.300 -0.705 0.000 1.194 503 R HN 0.484 nan 8.270 nan 0.000 0.476 504 Q N 2.356 121.958 119.800 -0.329 0.000 2.771 504 Q HA 0.239 4.566 4.340 -0.022 0.000 0.247 504 Q C -1.144 174.775 176.000 -0.134 0.000 0.986 504 Q CA -0.560 55.125 55.803 -0.196 0.000 0.713 504 Q CB 0.551 29.170 28.738 -0.198 0.000 1.241 504 Q HN 0.562 nan 8.270 nan 0.000 0.488 505 Y N 0.989 121.286 120.300 -0.004 0.000 2.546 505 Y HA 0.044 4.580 4.550 -0.022 0.000 0.351 505 Y C 1.028 176.902 175.900 -0.042 0.000 1.266 505 Y CA 0.525 58.632 58.100 0.011 0.000 1.487 505 Y CB 0.465 38.924 38.460 -0.002 0.000 1.365 505 Y HN 0.409 nan 8.280 nan 0.000 0.642 506 R N 0.599 121.156 120.500 0.094 0.000 2.771 506 R HA 0.367 4.693 4.340 -0.022 0.000 0.274 506 R C -1.614 174.666 176.300 -0.033 0.000 0.987 506 R CA -0.846 55.248 56.100 -0.010 0.000 0.908 506 R CB 1.649 31.879 30.300 -0.116 0.000 1.213 506 R HN 0.603 nan 8.270 nan 0.000 0.468 507 E N 2.815 122.995 120.200 -0.032 0.000 2.183 507 E HA 0.356 4.693 4.350 -0.022 0.000 0.271 507 E C -2.421 174.151 176.600 -0.047 0.000 0.919 507 E CA -2.326 54.049 56.400 -0.041 0.000 0.781 507 E CB 1.603 31.285 29.700 -0.030 0.000 1.140 507 E HN 0.476 nan 8.360 nan 0.000 0.402 508 P HA -0.115 nan 4.420 nan 0.000 0.267 508 P C 0.850 178.131 177.300 -0.031 0.000 1.175 508 P CA 1.612 64.682 63.100 -0.050 0.000 0.763 508 P CB 0.372 32.045 31.700 -0.045 0.000 0.795 509 G N 0.981 109.766 108.800 -0.026 0.000 2.212 509 G HA2 -0.301 3.646 3.960 -0.022 0.000 0.266 509 G HA3 -0.301 3.646 3.960 -0.022 0.000 0.266 509 G C 0.121 175.022 174.900 0.002 0.000 0.978 509 G CA -0.142 44.952 45.100 -0.010 0.000 0.632 509 G HN 0.616 nan 8.290 nan 0.000 0.537 510 Q N 1.028 120.827 119.800 -0.001 0.000 2.406 510 Q HA 0.268 4.595 4.340 -0.022 0.000 0.242 510 Q C 0.588 176.615 176.000 0.044 0.000 1.036 510 Q CA -0.445 55.368 55.803 0.018 0.000 0.904 510 Q CB 0.654 29.400 28.738 0.012 0.000 1.244 510 Q HN 0.459 nan 8.270 nan 0.000 0.478 511 D N 1.461 121.899 120.400 0.062 0.000 2.096 511 D HA -0.107 4.519 4.640 -0.022 0.000 0.207 511 D C 0.644 177.016 176.300 0.121 0.000 0.976 511 D CA 0.688 54.749 54.000 0.102 0.000 0.875 511 D CB 0.071 40.937 40.800 0.109 0.000 1.009 511 D HN 0.284 nan 8.370 nan 0.000 0.449 512 L N 1.268 122.545 121.223 0.089 0.000 2.410 512 L HA 0.172 4.499 4.340 -0.022 0.000 0.273 512 L C -0.715 176.152 176.870 -0.005 0.000 1.144 512 L CA 0.051 54.880 54.840 -0.018 0.000 0.863 512 L CB 0.983 43.011 42.059 -0.052 0.000 1.140 512 L HN -0.149 nan 8.230 nan 0.000 0.463 513 V N 6.338 126.254 119.914 0.003 0.000 2.564 513 V HA 0.184 4.291 4.120 -0.022 0.000 0.259 513 V C 0.063 176.123 176.094 -0.057 0.000 0.936 513 V CA -0.713 61.590 62.300 0.005 0.000 0.867 513 V CB 1.083 32.949 31.823 0.070 0.000 1.076 513 V HN 0.620 nan 8.190 nan 0.000 0.476 514 V N 4.107 123.989 119.914 -0.054 0.000 2.953 514 V HA 0.019 4.125 4.120 -0.022 0.000 0.304 514 V C 0.116 176.153 176.094 -0.095 0.000 1.138 514 V CA 0.543 62.819 62.300 -0.040 0.000 1.266 514 V CB 1.155 32.959 31.823 -0.032 0.000 0.923 514 V HN 0.659 nan 8.190 nan 0.000 0.505 515 L N 7.710 128.895 121.223 -0.063 0.000 2.343 515 L HA 0.680 5.006 4.340 -0.022 0.000 0.278 515 L C -2.536 174.323 176.870 -0.019 0.000 0.996 515 L CA -1.653 53.136 54.840 -0.085 0.000 0.831 515 L CB 2.211 44.184 42.059 -0.142 0.000 1.232 515 L HN 0.424 nan 8.230 nan 0.000 0.413 516 P HA 0.221 nan 4.420 nan 0.000 0.287 516 P C -1.338 175.941 177.300 -0.035 0.000 1.294 516 P CA -0.313 62.769 63.100 -0.030 0.000 0.776 516 P CB 1.621 33.303 31.700 -0.029 0.000 0.889 517 L N 5.174 126.355 121.223 -0.070 0.000 2.325 517 L HA 0.419 4.746 4.340 -0.022 0.000 0.281 517 L C 0.007 176.758 176.870 -0.199 0.000 1.004 517 L CA -0.236 54.531 54.840 -0.122 0.000 0.823 517 L CB 1.557 43.522 42.059 -0.158 0.000 1.236 517 L HN 0.356 nan 8.230 nan 0.000 0.415 518 T N 3.204 117.636 114.554 -0.204 0.000 2.749 518 T HA 0.527 4.864 4.350 -0.022 0.000 0.295 518 T C 0.379 174.789 174.700 -0.485 0.000 0.936 518 T CA -0.374 61.582 62.100 -0.241 0.000 1.060 518 T CB 0.202 68.989 68.868 -0.136 0.000 0.904 518 T HN 0.448 nan 8.240 nan 0.000 0.500 519 I N 4.176 124.419 120.570 -0.545 0.000 2.363 519 I HA 0.148 4.304 4.170 -0.022 0.000 0.292 519 I C 1.196 177.054 176.117 -0.432 0.000 1.075 519 I CA -0.462 60.312 61.300 -0.876 0.000 1.333 519 I CB 0.541 38.217 38.000 -0.540 0.000 1.415 519 I HN 0.779 nan 8.210 nan 0.000 0.502 520 T N 3.056 117.476 114.554 -0.222 0.000 3.560 520 T HA 0.033 4.370 4.350 -0.022 0.000 0.350 520 T C 1.330 176.123 174.700 0.155 0.000 1.264 520 T CA -0.015 62.156 62.100 0.119 0.000 0.924 520 T CB 0.351 69.388 68.868 0.280 0.000 1.997 520 T HN 0.703 nan 8.240 nan 0.000 0.553 521 S N -0.262 115.521 115.700 0.138 0.000 2.511 521 S HA 0.055 4.512 4.470 -0.022 0.000 0.214 521 S C 0.904 175.552 174.600 0.080 0.000 0.997 521 S CA -0.102 58.150 58.200 0.087 0.000 0.908 521 S CB -0.179 63.050 63.200 0.049 0.000 0.803 521 S HN 0.481 nan 8.310 nan 0.000 0.504 522 D N 1.027 121.474 120.400 0.078 0.000 2.323 522 D HA 0.092 4.719 4.640 -0.022 0.000 0.209 522 D C 0.522 176.721 176.300 -0.169 0.000 0.973 522 D CA 0.653 54.600 54.000 -0.089 0.000 0.874 522 D CB -0.200 40.468 40.800 -0.221 0.000 0.930 522 D HN 0.484 nan 8.370 nan 0.000 0.521 523 F N 0.475 120.354 119.950 -0.118 0.000 2.797 523 F HA 0.131 4.645 4.527 -0.022 0.000 0.302 523 F C 2.006 177.735 175.800 -0.117 0.000 1.130 523 F CA -0.481 57.453 58.000 -0.110 0.000 1.387 523 F CB -0.335 38.545 39.000 -0.200 0.000 1.107 523 F HN -0.185 nan 8.300 nan 0.000 0.577 524 I N 1.550 122.124 120.570 0.008 0.000 2.227 524 I HA -0.303 3.854 4.170 -0.022 0.000 0.250 524 I C -0.267 175.568 176.117 -0.470 0.000 1.087 524 I CA 2.031 63.239 61.300 -0.153 0.000 1.352 524 I CB -0.943 37.003 38.000 -0.090 0.000 1.043 524 I HN -0.012 nan 8.210 nan 0.000 0.425 525 P HA 0.054 nan 4.420 nan 0.000 0.212 525 P C 0.325 177.339 177.300 -0.475 0.000 1.171 525 P CA 0.922 63.395 63.100 -1.045 0.000 0.892 525 P CB 0.461 31.555 31.700 -1.011 0.000 0.769 526 S N -2.206 113.345 115.700 -0.249 0.000 2.656 526 S HA 0.595 5.052 4.470 -0.022 0.000 0.265 526 S C -1.629 172.961 174.600 -0.016 0.000 1.132 526 S CA -0.490 57.562 58.200 -0.247 0.000 0.819 526 S CB 0.730 63.765 63.200 -0.275 0.000 1.119 526 S HN 0.277 nan 8.310 nan 0.000 0.476 527 F N -0.366 119.429 119.950 -0.259 0.000 2.770 527 F HA 0.809 5.323 4.527 -0.022 0.000 0.313 527 F C -1.368 174.369 175.800 -0.106 0.000 1.154 527 F CA -0.982 56.956 58.000 -0.104 0.000 0.923 527 F CB 1.187 40.208 39.000 0.035 0.000 1.301 527 F HN 0.560 nan 8.300 nan 0.000 0.449 528 R N 1.931 122.562 120.500 0.218 0.000 2.686 528 R HA 0.815 5.142 4.340 -0.022 0.000 0.286 528 R C -2.133 174.338 176.300 0.286 0.000 0.969 528 R CA -1.072 55.116 56.100 0.147 0.000 0.898 528 R CB 2.224 32.628 30.300 0.174 0.000 1.183 528 R HN 0.949 nan 8.270 nan 0.000 0.456 529 L N 4.467 125.811 121.223 0.201 0.000 2.356 529 L HA 0.611 4.938 4.340 -0.022 0.000 0.277 529 L C -1.519 175.406 176.870 0.092 0.000 0.996 529 L CA -0.672 54.273 54.840 0.176 0.000 0.822 529 L CB 1.898 44.037 42.059 0.133 0.000 1.256 529 L HN 0.375 nan 8.230 nan 0.000 0.413 530 V N 3.541 123.540 119.914 0.142 0.000 2.715 530 V HA 0.988 5.095 4.120 -0.022 0.000 0.310 530 V C -0.084 176.141 176.094 0.219 0.000 1.054 530 V CA -0.280 62.084 62.300 0.105 0.000 0.928 530 V CB 1.342 33.221 31.823 0.094 0.000 1.007 530 V HN 0.932 nan 8.190 nan 0.000 0.437 531 A N 3.433 126.362 122.820 0.181 0.000 2.547 531 A HA 0.953 5.260 4.320 -0.022 0.000 0.297 531 A C -1.441 176.405 177.584 0.438 0.000 1.056 531 A CA -0.607 51.637 52.037 0.346 0.000 0.688 531 A CB 1.850 21.006 19.000 0.260 0.000 1.282 531 A HN 1.524 nan 8.150 nan 0.000 0.400 532 Y N -0.903 119.654 120.300 0.429 0.000 2.655 532 Y HA 0.839 5.376 4.550 -0.022 0.000 0.336 532 Y C -1.274 174.990 175.900 0.607 0.000 1.154 532 Y CA -1.579 56.790 58.100 0.449 0.000 1.055 532 Y CB 1.172 39.911 38.460 0.465 0.000 1.295 532 Y HN 1.163 nan 8.280 nan 0.000 0.465 533 Y N -1.729 118.857 120.300 0.477 0.000 2.470 533 Y HA 0.696 5.233 4.550 -0.022 0.000 0.341 533 Y C -1.247 174.859 175.900 0.344 0.000 1.021 533 Y CA -1.448 56.835 58.100 0.305 0.000 1.025 533 Y CB 2.007 40.576 38.460 0.182 0.000 1.266 533 Y HN 0.642 nan 8.280 nan 0.000 0.448 534 T N 5.749 120.566 114.554 0.439 0.000 3.383 534 T HA 0.279 4.616 4.350 -0.022 0.000 0.324 534 T C -0.353 174.481 174.700 0.222 0.000 1.822 534 T CA -0.549 61.748 62.100 0.327 0.000 1.424 534 T CB -0.971 68.158 68.868 0.435 0.000 1.093 534 T HN 0.677 nan 8.240 nan 0.000 0.748 535 L N 1.343 122.709 121.223 0.239 0.000 2.477 535 L HA 0.429 4.756 4.340 -0.022 0.000 0.272 535 L C 0.350 177.281 176.870 0.102 0.000 1.157 535 L CA -0.407 54.526 54.840 0.155 0.000 0.889 535 L CB -0.383 41.795 42.059 0.199 0.000 1.158 535 L HN 0.420 nan 8.230 nan 0.000 0.473 536 I N 1.448 122.059 120.570 0.069 0.000 2.483 536 I HA 0.162 4.319 4.170 -0.022 0.000 0.291 536 I C 0.893 177.036 176.117 0.042 0.000 1.112 536 I CA -0.102 61.228 61.300 0.049 0.000 1.350 536 I CB -0.662 37.362 38.000 0.040 0.000 1.419 536 I HN 0.908 nan 8.210 nan 0.000 0.523 537 N N 4.097 122.822 118.700 0.041 0.000 2.065 537 N HA -0.193 4.533 4.740 -0.022 0.000 0.215 537 N C 1.319 176.845 175.510 0.027 0.000 1.319 537 N CA 0.731 53.803 53.050 0.037 0.000 0.876 537 N CB 0.452 38.955 38.487 0.028 0.000 1.041 537 N HN 0.862 nan 8.380 nan 0.000 0.448 538 A N 0.572 123.407 122.820 0.024 0.000 2.119 538 A HA -0.022 4.285 4.320 -0.022 0.000 0.216 538 A C 0.948 178.541 177.584 0.014 0.000 1.152 538 A CA 1.045 53.092 52.037 0.017 0.000 0.708 538 A CB 0.110 19.119 19.000 0.014 0.000 0.805 538 A HN 0.630 nan 8.150 nan 0.000 0.460 539 K N -0.480 119.930 120.400 0.015 0.000 2.699 539 K HA 0.298 4.605 4.320 -0.022 0.000 0.210 539 K C 0.753 177.361 176.600 0.012 0.000 1.076 539 K CA 0.185 56.480 56.287 0.012 0.000 1.109 539 K CB 0.110 32.617 32.500 0.011 0.000 0.862 539 K HN 0.381 nan 8.250 nan 0.000 0.470 540 G N 2.832 111.641 108.800 0.015 0.000 2.420 540 G HA2 -0.339 3.608 3.960 -0.022 0.000 0.305 540 G HA3 -0.339 3.608 3.960 -0.022 0.000 0.305 540 G C -0.081 174.827 174.900 0.013 0.000 0.971 540 G CA 0.779 45.888 45.100 0.015 0.000 0.843 540 G HN 0.571 nan 8.290 nan 0.000 0.512 541 Q N -1.138 118.669 119.800 0.011 0.000 2.282 541 Q HA 0.566 4.892 4.340 -0.022 0.000 0.260 541 Q C 0.065 176.064 176.000 -0.001 0.000 0.964 541 Q CA -1.132 54.672 55.803 0.002 0.000 0.880 541 Q CB 1.747 30.483 28.738 -0.002 0.000 1.286 541 Q HN 0.229 nan 8.270 nan 0.000 0.445 542 R N 2.075 122.566 120.500 -0.016 0.000 3.206 542 R HA 0.007 4.334 4.340 -0.022 0.000 0.209 542 R C -0.174 176.083 176.300 -0.071 0.000 1.632 542 R CA 0.100 56.184 56.100 -0.025 0.000 1.234 542 R CB 0.003 30.282 30.300 -0.035 0.000 1.270 542 R HN 0.629 nan 8.270 nan 0.000 0.665 543 E N 1.493 121.669 120.200 -0.040 0.000 2.373 543 E HA 0.113 4.450 4.350 -0.022 0.000 0.267 543 E C -0.957 175.598 176.600 -0.074 0.000 1.032 543 E CA -0.317 56.043 56.400 -0.066 0.000 0.889 543 E CB 1.026 30.729 29.700 0.006 0.000 0.984 543 E HN 0.075 nan 8.360 nan 0.000 0.425 544 V N 5.133 124.957 119.914 -0.151 0.000 2.487 544 V HA 0.263 4.369 4.120 -0.022 0.000 0.298 544 V C -0.572 175.538 176.094 0.027 0.000 1.028 544 V CA -0.748 61.519 62.300 -0.055 0.000 0.860 544 V CB 1.877 33.615 31.823 -0.143 0.000 0.991 544 V HN 0.510 nan 8.190 nan 0.000 0.427 545 V N 4.491 124.315 119.914 -0.150 0.000 2.459 545 V HA 0.938 5.045 4.120 -0.022 0.000 0.295 545 V C 0.305 176.404 176.094 0.007 0.000 1.029 545 V CA -0.132 62.041 62.300 -0.211 0.000 0.874 545 V CB 1.370 32.673 31.823 -0.867 0.000 0.985 545 V HN 1.038 nan 8.190 nan 0.000 0.438 546 A N 3.611 126.514 122.820 0.140 0.000 2.552 546 A HA 0.949 5.255 4.320 -0.022 0.000 0.288 546 A C -1.112 176.449 177.584 -0.038 0.000 1.193 546 A CA -0.419 51.685 52.037 0.112 0.000 0.713 546 A CB 2.274 21.285 19.000 0.019 0.000 1.305 546 A HN 0.761 nan 8.150 nan 0.000 0.424 547 D N -1.812 118.544 120.400 -0.075 0.000 2.804 547 D HA 0.543 5.170 4.640 -0.022 0.000 0.309 547 D C -1.569 174.677 176.300 -0.091 0.000 1.311 547 D CA 0.728 54.686 54.000 -0.070 0.000 0.765 547 D CB 1.849 42.614 40.800 -0.059 0.000 1.293 547 D HN 1.308 nan 8.370 nan 0.000 0.434 548 S N -0.627 115.042 115.700 -0.051 0.000 2.586 548 S HA 0.637 5.094 4.470 -0.022 0.000 0.277 548 S C -1.615 172.986 174.600 0.001 0.000 1.131 548 S CA -0.734 57.446 58.200 -0.034 0.000 0.848 548 S CB 1.356 64.540 63.200 -0.026 0.000 1.091 548 S HN 0.331 nan 8.310 nan 0.000 0.453 549 V N 0.473 120.389 119.914 0.004 0.000 3.040 549 V HA 0.701 4.808 4.120 -0.022 0.000 0.312 549 V C -1.321 174.782 176.094 0.015 0.000 1.115 549 V CA -0.785 61.524 62.300 0.015 0.000 0.998 549 V CB 1.967 33.772 31.823 -0.029 0.000 1.042 549 V HN 1.033 nan 8.190 nan 0.000 0.433 550 W N 3.206 124.416 121.300 -0.150 0.000 2.314 550 W HA 0.727 5.374 4.660 -0.022 0.000 0.310 550 W C -1.052 175.275 176.519 -0.319 0.000 1.075 550 W CA -0.467 56.755 57.345 -0.206 0.000 1.253 550 W CB 1.277 30.662 29.460 -0.125 0.000 1.238 550 W HN 0.423 nan 8.180 nan 0.000 0.440 551 V N 6.879 126.073 119.914 -1.200 0.000 2.588 551 V HA 0.385 4.491 4.120 -0.022 0.000 0.304 551 V C -0.297 174.888 176.094 -1.515 0.000 1.042 551 V CA -0.971 60.563 62.300 -1.276 0.000 0.877 551 V CB 1.598 32.591 31.823 -1.383 0.000 0.996 551 V HN 0.578 nan 8.190 nan 0.000 0.425 552 D N 3.220 122.913 120.400 -1.178 0.000 2.269 552 D HA 0.631 5.258 4.640 -0.022 0.000 0.244 552 D C -0.164 175.898 176.300 -0.396 0.000 0.992 552 D CA -0.444 53.066 54.000 -0.817 0.000 0.894 552 D CB 2.705 43.066 40.800 -0.732 0.000 1.248 552 D HN 0.537 nan 8.370 nan 0.000 0.468 553 V N -1.034 118.737 119.914 -0.238 0.000 3.267 553 V HA 0.546 4.653 4.120 -0.022 0.000 0.317 553 V C 0.018 176.040 176.094 -0.121 0.000 1.131 553 V CA -1.111 61.113 62.300 -0.126 0.000 1.031 553 V CB 1.045 32.839 31.823 -0.047 0.000 1.159 553 V HN 0.466 nan 8.190 nan 0.000 0.454 554 K N 1.775 122.130 120.400 -0.074 0.000 2.441 554 K HA -0.007 4.299 4.320 -0.022 0.000 0.273 554 K C -0.201 176.375 176.600 -0.040 0.000 1.090 554 K CA 0.977 57.239 56.287 -0.041 0.000 1.158 554 K CB -0.800 31.689 32.500 -0.019 0.000 0.847 554 K HN 0.863 nan 8.250 nan 0.000 0.483 555 D N 2.454 122.851 120.400 -0.005 0.000 2.541 555 D HA 0.021 4.648 4.640 -0.022 0.000 0.231 555 D C -0.189 176.220 176.300 0.183 0.000 1.163 555 D CA 0.183 54.213 54.000 0.050 0.000 1.077 555 D CB -0.023 40.853 40.800 0.127 0.000 1.110 555 D HN 0.523 nan 8.370 nan 0.000 0.499 556 S N 0.991 116.810 115.700 0.198 0.000 3.081 556 S HA 0.641 5.097 4.470 -0.022 0.000 0.316 556 S C -0.184 174.662 174.600 0.411 0.000 1.089 556 S CA -0.744 57.602 58.200 0.243 0.000 0.897 556 S CB 0.958 64.230 63.200 0.120 0.000 1.358 556 S HN 0.457 nan 8.310 nan 0.000 0.678 557 c N 0.120 118.869 118.600 0.249 0.000 2.667 557 c HA 0.734 5.291 4.570 -0.022 0.000 0.323 557 c C 1.487 175.673 174.090 0.161 0.000 1.214 557 c CA -0.707 55.773 56.329 0.251 0.000 1.721 557 c CB 0.453 43.001 42.510 0.063 0.000 2.275 557 c HN 1.005 nan 8.230 nan 0.000 0.491 558 M N 2.009 121.702 119.600 0.156 0.000 2.506 558 M HA 0.280 4.746 4.480 -0.022 0.000 0.260 558 M C 0.872 177.197 176.300 0.041 0.000 1.104 558 M CA 1.163 56.517 55.300 0.090 0.000 1.112 558 M CB -0.298 32.362 32.600 0.100 0.000 1.401 558 M HN 0.872 nan 8.290 nan 0.000 0.473 559 G N 1.975 110.787 108.800 0.019 0.000 2.866 559 G HA2 0.435 4.382 3.960 -0.022 0.000 0.291 559 G HA3 0.435 4.382 3.960 -0.022 0.000 0.291 559 G C -0.186 174.704 174.900 -0.015 0.000 1.476 559 G CA -0.641 44.457 45.100 -0.002 0.000 1.048 559 G HN 0.306 nan 8.290 nan 0.000 0.542 560 T N 0.396 114.943 114.554 -0.012 0.000 2.830 560 T HA 0.156 4.493 4.350 -0.022 0.000 0.282 560 T C 0.115 174.795 174.700 -0.034 0.000 1.024 560 T CA 0.248 62.337 62.100 -0.019 0.000 1.144 560 T CB 0.336 69.193 68.868 -0.017 0.000 1.035 560 T HN 0.353 nan 8.240 nan 0.000 0.507 561 L N 3.497 124.697 121.223 -0.039 0.000 2.482 561 L HA 0.642 4.969 4.340 -0.022 0.000 0.269 561 L C -0.740 176.101 176.870 -0.048 0.000 0.967 561 L CA -1.091 53.718 54.840 -0.052 0.000 0.851 561 L CB 2.039 44.058 42.059 -0.067 0.000 1.242 561 L HN 0.561 nan 8.230 nan 0.000 0.404 562 V N 3.021 122.901 119.914 -0.055 0.000 3.114 562 V HA 0.569 4.676 4.120 -0.022 0.000 0.308 562 V C -0.609 175.432 176.094 -0.088 0.000 1.168 562 V CA -0.756 61.507 62.300 -0.062 0.000 1.015 562 V CB 3.215 35.002 31.823 -0.059 0.000 1.050 562 V HN 0.351 nan 8.190 nan 0.000 0.433 563 V N 2.801 122.646 119.914 -0.115 0.000 2.487 563 V HA 0.641 4.747 4.120 -0.022 0.000 0.298 563 V C -0.273 175.562 176.094 -0.432 0.000 1.028 563 V CA -0.550 61.633 62.300 -0.194 0.000 0.860 563 V CB 1.648 33.413 31.823 -0.097 0.000 0.991 563 V HN 0.916 nan 8.190 nan 0.000 0.427 564 K N 3.441 123.567 120.400 -0.457 0.000 2.480 564 K HA 0.465 4.772 4.320 -0.022 0.000 0.258 564 K C -0.754 175.584 176.600 -0.437 0.000 0.990 564 K CA -0.816 55.148 56.287 -0.540 0.000 0.857 564 K CB 2.421 34.764 32.500 -0.263 0.000 1.384 564 K HN 0.604 nan 8.250 nan 0.000 0.446 565 N N -0.379 118.128 118.700 -0.322 0.000 2.317 565 N HA 0.156 4.883 4.740 -0.022 0.000 0.245 565 N C 0.474 175.955 175.510 -0.048 0.000 1.294 565 N CA 0.728 53.728 53.050 -0.083 0.000 0.924 565 N CB 1.257 39.788 38.487 0.073 0.000 1.186 565 N HN 0.789 nan 8.380 nan 0.000 0.495 566 G N -1.290 107.511 108.800 0.001 0.000 2.853 566 G HA2 0.152 4.098 3.960 -0.022 0.000 0.202 566 G HA3 0.152 4.098 3.960 -0.022 0.000 0.202 566 G C 0.228 175.140 174.900 0.019 0.000 1.118 566 G CA 0.122 45.220 45.100 -0.003 0.000 0.831 566 G HN 0.584 nan 8.290 nan 0.000 0.613 567 G N 1.021 109.847 108.800 0.043 0.000 2.800 567 G HA2 0.465 4.412 3.960 -0.022 0.000 0.340 567 G HA3 0.465 4.412 3.960 -0.022 0.000 0.340 567 G C -0.257 174.690 174.900 0.079 0.000 1.089 567 G CA -0.483 44.649 45.100 0.053 0.000 1.144 567 G HN 0.316 nan 8.290 nan 0.000 0.461 568 K N 1.445 121.885 120.400 0.066 0.000 2.561 568 K HA 0.134 4.441 4.320 -0.022 0.000 0.280 568 K C -0.090 176.558 176.600 0.079 0.000 0.975 568 K CA 0.451 56.786 56.287 0.080 0.000 1.024 568 K CB 0.576 33.108 32.500 0.054 0.000 0.883 568 K HN 0.478 nan 8.250 nan 0.000 0.496 569 E N 1.862 122.109 120.200 0.078 0.000 2.352 569 E HA 0.183 4.520 4.350 -0.022 0.000 0.280 569 E C -1.166 175.374 176.600 -0.099 0.000 0.930 569 E CA -0.630 55.763 56.400 -0.012 0.000 0.765 569 E CB 1.041 30.712 29.700 -0.047 0.000 1.219 569 E HN 0.676 nan 8.360 nan 0.000 0.434 570 E N 1.768 121.914 120.200 -0.089 0.000 2.569 570 E HA -0.013 4.324 4.350 -0.022 0.000 0.258 570 E C -0.007 176.501 176.600 -0.153 0.000 1.390 570 E CA 0.028 56.386 56.400 -0.070 0.000 1.049 570 E CB 0.546 30.246 29.700 0.000 0.000 1.009 570 E HN 0.416 nan 8.360 nan 0.000 0.580 571 K N 0.897 121.235 120.400 -0.104 0.000 2.773 571 K HA -0.082 4.224 4.320 -0.022 0.000 0.222 571 K C -0.707 175.735 176.600 -0.263 0.000 0.985 571 K CA 0.531 56.730 56.287 -0.146 0.000 1.126 571 K CB -0.240 32.166 32.500 -0.156 0.000 0.919 571 K HN 0.251 nan 8.250 nan 0.000 0.487 572 H N 0.169 119.179 119.070 -0.101 0.000 3.172 572 H HA 0.221 4.764 4.556 -0.022 0.000 0.322 572 H C -1.050 174.209 175.328 -0.115 0.000 1.003 572 H CA -0.613 55.411 56.048 -0.040 0.000 1.466 572 H CB 0.557 30.311 29.762 -0.012 0.000 1.673 572 H HN 0.197 nan 8.280 nan 0.000 0.512 573 H N 1.727 120.935 119.070 0.230 0.000 2.529 573 H HA 0.316 4.859 4.556 -0.022 0.000 0.348 573 H C 0.173 175.612 175.328 0.185 0.000 1.152 573 H CA -0.680 55.482 56.048 0.190 0.000 1.202 573 H CB 2.619 32.495 29.762 0.191 0.000 1.562 573 H HN 0.408 nan 8.280 nan 0.000 0.515 574 R N 3.327 124.000 120.500 0.289 0.000 2.297 574 R HA 0.233 4.560 4.340 -0.022 0.000 0.308 574 R C -2.451 173.982 176.300 0.222 0.000 1.029 574 R CA -1.613 54.616 56.100 0.216 0.000 0.929 574 R CB 0.637 31.033 30.300 0.160 0.000 1.046 574 R HN 0.366 nan 8.270 nan 0.000 0.461 575 P HA -0.081 nan 4.420 nan 0.000 0.266 575 P C 0.385 177.776 177.300 0.152 0.000 1.193 575 P CA 1.277 64.497 63.100 0.200 0.000 0.770 575 P CB 0.738 32.570 31.700 0.219 0.000 0.836 576 G N 1.199 110.065 108.800 0.110 0.000 2.609 576 G HA2 -0.356 3.591 3.960 -0.022 0.000 0.235 576 G HA3 -0.356 3.591 3.960 -0.022 0.000 0.235 576 G C 0.458 175.446 174.900 0.147 0.000 1.177 576 G CA 0.625 45.775 45.100 0.085 0.000 0.707 576 G HN 0.821 nan 8.290 nan 0.000 0.513 577 Q N 1.451 121.353 119.800 0.169 0.000 2.375 577 Q HA 0.102 4.428 4.340 -0.022 0.000 0.344 577 Q C 0.550 176.687 176.000 0.228 0.000 1.169 577 Q CA 0.993 56.916 55.803 0.200 0.000 1.035 577 Q CB 0.205 29.067 28.738 0.206 0.000 1.222 577 Q HN 0.695 nan 8.270 nan 0.000 0.412 578 Q N 2.998 122.942 119.800 0.241 0.000 2.260 578 Q HA 0.572 4.899 4.340 -0.022 0.000 0.242 578 Q C -1.047 174.997 176.000 0.073 0.000 0.932 578 Q CA -0.395 55.490 55.803 0.137 0.000 0.891 578 Q CB 0.837 29.635 28.738 0.101 0.000 1.222 578 Q HN 0.707 nan 8.270 nan 0.000 0.453 579 I N 1.384 121.946 120.570 -0.013 0.000 2.775 579 I HA 0.186 4.343 4.170 -0.022 0.000 0.295 579 I C -0.666 175.439 176.117 -0.021 0.000 1.287 579 I CA -0.599 60.722 61.300 0.034 0.000 1.029 579 I CB 2.595 40.638 38.000 0.072 0.000 1.282 579 I HN 0.625 nan 8.210 nan 0.000 0.426 580 T N 6.110 120.667 114.554 0.006 0.000 2.929 580 T HA 0.779 5.115 4.350 -0.022 0.000 0.284 580 T C -0.968 173.733 174.700 0.002 0.000 1.014 580 T CA -0.322 61.766 62.100 -0.020 0.000 1.051 580 T CB 0.841 69.698 68.868 -0.019 0.000 1.028 580 T HN 0.371 nan 8.240 nan 0.000 0.485 581 L N 3.098 124.308 121.223 -0.022 0.000 2.381 581 L HA 0.580 4.907 4.340 -0.022 0.000 0.268 581 L C -0.380 176.448 176.870 -0.069 0.000 0.997 581 L CA -1.070 53.747 54.840 -0.039 0.000 0.818 581 L CB 2.212 44.259 42.059 -0.019 0.000 1.310 581 L HN 0.568 nan 8.230 nan 0.000 0.416 582 K N 3.470 123.804 120.400 -0.109 0.000 2.264 582 K HA 0.558 4.865 4.320 -0.022 0.000 0.277 582 K C -1.078 175.457 176.600 -0.109 0.000 1.067 582 K CA -0.199 56.028 56.287 -0.099 0.000 0.900 582 K CB 0.578 33.017 32.500 -0.102 0.000 1.124 582 K HN 0.455 nan 8.250 nan 0.000 0.469 583 I N 4.664 125.185 120.570 -0.081 0.000 2.330 583 I HA 0.188 4.345 4.170 -0.022 0.000 0.286 583 I C -0.362 175.715 176.117 -0.067 0.000 1.025 583 I CA -0.576 60.677 61.300 -0.077 0.000 1.197 583 I CB 1.385 39.345 38.000 -0.067 0.000 1.358 583 I HN 0.505 nan 8.210 nan 0.000 0.467 584 E N 6.221 126.380 120.200 -0.068 0.000 2.115 584 E HA 0.701 5.038 4.350 -0.022 0.000 0.282 584 E C -0.474 176.094 176.600 -0.053 0.000 0.987 584 E CA -0.479 55.887 56.400 -0.057 0.000 0.797 584 E CB 1.851 31.518 29.700 -0.056 0.000 1.086 584 E HN 0.709 nan 8.360 nan 0.000 0.397 585 A N 3.572 126.362 122.820 -0.049 0.000 2.532 585 A HA 0.483 4.790 4.320 -0.022 0.000 0.290 585 A C -1.007 176.551 177.584 -0.042 0.000 1.143 585 A CA -0.951 51.057 52.037 -0.049 0.000 0.728 585 A CB 1.170 20.137 19.000 -0.056 0.000 1.317 585 A HN 0.538 nan 8.150 nan 0.000 0.414 586 D N 0.579 120.954 120.400 -0.041 0.000 2.371 586 D HA 0.352 4.979 4.640 -0.022 0.000 0.242 586 D C 0.467 176.745 176.300 -0.037 0.000 1.218 586 D CA 0.037 54.016 54.000 -0.035 0.000 0.945 586 D CB 0.355 41.136 40.800 -0.032 0.000 1.137 586 D HN 0.598 nan 8.370 nan 0.000 0.464 587 Q N -0.029 119.751 119.800 -0.033 0.000 2.432 587 Q HA 0.210 4.536 4.340 -0.022 0.000 0.264 587 Q C 0.900 176.874 176.000 -0.042 0.000 1.035 587 Q CA 0.319 56.101 55.803 -0.036 0.000 0.908 587 Q CB 0.435 29.153 28.738 -0.033 0.000 1.280 587 Q HN 0.713 nan 8.270 nan 0.000 0.455 588 G N 1.639 110.410 108.800 -0.048 0.000 2.280 588 G HA2 -0.333 3.614 3.960 -0.022 0.000 0.282 588 G HA3 -0.333 3.614 3.960 -0.022 0.000 0.282 588 G C 0.182 175.049 174.900 -0.055 0.000 1.000 588 G CA 0.491 45.554 45.100 -0.060 0.000 0.751 588 G HN 0.915 nan 8.290 nan 0.000 0.515 589 A N -0.479 122.313 122.820 -0.047 0.000 2.351 589 A HA 0.771 5.078 4.320 -0.022 0.000 0.257 589 A C 0.626 178.186 177.584 -0.040 0.000 1.087 589 A CA -0.229 51.781 52.037 -0.045 0.000 0.798 589 A CB 0.527 19.495 19.000 -0.052 0.000 1.033 589 A HN 0.346 nan 8.150 nan 0.000 0.488 590 R N 0.936 121.416 120.500 -0.034 0.000 2.437 590 R HA 0.530 4.857 4.340 -0.022 0.000 0.310 590 R C -1.188 175.082 176.300 -0.050 0.000 0.955 590 R CA -0.550 55.536 56.100 -0.023 0.000 0.851 590 R CB 1.088 31.399 30.300 0.020 0.000 1.161 590 R HN 0.431 nan 8.270 nan 0.000 0.446 591 V N 0.671 120.549 119.914 -0.061 0.000 2.630 591 V HA 0.696 4.803 4.120 -0.022 0.000 0.305 591 V C 0.746 176.786 176.094 -0.090 0.000 1.046 591 V CA -1.026 61.224 62.300 -0.083 0.000 0.934 591 V CB 2.105 33.878 31.823 -0.083 0.000 1.003 591 V HN 0.851 nan 8.190 nan 0.000 0.451 592 G N 3.252 111.997 108.800 -0.092 0.000 2.422 592 G HA2 0.683 4.630 3.960 -0.022 0.000 0.317 592 G HA3 0.683 4.630 3.960 -0.022 0.000 0.317 592 G C -1.036 173.785 174.900 -0.132 0.000 1.210 592 G CA -0.480 44.550 45.100 -0.116 0.000 0.930 592 G HN 0.560 nan 8.290 nan 0.000 0.468 593 L N 2.020 123.125 121.223 -0.196 0.000 2.334 593 L HA 0.763 5.089 4.340 -0.022 0.000 0.276 593 L C -0.619 176.177 176.870 -0.122 0.000 1.014 593 L CA -1.192 53.560 54.840 -0.147 0.000 0.815 593 L CB 2.338 44.310 42.059 -0.145 0.000 1.268 593 L HN 0.194 nan 8.230 nan 0.000 0.428 594 V N 1.361 121.233 119.914 -0.070 0.000 2.697 594 V HA 0.556 4.663 4.120 -0.022 0.000 0.300 594 V C -0.244 175.747 176.094 -0.172 0.000 1.115 594 V CA -0.629 61.681 62.300 0.017 0.000 0.912 594 V CB 1.724 33.681 31.823 0.223 0.000 1.024 594 V HN 0.876 nan 8.190 nan 0.000 0.431 595 A N 4.239 126.779 122.820 -0.466 0.000 2.310 595 A HA 0.970 5.277 4.320 -0.022 0.000 0.299 595 A C -0.563 176.865 177.584 -0.259 0.000 1.147 595 A CA -0.456 51.163 52.037 -0.697 0.000 0.818 595 A CB 1.396 19.185 19.000 -2.018 0.000 1.096 595 A HN 0.920 nan 8.150 nan 0.000 0.495 596 V N 1.249 121.252 119.914 0.148 0.000 3.188 596 V HA 0.314 4.420 4.120 -0.022 0.000 0.305 596 V C -0.588 175.836 176.094 0.550 0.000 1.232 596 V CA -0.914 61.603 62.300 0.361 0.000 1.043 596 V CB 2.085 34.032 31.823 0.206 0.000 1.068 596 V HN 1.026 nan 8.190 nan 0.000 0.439 597 D N 1.095 121.698 120.400 0.337 0.000 2.341 597 D HA 0.154 4.780 4.640 -0.022 0.000 0.245 597 D C 0.652 176.945 176.300 -0.012 0.000 1.106 597 D CA -0.187 53.798 54.000 -0.024 0.000 0.905 597 D CB 1.743 42.535 40.800 -0.013 0.000 1.202 597 D HN 0.650 nan 8.370 nan 0.000 0.426 598 K N 2.022 122.377 120.400 -0.075 0.000 2.103 598 K HA -0.038 4.268 4.320 -0.022 0.000 0.204 598 K C 1.832 178.430 176.600 -0.002 0.000 1.052 598 K CA 1.007 57.291 56.287 -0.006 0.000 0.945 598 K CB -0.424 32.053 32.500 -0.039 0.000 0.722 598 K HN 0.573 nan 8.250 nan 0.000 0.443 599 G N 0.320 109.115 108.800 -0.007 0.000 2.549 599 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.222 599 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.222 599 G C 1.196 175.881 174.900 -0.359 0.000 1.100 599 G CA 1.112 46.239 45.100 0.044 0.000 0.739 599 G HN 0.237 nan 8.290 nan 0.000 0.577 600 V N -0.964 118.634 119.914 -0.525 0.000 2.788 600 V HA 0.190 4.297 4.120 -0.022 0.000 0.241 600 V C 2.014 177.956 176.094 -0.254 0.000 1.083 600 V CA 0.350 62.273 62.300 -0.627 0.000 1.103 600 V CB -0.459 30.941 31.823 -0.705 0.000 0.800 600 V HN 0.284 nan 8.190 nan 0.000 0.476 601 F N 0.980 120.804 119.950 -0.211 0.000 2.287 601 F HA -0.162 4.352 4.527 -0.022 0.000 0.301 601 F C 1.858 177.606 175.800 -0.086 0.000 1.069 601 F CA 1.565 59.497 58.000 -0.114 0.000 1.372 601 F CB 0.173 39.133 39.000 -0.067 0.000 1.056 601 F HN -0.006 nan 8.300 nan 0.000 0.523 602 V N -1.047 118.849 119.914 -0.030 0.000 3.565 602 V HA -0.065 4.042 4.120 -0.022 0.000 0.260 602 V C 1.885 177.928 176.094 -0.084 0.000 1.231 602 V CA 0.385 62.663 62.300 -0.037 0.000 1.100 602 V CB 0.064 31.909 31.823 0.037 0.000 0.807 602 V HN 0.212 nan 8.190 nan 0.000 0.454 603 L N 0.758 121.910 121.223 -0.118 0.000 1.915 603 L HA -0.069 4.258 4.340 -0.022 0.000 0.225 603 L C 1.213 178.030 176.870 -0.088 0.000 1.084 603 L CA 2.012 56.788 54.840 -0.105 0.000 0.788 603 L CB -0.385 41.571 42.059 -0.171 0.000 0.892 603 L HN 0.330 nan 8.230 nan 0.000 0.434 604 N N -0.551 118.081 118.700 -0.113 0.000 2.816 604 N HA 0.126 4.853 4.740 -0.022 0.000 0.236 604 N C 0.511 175.962 175.510 -0.099 0.000 1.076 604 N CA 0.004 53.009 53.050 -0.075 0.000 0.902 604 N CB 0.802 39.260 38.487 -0.049 0.000 1.149 604 N HN 0.251 nan 8.380 nan 0.000 0.506 605 K N 1.348 121.691 120.400 -0.095 0.000 2.097 605 K HA -0.145 4.162 4.320 -0.022 0.000 0.205 605 K C 1.637 178.195 176.600 -0.071 0.000 1.050 605 K CA 1.106 57.323 56.287 -0.118 0.000 0.938 605 K CB 0.177 32.617 32.500 -0.101 0.000 0.718 605 K HN 0.477 nan 8.250 nan 0.000 0.442 606 K N 0.682 121.067 120.400 -0.025 0.000 2.218 606 K HA -0.151 4.156 4.320 -0.022 0.000 0.205 606 K C 1.123 177.734 176.600 0.020 0.000 1.046 606 K CA 1.599 57.889 56.287 0.006 0.000 0.933 606 K CB -0.227 32.286 32.500 0.023 0.000 0.728 606 K HN 0.044 nan 8.250 nan 0.000 0.454 607 N N 1.595 120.303 118.700 0.013 0.000 2.398 607 N HA -0.018 4.709 4.740 -0.022 0.000 0.188 607 N C -0.270 175.256 175.510 0.028 0.000 1.122 607 N CA 0.441 53.520 53.050 0.048 0.000 0.866 607 N CB 0.244 38.778 38.487 0.079 0.000 0.970 607 N HN 0.494 nan 8.380 nan 0.000 0.462 608 K N 0.442 120.818 120.400 -0.040 0.000 2.143 608 K HA 0.292 4.598 4.320 -0.022 0.000 0.272 608 K C -0.217 176.372 176.600 -0.018 0.000 1.001 608 K CA -0.528 55.714 56.287 -0.075 0.000 0.915 608 K CB 1.475 33.813 32.500 -0.270 0.000 1.047 608 K HN -0.127 nan 8.250 nan 0.000 0.458 609 L N 2.298 123.540 121.223 0.030 0.000 2.349 609 L HA 0.218 4.545 4.340 -0.022 0.000 0.275 609 L C -0.019 176.859 176.870 0.012 0.000 1.115 609 L CA 0.013 54.877 54.840 0.040 0.000 0.820 609 L CB 1.556 43.663 42.059 0.080 0.000 1.135 609 L HN 0.910 nan 8.230 nan 0.000 0.445 610 T N 1.586 116.126 114.554 -0.023 0.000 2.916 610 T HA 0.162 4.498 4.350 -0.022 0.000 0.305 610 T C 0.488 175.117 174.700 -0.118 0.000 1.119 610 T CA -0.530 61.552 62.100 -0.029 0.000 1.008 610 T CB 1.820 70.693 68.868 0.008 0.000 1.129 610 T HN 0.602 nan 8.240 nan 0.000 0.480 611 Q N 1.792 121.500 119.800 -0.152 0.000 2.135 611 Q HA -0.115 4.212 4.340 -0.022 0.000 0.204 611 Q C 2.147 177.960 176.000 -0.313 0.000 0.981 611 Q CA 1.398 57.005 55.803 -0.326 0.000 0.856 611 Q CB -0.147 28.464 28.738 -0.212 0.000 0.902 611 Q HN 0.643 nan 8.270 nan 0.000 0.425 612 R N 0.985 121.467 120.500 -0.030 0.000 2.096 612 R HA -0.181 4.146 4.340 -0.022 0.000 0.240 612 R C 2.078 178.424 176.300 0.075 0.000 1.139 612 R CA 1.754 57.931 56.100 0.129 0.000 0.952 612 R CB 0.053 30.436 30.300 0.138 0.000 0.854 612 R HN 0.126 nan 8.270 nan 0.000 0.436 613 K N 0.432 120.836 120.400 0.006 0.000 2.057 613 K HA -0.132 4.175 4.320 -0.022 0.000 0.207 613 K C 2.142 178.743 176.600 0.002 0.000 1.049 613 K CA 1.744 58.051 56.287 0.034 0.000 0.931 613 K CB -0.329 32.193 32.500 0.037 0.000 0.714 613 K HN 0.431 nan 8.250 nan 0.000 0.440 614 I N -2.277 118.165 120.570 -0.213 0.000 2.614 614 I HA -0.167 3.990 4.170 -0.022 0.000 0.258 614 I C 1.578 177.546 176.117 -0.248 0.000 1.189 614 I CA 1.108 62.201 61.300 -0.345 0.000 1.462 614 I CB -0.355 36.995 38.000 -1.083 0.000 1.092 614 I HN 0.201 nan 8.210 nan 0.000 0.442 615 W N 1.996 123.296 121.300 -0.001 0.000 2.407 615 W HA -0.111 4.536 4.660 -0.022 0.000 0.305 615 W C 2.323 178.909 176.519 0.112 0.000 1.196 615 W CA 0.520 57.891 57.345 0.044 0.000 1.311 615 W CB -0.257 29.237 29.460 0.057 0.000 1.135 615 W HN 0.119 nan 8.180 nan 0.000 0.514 616 D N 0.318 120.909 120.400 0.319 0.000 2.239 616 D HA -0.184 4.442 4.640 -0.022 0.000 0.202 616 D C 2.071 178.527 176.300 0.260 0.000 0.993 616 D CA 1.482 55.638 54.000 0.260 0.000 0.874 616 D CB -0.527 40.392 40.800 0.199 0.000 0.922 616 D HN 0.081 nan 8.370 nan 0.000 0.464 617 V N 0.762 120.839 119.914 0.270 0.000 2.307 617 V HA -0.211 3.895 4.120 -0.022 0.000 0.245 617 V C 2.634 178.962 176.094 0.390 0.000 1.045 617 V CA 1.350 63.846 62.300 0.326 0.000 1.024 617 V CB -0.451 31.592 31.823 0.367 0.000 0.651 617 V HN 0.082 nan 8.190 nan 0.000 0.449 618 V N -0.577 119.539 119.914 0.337 0.000 2.300 618 V HA -0.143 3.964 4.120 -0.022 0.000 0.241 618 V C 2.305 178.629 176.094 0.383 0.000 1.034 618 V CA 1.753 64.303 62.300 0.417 0.000 1.021 618 V CB -0.859 31.186 31.823 0.370 0.000 0.662 618 V HN 0.537 nan 8.190 nan 0.000 0.458 619 E N 1.092 121.511 120.200 0.365 0.000 2.048 619 E HA -0.286 4.050 4.350 -0.022 0.000 0.202 619 E C 2.021 178.774 176.600 0.256 0.000 1.021 619 E CA 1.867 58.456 56.400 0.316 0.000 0.825 619 E CB -0.137 29.761 29.700 0.330 0.000 0.756 619 E HN 0.559 nan 8.360 nan 0.000 0.454 620 K N -0.581 119.961 120.400 0.235 0.000 2.555 620 K HA 0.012 4.319 4.320 -0.022 0.000 0.193 620 K C 0.742 177.449 176.600 0.179 0.000 1.032 620 K CA 0.262 56.654 56.287 0.174 0.000 1.004 620 K CB 0.522 33.116 32.500 0.156 0.000 0.804 620 K HN 0.133 nan 8.250 nan 0.000 0.496 621 A N 1.009 123.968 122.820 0.232 0.000 2.185 621 A HA 0.049 4.356 4.320 -0.022 0.000 0.208 621 A C 0.992 178.705 177.584 0.216 0.000 2.237 621 A CA -0.145 52.025 52.037 0.221 0.000 1.587 621 A CB -0.378 18.794 19.000 0.287 0.000 1.091 621 A HN 0.014 nan 8.150 nan 0.000 0.449 622 D N 0.428 120.993 120.400 0.276 0.000 2.382 622 D HA -0.201 4.426 4.640 -0.022 0.000 0.194 622 D C 1.103 177.549 176.300 0.243 0.000 1.026 622 D CA 1.366 55.533 54.000 0.279 0.000 0.913 622 D CB -0.611 40.466 40.800 0.461 0.000 0.894 622 D HN 0.426 nan 8.370 nan 0.000 0.453 623 I N 0.068 120.776 120.570 0.230 0.000 3.632 623 I HA -0.151 4.006 4.170 -0.022 0.000 0.263 623 I C 1.452 177.662 176.117 0.155 0.000 1.338 623 I CA 1.080 62.497 61.300 0.196 0.000 1.266 623 I CB 0.536 38.647 38.000 0.185 0.000 1.369 623 I HN 0.015 nan 8.210 nan 0.000 0.650 624 G N 2.716 111.600 108.800 0.140 0.000 3.820 624 G HA2 0.387 4.334 3.960 -0.022 0.000 0.293 624 G HA3 0.387 4.334 3.960 -0.022 0.000 0.293 624 G C -0.133 174.820 174.900 0.089 0.000 1.152 624 G CA 0.144 45.313 45.100 0.116 0.000 0.921 624 G HN 0.844 nan 8.290 nan 0.000 0.544 625 c N -1.507 117.137 118.600 0.073 0.000 0.168 625 c HA -0.076 4.481 4.570 -0.022 0.000 0.017 625 c C 1.153 175.249 174.090 0.010 0.000 0.171 625 c CA 0.070 56.421 56.329 0.036 0.000 0.499 625 c CB -1.384 41.148 42.510 0.038 0.000 3.212 625 c HN 1.887 nan 8.230 nan 0.000 1.118 626 T N 1.869 116.405 114.554 -0.030 0.000 0.551 626 T HA -0.120 4.217 4.350 -0.022 0.000 0.773 626 T C -0.755 173.888 174.700 -0.095 0.000 0.992 626 T CA 0.982 63.039 62.100 -0.071 0.000 4.070 626 T CB 0.142 68.983 68.868 -0.046 0.000 2.299 626 T HN 0.949 nan 8.240 nan 0.000 0.397 627 P HA 0.230 nan 4.420 nan 0.000 0.261 627 P C 1.265 178.518 177.300 -0.078 0.000 1.268 627 P CA 0.675 63.661 63.100 -0.189 0.000 0.833 627 P CB -0.093 31.351 31.700 -0.427 0.000 1.231 628 G N 1.324 110.054 108.800 -0.116 0.000 2.441 628 G HA2 0.144 4.091 3.960 -0.022 0.000 0.258 628 G HA3 0.144 4.091 3.960 -0.022 0.000 0.258 628 G C 1.182 176.067 174.900 -0.026 0.000 1.487 628 G CA 0.792 45.822 45.100 -0.116 0.000 1.058 628 G HN 0.284 nan 8.290 nan 0.000 0.552 629 S N -2.207 113.494 115.700 0.002 0.000 2.694 629 S HA 0.549 5.006 4.470 -0.022 0.000 0.225 629 S C 0.955 175.646 174.600 0.152 0.000 1.012 629 S CA 1.000 59.245 58.200 0.075 0.000 0.896 629 S CB 0.146 63.403 63.200 0.096 0.000 0.838 629 S HN 2.374 nan 8.310 nan 0.000 0.604 630 G N 0.854 109.861 108.800 0.345 0.000 2.453 630 G HA2 0.164 4.111 3.960 -0.022 0.000 0.665 630 G HA3 0.164 4.111 3.960 -0.022 0.000 0.665 630 G C -1.420 173.702 174.900 0.371 0.000 1.411 630 G CA -1.227 44.190 45.100 0.528 0.000 0.889 630 G HN 0.462 nan 8.290 nan 0.000 0.651 631 R N 1.810 122.268 120.500 -0.071 0.000 2.242 631 R HA 0.469 4.795 4.340 -0.022 0.000 0.334 631 R C 0.756 176.743 176.300 -0.520 0.000 1.071 631 R CA 0.370 56.172 56.100 -0.497 0.000 0.922 631 R CB 0.022 29.824 30.300 -0.830 0.000 1.023 631 R HN 0.866 nan 8.270 nan 0.000 0.458 632 N N 0.270 118.367 118.700 -1.005 0.000 6.320 632 N HA -0.316 4.411 4.740 -0.022 0.000 0.402 632 N C 0.523 175.818 175.510 -0.358 0.000 1.032 632 N CA 0.897 53.344 53.050 -1.006 0.000 2.000 632 N CB -0.528 37.632 38.487 -0.545 0.000 0.715 632 N HN 0.732 nan 8.380 nan 0.000 0.530 633 Y N -2.562 117.719 120.300 -0.032 0.000 2.181 633 Y HA 0.112 4.648 4.550 -0.022 0.000 0.288 633 Y C 2.124 178.247 175.900 0.372 0.000 1.146 633 Y CA 1.156 59.452 58.100 0.327 0.000 1.164 633 Y CB -0.763 37.881 38.460 0.307 0.000 0.982 633 Y HN 0.628 nan 8.280 nan 0.000 0.515 634 A N 1.697 124.087 122.820 -0.717 0.000 1.865 634 A HA -0.063 4.244 4.320 -0.022 0.000 0.217 634 A C 2.527 180.069 177.584 -0.070 0.000 1.191 634 A CA 2.027 53.823 52.037 -0.402 0.000 0.623 634 A CB -1.729 16.941 19.000 -0.551 0.000 0.826 634 A HN 0.637 nan 8.150 nan 0.000 0.444 635 G N -0.454 108.272 108.800 -0.124 0.000 2.514 635 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.217 635 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.217 635 G C 1.549 176.502 174.900 0.089 0.000 1.198 635 G CA 1.521 46.607 45.100 -0.024 0.000 0.780 635 G HN 0.354 nan 8.290 nan 0.000 0.565 636 V N 0.421 120.396 119.914 0.101 0.000 2.282 636 V HA -0.192 3.914 4.120 -0.022 0.000 0.249 636 V C 2.563 178.651 176.094 -0.010 0.000 1.057 636 V CA 1.992 64.325 62.300 0.056 0.000 1.032 636 V CB -0.669 31.152 31.823 -0.002 0.000 0.645 636 V HN 0.325 nan 8.190 nan 0.000 0.447 637 F N 1.154 121.157 119.950 0.088 0.000 2.051 637 F HA -0.210 4.304 4.527 -0.022 0.000 0.296 637 F C 2.920 178.756 175.800 0.060 0.000 1.122 637 F CA 2.102 60.148 58.000 0.077 0.000 1.201 637 F CB -1.395 37.636 39.000 0.053 0.000 0.978 637 F HN 0.288 nan 8.300 nan 0.000 0.472 638 T N -2.445 112.248 114.554 0.232 0.000 2.759 638 T HA -0.204 4.133 4.350 -0.022 0.000 0.269 638 T C 1.509 176.275 174.700 0.111 0.000 1.042 638 T CA 1.707 63.887 62.100 0.134 0.000 1.140 638 T CB -0.638 68.273 68.868 0.073 0.000 0.864 638 T HN 0.100 nan 8.240 nan 0.000 0.455 639 D N 2.055 122.519 120.400 0.107 0.000 2.218 639 D HA 0.079 4.706 4.640 -0.022 0.000 0.204 639 D C 1.949 178.301 176.300 0.087 0.000 0.976 639 D CA 1.291 55.345 54.000 0.090 0.000 0.853 639 D CB -0.361 40.496 40.800 0.095 0.000 0.939 639 D HN 0.678 nan 8.370 nan 0.000 0.481 640 A N -0.901 121.980 122.820 0.103 0.000 2.390 640 A HA 0.530 4.837 4.320 -0.022 0.000 0.232 640 A C 1.363 179.029 177.584 0.136 0.000 1.233 640 A CA 0.584 52.690 52.037 0.116 0.000 0.907 640 A CB 0.303 19.368 19.000 0.109 0.000 0.967 640 A HN 0.160 nan 8.150 nan 0.000 0.512 641 G N -0.488 108.393 108.800 0.135 0.000 2.215 641 G HA2 -0.120 3.826 3.960 -0.022 0.000 0.198 641 G HA3 -0.120 3.826 3.960 -0.022 0.000 0.198 641 G C -0.320 174.672 174.900 0.152 0.000 1.047 641 G CA 0.100 45.280 45.100 0.134 0.000 0.747 641 G HN 0.412 nan 8.290 nan 0.000 0.495 642 L N -0.007 121.329 121.223 0.188 0.000 2.301 642 L HA 0.972 5.298 4.340 -0.022 0.000 0.264 642 L C 0.331 177.291 176.870 0.151 0.000 1.016 642 L CA -0.496 54.477 54.840 0.222 0.000 0.821 642 L CB 2.653 44.969 42.059 0.429 0.000 1.346 642 L HN 0.572 nan 8.230 nan 0.000 0.429 643 T N 0.003 114.594 114.554 0.061 0.000 4.054 643 T HA 0.565 4.902 4.350 -0.022 0.000 0.353 643 T C -1.171 173.470 174.700 -0.098 0.000 0.979 643 T CA -0.585 61.494 62.100 -0.035 0.000 1.047 643 T CB 0.199 69.060 68.868 -0.012 0.000 1.121 643 T HN 0.378 nan 8.240 nan 0.000 0.469 644 L N 2.246 123.338 121.223 -0.218 0.000 2.409 644 L HA 0.763 5.090 4.340 -0.022 0.000 0.262 644 L C -0.642 176.105 176.870 -0.205 0.000 0.992 644 L CA -1.166 53.548 54.840 -0.210 0.000 0.817 644 L CB 2.803 44.691 42.059 -0.285 0.000 1.350 644 L HN 0.819 nan 8.230 nan 0.000 0.411 645 K N 0.838 121.155 120.400 -0.138 0.000 2.259 645 K HA 0.794 5.100 4.320 -0.022 0.000 0.252 645 K C -0.706 175.823 176.600 -0.119 0.000 0.936 645 K CA -0.336 55.884 56.287 -0.111 0.000 0.810 645 K CB 2.189 34.650 32.500 -0.066 0.000 1.143 645 K HN 0.635 nan 8.250 nan 0.000 0.427 646 T N -0.594 113.887 114.554 -0.121 0.000 2.910 646 T HA 0.269 4.605 4.350 -0.022 0.000 0.287 646 T C 0.533 175.185 174.700 -0.079 0.000 1.050 646 T CA -0.913 61.115 62.100 -0.120 0.000 1.011 646 T CB 1.469 70.234 68.868 -0.173 0.000 1.195 646 T HN 0.427 nan 8.240 nan 0.000 0.540 647 S N -0.025 115.637 115.700 -0.063 0.000 2.547 647 S HA -0.053 4.404 4.470 -0.022 0.000 0.235 647 S C 1.482 176.056 174.600 -0.043 0.000 0.980 647 S CA 0.751 58.925 58.200 -0.043 0.000 0.941 647 S CB -0.356 62.830 63.200 -0.023 0.000 0.763 647 S HN 0.748 nan 8.310 nan 0.000 0.532 648 Q N 0.303 120.067 119.800 -0.061 0.000 2.219 648 Q HA 0.320 4.647 4.340 -0.022 0.000 0.209 648 Q C 1.089 177.060 176.000 -0.050 0.000 0.854 648 Q CA 0.521 56.291 55.803 -0.054 0.000 0.960 648 Q CB -0.039 28.658 28.738 -0.068 0.000 1.116 648 Q HN 0.393 nan 8.270 nan 0.000 0.500 649 G N 0.060 108.832 108.800 -0.047 0.000 2.176 649 G HA2 -0.262 3.685 3.960 -0.022 0.000 0.253 649 G HA3 -0.262 3.685 3.960 -0.022 0.000 0.253 649 G C -0.461 174.446 174.900 0.012 0.000 0.979 649 G CA 0.191 45.279 45.100 -0.019 0.000 0.641 649 G HN 0.253 nan 8.290 nan 0.000 0.530 650 L N 1.963 123.150 121.223 -0.060 0.000 2.530 650 L HA 0.524 4.851 4.340 -0.022 0.000 0.273 650 L C 0.660 177.587 176.870 0.096 0.000 1.141 650 L CA 1.195 55.995 54.840 -0.067 0.000 0.905 650 L CB 0.168 41.905 42.059 -0.537 0.000 1.202 650 L HN 0.665 nan 8.230 nan 0.000 0.473 651 E N 0.717 121.094 120.200 0.295 0.000 2.422 651 E HA 0.655 4.992 4.350 -0.022 0.000 0.280 651 E C -1.165 175.427 176.600 -0.014 0.000 1.091 651 E CA -1.150 55.290 56.400 0.067 0.000 0.849 651 E CB 1.168 30.863 29.700 -0.008 0.000 1.353 651 E HN 0.257 nan 8.360 nan 0.000 0.449 652 T N -1.370 113.143 114.554 -0.068 0.000 2.885 652 T HA 0.238 4.575 4.350 -0.022 0.000 0.285 652 T C 0.683 175.337 174.700 -0.076 0.000 1.019 652 T CA -0.699 61.349 62.100 -0.087 0.000 1.010 652 T CB 1.653 70.485 68.868 -0.060 0.000 1.022 652 T HN 0.475 nan 8.240 nan 0.000 0.466 653 Q N 0.873 120.624 119.800 -0.081 0.000 2.388 653 Q HA -0.301 4.025 4.340 -0.022 0.000 0.216 653 Q C 1.787 177.724 176.000 -0.104 0.000 0.997 653 Q CA 2.184 57.938 55.803 -0.082 0.000 0.923 653 Q CB -0.458 28.236 28.738 -0.072 0.000 0.922 653 Q HN 0.913 nan 8.270 nan 0.000 0.435 654 Q N -0.176 119.561 119.800 -0.104 0.000 2.204 654 Q HA -0.368 3.958 4.340 -0.022 0.000 0.158 654 Q C -0.152 175.733 176.000 -0.192 0.000 0.604 654 Q CA 1.385 57.091 55.803 -0.162 0.000 1.414 654 Q CB -1.244 27.357 28.738 -0.228 0.000 1.448 654 Q HN 0.592 nan 8.270 nan 0.000 0.905 655 R N 1.062 121.484 120.500 -0.129 0.000 2.531 655 R HA 0.063 4.389 4.340 -0.022 0.000 0.269 655 R C -0.334 175.959 176.300 -0.012 0.000 0.898 655 R CA 1.093 57.147 56.100 -0.076 0.000 1.111 655 R CB -0.171 30.107 30.300 -0.037 0.000 0.865 655 R HN 0.370 nan 8.270 nan 0.000 0.427 656 A N 4.529 127.387 122.820 0.064 0.000 2.305 656 A HA 0.487 4.794 4.320 -0.022 0.000 0.322 656 A C -0.997 176.632 177.584 0.076 0.000 1.187 656 A CA -0.452 51.693 52.037 0.179 0.000 0.825 656 A CB 1.218 20.468 19.000 0.417 0.000 1.164 656 A HN 0.809 nan 8.150 nan 0.000 0.498 657 D N 2.096 122.535 120.400 0.065 0.000 2.141 657 D HA 0.093 4.720 4.640 -0.022 0.000 0.146 657 D C -2.208 174.114 176.300 0.037 0.000 1.035 657 D CA -0.237 53.780 54.000 0.029 0.000 0.976 657 D CB 1.173 41.985 40.800 0.021 0.000 3.523 657 D HN 0.294 nan 8.370 nan 0.000 0.515 658 P HA -0.174 nan 4.420 nan 0.000 0.211 658 P C 0.530 177.852 177.300 0.037 0.000 1.179 658 P CA 1.258 64.376 63.100 0.030 0.000 0.910 658 P CB 0.827 32.534 31.700 0.012 0.000 0.785 659 Q N -1.108 118.708 119.800 0.027 0.000 2.225 659 Q HA 0.361 4.688 4.340 -0.022 0.000 0.177 659 Q C -0.228 175.788 176.000 0.027 0.000 1.073 659 Q CA -0.358 55.463 55.803 0.029 0.000 1.134 659 Q CB 0.288 29.038 28.738 0.020 0.000 1.210 659 Q HN 0.144 nan 8.270 nan 0.000 0.599 660 c N 0.742 119.356 118.600 0.023 0.000 2.712 660 c HA 0.433 4.990 4.570 -0.022 0.000 0.308 660 c C -2.277 171.821 174.090 0.013 0.000 1.201 660 c CA -1.314 55.027 56.329 0.020 0.000 1.554 660 c CB 0.785 43.311 42.510 0.026 0.000 2.117 660 c HN 0.690 nan 8.230 nan 0.000 0.480 661 P HA 0.050 nan 4.420 nan 0.000 0.263 661 P C -0.195 177.108 177.300 0.006 0.000 1.145 661 P CA 1.233 64.337 63.100 0.006 0.000 0.755 661 P CB 0.087 31.791 31.700 0.007 0.000 0.746 671 V N 1.484 121.419 119.914 0.036 0.000 2.270 671 V HA -0.404 3.703 4.120 -0.022 0.000 0.108 671 V C 2.043 178.145 176.094 0.013 0.000 0.462 671 V CA 2.452 64.773 62.300 0.034 0.000 1.327 671 V CB -2.164 29.683 31.823 0.039 0.000 1.562 671 V HN 0.903 nan 8.190 nan 0.000 0.937 672 Q N 0.303 120.092 119.800 -0.019 0.000 2.390 672 Q HA 0.080 4.406 4.340 -0.022 0.000 0.216 672 Q C 1.988 177.943 176.000 -0.076 0.000 0.916 672 Q CA 1.394 57.153 55.803 -0.074 0.000 0.911 672 Q CB 0.237 28.891 28.738 -0.141 0.000 1.035 672 Q HN 0.789 nan 8.270 nan 0.000 0.541 673 L N -3.030 118.168 121.223 -0.042 0.000 2.515 673 L HA 0.383 4.710 4.340 -0.022 0.000 0.202 673 L C 2.320 179.202 176.870 0.021 0.000 1.056 673 L CA 0.077 54.916 54.840 -0.003 0.000 0.847 673 L CB -0.401 41.653 42.059 -0.009 0.000 1.131 673 L HN -0.100 nan 8.230 nan 0.000 0.484 674 M N 0.607 120.213 119.600 0.009 0.000 2.346 674 M HA -0.140 4.326 4.480 -0.022 0.000 0.263 674 M C 2.049 178.365 176.300 0.027 0.000 1.064 674 M CA 1.809 57.114 55.300 0.007 0.000 1.083 674 M CB -0.445 32.154 32.600 -0.001 0.000 1.399 674 M HN 0.477 nan 8.290 nan 0.000 0.435 675 E N 1.362 121.586 120.200 0.041 0.000 2.001 675 E HA -0.176 4.161 4.350 -0.022 0.000 0.195 675 E C 1.733 178.374 176.600 0.068 0.000 1.002 675 E CA 1.647 58.081 56.400 0.056 0.000 0.819 675 E CB 0.062 29.805 29.700 0.072 0.000 0.769 675 E HN 0.341 nan 8.360 nan 0.000 0.454 676 K N 0.112 120.575 120.400 0.105 0.000 2.152 676 K HA -0.126 4.181 4.320 -0.022 0.000 0.206 676 K C 2.317 179.034 176.600 0.195 0.000 1.048 676 K CA 0.792 57.182 56.287 0.172 0.000 0.933 676 K CB -0.165 32.475 32.500 0.234 0.000 0.721 676 K HN 0.037 nan 8.250 nan 0.000 0.447 677 R N 0.704 121.282 120.500 0.130 0.000 2.170 677 R HA -0.071 4.255 4.340 -0.022 0.000 0.242 677 R C 1.937 178.283 176.300 0.077 0.000 1.145 677 R CA 1.453 57.617 56.100 0.106 0.000 0.984 677 R CB -0.048 30.276 30.300 0.040 0.000 0.869 677 R HN 0.339 nan 8.270 nan 0.000 0.455 678 M N -1.138 118.488 119.600 0.043 0.000 2.657 678 M HA 0.003 4.470 4.480 -0.022 0.000 0.262 678 M C 1.249 177.543 176.300 -0.010 0.000 1.213 678 M CA 0.487 55.790 55.300 0.005 0.000 1.182 678 M CB -0.054 32.528 32.600 -0.031 0.000 1.303 678 M HN -0.110 nan 8.290 nan 0.000 0.501 679 D N 1.504 121.898 120.400 -0.009 0.000 2.123 679 D HA -0.175 4.452 4.640 -0.022 0.000 0.196 679 D C 1.848 178.128 176.300 -0.034 0.000 0.992 679 D CA 1.521 55.505 54.000 -0.027 0.000 0.833 679 D CB -0.129 40.677 40.800 0.010 0.000 0.954 679 D HN 0.171 nan 8.370 nan 0.000 0.455 680 K N 1.433 121.821 120.400 -0.020 0.000 1.984 680 K HA -0.025 4.281 4.320 -0.022 0.000 0.209 680 K C 1.913 178.518 176.600 0.009 0.000 1.046 680 K CA 1.571 57.798 56.287 -0.100 0.000 0.934 680 K CB -0.630 31.778 32.500 -0.154 0.000 0.717 680 K HN -0.024 nan 8.250 nan 0.000 0.438 681 A N 0.029 122.885 122.820 0.059 0.000 2.139 681 A HA -0.083 4.224 4.320 -0.022 0.000 0.221 681 A C 2.214 179.853 177.584 0.092 0.000 1.159 681 A CA 1.901 53.994 52.037 0.094 0.000 0.662 681 A CB -1.220 17.810 19.000 0.051 0.000 0.796 681 A HN 0.541 nan 8.150 nan 0.000 0.463 682 G N -1.095 107.723 108.800 0.029 0.000 2.408 682 G HA2 -0.135 3.811 3.960 -0.022 0.000 0.215 682 G HA3 -0.135 3.811 3.960 -0.022 0.000 0.215 682 G C 1.428 176.315 174.900 -0.022 0.000 1.156 682 G CA 0.705 45.807 45.100 0.003 0.000 0.793 682 G HN 0.632 nan 8.290 nan 0.000 0.535 683 Q N -0.814 118.933 119.800 -0.088 0.000 2.325 683 Q HA -0.107 4.220 4.340 -0.022 0.000 0.211 683 Q C -0.064 175.732 176.000 -0.340 0.000 0.988 683 Q CA 0.718 56.372 55.803 -0.247 0.000 0.887 683 Q CB -0.150 28.351 28.738 -0.395 0.000 0.915 683 Q HN 0.580 nan 8.270 nan 0.000 0.440 684 Y N -0.276 120.008 120.300 -0.027 0.000 2.419 684 Y HA 0.278 4.815 4.550 -0.022 0.000 0.328 684 Y C 0.279 176.175 175.900 -0.006 0.000 1.162 684 Y CA -0.883 57.209 58.100 -0.013 0.000 1.174 684 Y CB 1.668 40.122 38.460 -0.010 0.000 1.228 684 Y HN -0.157 nan 8.280 nan 0.000 0.473 685 S N 0.394 116.206 115.700 0.186 0.000 2.568 685 S HA 0.761 5.218 4.470 -0.022 0.000 0.293 685 S C -0.093 174.560 174.600 0.089 0.000 1.089 685 S CA -0.194 58.067 58.200 0.101 0.000 0.945 685 S CB 1.529 64.764 63.200 0.059 0.000 1.077 685 S HN 1.318 nan 8.310 nan 0.000 0.485 686 S N 1.552 117.286 115.700 0.058 0.000 3.469 686 S HA -0.333 4.123 4.470 -0.022 0.000 0.628 686 S C 0.287 174.908 174.600 0.036 0.000 2.687 686 S CA 1.220 59.445 58.200 0.041 0.000 3.829 686 S CB -2.175 61.047 63.200 0.037 0.000 0.258 686 S HN 0.920 nan 8.310 nan 0.000 1.222 687 D N 1.443 121.859 120.400 0.028 0.000 2.400 687 D HA 0.271 4.898 4.640 -0.022 0.000 0.242 687 D C 1.348 177.657 176.300 0.014 0.000 1.077 687 D CA 0.969 54.978 54.000 0.017 0.000 0.943 687 D CB -0.348 40.462 40.800 0.016 0.000 0.882 687 D HN 0.438 nan 8.370 nan 0.000 0.529 688 L N -0.917 120.324 121.223 0.030 0.000 2.349 688 L HA 0.145 4.471 4.340 -0.022 0.000 0.200 688 L C 2.305 179.139 176.870 -0.060 0.000 1.064 688 L CA -0.012 54.828 54.840 0.000 0.000 0.821 688 L CB -0.092 42.029 42.059 0.102 0.000 1.027 688 L HN -0.115 nan 8.230 nan 0.000 0.476 689 R N 0.942 121.463 120.500 0.036 0.000 2.159 689 R HA -0.194 4.132 4.340 -0.022 0.000 0.237 689 R C 2.023 178.312 176.300 -0.018 0.000 1.131 689 R CA 1.491 57.615 56.100 0.040 0.000 0.982 689 R CB 0.050 30.404 30.300 0.089 0.000 0.868 689 R HN 0.280 nan 8.270 nan 0.000 0.453 690 K N -0.444 119.947 120.400 -0.015 0.000 2.031 690 K HA -0.088 4.219 4.320 -0.022 0.000 0.205 690 K C 2.233 178.825 176.600 -0.014 0.000 1.049 690 K CA 1.460 57.736 56.287 -0.017 0.000 0.939 690 K CB -0.158 32.331 32.500 -0.020 0.000 0.717 690 K HN 0.205 nan 8.250 nan 0.000 0.438 691 c N 0.704 119.294 118.600 -0.017 0.000 2.413 691 c HA -0.187 4.369 4.570 -0.022 0.000 0.277 691 c C 3.124 177.222 174.090 0.015 0.000 1.265 691 c CA 0.492 56.844 56.329 0.038 0.000 1.752 691 c CB -0.885 41.632 42.510 0.012 0.000 1.998 691 c HN 0.709 nan 8.230 nan 0.000 0.489 692 c N 1.315 119.824 118.600 -0.152 0.000 2.455 692 c HA -0.116 4.441 4.570 -0.022 0.000 0.281 692 c C 2.605 176.602 174.090 -0.155 0.000 1.237 692 c CA 1.677 57.861 56.329 -0.241 0.000 1.726 692 c CB -1.437 40.864 42.510 -0.349 0.000 2.068 692 c HN 0.640 nan 8.230 nan 0.000 0.466 693 E N 0.506 120.657 120.200 -0.082 0.000 2.065 693 E HA -0.278 4.059 4.350 -0.022 0.000 0.201 693 E C 1.653 178.211 176.600 -0.071 0.000 1.016 693 E CA 2.032 58.399 56.400 -0.055 0.000 0.818 693 E CB -0.478 29.207 29.700 -0.026 0.000 0.749 693 E HN 0.641 nan 8.360 nan 0.000 0.453 694 D N -0.342 120.041 120.400 -0.029 0.000 2.315 694 D HA -0.110 4.517 4.640 -0.022 0.000 0.211 694 D C 1.744 178.021 176.300 -0.038 0.000 0.977 694 D CA 1.134 55.154 54.000 0.034 0.000 0.894 694 D CB -0.432 40.449 40.800 0.136 0.000 0.910 694 D HN 0.323 nan 8.370 nan 0.000 0.490 695 G N -0.632 107.949 108.800 -0.365 0.000 2.777 695 G HA2 -0.038 3.908 3.960 -0.022 0.000 0.211 695 G HA3 -0.038 3.908 3.960 -0.022 0.000 0.211 695 G C 1.276 175.878 174.900 -0.496 0.000 1.149 695 G CA -0.155 44.322 45.100 -1.039 0.000 0.785 695 G HN 0.221 nan 8.290 nan 0.000 0.536 696 M N 0.549 120.003 119.600 -0.244 0.000 2.383 696 M HA 0.295 4.762 4.480 -0.022 0.000 0.247 696 M C 0.598 176.847 176.300 -0.085 0.000 1.117 696 M CA -0.024 55.196 55.300 -0.134 0.000 0.995 696 M CB 0.570 33.129 32.600 -0.070 0.000 1.480 696 M HN -0.062 nan 8.290 nan 0.000 0.485 697 R N 0.945 121.403 120.500 -0.070 0.000 2.531 697 R HA 0.255 4.582 4.340 -0.022 0.000 0.273 697 R C -0.417 175.869 176.300 -0.023 0.000 1.070 697 R CA -0.550 55.529 56.100 -0.034 0.000 1.112 697 R CB 0.573 30.870 30.300 -0.005 0.000 1.049 697 R HN 0.043 nan 8.270 nan 0.000 0.508 698 D N 0.374 120.756 120.400 -0.029 0.000 2.363 698 D HA -0.044 4.582 4.640 -0.022 0.000 0.240 698 D C -0.424 175.855 176.300 -0.035 0.000 1.236 698 D CA 0.195 54.174 54.000 -0.035 0.000 0.927 698 D CB 0.624 41.398 40.800 -0.044 0.000 1.150 698 D HN 0.386 nan 8.370 nan 0.000 0.458 699 N N 1.444 120.101 118.700 -0.071 0.000 2.533 699 N HA 0.177 4.904 4.740 -0.022 0.000 0.289 699 N C -2.326 173.047 175.510 -0.228 0.000 1.103 699 N CA -1.606 51.359 53.050 -0.142 0.000 0.877 699 N CB 2.028 40.446 38.487 -0.115 0.000 1.419 699 N HN 0.113 nan 8.380 nan 0.000 0.517 700 P HA -0.230 nan 4.420 nan 0.000 0.219 700 P C 1.743 178.843 177.300 -0.334 0.000 1.158 700 P CA 2.009 64.964 63.100 -0.243 0.000 0.895 700 P CB 0.157 31.726 31.700 -0.219 0.000 0.792 701 M N -3.017 116.250 119.600 -0.556 0.000 2.156 701 M HA 0.027 4.494 4.480 -0.022 0.000 0.264 701 M C 0.558 176.560 176.300 -0.495 0.000 1.067 701 M CA 1.448 56.321 55.300 -0.710 0.000 1.131 701 M CB -1.054 30.608 32.600 -1.563 0.000 1.368 701 M HN -0.219 nan 8.290 nan 0.000 0.416 702 K N 0.173 120.327 120.400 -0.410 0.000 3.294 702 K HA -0.054 4.253 4.320 -0.022 0.000 0.277 702 K C -1.119 175.489 176.600 0.012 0.000 1.235 702 K CA 0.116 56.313 56.287 -0.150 0.000 0.818 702 K CB -2.082 30.361 32.500 -0.095 0.000 1.371 702 K HN 0.150 nan 8.250 nan 0.000 0.520 703 F N 1.650 121.587 119.950 -0.022 0.000 2.518 703 F HA 0.199 4.713 4.527 -0.022 0.000 0.359 703 F C -1.107 174.735 175.800 0.070 0.000 1.118 703 F CA -2.168 55.852 58.000 0.033 0.000 1.287 703 F CB -0.225 38.814 39.000 0.064 0.000 1.132 703 F HN -0.024 nan 8.300 nan 0.000 0.587 704 P HA 0.026 nan 4.420 nan 0.000 0.271 704 P C 0.624 178.054 177.300 0.217 0.000 1.216 704 P CA -0.152 63.057 63.100 0.183 0.000 0.776 704 P CB 0.714 32.490 31.700 0.126 0.000 0.881 705 c N 1.872 120.592 118.600 0.201 0.000 2.391 705 c HA -0.202 4.355 4.570 -0.022 0.000 0.276 705 c C 2.782 177.045 174.090 0.289 0.000 1.191 705 c CA 1.187 57.683 56.329 0.278 0.000 1.808 705 c CB -1.469 41.156 42.510 0.193 0.000 2.095 705 c HN 0.621 nan 8.230 nan 0.000 0.478 706 Q N -0.079 119.832 119.800 0.184 0.000 2.167 706 Q HA -0.194 4.133 4.340 -0.022 0.000 0.202 706 Q C 2.298 178.365 176.000 0.110 0.000 0.970 706 Q CA 1.341 57.222 55.803 0.131 0.000 0.855 706 Q CB -0.337 28.452 28.738 0.084 0.000 0.911 706 Q HN 0.629 nan 8.270 nan 0.000 0.438 707 R N 1.382 121.959 120.500 0.129 0.000 2.062 707 R HA -0.013 4.314 4.340 -0.022 0.000 0.226 707 R C 2.169 178.611 176.300 0.237 0.000 1.125 707 R CA 1.194 57.349 56.100 0.092 0.000 0.966 707 R CB -0.123 30.160 30.300 -0.029 0.000 0.861 707 R HN 0.097 nan 8.270 nan 0.000 0.433 708 R N 0.539 121.241 120.500 0.337 0.000 2.103 708 R HA -0.112 4.215 4.340 -0.022 0.000 0.242 708 R C 2.165 178.552 176.300 0.145 0.000 1.142 708 R CA 1.548 57.883 56.100 0.393 0.000 0.960 708 R CB -1.015 29.572 30.300 0.479 0.000 0.858 708 R HN 0.322 nan 8.270 nan 0.000 0.439 709 A N 1.921 124.735 122.820 -0.010 0.000 2.032 709 A HA -0.242 4.064 4.320 -0.022 0.000 0.221 709 A C 2.134 179.647 177.584 -0.118 0.000 1.165 709 A CA 1.526 53.425 52.037 -0.230 0.000 0.645 709 A CB -0.482 18.468 19.000 -0.083 0.000 0.807 709 A HN 0.455 nan 8.150 nan 0.000 0.453 710 Q N -1.705 118.090 119.800 -0.008 0.000 2.291 710 Q HA -0.132 4.195 4.340 -0.022 0.000 0.206 710 Q C 1.142 177.029 176.000 -0.189 0.000 0.976 710 Q CA 1.329 57.061 55.803 -0.120 0.000 0.875 710 Q CB -0.246 28.365 28.738 -0.211 0.000 0.927 710 Q HN 0.794 nan 8.270 nan 0.000 0.450 711 F N 0.162 119.993 119.950 -0.198 0.000 2.789 711 F HA 0.150 4.664 4.527 -0.022 0.000 0.300 711 F C 0.818 176.461 175.800 -0.262 0.000 1.132 711 F CA -0.126 57.732 58.000 -0.235 0.000 1.404 711 F CB 0.149 38.914 39.000 -0.391 0.000 1.114 711 F HN -0.069 nan 8.300 nan 0.000 0.584 712 I N 1.354 121.848 120.570 -0.128 0.000 2.598 712 I HA -0.076 4.080 4.170 -0.022 0.000 0.284 712 I C 0.698 176.751 176.117 -0.106 0.000 1.140 712 I CA 0.173 61.359 61.300 -0.190 0.000 1.420 712 I CB 0.979 38.791 38.000 -0.315 0.000 1.387 712 I HN 0.035 nan 8.210 nan 0.000 0.553 713 L N 5.815 126.997 121.223 -0.069 0.000 2.858 713 L HA 0.183 4.510 4.340 -0.022 0.000 0.251 713 L C 1.473 178.335 176.870 -0.013 0.000 1.149 713 L CA 0.665 55.485 54.840 -0.032 0.000 0.955 713 L CB -0.096 41.959 42.059 -0.007 0.000 1.289 713 L HN 0.492 nan 8.230 nan 0.000 0.542 714 Q N 0.762 120.549 119.800 -0.021 0.000 2.378 714 Q HA 0.447 4.774 4.340 -0.022 0.000 0.205 714 Q C 0.891 176.891 176.000 0.000 0.000 0.954 714 Q CA 0.629 56.431 55.803 -0.002 0.000 0.901 714 Q CB -0.045 28.690 28.738 -0.004 0.000 0.981 714 Q HN 0.365 nan 8.270 nan 0.000 0.483 715 G N 0.103 108.896 108.800 -0.012 0.000 2.697 715 G HA2 -0.166 3.781 3.960 -0.022 0.000 0.686 715 G HA3 -0.166 3.781 3.960 -0.022 0.000 0.686 715 G C -0.115 174.784 174.900 -0.003 0.000 1.179 715 G CA -0.370 44.727 45.100 -0.006 0.000 0.765 715 G HN 0.063 nan 8.290 nan 0.000 0.649 716 D N 0.292 120.692 120.400 -0.000 0.000 3.523 716 D HA -0.423 4.203 4.640 -0.022 0.000 0.258 716 D C 2.733 179.046 176.300 0.020 0.000 1.189 716 D CA 3.500 57.505 54.000 0.009 0.000 0.935 716 D CB -0.584 40.224 40.800 0.012 0.000 1.003 716 D HN 1.330 nan 8.370 nan 0.000 0.545 717 A N 0.440 123.276 122.820 0.026 0.000 1.917 717 A HA -0.249 4.058 4.320 -0.022 0.000 0.219 717 A C 2.616 180.220 177.584 0.034 0.000 1.182 717 A CA 2.371 54.432 52.037 0.039 0.000 0.633 717 A CB -1.150 17.874 19.000 0.041 0.000 0.819 717 A HN 0.595 nan 8.150 nan 0.000 0.448 718 c N -1.022 117.589 118.600 0.018 0.000 2.446 718 c HA 0.080 4.636 4.570 -0.022 0.000 0.279 718 c C 2.557 176.661 174.090 0.022 0.000 1.366 718 c CA 1.042 57.375 56.329 0.006 0.000 1.763 718 c CB -1.454 41.057 42.510 0.002 0.000 1.929 718 c HN 0.378 nan 8.230 nan 0.000 0.509 719 V N 1.581 121.506 119.914 0.019 0.000 2.323 719 V HA -0.108 3.999 4.120 -0.022 0.000 0.244 719 V C 2.767 178.923 176.094 0.103 0.000 1.041 719 V CA 1.746 64.065 62.300 0.031 0.000 1.025 719 V CB -0.735 31.080 31.823 -0.013 0.000 0.656 719 V HN 0.412 nan 8.190 nan 0.000 0.451 720 K N 0.774 121.217 120.400 0.072 0.000 2.044 720 K HA -0.193 4.114 4.320 -0.022 0.000 0.210 720 K C 2.315 178.966 176.600 0.085 0.000 1.049 720 K CA 1.813 58.153 56.287 0.087 0.000 0.927 720 K CB -0.887 31.662 32.500 0.081 0.000 0.713 720 K HN 0.483 nan 8.250 nan 0.000 0.443 721 A N 1.100 123.928 122.820 0.014 0.000 1.865 721 A HA -0.192 4.115 4.320 -0.022 0.000 0.217 721 A C 2.150 179.647 177.584 -0.144 0.000 1.191 721 A CA 1.500 53.401 52.037 -0.227 0.000 0.623 721 A CB -0.876 17.826 19.000 -0.496 0.000 0.826 721 A HN 0.296 nan 8.150 nan 0.000 0.444 722 F N 0.703 120.556 119.950 -0.161 0.000 2.015 722 F HA -0.250 4.263 4.527 -0.022 0.000 0.297 722 F C 2.023 177.807 175.800 -0.026 0.000 1.141 722 F CA 2.030 59.977 58.000 -0.088 0.000 1.192 722 F CB -0.357 38.615 39.000 -0.046 0.000 0.957 722 F HN 0.123 nan 8.300 nan 0.000 0.491 723 L N 0.613 122.057 121.223 0.367 0.000 2.089 723 L HA -0.289 4.038 4.340 -0.022 0.000 0.213 723 L C 2.180 179.104 176.870 0.091 0.000 1.079 723 L CA 2.304 57.284 54.840 0.232 0.000 0.758 723 L CB -1.913 40.266 42.059 0.200 0.000 0.891 723 L HN 0.364 nan 8.230 nan 0.000 0.433 724 D N -0.286 120.162 120.400 0.081 0.000 2.119 724 D HA -0.194 4.433 4.640 -0.022 0.000 0.199 724 D C 2.211 178.562 176.300 0.084 0.000 0.987 724 D CA 2.068 56.126 54.000 0.097 0.000 0.858 724 D CB -0.274 40.622 40.800 0.159 0.000 1.008 724 D HN 0.334 nan 8.370 nan 0.000 0.450 725 c N 0.189 118.806 118.600 0.029 0.000 2.398 725 c HA -0.159 4.398 4.570 -0.022 0.000 0.282 725 c C 3.127 177.234 174.090 0.028 0.000 1.275 725 c CA 0.633 56.992 56.329 0.050 0.000 1.797 725 c CB -1.438 41.038 42.510 -0.057 0.000 1.991 725 c HN 0.576 nan 8.230 nan 0.000 0.505 726 c N 1.764 120.293 118.600 -0.118 0.000 2.928 726 c HA -0.125 4.432 4.570 -0.022 0.000 0.291 726 c C 2.952 177.027 174.090 -0.024 0.000 1.260 726 c CA 1.742 57.980 56.329 -0.153 0.000 1.756 726 c CB -1.427 40.931 42.510 -0.254 0.000 2.125 726 c HN 0.745 nan 8.230 nan 0.000 0.467 727 E N -0.401 119.814 120.200 0.025 0.000 2.147 727 E HA -0.361 3.975 4.350 -0.022 0.000 0.199 727 E C 1.998 178.624 176.600 0.043 0.000 1.005 727 E CA 2.179 58.603 56.400 0.041 0.000 0.810 727 E CB -1.042 28.698 29.700 0.065 0.000 0.736 727 E HN 0.831 nan 8.360 nan 0.000 0.460 728 Y N 3.078 123.368 120.300 -0.016 0.000 1.993 728 Y HA -0.268 4.269 4.550 -0.022 0.000 0.267 728 Y C 2.246 178.133 175.900 -0.021 0.000 1.155 728 Y CA 2.391 60.484 58.100 -0.012 0.000 1.105 728 Y CB -0.602 37.858 38.460 0.001 0.000 0.960 728 Y HN 0.138 nan 8.280 nan 0.000 0.486 729 I N -1.307 119.013 120.570 -0.416 0.000 2.830 729 I HA -0.080 4.076 4.170 -0.022 0.000 0.263 729 I C 2.003 177.979 176.117 -0.235 0.000 1.230 729 I CA 1.486 62.524 61.300 -0.436 0.000 1.480 729 I CB -1.658 36.214 38.000 -0.212 0.000 1.095 729 I HN 0.129 nan 8.210 nan 0.000 0.455 730 T N 1.703 116.169 114.554 -0.147 0.000 2.652 730 T HA -0.233 4.104 4.350 -0.022 0.000 0.267 730 T C 1.831 176.470 174.700 -0.103 0.000 1.039 730 T CA 2.317 64.364 62.100 -0.089 0.000 1.153 730 T CB -0.392 68.451 68.868 -0.040 0.000 0.863 730 T HN 0.734 nan 8.240 nan 0.000 0.428 731 Q N 0.734 120.464 119.800 -0.116 0.000 2.049 731 Q HA 0.057 4.384 4.340 -0.022 0.000 0.198 731 Q C 2.369 178.258 176.000 -0.186 0.000 0.971 731 Q CA 0.811 56.546 55.803 -0.114 0.000 0.833 731 Q CB -0.730 27.960 28.738 -0.080 0.000 0.896 731 Q HN 0.294 nan 8.270 nan 0.000 0.434 732 L N 1.124 122.174 121.223 -0.289 0.000 2.197 732 L HA -0.178 4.149 4.340 -0.022 0.000 0.215 732 L C 2.327 179.007 176.870 -0.318 0.000 1.095 732 L CA 1.995 56.600 54.840 -0.391 0.000 0.764 732 L CB -0.569 41.126 42.059 -0.607 0.000 0.897 732 L HN 0.384 nan 8.230 nan 0.000 0.436 733 R N -0.872 119.516 120.500 -0.187 0.000 2.140 733 R HA -0.089 4.238 4.340 -0.022 0.000 0.213 733 R C 2.132 178.395 176.300 -0.060 0.000 1.059 733 R CA 0.694 56.749 56.100 -0.075 0.000 1.000 733 R CB 0.084 30.350 30.300 -0.057 0.000 0.910 733 R HN 0.432 nan 8.270 nan 0.000 0.455 734 Q N -0.271 119.477 119.800 -0.086 0.000 2.369 734 Q HA -0.133 4.193 4.340 -0.022 0.000 0.206 734 Q C 1.763 177.720 176.000 -0.072 0.000 0.963 734 Q CA 1.047 56.815 55.803 -0.060 0.000 0.894 734 Q CB 0.288 28.994 28.738 -0.053 0.000 0.965 734 Q HN 0.377 nan 8.270 nan 0.000 0.475 735 Q N -0.485 119.229 119.800 -0.143 0.000 2.204 735 Q HA -0.116 4.211 4.340 -0.022 0.000 0.198 735 Q C 0.965 176.890 176.000 -0.125 0.000 0.946 735 Q CA 0.730 56.429 55.803 -0.174 0.000 0.859 735 Q CB 0.331 28.891 28.738 -0.297 0.000 0.946 735 Q HN 0.470 nan 8.270 nan 0.000 0.474 736 H N 0.050 119.099 119.070 -0.036 0.000 2.543 736 H HA 0.110 4.653 4.556 -0.022 0.000 0.269 736 H C 1.662 176.977 175.328 -0.022 0.000 1.005 736 H CA 0.994 57.026 56.048 -0.027 0.000 1.146 736 H CB 0.561 30.303 29.762 -0.032 0.000 1.353 736 H HN 0.394 nan 8.280 nan 0.000 0.595 737 S N 0.191 115.933 115.700 0.069 0.000 2.599 737 S HA -0.026 4.430 4.470 -0.022 0.000 0.236 737 S C 1.770 176.384 174.600 0.023 0.000 1.077 737 S CA -0.430 57.793 58.200 0.038 0.000 0.906 737 S CB 0.231 63.441 63.200 0.017 0.000 0.804 737 S HN 0.442 nan 8.310 nan 0.000 0.497 738 R N 0.605 121.112 120.500 0.012 0.000 2.320 738 R HA 0.318 4.645 4.340 -0.022 0.000 0.211 738 R C -0.277 176.032 176.300 0.015 0.000 0.931 738 R CA 0.527 56.631 56.100 0.007 0.000 1.071 738 R CB -0.224 30.073 30.300 -0.004 0.000 1.025 738 R HN 0.157 nan 8.270 nan 0.000 0.495 739 D N 0.157 120.576 120.400 0.031 0.000 2.563 739 D HA 0.124 4.750 4.640 -0.022 0.000 0.237 739 D C 0.662 176.989 176.300 0.044 0.000 1.282 739 D CA 0.037 54.062 54.000 0.041 0.000 0.816 739 D CB 1.220 42.058 40.800 0.064 0.000 1.066 739 D HN 0.438 nan 8.370 nan 0.000 0.501 740 G N -0.041 108.780 108.800 0.035 0.000 3.284 740 G HA2 0.316 4.263 3.960 -0.022 0.000 0.236 740 G HA3 0.316 4.263 3.960 -0.022 0.000 0.236 740 G C 1.016 175.926 174.900 0.016 0.000 1.158 740 G CA 0.380 45.496 45.100 0.026 0.000 0.774 740 G HN 0.215 nan 8.290 nan 0.000 0.545 741 A N -0.317 122.512 122.820 0.015 0.000 2.312 741 A HA 0.628 4.935 4.320 -0.022 0.000 0.215 741 A C 0.980 178.570 177.584 0.010 0.000 1.256 741 A CA -0.109 51.934 52.037 0.010 0.000 0.966 741 A CB 0.159 19.164 19.000 0.009 0.000 1.053 741 A HN 0.376 nan 8.150 nan 0.000 0.510 751 D N 0.598 121.017 120.400 0.032 0.000 2.479 751 D HA 0.028 4.655 4.640 -0.022 0.000 0.216 751 D C 0.254 176.512 176.300 -0.071 0.000 1.110 751 D CA 0.262 54.280 54.000 0.031 0.000 0.841 751 D CB 0.478 41.299 40.800 0.036 0.000 1.040 751 D HN -0.074 nan 8.370 nan 0.000 0.505 752 D N 0.053 120.393 120.400 -0.100 0.000 2.722 752 D HA 0.269 4.896 4.640 -0.022 0.000 0.239 752 D C -0.379 175.814 176.300 -0.178 0.000 1.249 752 D CA -0.052 53.881 54.000 -0.112 0.000 0.830 752 D CB -0.024 40.735 40.800 -0.069 0.000 1.025 752 D HN 0.186 nan 8.370 nan 0.000 0.486 753 I N 0.673 121.047 120.570 -0.327 0.000 2.493 753 I HA 0.459 4.616 4.170 -0.022 0.000 0.298 753 I C -0.690 175.189 176.117 -0.397 0.000 0.998 753 I CA -1.012 60.040 61.300 -0.412 0.000 1.137 753 I CB 1.789 39.377 38.000 -0.686 0.000 1.310 753 I HN -0.170 nan 8.210 nan 0.000 0.445 754 I N 6.285 126.707 120.570 -0.248 0.000 2.680 754 I HA 0.356 4.513 4.170 -0.022 0.000 0.291 754 I C -1.950 174.103 176.117 -0.107 0.000 1.244 754 I CA -1.268 59.932 61.300 -0.165 0.000 1.042 754 I CB 1.404 39.341 38.000 -0.105 0.000 1.277 754 I HN 0.409 nan 8.210 nan 0.000 0.423 755 P HA 0.130 nan 4.420 nan 0.000 0.286 755 P C -0.816 176.470 177.300 -0.023 0.000 1.278 755 P CA 0.003 63.081 63.100 -0.036 0.000 0.785 755 P CB 0.752 32.442 31.700 -0.016 0.000 1.269 756 E N -0.716 119.479 120.200 -0.007 0.000 2.621 756 E HA 0.087 4.424 4.350 -0.022 0.000 0.263 756 E C 0.266 176.872 176.600 0.010 0.000 1.033 756 E CA -0.225 56.173 56.400 -0.004 0.000 0.778 756 E CB 0.912 30.607 29.700 -0.009 0.000 1.426 756 E HN 0.369 nan 8.360 nan 0.000 0.394 757 E N 1.109 121.322 120.200 0.022 0.000 3.022 757 E HA -0.282 4.054 4.350 -0.022 0.000 0.210 757 E C -0.016 176.605 176.600 0.035 0.000 0.881 757 E CA 1.827 58.251 56.400 0.039 0.000 1.524 757 E CB -0.154 29.553 29.700 0.011 0.000 1.544 757 E HN 0.421 nan 8.360 nan 0.000 0.432 758 D N 0.750 121.153 120.400 0.006 0.000 2.339 758 D HA 0.306 4.932 4.640 -0.022 0.000 0.241 758 D C -0.431 175.876 176.300 0.010 0.000 1.183 758 D CA 0.172 54.174 54.000 0.002 0.000 0.859 758 D CB 0.519 41.314 40.800 -0.009 0.000 1.067 758 D HN 0.094 nan 8.370 nan 0.000 0.484 759 I N 3.399 123.980 120.570 0.018 0.000 2.404 759 I HA 0.299 4.456 4.170 -0.022 0.000 0.293 759 I C 0.335 176.458 176.117 0.009 0.000 0.992 759 I CA -0.769 60.538 61.300 0.012 0.000 1.149 759 I CB 1.749 39.758 38.000 0.015 0.000 1.315 759 I HN 0.093 nan 8.210 nan 0.000 0.446 760 I N 5.456 126.028 120.570 0.003 0.000 2.365 760 I HA 0.181 4.338 4.170 -0.022 0.000 0.291 760 I C 0.824 176.931 176.117 -0.017 0.000 1.004 760 I CA -0.107 61.194 61.300 0.002 0.000 1.311 760 I CB 1.486 39.491 38.000 0.009 0.000 1.401 760 I HN 0.643 nan 8.210 nan 0.000 0.491 761 S N 6.803 122.497 115.700 -0.010 0.000 2.652 761 S HA 0.325 4.781 4.470 -0.022 0.000 0.267 761 S C 0.240 174.811 174.600 -0.049 0.000 1.201 761 S CA -0.734 57.451 58.200 -0.025 0.000 0.996 761 S CB 0.866 64.070 63.200 0.007 0.000 1.054 761 S HN 0.690 nan 8.310 nan 0.000 0.561 762 R N -0.007 120.449 120.500 -0.074 0.000 2.489 762 R HA 0.191 4.518 4.340 -0.022 0.000 0.287 762 R C 0.422 176.685 176.300 -0.062 0.000 1.053 762 R CA 0.655 56.655 56.100 -0.166 0.000 1.036 762 R CB 0.267 30.419 30.300 -0.246 0.000 0.966 762 R HN 0.890 nan 8.270 nan 0.000 0.432 763 S N 1.935 117.550 115.700 -0.142 0.000 2.787 763 S HA -0.010 4.447 4.470 -0.022 0.000 0.255 763 S C -0.051 174.537 174.600 -0.020 0.000 1.051 763 S CA -0.547 57.695 58.200 0.070 0.000 1.124 763 S CB 0.467 63.695 63.200 0.046 0.000 1.104 763 S HN 0.609 nan 8.310 nan 0.000 0.623 764 Q N 1.416 120.969 119.800 -0.411 0.000 2.406 764 Q HA 0.596 4.923 4.340 -0.022 0.000 0.242 764 Q C -1.735 173.982 176.000 -0.472 0.000 1.036 764 Q CA -0.401 55.176 55.803 -0.376 0.000 0.904 764 Q CB -0.381 27.981 28.738 -0.627 0.000 1.244 764 Q HN 0.414 nan 8.270 nan 0.000 0.478 765 F N 4.950 124.862 119.950 -0.064 0.000 2.520 765 F HA 0.547 5.060 4.527 -0.022 0.000 0.322 765 F C -1.724 174.095 175.800 0.031 0.000 1.103 765 F CA -2.504 55.470 58.000 -0.044 0.000 0.926 765 F CB 1.252 40.220 39.000 -0.054 0.000 1.154 765 F HN 0.472 nan 8.300 nan 0.000 0.453 766 P HA -0.105 nan 4.420 nan 0.000 0.267 766 P C -0.577 176.940 177.300 0.360 0.000 1.175 766 P CA 0.282 63.539 63.100 0.263 0.000 0.763 766 P CB 0.736 32.597 31.700 0.269 0.000 0.795 767 E N 0.765 121.163 120.200 0.332 0.000 2.338 767 E HA 0.171 4.507 4.350 -0.022 0.000 0.272 767 E C 0.071 176.918 176.600 0.412 0.000 1.029 767 E CA -0.375 56.206 56.400 0.301 0.000 0.872 767 E CB 0.503 30.322 29.700 0.199 0.000 1.015 767 E HN 0.364 nan 8.360 nan 0.000 0.417 768 S N 3.900 119.803 115.700 0.338 0.000 2.549 768 S HA 0.113 4.570 4.470 -0.022 0.000 0.283 768 S C -0.136 174.630 174.600 0.277 0.000 1.320 768 S CA -0.399 57.993 58.200 0.320 0.000 1.058 768 S CB 0.211 63.518 63.200 0.177 0.000 0.882 768 S HN 0.445 nan 8.310 nan 0.000 0.498 769 W N 1.632 122.898 121.300 -0.056 0.000 3.459 769 W HA 0.623 5.270 4.660 -0.022 0.000 0.340 769 W C -0.125 176.402 176.519 0.013 0.000 1.275 769 W CA -1.519 55.797 57.345 -0.048 0.000 0.985 769 W CB -0.622 28.735 29.460 -0.171 0.000 1.745 769 W HN 0.520 nan 8.180 nan 0.000 0.627 770 L N 0.577 121.886 121.223 0.144 0.000 4.291 770 L HA -0.217 4.110 4.340 -0.022 0.000 0.413 770 L C -0.029 176.865 176.870 0.040 0.000 1.162 770 L CA 0.014 54.810 54.840 -0.072 0.000 0.961 770 L CB -1.771 39.886 42.059 -0.670 0.000 2.095 770 L HN 0.657 nan 8.230 nan 0.000 0.838 771 W N 2.273 123.547 121.300 -0.042 0.000 2.666 771 W HA 0.465 5.112 4.660 -0.022 0.000 0.365 771 W C 0.342 176.861 176.519 0.000 0.000 1.224 771 W CA 0.846 58.179 57.345 -0.020 0.000 1.515 771 W CB 0.301 29.770 29.460 0.015 0.000 1.562 771 W HN 0.376 nan 8.180 nan 0.000 0.455 772 T N 3.508 117.915 114.554 -0.245 0.000 2.840 772 T HA 0.423 4.760 4.350 -0.022 0.000 0.317 772 T C -1.605 172.929 174.700 -0.276 0.000 1.401 772 T CA -0.514 61.451 62.100 -0.225 0.000 1.028 772 T CB 1.447 70.271 68.868 -0.072 0.000 1.317 772 T HN -0.033 nan 8.240 nan 0.000 0.495 773 V N 4.834 124.624 119.914 -0.206 0.000 2.350 773 V HA 0.486 4.593 4.120 -0.022 0.000 0.285 773 V C 0.259 176.305 176.094 -0.081 0.000 1.014 773 V CA -0.807 61.401 62.300 -0.154 0.000 0.831 773 V CB 1.074 32.814 31.823 -0.139 0.000 1.000 773 V HN 0.790 nan 8.190 nan 0.000 0.433 774 I N 4.672 125.199 120.570 -0.071 0.000 2.517 774 I HA 0.123 4.280 4.170 -0.022 0.000 0.285 774 I C 1.345 177.444 176.117 -0.029 0.000 1.106 774 I CA 0.125 61.397 61.300 -0.047 0.000 1.402 774 I CB 0.584 38.553 38.000 -0.051 0.000 1.399 774 I HN 0.683 nan 8.210 nan 0.000 0.535 775 E N 3.962 124.152 120.200 -0.016 0.000 2.025 775 E HA -0.063 4.274 4.350 -0.022 0.000 0.198 775 E C 0.075 176.665 176.600 -0.018 0.000 0.955 775 E CA 0.687 57.084 56.400 -0.004 0.000 0.862 775 E CB -0.117 29.589 29.700 0.010 0.000 0.837 775 E HN 0.591 nan 8.360 nan 0.000 0.488 776 D N 0.297 120.687 120.400 -0.017 0.000 2.417 776 D HA 0.062 4.689 4.640 -0.022 0.000 0.250 776 D C -0.308 175.974 176.300 -0.029 0.000 1.166 776 D CA 0.400 54.385 54.000 -0.024 0.000 0.881 776 D CB 0.324 41.113 40.800 -0.019 0.000 1.164 776 D HN 0.025 nan 8.370 nan 0.000 0.467 777 L N 3.930 125.132 121.223 -0.034 0.000 3.320 777 L HA 0.135 4.462 4.340 -0.022 0.000 0.331 777 L C 0.674 177.523 176.870 -0.035 0.000 1.306 777 L CA -0.506 54.313 54.840 -0.035 0.000 0.892 777 L CB 0.028 42.064 42.059 -0.039 0.000 1.337 777 L HN 0.436 nan 8.230 nan 0.000 0.604 778 K N -0.656 119.724 120.400 -0.033 0.000 2.525 778 K HA 0.268 4.574 4.320 -0.022 0.000 0.262 778 K C -0.364 176.220 176.600 -0.027 0.000 1.049 778 K CA -0.521 55.747 56.287 -0.032 0.000 0.961 778 K CB 0.310 32.791 32.500 -0.031 0.000 1.258 778 K HN -0.017 nan 8.250 nan 0.000 0.501 779 Q N -1.100 118.685 119.800 -0.024 0.000 2.438 779 Q HA -0.185 4.142 4.340 -0.022 0.000 0.356 779 Q C -0.236 175.751 176.000 -0.022 0.000 1.438 779 Q CA 0.944 56.735 55.803 -0.021 0.000 0.973 779 Q CB -2.116 26.610 28.738 -0.019 0.000 1.151 779 Q HN 0.807 nan 8.270 nan 0.000 0.328 780 A N 1.159 123.966 122.820 -0.022 0.000 2.377 780 A HA 0.029 4.335 4.320 -0.022 0.000 0.274 780 A C 0.960 178.532 177.584 -0.020 0.000 1.178 780 A CA 0.942 52.966 52.037 -0.022 0.000 0.836 780 A CB 0.185 19.172 19.000 -0.021 0.000 1.111 780 A HN 0.571 nan 8.150 nan 0.000 0.517 781 D N -1.690 118.698 120.400 -0.020 0.000 2.340 781 D HA 0.072 4.699 4.640 -0.022 0.000 0.217 781 D C 0.907 177.197 176.300 -0.016 0.000 1.081 781 D CA 0.430 54.419 54.000 -0.018 0.000 0.842 781 D CB -0.250 40.538 40.800 -0.020 0.000 0.934 781 D HN 0.605 nan 8.370 nan 0.000 0.511 782 K N -0.494 119.896 120.400 -0.016 0.000 3.363 782 K HA -0.271 4.035 4.320 -0.022 0.000 0.313 782 K C 0.475 177.067 176.600 -0.014 0.000 1.259 782 K CA 1.228 57.506 56.287 -0.014 0.000 0.942 782 K CB -0.956 31.537 32.500 -0.013 0.000 1.229 782 K HN 0.349 nan 8.250 nan 0.000 0.440 783 N N -1.772 116.920 118.700 -0.015 0.000 2.082 783 N HA 0.041 4.768 4.740 -0.022 0.000 0.228 783 N C 0.804 176.305 175.510 -0.015 0.000 1.341 783 N CA 1.322 54.364 53.050 -0.014 0.000 0.873 783 N CB 1.371 39.850 38.487 -0.014 0.000 1.137 783 N HN 0.375 nan 8.380 nan 0.000 0.505 784 G N 1.876 110.666 108.800 -0.017 0.000 3.141 784 G HA2 -0.179 3.768 3.960 -0.022 0.000 0.205 784 G HA3 -0.179 3.768 3.960 -0.022 0.000 0.205 784 G C -0.026 174.861 174.900 -0.022 0.000 1.924 784 G CA -0.073 45.016 45.100 -0.019 0.000 1.573 784 G HN 0.161 nan 8.290 nan 0.000 0.591 785 I N 3.696 124.253 120.570 -0.023 0.000 3.376 785 I HA 0.085 4.242 4.170 -0.022 0.000 0.308 785 I C 1.274 177.374 176.117 -0.028 0.000 1.159 785 I CA 1.027 62.311 61.300 -0.027 0.000 1.914 785 I CB -0.324 37.660 38.000 -0.027 0.000 1.634 785 I HN 0.443 nan 8.210 nan 0.000 0.913 786 S N 3.164 118.846 115.700 -0.030 0.000 4.120 786 S HA 0.093 4.550 4.470 -0.022 0.000 0.215 786 S C 0.811 175.391 174.600 -0.033 0.000 1.347 786 S CA -0.685 57.498 58.200 -0.030 0.000 0.889 786 S CB -0.643 62.539 63.200 -0.030 0.000 1.585 786 S HN 0.712 nan 8.310 nan 0.000 0.447 787 T N -0.192 114.341 114.554 -0.034 0.000 2.663 787 T HA 0.339 4.676 4.350 -0.022 0.000 0.325 787 T C -0.274 174.403 174.700 -0.037 0.000 1.059 787 T CA -0.213 61.864 62.100 -0.039 0.000 1.039 787 T CB 0.417 69.260 68.868 -0.041 0.000 0.996 787 T HN 0.698 nan 8.240 nan 0.000 0.539 788 K N 0.059 120.434 120.400 -0.041 0.000 2.562 788 K HA 0.596 4.903 4.320 -0.022 0.000 0.267 788 K C -1.874 174.701 176.600 -0.042 0.000 0.938 788 K CA -0.731 55.534 56.287 -0.038 0.000 0.840 788 K CB 1.388 33.866 32.500 -0.037 0.000 1.390 788 K HN 0.705 nan 8.250 nan 0.000 0.428 789 L N 3.438 124.640 121.223 -0.036 0.000 2.331 789 L HA 0.673 4.999 4.340 -0.022 0.000 0.275 789 L C -0.475 176.372 176.870 -0.037 0.000 1.022 789 L CA -0.974 53.843 54.840 -0.038 0.000 0.812 789 L CB 1.825 43.866 42.059 -0.031 0.000 1.257 789 L HN 0.785 nan 8.230 nan 0.000 0.435 790 M N 2.749 122.324 119.600 -0.043 0.000 2.277 790 M HA 0.377 4.844 4.480 -0.022 0.000 0.282 790 M C -1.779 174.482 176.300 -0.065 0.000 1.074 790 M CA -0.440 54.831 55.300 -0.048 0.000 0.954 790 M CB 2.054 34.627 32.600 -0.046 0.000 1.672 790 M HN 0.470 nan 8.290 nan 0.000 0.471 791 N N 2.827 121.470 118.700 -0.095 0.000 2.426 791 N HA 0.644 5.371 4.740 -0.022 0.000 0.275 791 N C -1.532 173.814 175.510 -0.273 0.000 1.019 791 N CA -0.391 52.555 53.050 -0.174 0.000 0.941 791 N CB 1.933 40.303 38.487 -0.194 0.000 1.123 791 N HN 0.300 nan 8.380 nan 0.000 0.486 792 V N 2.075 121.817 119.914 -0.288 0.000 2.876 792 V HA 0.466 4.573 4.120 -0.022 0.000 0.312 792 V C -0.967 174.936 176.094 -0.318 0.000 1.085 792 V CA -0.866 61.291 62.300 -0.239 0.000 0.945 792 V CB 1.390 33.241 31.823 0.048 0.000 1.017 792 V HN 0.458 nan 8.190 nan 0.000 0.428 793 F N 3.261 123.264 119.950 0.088 0.000 2.404 793 F HA 0.504 5.018 4.527 -0.022 0.000 0.358 793 F C 0.469 176.181 175.800 -0.147 0.000 1.120 793 F CA -0.563 57.438 58.000 0.000 0.000 1.144 793 F CB 0.760 39.745 39.000 -0.025 0.000 1.133 793 F HN 0.195 nan 8.300 nan 0.000 0.495 794 L N 4.709 125.947 121.223 0.024 0.000 2.514 794 L HA 0.034 4.361 4.340 -0.022 0.000 0.280 794 L C 0.590 177.235 176.870 -0.375 0.000 1.223 794 L CA -0.159 54.559 54.840 -0.205 0.000 0.864 794 L CB 0.312 42.397 42.059 0.044 0.000 1.118 794 L HN 0.445 nan 8.230 nan 0.000 0.494 795 K N 3.209 123.118 120.400 -0.819 0.000 2.379 795 K HA 0.039 4.346 4.320 -0.022 0.000 0.284 795 K C -0.263 176.314 176.600 -0.038 0.000 1.044 795 K CA -0.274 55.684 56.287 -0.549 0.000 0.974 795 K CB 0.474 32.430 32.500 -0.906 0.000 0.962 795 K HN 0.481 nan 8.250 nan 0.000 0.474 796 D N 1.401 121.804 120.400 0.006 0.000 2.545 796 D HA -0.007 4.619 4.640 -0.022 0.000 0.227 796 D C -0.523 175.863 176.300 0.142 0.000 1.150 796 D CA -0.318 53.746 54.000 0.107 0.000 1.046 796 D CB -0.137 40.713 40.800 0.083 0.000 1.098 796 D HN 0.282 nan 8.370 nan 0.000 0.502 797 S N 0.772 116.592 115.700 0.200 0.000 2.603 797 S HA 0.329 4.785 4.470 -0.022 0.000 0.274 797 S C 0.054 174.744 174.600 0.150 0.000 1.168 797 S CA -1.125 57.169 58.200 0.158 0.000 0.963 797 S CB 0.604 63.892 63.200 0.147 0.000 1.078 797 S HN 0.247 nan 8.310 nan 0.000 0.477 798 I N 1.455 122.123 120.570 0.163 0.000 3.349 798 I HA 0.333 4.490 4.170 -0.022 0.000 0.324 798 I C 0.420 176.550 176.117 0.021 0.000 1.103 798 I CA 0.523 61.931 61.300 0.180 0.000 2.716 798 I CB -2.202 35.999 38.000 0.335 0.000 1.772 798 I HN 0.733 nan 8.210 nan 0.000 1.271 799 T N 2.036 116.528 114.554 -0.102 0.000 2.896 799 T HA 0.596 4.932 4.350 -0.022 0.000 0.297 799 T C -0.161 174.307 174.700 -0.386 0.000 1.108 799 T CA -0.510 61.411 62.100 -0.299 0.000 1.004 799 T CB 1.516 70.072 68.868 -0.521 0.000 1.159 799 T HN 0.364 nan 8.240 nan 0.000 0.499 800 T N 3.620 117.979 114.554 -0.325 0.000 2.728 800 T HA 0.364 4.701 4.350 -0.022 0.000 0.296 800 T C -0.315 174.205 174.700 -0.301 0.000 0.940 800 T CA -0.220 61.744 62.100 -0.226 0.000 1.013 800 T CB -0.106 68.693 68.868 -0.115 0.000 0.912 800 T HN 0.503 nan 8.240 nan 0.000 0.484 801 W N 1.726 123.045 121.300 0.031 0.000 2.030 801 W HA 0.405 5.052 4.660 -0.022 0.000 0.360 801 W C 0.843 177.282 176.519 -0.134 0.000 1.370 801 W CA -0.624 56.734 57.345 0.022 0.000 1.433 801 W CB 0.641 30.180 29.460 0.132 0.000 1.204 801 W HN 0.428 nan 8.180 nan 0.000 0.649 802 E N 1.536 121.821 120.200 0.141 0.000 2.551 802 E HA 0.146 4.483 4.350 -0.022 0.000 0.321 802 E C -1.503 174.989 176.600 -0.180 0.000 0.975 802 E CA -0.565 55.739 56.400 -0.160 0.000 0.784 802 E CB 1.044 30.534 29.700 -0.350 0.000 1.493 802 E HN 0.168 nan 8.360 nan 0.000 0.385 803 I N 3.131 123.588 120.570 -0.189 0.000 2.452 803 I HA 0.069 4.226 4.170 -0.022 0.000 0.287 803 I C -0.518 175.535 176.117 -0.106 0.000 1.079 803 I CA -0.142 61.064 61.300 -0.156 0.000 1.387 803 I CB 0.138 38.086 38.000 -0.087 0.000 1.404 803 I HN 0.250 nan 8.210 nan 0.000 0.522 804 L N 6.950 128.123 121.223 -0.084 0.000 2.313 804 L HA 0.779 5.106 4.340 -0.022 0.000 0.283 804 L C 0.270 177.133 176.870 -0.011 0.000 1.013 804 L CA -0.889 53.936 54.840 -0.025 0.000 0.816 804 L CB 0.909 43.007 42.059 0.064 0.000 1.236 804 L HN 0.674 nan 8.230 nan 0.000 0.419 805 A N 2.911 125.720 122.820 -0.018 0.000 2.311 805 A HA 0.947 5.253 4.320 -0.022 0.000 0.334 805 A C -0.884 176.670 177.584 -0.050 0.000 1.139 805 A CA -0.603 51.409 52.037 -0.042 0.000 0.830 805 A CB 1.788 20.756 19.000 -0.055 0.000 1.234 805 A HN 0.439 nan 8.150 nan 0.000 0.483 806 V N 0.971 120.833 119.914 -0.087 0.000 2.663 806 V HA 0.418 4.525 4.120 -0.022 0.000 0.286 806 V C -0.489 175.454 176.094 -0.253 0.000 1.085 806 V CA -0.279 61.917 62.300 -0.173 0.000 0.916 806 V CB 1.587 33.317 31.823 -0.156 0.000 1.039 806 V HN 0.993 nan 8.190 nan 0.000 0.453 807 S N 5.144 120.694 115.700 -0.249 0.000 2.502 807 S HA 0.782 5.238 4.470 -0.022 0.000 0.304 807 S C -0.883 173.566 174.600 -0.252 0.000 1.097 807 S CA -0.517 57.550 58.200 -0.222 0.000 1.045 807 S CB 1.473 64.592 63.200 -0.134 0.000 1.019 807 S HN 0.785 nan 8.310 nan 0.000 0.481 808 L N 4.681 125.766 121.223 -0.230 0.000 2.272 808 L HA 0.726 5.053 4.340 -0.022 0.000 0.289 808 L C -0.144 176.677 176.870 -0.082 0.000 1.032 808 L CA -0.105 54.630 54.840 -0.175 0.000 0.810 808 L CB 1.430 43.399 42.059 -0.151 0.000 1.205 808 L HN 0.631 nan 8.230 nan 0.000 0.422 809 S N 2.944 118.604 115.700 -0.067 0.000 2.651 809 S HA 0.318 4.775 4.470 -0.022 0.000 0.291 809 S C -0.596 173.994 174.600 -0.017 0.000 1.141 809 S CA -0.751 57.425 58.200 -0.041 0.000 1.027 809 S CB 1.284 64.458 63.200 -0.042 0.000 1.043 809 S HN 0.812 nan 8.310 nan 0.000 0.530 810 D N 2.059 122.448 120.400 -0.017 0.000 2.348 810 D HA 0.157 4.784 4.640 -0.022 0.000 0.253 810 D C -0.364 175.934 176.300 -0.004 0.000 1.161 810 D CA 0.432 54.428 54.000 -0.007 0.000 0.876 810 D CB 0.258 41.043 40.800 -0.026 0.000 1.160 810 D HN 0.640 nan 8.370 nan 0.000 0.459 811 K N 2.979 123.386 120.400 0.011 0.000 3.689 811 K HA -0.225 4.082 4.320 -0.022 0.000 0.276 811 K C 0.490 177.094 176.600 0.008 0.000 0.932 811 K CA 0.377 56.671 56.287 0.013 0.000 0.758 811 K CB -0.222 32.282 32.500 0.006 0.000 1.500 811 K HN 0.380 nan 8.250 nan 0.000 0.448 812 K N -0.876 119.530 120.400 0.010 0.000 2.400 812 K HA 0.042 4.349 4.320 -0.022 0.000 0.155 812 K C 0.422 177.029 176.600 0.010 0.000 1.954 812 K CA 1.229 57.521 56.287 0.008 0.000 1.203 812 K CB 0.741 33.236 32.500 -0.007 0.000 2.000 812 K HN 0.647 nan 8.250 nan 0.000 0.532 813 G N 1.344 110.144 108.800 -0.000 0.000 2.483 813 G HA2 -0.101 3.845 3.960 -0.022 0.000 0.521 813 G HA3 -0.101 3.845 3.960 -0.022 0.000 0.521 813 G C -1.032 173.815 174.900 -0.089 0.000 1.278 813 G CA -0.381 44.708 45.100 -0.019 0.000 0.965 813 G HN 0.020 nan 8.290 nan 0.000 0.504 814 I N 0.138 120.609 120.570 -0.165 0.000 2.377 814 I HA 0.521 4.678 4.170 -0.022 0.000 0.293 814 I C 0.110 176.035 176.117 -0.320 0.000 0.987 814 I CA -0.566 60.561 61.300 -0.289 0.000 1.185 814 I CB 1.679 39.437 38.000 -0.404 0.000 1.341 814 I HN 0.722 nan 8.210 nan 0.000 0.455 815 c N 7.372 125.798 118.600 -0.289 0.000 2.364 815 c HA 0.498 5.054 4.570 -0.022 0.000 0.324 815 c C -0.032 173.915 174.090 -0.238 0.000 1.234 815 c CA -0.417 55.768 56.329 -0.239 0.000 1.417 815 c CB 0.678 43.105 42.510 -0.137 0.000 2.101 815 c HN 0.534 nan 8.230 nan 0.000 0.466 816 V N 7.787 127.558 119.914 -0.238 0.000 2.381 816 V HA 0.361 4.468 4.120 -0.022 0.000 0.257 816 V C 1.356 177.399 176.094 -0.085 0.000 1.057 816 V CA 0.569 62.768 62.300 -0.168 0.000 1.013 816 V CB -0.362 31.361 31.823 -0.167 0.000 1.069 816 V HN 1.139 nan 8.190 nan 0.000 0.484 817 A N 4.800 127.580 122.820 -0.067 0.000 2.290 817 A HA 0.055 4.362 4.320 -0.022 0.000 0.308 817 A C 0.441 178.027 177.584 0.004 0.000 1.246 817 A CA 0.393 52.410 52.037 -0.033 0.000 0.929 817 A CB 0.093 19.073 19.000 -0.033 0.000 1.125 817 A HN 0.747 nan 8.150 nan 0.000 0.522 818 D N -1.446 118.961 120.400 0.013 0.000 2.419 818 D HA 0.494 5.120 4.640 -0.022 0.000 0.234 818 D C -2.766 173.544 176.300 0.017 0.000 1.014 818 D CA -1.273 52.747 54.000 0.034 0.000 0.919 818 D CB 1.399 42.221 40.800 0.036 0.000 1.366 818 D HN 0.095 nan 8.370 nan 0.000 0.490 819 P HA -0.013 nan 4.420 nan 0.000 0.264 819 P C -0.852 176.427 177.300 -0.034 0.000 1.229 819 P CA 0.104 63.111 63.100 -0.155 0.000 0.780 819 P CB -0.261 31.277 31.700 -0.270 0.000 0.808 820 Y N 4.082 124.300 120.300 -0.137 0.000 2.650 820 Y HA 0.208 4.745 4.550 -0.022 0.000 0.343 820 Y C 0.675 176.534 175.900 -0.069 0.000 1.078 820 Y CA -1.750 56.301 58.100 -0.081 0.000 1.356 820 Y CB -0.314 38.106 38.460 -0.066 0.000 1.204 820 Y HN 0.348 nan 8.280 nan 0.000 0.508 821 E N 3.297 123.261 120.200 -0.393 0.000 2.415 821 E HA 0.391 4.728 4.350 -0.022 0.000 0.262 821 E C -1.305 174.961 176.600 -0.558 0.000 1.038 821 E CA -0.027 56.142 56.400 -0.385 0.000 0.921 821 E CB 0.612 30.212 29.700 -0.167 0.000 0.950 821 E HN 0.419 nan 8.360 nan 0.000 0.438 822 V N 4.242 123.985 119.914 -0.285 0.000 2.722 822 V HA 0.079 4.186 4.120 -0.022 0.000 0.260 822 V C -0.289 175.840 176.094 0.058 0.000 0.941 822 V CA -0.467 61.741 62.300 -0.153 0.000 0.888 822 V CB 1.070 32.759 31.823 -0.224 0.000 1.059 822 V HN 0.853 nan 8.190 nan 0.000 0.486 823 T N 1.511 116.136 114.554 0.119 0.000 2.814 823 T HA 0.564 4.901 4.350 -0.022 0.000 0.297 823 T C -0.281 174.568 174.700 0.248 0.000 0.956 823 T CA -0.285 61.883 62.100 0.112 0.000 1.123 823 T CB 1.243 70.136 68.868 0.043 0.000 0.902 823 T HN 0.257 nan 8.240 nan 0.000 0.528 824 V N 6.119 126.159 119.914 0.210 0.000 2.350 824 V HA 0.622 4.729 4.120 -0.022 0.000 0.276 824 V C 0.099 176.344 176.094 0.253 0.000 1.028 824 V CA -0.723 61.752 62.300 0.291 0.000 0.860 824 V CB 0.728 32.739 31.823 0.314 0.000 0.990 824 V HN 1.053 nan 8.190 nan 0.000 0.453 825 M N 4.045 123.825 119.600 0.301 0.000 2.745 825 M HA 0.683 5.150 4.480 -0.022 0.000 0.290 825 M C -1.205 175.230 176.300 0.226 0.000 1.262 825 M CA -0.410 55.072 55.300 0.304 0.000 0.795 825 M CB 2.351 35.180 32.600 0.382 0.000 1.758 825 M HN 0.628 nan 8.290 nan 0.000 0.461 826 Q N 0.375 120.241 119.800 0.110 0.000 2.430 826 Q HA 0.279 4.606 4.340 -0.022 0.000 0.253 826 Q C -1.331 174.482 176.000 -0.310 0.000 0.945 826 Q CA -0.372 55.340 55.803 -0.151 0.000 0.964 826 Q CB 1.359 29.948 28.738 -0.248 0.000 1.460 826 Q HN 0.872 nan 8.270 nan 0.000 0.428 827 D N 2.635 122.895 120.400 -0.233 0.000 2.348 827 D HA 0.061 4.688 4.640 -0.022 0.000 0.211 827 D C -0.428 175.766 176.300 -0.177 0.000 0.998 827 D CA 0.736 54.657 54.000 -0.132 0.000 0.873 827 D CB 0.503 41.248 40.800 -0.092 0.000 0.925 827 D HN 0.257 nan 8.370 nan 0.000 0.524 828 F N 1.123 120.791 119.950 -0.470 0.000 2.553 828 F HA 0.370 4.884 4.527 -0.022 0.000 0.335 828 F C -1.516 174.063 175.800 -0.367 0.000 1.148 828 F CA -1.080 56.705 58.000 -0.360 0.000 0.963 828 F CB 0.743 39.612 39.000 -0.218 0.000 1.217 828 F HN -0.390 nan 8.300 nan 0.000 0.441 829 F N 6.560 126.160 119.950 -0.582 0.000 2.556 829 F HA 0.632 5.146 4.527 -0.022 0.000 0.327 829 F C -0.451 174.960 175.800 -0.648 0.000 1.059 829 F CA -1.308 56.443 58.000 -0.415 0.000 0.953 829 F CB 2.076 41.068 39.000 -0.013 0.000 1.227 829 F HN 0.359 nan 8.300 nan 0.000 0.478 830 I N 2.503 122.998 120.570 -0.125 0.000 2.531 830 I HA 0.309 4.466 4.170 -0.022 0.000 0.283 830 I C -1.923 174.186 176.117 -0.013 0.000 1.083 830 I CA -0.289 60.905 61.300 -0.177 0.000 1.071 830 I CB 0.980 38.873 38.000 -0.179 0.000 1.210 830 I HN 0.554 nan 8.210 nan 0.000 0.450 831 D N 6.617 127.022 120.400 0.008 0.000 2.192 831 D HA 0.451 5.078 4.640 -0.022 0.000 0.246 831 D C -1.362 174.957 176.300 0.031 0.000 1.042 831 D CA -0.296 53.731 54.000 0.046 0.000 0.847 831 D CB 2.050 42.922 40.800 0.121 0.000 1.186 831 D HN 0.487 nan 8.370 nan 0.000 0.461 832 L N 3.826 125.077 121.223 0.047 0.000 2.296 832 L HA 0.528 4.855 4.340 -0.022 0.000 0.286 832 L C -0.904 176.014 176.870 0.080 0.000 1.023 832 L CA -0.428 54.451 54.840 0.066 0.000 0.812 832 L CB 0.972 43.065 42.059 0.056 0.000 1.223 832 L HN 0.309 nan 8.230 nan 0.000 0.421 833 R N 6.481 127.055 120.500 0.123 0.000 2.295 833 R HA 0.601 4.928 4.340 -0.022 0.000 0.324 833 R C -1.271 175.184 176.300 0.257 0.000 0.968 833 R CA -0.451 55.768 56.100 0.199 0.000 0.837 833 R CB 1.078 31.508 30.300 0.217 0.000 1.133 833 R HN 0.675 nan 8.270 nan 0.000 0.450 834 L N 4.377 125.675 121.223 0.125 0.000 2.370 834 L HA 0.557 4.884 4.340 -0.022 0.000 0.266 834 L C -2.049 174.612 176.870 -0.348 0.000 1.002 834 L CA -2.216 52.533 54.840 -0.152 0.000 0.818 834 L CB 2.587 44.553 42.059 -0.154 0.000 1.325 834 L HN 0.297 nan 8.230 nan 0.000 0.418 835 P HA -0.003 nan 4.420 nan 0.000 0.276 835 P C 0.239 177.404 177.300 -0.224 0.000 1.230 835 P CA -0.252 62.467 63.100 -0.635 0.000 0.776 835 P CB 0.797 32.036 31.700 -0.769 0.000 0.888 836 Y N 2.771 123.001 120.300 -0.117 0.000 2.172 836 Y HA -0.263 4.274 4.550 -0.022 0.000 0.280 836 Y C 1.025 176.878 175.900 -0.078 0.000 1.209 836 Y CA 2.286 60.349 58.100 -0.062 0.000 1.171 836 Y CB -0.068 38.387 38.460 -0.009 0.000 0.965 836 Y HN 0.518 nan 8.280 nan 0.000 0.520 837 S N -1.661 113.905 115.700 -0.225 0.000 2.656 837 S HA 0.746 5.203 4.470 -0.022 0.000 0.273 837 S C -1.762 172.745 174.600 -0.156 0.000 1.168 837 S CA -0.189 57.847 58.200 -0.274 0.000 0.817 837 S CB 1.369 64.504 63.200 -0.107 0.000 1.146 837 S HN 0.082 nan 8.310 nan 0.000 0.475 838 V N 1.381 121.207 119.914 -0.148 0.000 2.969 838 V HA 0.596 4.703 4.120 -0.022 0.000 0.304 838 V C -0.597 175.442 176.094 -0.093 0.000 1.192 838 V CA -0.712 61.516 62.300 -0.120 0.000 0.962 838 V CB 1.568 33.293 31.823 -0.163 0.000 1.045 838 V HN 1.030 nan 8.190 nan 0.000 0.428 839 V N 5.058 124.931 119.914 -0.068 0.000 2.370 839 V HA 0.591 4.697 4.120 -0.022 0.000 0.279 839 V C 0.673 176.719 176.094 -0.080 0.000 1.029 839 V CA -0.566 61.694 62.300 -0.066 0.000 0.870 839 V CB 1.195 32.992 31.823 -0.043 0.000 0.984 839 V HN 1.045 nan 8.190 nan 0.000 0.451 840 R N 5.261 125.707 120.500 -0.089 0.000 2.598 840 R HA -0.071 4.256 4.340 -0.022 0.000 0.266 840 R C 0.230 176.415 176.300 -0.192 0.000 0.977 840 R CA 1.065 57.099 56.100 -0.110 0.000 1.097 840 R CB -0.280 29.959 30.300 -0.102 0.000 0.911 840 R HN 0.914 nan 8.270 nan 0.000 0.419 841 N N 0.434 119.013 118.700 -0.201 0.000 2.756 841 N HA -0.188 4.539 4.740 -0.022 0.000 0.248 841 N C -1.226 174.207 175.510 -0.128 0.000 1.062 841 N CA 1.628 54.513 53.050 -0.275 0.000 0.696 841 N CB -0.747 37.294 38.487 -0.742 0.000 0.946 841 N HN 0.831 nan 8.380 nan 0.000 0.548 842 E N 0.283 120.441 120.200 -0.070 0.000 2.290 842 E HA 0.261 4.598 4.350 -0.022 0.000 0.274 842 E C -1.111 175.473 176.600 -0.026 0.000 0.889 842 E CA -0.449 55.938 56.400 -0.022 0.000 0.760 842 E CB 1.245 30.931 29.700 -0.024 0.000 1.206 842 E HN 0.087 nan 8.360 nan 0.000 0.419 843 Q N 1.777 121.574 119.800 -0.004 0.000 2.279 843 Q HA 0.407 4.734 4.340 -0.022 0.000 0.256 843 Q C -1.051 174.950 176.000 0.003 0.000 0.937 843 Q CA -0.332 55.471 55.803 0.000 0.000 0.933 843 Q CB 1.796 30.543 28.738 0.015 0.000 1.189 843 Q HN 0.237 nan 8.270 nan 0.000 0.417 844 V N 2.297 122.203 119.914 -0.013 0.000 2.588 844 V HA 0.247 4.354 4.120 -0.022 0.000 0.304 844 V C -0.481 175.630 176.094 0.027 0.000 1.042 844 V CA -0.835 61.457 62.300 -0.013 0.000 0.877 844 V CB 1.799 33.561 31.823 -0.103 0.000 0.996 844 V HN 0.759 nan 8.190 nan 0.000 0.425 845 E N 5.680 125.935 120.200 0.092 0.000 1.986 845 E HA 0.277 4.614 4.350 -0.022 0.000 0.264 845 E C 0.078 176.805 176.600 0.212 0.000 1.023 845 E CA -0.541 55.934 56.400 0.126 0.000 0.834 845 E CB 0.601 30.363 29.700 0.104 0.000 1.111 845 E HN 0.715 nan 8.360 nan 0.000 0.417 846 I N 1.322 121.998 120.570 0.177 0.000 3.418 846 I HA 0.405 4.562 4.170 -0.022 0.000 0.279 846 I C -0.311 175.953 176.117 0.246 0.000 1.143 846 I CA -0.582 60.868 61.300 0.251 0.000 0.983 846 I CB 0.455 38.516 38.000 0.101 0.000 1.558 846 I HN 0.574 nan 8.210 nan 0.000 0.766 847 R N 1.551 122.193 120.500 0.236 0.000 2.536 847 R HA 0.766 5.092 4.340 -0.022 0.000 0.269 847 R C -1.550 174.821 176.300 0.119 0.000 1.113 847 R CA -0.756 55.426 56.100 0.137 0.000 0.948 847 R CB 1.026 31.348 30.300 0.037 0.000 1.237 847 R HN 0.863 nan 8.270 nan 0.000 0.441 848 A N 4.318 127.210 122.820 0.120 0.000 2.327 848 A HA 0.653 4.960 4.320 -0.022 0.000 0.283 848 A C -0.240 177.309 177.584 -0.059 0.000 1.127 848 A CA -0.766 51.317 52.037 0.077 0.000 0.810 848 A CB 0.423 19.526 19.000 0.172 0.000 1.066 848 A HN 0.697 nan 8.150 nan 0.000 0.492 849 I N 2.704 123.194 120.570 -0.134 0.000 2.418 849 I HA 0.278 4.435 4.170 -0.022 0.000 0.287 849 I C -0.923 174.867 176.117 -0.545 0.000 1.008 849 I CA -0.209 60.889 61.300 -0.338 0.000 1.104 849 I CB 1.558 39.353 38.000 -0.343 0.000 1.264 849 I HN 0.473 nan 8.210 nan 0.000 0.438 850 L N 6.788 127.674 121.223 -0.561 0.000 2.282 850 L HA 0.480 4.806 4.340 -0.022 0.000 0.288 850 L C -1.134 175.326 176.870 -0.682 0.000 1.033 850 L CA -0.690 53.827 54.840 -0.538 0.000 0.807 850 L CB 0.711 42.621 42.059 -0.248 0.000 1.209 850 L HN 0.402 nan 8.230 nan 0.000 0.423 851 Y N 2.161 122.272 120.300 -0.315 0.000 2.377 851 Y HA 0.356 4.892 4.550 -0.022 0.000 0.339 851 Y C 0.328 175.946 175.900 -0.470 0.000 1.011 851 Y CA -1.096 56.748 58.100 -0.427 0.000 1.093 851 Y CB 1.464 39.645 38.460 -0.465 0.000 1.201 851 Y HN 0.565 nan 8.280 nan 0.000 0.455 852 N N 2.134 120.641 118.700 -0.323 0.000 2.762 852 N HA 0.064 4.791 4.740 -0.022 0.000 0.252 852 N C -1.062 174.334 175.510 -0.191 0.000 1.269 852 N CA -0.602 52.348 53.050 -0.166 0.000 0.799 852 N CB -0.202 38.281 38.487 -0.007 0.000 1.173 852 N HN 0.545 nan 8.380 nan 0.000 0.516 853 Y N -0.063 120.290 120.300 0.089 0.000 2.619 853 Y HA 0.122 4.659 4.550 -0.022 0.000 0.308 853 Y C 1.216 177.147 175.900 0.053 0.000 1.192 853 Y CA -0.233 57.914 58.100 0.079 0.000 1.319 853 Y CB -0.402 38.114 38.460 0.092 0.000 1.030 853 Y HN 0.321 nan 8.280 nan 0.000 0.517 854 R N 2.244 122.799 120.500 0.093 0.000 2.585 854 R HA -0.031 4.296 4.340 -0.022 0.000 0.275 854 R C -0.216 176.127 176.300 0.072 0.000 1.018 854 R CA 0.023 56.155 56.100 0.053 0.000 1.072 854 R CB 0.018 30.311 30.300 -0.013 0.000 0.953 854 R HN 0.230 nan 8.270 nan 0.000 0.419 855 E N 3.088 123.332 120.200 0.072 0.000 2.259 855 E HA 0.364 4.701 4.350 -0.022 0.000 0.281 855 E C 0.182 176.810 176.600 0.048 0.000 1.027 855 E CA 0.781 57.223 56.400 0.070 0.000 0.838 855 E CB 0.813 30.559 29.700 0.075 0.000 1.066 855 E HN 0.674 nan 8.360 nan 0.000 0.401 856 A N 3.552 126.398 122.820 0.043 0.000 3.408 856 A HA -0.311 3.996 4.320 -0.022 0.000 0.269 856 A C -0.033 177.565 177.584 0.024 0.000 1.124 856 A CA 2.043 54.099 52.037 0.032 0.000 0.999 856 A CB -1.877 17.142 19.000 0.032 0.000 1.067 856 A HN 0.673 nan 8.150 nan 0.000 0.815 857 E N 0.130 120.342 120.200 0.020 0.000 2.207 857 E HA 0.501 4.838 4.350 -0.022 0.000 0.270 857 E C -0.806 175.792 176.600 -0.002 0.000 0.927 857 E CA -1.110 55.297 56.400 0.011 0.000 0.799 857 E CB 0.782 30.488 29.700 0.010 0.000 1.172 857 E HN 0.403 nan 8.360 nan 0.000 0.404 858 N N 2.417 121.112 118.700 -0.008 0.000 2.425 858 N HA 0.219 4.946 4.740 -0.022 0.000 0.268 858 N C -0.921 174.566 175.510 -0.039 0.000 0.991 858 N CA -0.423 52.613 53.050 -0.024 0.000 0.931 858 N CB 1.024 39.495 38.487 -0.026 0.000 1.130 858 N HN 0.294 nan 8.380 nan 0.000 0.493 859 L N 1.791 122.979 121.223 -0.058 0.000 2.278 859 L HA 0.317 4.644 4.340 -0.022 0.000 0.287 859 L C 0.895 177.700 176.870 -0.109 0.000 1.072 859 L CA -0.166 54.617 54.840 -0.095 0.000 0.819 859 L CB 0.201 42.173 42.059 -0.145 0.000 1.176 859 L HN 0.332 nan 8.230 nan 0.000 0.435 860 K N 2.734 123.061 120.400 -0.121 0.000 2.205 860 K HA 0.603 4.910 4.320 -0.022 0.000 0.279 860 K C -1.004 175.454 176.600 -0.237 0.000 1.027 860 K CA -0.364 55.779 56.287 -0.239 0.000 0.932 860 K CB 1.177 33.491 32.500 -0.309 0.000 1.032 860 K HN 0.396 nan 8.250 nan 0.000 0.466 861 V N 3.036 122.792 119.914 -0.264 0.000 3.114 861 V HA 0.449 4.556 4.120 -0.022 0.000 0.308 861 V C -1.221 174.842 176.094 -0.050 0.000 1.168 861 V CA -1.055 61.189 62.300 -0.094 0.000 1.015 861 V CB 2.068 33.881 31.823 -0.017 0.000 1.050 861 V HN 0.790 nan 8.190 nan 0.000 0.433 862 R N 1.977 122.548 120.500 0.118 0.000 2.422 862 R HA 0.703 5.030 4.340 -0.022 0.000 0.307 862 R C -1.142 175.214 176.300 0.094 0.000 1.004 862 R CA -0.316 55.864 56.100 0.133 0.000 0.882 862 R CB 1.357 31.817 30.300 0.268 0.000 1.164 862 R HN 0.751 nan 8.270 nan 0.000 0.489 863 V N 0.227 120.185 119.914 0.073 0.000 2.732 863 V HA 0.758 4.864 4.120 -0.022 0.000 0.310 863 V C -0.469 175.670 176.094 0.076 0.000 1.053 863 V CA -0.698 61.661 62.300 0.099 0.000 0.957 863 V CB 1.782 33.682 31.823 0.129 0.000 1.018 863 V HN 0.869 nan 8.190 nan 0.000 0.452 864 E N 2.250 122.500 120.200 0.084 0.000 2.343 864 E HA 0.509 4.846 4.350 -0.022 0.000 0.278 864 E C -2.165 174.438 176.600 0.005 0.000 0.910 864 E CA -0.973 55.451 56.400 0.041 0.000 0.757 864 E CB 2.636 32.341 29.700 0.008 0.000 1.218 864 E HN 0.848 nan 8.360 nan 0.000 0.435 865 L N 5.530 126.710 121.223 -0.072 0.000 2.264 865 L HA 0.371 4.697 4.340 -0.022 0.000 0.287 865 L C -0.889 175.955 176.870 -0.044 0.000 1.039 865 L CA -0.350 54.350 54.840 -0.234 0.000 0.829 865 L CB 0.596 42.253 42.059 -0.670 0.000 1.211 865 L HN 0.553 nan 8.230 nan 0.000 0.427 866 L N 4.803 126.018 121.223 -0.013 0.000 2.525 866 L HA 0.005 4.332 4.340 -0.022 0.000 0.278 866 L C -0.147 176.745 176.870 0.037 0.000 1.218 866 L CA -0.087 54.772 54.840 0.033 0.000 0.878 866 L CB -0.211 41.860 42.059 0.021 0.000 1.127 866 L HN 0.601 nan 8.230 nan 0.000 0.492 867 Y N 4.574 124.840 120.300 -0.057 0.000 2.442 867 Y HA 0.139 4.676 4.550 -0.022 0.000 0.330 867 Y C 0.027 175.807 175.900 -0.201 0.000 1.129 867 Y CA -0.079 57.956 58.100 -0.108 0.000 1.365 867 Y CB 0.502 38.913 38.460 -0.082 0.000 1.233 867 Y HN 0.568 nan 8.280 nan 0.000 0.529 868 N N 7.660 125.666 118.700 -1.156 0.000 2.296 868 N HA 0.294 5.021 4.740 -0.022 0.000 0.294 868 N C -2.331 172.274 175.510 -1.508 0.000 1.033 868 N CA -2.186 50.094 53.050 -1.284 0.000 0.839 868 N CB 2.480 40.184 38.487 -1.305 0.000 1.395 868 N HN 0.451 nan 8.380 nan 0.000 0.479 869 P HA -0.014 nan 4.420 nan 0.000 0.230 869 P C 0.697 177.665 177.300 -0.554 0.000 1.158 869 P CA 0.526 63.223 63.100 -0.672 0.000 0.769 869 P CB 0.334 31.835 31.700 -0.331 0.000 0.807 870 A N -0.611 121.752 122.820 -0.761 0.000 2.119 870 A HA 0.171 4.477 4.320 -0.022 0.000 0.216 870 A C 0.744 178.155 177.584 -0.288 0.000 1.152 870 A CA 0.504 52.159 52.037 -0.637 0.000 0.708 870 A CB -0.821 17.503 19.000 -1.126 0.000 0.805 870 A HN 0.326 nan 8.150 nan 0.000 0.460 871 F N -4.683 115.117 119.950 -0.250 0.000 2.645 871 F HA 0.609 5.123 4.527 -0.022 0.000 0.310 871 F C -0.589 175.141 175.800 -0.117 0.000 1.102 871 F CA -2.039 55.872 58.000 -0.148 0.000 0.952 871 F CB 0.137 39.075 39.000 -0.104 0.000 1.326 871 F HN -0.216 nan 8.300 nan 0.000 0.456 872 c N 2.153 120.840 118.600 0.146 0.000 2.463 872 c HA 0.825 5.381 4.570 -0.022 0.000 0.380 872 c C 0.194 174.369 174.090 0.142 0.000 1.264 872 c CA 0.114 56.499 56.329 0.093 0.000 2.161 872 c CB 0.200 42.742 42.510 0.053 0.000 2.515 872 c HN 0.974 nan 8.230 nan 0.000 0.565 873 S N 1.949 117.716 115.700 0.113 0.000 2.611 873 S HA 0.405 4.862 4.470 -0.022 0.000 0.268 873 S C 0.011 174.642 174.600 0.051 0.000 1.156 873 S CA -0.776 57.485 58.200 0.101 0.000 0.817 873 S CB 0.469 63.748 63.200 0.132 0.000 1.122 873 S HN 0.519 nan 8.310 nan 0.000 0.466 874 L N 0.520 121.729 121.223 -0.023 0.000 2.353 874 L HA 0.104 4.431 4.340 -0.022 0.000 0.220 874 L C 1.431 178.260 176.870 -0.068 0.000 1.133 874 L CA 1.230 55.995 54.840 -0.124 0.000 0.798 874 L CB -0.628 41.192 42.059 -0.399 0.000 0.922 874 L HN 0.871 nan 8.230 nan 0.000 0.445 875 A N -0.151 122.687 122.820 0.030 0.000 2.354 875 A HA 0.406 4.712 4.320 -0.022 0.000 0.281 875 A C 0.188 177.855 177.584 0.138 0.000 1.174 875 A CA -0.130 51.982 52.037 0.125 0.000 0.828 875 A CB 0.156 19.266 19.000 0.184 0.000 1.099 875 A HN 0.088 nan 8.150 nan 0.000 0.516 876 T N 1.932 116.475 114.554 -0.018 0.000 2.927 876 T HA 0.465 4.802 4.350 -0.022 0.000 0.281 876 T C 1.807 176.061 174.700 -0.743 0.000 0.998 876 T CA 0.222 62.180 62.100 -0.236 0.000 1.019 876 T CB 1.556 70.331 68.868 -0.156 0.000 1.061 876 T HN 0.896 nan 8.240 nan 0.000 0.518 877 A N 1.496 123.559 122.820 -1.262 0.000 1.892 877 A HA -0.152 4.155 4.320 -0.022 0.000 0.218 877 A C 2.101 179.347 177.584 -0.562 0.000 1.188 877 A CA 2.105 53.308 52.037 -1.390 0.000 0.631 877 A CB -0.449 18.106 19.000 -0.741 0.000 0.822 877 A HN 0.628 nan 8.150 nan 0.000 0.447 878 K N 0.168 120.367 120.400 -0.336 0.000 2.244 878 K HA 0.048 4.355 4.320 -0.022 0.000 0.200 878 K C 0.371 176.896 176.600 -0.126 0.000 1.052 878 K CA 0.986 57.166 56.287 -0.177 0.000 0.980 878 K CB 0.098 32.528 32.500 -0.117 0.000 0.838 878 K HN 0.556 nan 8.250 nan 0.000 0.481 879 K N 2.430 122.757 120.400 -0.122 0.000 2.334 879 K HA 0.253 4.560 4.320 -0.022 0.000 0.265 879 K C -0.571 176.013 176.600 -0.026 0.000 1.039 879 K CA -0.820 55.434 56.287 -0.055 0.000 0.920 879 K CB 1.268 33.750 32.500 -0.030 0.000 1.160 879 K HN 0.018 nan 8.250 nan 0.000 0.451 880 R N 2.136 122.640 120.500 0.008 0.000 2.583 880 R HA 0.246 4.573 4.340 -0.022 0.000 0.268 880 R C -0.518 175.864 176.300 0.136 0.000 1.101 880 R CA -0.677 55.464 56.100 0.068 0.000 1.180 880 R CB 0.604 30.936 30.300 0.052 0.000 1.128 880 R HN 0.813 nan 8.270 nan 0.000 0.568 881 H N 0.217 119.312 119.070 0.043 0.000 2.667 881 H HA 0.326 4.869 4.556 -0.022 0.000 0.353 881 H C -1.586 173.793 175.328 0.084 0.000 1.072 881 H CA -0.822 55.263 56.048 0.061 0.000 1.214 881 H CB 1.868 31.677 29.762 0.077 0.000 1.600 881 H HN 0.752 nan 8.280 nan 0.000 0.527 882 Q N 3.320 122.919 119.800 -0.335 0.000 2.375 882 Q HA 0.428 4.755 4.340 -0.022 0.000 0.271 882 Q C -0.805 175.028 176.000 -0.279 0.000 1.074 882 Q CA -0.938 54.681 55.803 -0.307 0.000 0.808 882 Q CB 3.296 31.980 28.738 -0.090 0.000 1.327 882 Q HN 0.613 nan 8.270 nan 0.000 0.441 883 Q N 0.253 119.928 119.800 -0.208 0.000 2.359 883 Q HA 0.651 4.978 4.340 -0.022 0.000 0.275 883 Q C -1.002 174.965 176.000 -0.054 0.000 1.082 883 Q CA -0.703 55.037 55.803 -0.105 0.000 0.849 883 Q CB 2.522 31.214 28.738 -0.077 0.000 1.377 883 Q HN 0.479 nan 8.270 nan 0.000 0.452 884 T N 1.865 116.381 114.554 -0.063 0.000 2.848 884 T HA 0.688 5.025 4.350 -0.022 0.000 0.285 884 T C -0.798 173.816 174.700 -0.145 0.000 0.995 884 T CA -0.563 61.470 62.100 -0.113 0.000 0.970 884 T CB 0.564 69.342 68.868 -0.149 0.000 0.976 884 T HN 0.524 nan 8.240 nan 0.000 0.441 885 I N -0.809 119.665 120.570 -0.160 0.000 2.894 885 I HA 0.704 4.860 4.170 -0.022 0.000 0.302 885 I C -0.952 175.072 176.117 -0.156 0.000 1.188 885 I CA -0.981 60.236 61.300 -0.138 0.000 1.014 885 I CB 2.608 40.550 38.000 -0.097 0.000 1.242 885 I HN 0.352 nan 8.210 nan 0.000 0.430 886 T N 5.539 120.012 114.554 -0.135 0.000 2.770 886 T HA 0.533 4.870 4.350 -0.022 0.000 0.297 886 T C -0.077 174.574 174.700 -0.082 0.000 0.997 886 T CA -0.192 61.836 62.100 -0.121 0.000 0.949 886 T CB 0.579 69.377 68.868 -0.115 0.000 0.941 886 T HN 0.310 nan 8.240 nan 0.000 0.457 887 I N 6.185 126.717 120.570 -0.065 0.000 2.588 887 I HA 0.228 4.385 4.170 -0.022 0.000 0.283 887 I C -1.886 174.205 176.117 -0.043 0.000 1.119 887 I CA -1.959 59.311 61.300 -0.050 0.000 1.419 887 I CB 0.101 38.089 38.000 -0.020 0.000 1.394 887 I HN 0.371 nan 8.210 nan 0.000 0.562 888 P HA 0.078 nan 4.420 nan 0.000 0.274 888 P C 0.310 177.603 177.300 -0.011 0.000 1.260 888 P CA -0.100 62.985 63.100 -0.025 0.000 0.793 888 P CB 0.545 32.231 31.700 -0.023 0.000 1.048 889 A N 1.622 124.443 122.820 0.002 0.000 1.896 889 A HA -0.271 4.036 4.320 -0.022 0.000 0.220 889 A C 1.758 179.365 177.584 0.039 0.000 1.206 889 A CA 2.194 54.243 52.037 0.019 0.000 0.647 889 A CB -0.887 18.128 19.000 0.025 0.000 0.828 889 A HN 0.563 nan 8.150 nan 0.000 0.455 890 R N -1.887 118.644 120.500 0.052 0.000 2.517 890 R HA 0.236 4.562 4.340 -0.022 0.000 0.265 890 R C 0.367 176.716 176.300 0.082 0.000 0.921 890 R CA 0.199 56.359 56.100 0.100 0.000 1.054 890 R CB 0.462 30.851 30.300 0.147 0.000 1.340 890 R HN 0.356 nan 8.270 nan 0.000 0.551 891 S N 0.708 116.427 115.700 0.032 0.000 2.580 891 S HA 0.081 4.538 4.470 -0.022 0.000 0.261 891 S C 0.573 175.153 174.600 -0.034 0.000 1.366 891 S CA -0.036 58.166 58.200 0.005 0.000 0.996 891 S CB 1.030 64.216 63.200 -0.023 0.000 0.902 891 S HN 0.108 nan 8.310 nan 0.000 0.566 892 S N -0.421 115.240 115.700 -0.064 0.000 2.448 892 S HA 0.750 5.206 4.470 -0.022 0.000 0.271 892 S C -0.590 173.881 174.600 -0.214 0.000 1.145 892 S CA -0.684 57.398 58.200 -0.198 0.000 1.022 892 S CB 0.694 63.766 63.200 -0.214 0.000 1.202 892 S HN 0.507 nan 8.310 nan 0.000 0.479 893 V N 0.130 119.870 119.914 -0.290 0.000 2.915 893 V HA 0.558 4.665 4.120 -0.022 0.000 0.282 893 V C -1.328 174.634 176.094 -0.220 0.000 1.445 893 V CA -0.724 61.450 62.300 -0.210 0.000 0.953 893 V CB 1.510 33.227 31.823 -0.176 0.000 1.140 893 V HN 0.977 nan 8.190 nan 0.000 0.440 894 A N 4.171 126.892 122.820 -0.166 0.000 2.317 894 A HA 0.912 5.219 4.320 -0.022 0.000 0.327 894 A C -0.520 176.969 177.584 -0.159 0.000 1.178 894 A CA -0.413 51.532 52.037 -0.153 0.000 0.817 894 A CB 1.631 20.555 19.000 -0.126 0.000 1.189 894 A HN 1.785 nan 8.150 nan 0.000 0.489 895 V N 0.867 120.672 119.914 -0.182 0.000 2.380 895 V HA 0.616 4.723 4.120 -0.022 0.000 0.286 895 V C -2.791 173.069 176.094 -0.391 0.000 1.015 895 V CA -2.239 59.883 62.300 -0.296 0.000 0.834 895 V CB 1.259 32.870 31.823 -0.352 0.000 1.009 895 V HN 0.727 nan 8.190 nan 0.000 0.428 896 P HA 0.248 nan 4.420 nan 0.000 0.271 896 P C -1.325 175.793 177.300 -0.304 0.000 1.220 896 P CA 0.281 63.258 63.100 -0.205 0.000 0.768 896 P CB 0.350 31.984 31.700 -0.110 0.000 0.848 897 Y N 1.787 122.118 120.300 0.052 0.000 2.402 897 Y HA 0.204 4.740 4.550 -0.022 0.000 0.325 897 Y C 0.401 176.323 175.900 0.036 0.000 1.009 897 Y CA -1.215 56.916 58.100 0.053 0.000 1.278 897 Y CB 1.839 40.339 38.460 0.066 0.000 1.105 897 Y HN 0.077 nan 8.280 nan 0.000 0.476 898 V N 5.824 125.849 119.914 0.185 0.000 2.614 898 V HA 0.232 4.339 4.120 -0.022 0.000 0.291 898 V C 0.155 176.311 176.094 0.104 0.000 1.049 898 V CA 0.198 62.566 62.300 0.113 0.000 1.038 898 V CB 0.836 32.710 31.823 0.085 0.000 0.980 898 V HN 0.573 nan 8.190 nan 0.000 0.481 899 I N 4.138 124.742 120.570 0.058 0.000 2.894 899 I HA 0.499 4.655 4.170 -0.022 0.000 0.302 899 I C -1.175 174.948 176.117 0.011 0.000 1.188 899 I CA -0.807 60.516 61.300 0.037 0.000 1.014 899 I CB 2.679 40.641 38.000 -0.063 0.000 1.242 899 I HN 0.217 nan 8.210 nan 0.000 0.430 900 V N 5.170 125.111 119.914 0.046 0.000 2.439 900 V HA 0.297 4.404 4.120 -0.022 0.000 0.277 900 V C -2.498 173.633 176.094 0.061 0.000 1.008 900 V CA -1.605 60.707 62.300 0.021 0.000 0.846 900 V CB 1.366 33.196 31.823 0.012 0.000 1.031 900 V HN 0.499 nan 8.190 nan 0.000 0.441 901 P HA 0.333 nan 4.420 nan 0.000 0.271 901 P C 0.269 177.596 177.300 0.046 0.000 1.218 901 P CA 0.167 63.325 63.100 0.096 0.000 0.780 901 P CB 1.287 32.996 31.700 0.014 0.000 0.901 902 L N -0.164 121.097 121.223 0.063 0.000 2.738 902 L HA 0.269 4.595 4.340 -0.022 0.000 0.175 902 L C 0.478 177.355 176.870 0.011 0.000 1.125 902 L CA 0.139 54.971 54.840 -0.013 0.000 0.857 902 L CB -0.398 41.635 42.059 -0.043 0.000 1.300 902 L HN 0.124 nan 8.230 nan 0.000 0.499 903 K N 1.365 121.789 120.400 0.040 0.000 2.270 903 K HA 0.368 4.675 4.320 -0.022 0.000 0.276 903 K C -0.167 176.602 176.600 0.281 0.000 1.023 903 K CA 0.095 56.444 56.287 0.103 0.000 0.955 903 K CB 0.692 33.210 32.500 0.029 0.000 0.975 903 K HN 0.010 nan 8.250 nan 0.000 0.471 904 I N 1.124 121.779 120.570 0.142 0.000 3.378 904 I HA 0.250 4.407 4.170 -0.022 0.000 0.284 904 I C 1.142 177.258 176.117 -0.003 0.000 1.157 904 I CA 0.768 62.100 61.300 0.054 0.000 1.193 904 I CB 0.273 38.277 38.000 0.008 0.000 1.461 904 I HN 0.765 nan 8.210 nan 0.000 0.674 905 G N 1.533 110.252 108.800 -0.136 0.000 2.698 905 G HA2 -0.158 3.788 3.960 -0.022 0.000 0.225 905 G HA3 -0.158 3.788 3.960 -0.022 0.000 0.225 905 G C -0.906 173.678 174.900 -0.525 0.000 1.345 905 G CA -0.913 44.056 45.100 -0.218 0.000 0.871 905 G HN 0.552 nan 8.290 nan 0.000 0.540 906 L N 1.393 122.375 121.223 -0.401 0.000 2.275 906 L HA 0.552 4.879 4.340 -0.022 0.000 0.288 906 L C -0.135 176.549 176.870 -0.310 0.000 1.046 906 L CA -0.914 53.696 54.840 -0.383 0.000 0.805 906 L CB 1.250 43.213 42.059 -0.161 0.000 1.193 906 L HN 0.549 nan 8.230 nan 0.000 0.426 907 H N 2.130 121.216 119.070 0.027 0.000 2.572 907 H HA 0.381 4.924 4.556 -0.022 0.000 0.359 907 H C -0.547 174.841 175.328 0.100 0.000 1.134 907 H CA -0.884 55.226 56.048 0.103 0.000 1.187 907 H CB 1.917 31.851 29.762 0.286 0.000 1.597 907 H HN 0.452 nan 8.280 nan 0.000 0.524 908 E N 2.285 122.620 120.200 0.225 0.000 2.223 908 E HA 0.206 4.543 4.350 -0.022 0.000 0.282 908 E C -0.200 176.526 176.600 0.211 0.000 1.046 908 E CA -0.441 56.043 56.400 0.140 0.000 0.857 908 E CB 1.723 31.469 29.700 0.077 0.000 1.055 908 E HN 0.197 nan 8.360 nan 0.000 0.409 909 V N 3.326 123.327 119.914 0.144 0.000 2.435 909 V HA 0.283 4.390 4.120 -0.022 0.000 0.290 909 V C 0.180 176.316 176.094 0.069 0.000 1.030 909 V CA -0.460 61.930 62.300 0.149 0.000 0.881 909 V CB 1.638 33.447 31.823 -0.024 0.000 0.983 909 V HN 0.609 nan 8.190 nan 0.000 0.445 910 E N 3.339 123.574 120.200 0.058 0.000 2.292 910 E HA 0.706 5.043 4.350 -0.022 0.000 0.272 910 E C -2.086 174.515 176.600 0.002 0.000 0.881 910 E CA -0.449 55.968 56.400 0.028 0.000 0.754 910 E CB 2.507 32.225 29.700 0.030 0.000 1.201 910 E HN 0.430 nan 8.360 nan 0.000 0.425 911 V N 4.101 124.022 119.914 0.012 0.000 2.638 911 V HA 0.454 4.561 4.120 -0.022 0.000 0.306 911 V C -0.639 175.483 176.094 0.046 0.000 1.052 911 V CA -0.813 61.496 62.300 0.014 0.000 0.885 911 V CB 1.987 33.837 31.823 0.045 0.000 0.999 911 V HN 0.618 nan 8.190 nan 0.000 0.424 912 K N 2.718 123.150 120.400 0.053 0.000 2.281 912 K HA 0.961 5.268 4.320 -0.022 0.000 0.242 912 K C -0.708 175.948 176.600 0.093 0.000 0.971 912 K CA -0.755 55.572 56.287 0.067 0.000 0.834 912 K CB 2.637 35.166 32.500 0.049 0.000 1.181 912 K HN 0.797 nan 8.250 nan 0.000 0.435 913 A N 0.526 123.421 122.820 0.125 0.000 2.572 913 A HA 0.829 5.135 4.320 -0.022 0.000 0.295 913 A C -1.790 175.873 177.584 0.130 0.000 1.072 913 A CA -0.701 51.441 52.037 0.175 0.000 0.691 913 A CB 1.960 21.154 19.000 0.323 0.000 1.291 913 A HN 0.704 nan 8.150 nan 0.000 0.404 914 A N 0.686 123.538 122.820 0.053 0.000 2.488 914 A HA 0.673 4.980 4.320 -0.022 0.000 0.298 914 A C -0.919 176.595 177.584 -0.117 0.000 1.044 914 A CA -0.431 51.561 52.037 -0.075 0.000 0.693 914 A CB 1.186 20.124 19.000 -0.104 0.000 1.272 914 A HN 1.408 nan 8.150 nan 0.000 0.402 915 V N 2.445 122.206 119.914 -0.256 0.000 2.649 915 V HA 0.184 4.291 4.120 -0.022 0.000 0.292 915 V C -0.372 175.708 176.094 -0.024 0.000 1.055 915 V CA -0.117 62.049 62.300 -0.224 0.000 1.023 915 V CB 0.709 32.292 31.823 -0.400 0.000 0.992 915 V HN 0.740 nan 8.190 nan 0.000 0.480 916 Y N 3.103 123.320 120.300 -0.139 0.000 2.442 916 Y HA 0.119 4.656 4.550 -0.022 0.000 0.330 916 Y C 1.386 177.271 175.900 -0.024 0.000 1.129 916 Y CA -0.083 57.972 58.100 -0.075 0.000 1.365 916 Y CB -0.288 38.135 38.460 -0.062 0.000 1.233 916 Y HN 0.777 nan 8.280 nan 0.000 0.529 917 N N 2.802 121.505 118.700 0.005 0.000 2.699 917 N HA -0.290 4.437 4.740 -0.022 0.000 0.256 917 N C -1.148 174.370 175.510 0.012 0.000 0.993 917 N CA 0.523 53.573 53.050 -0.001 0.000 0.759 917 N CB -0.879 37.621 38.487 0.021 0.000 0.906 917 N HN 0.552 nan 8.380 nan 0.000 0.541 918 H N -0.886 118.169 119.070 -0.024 0.000 3.005 918 H HA 0.132 4.675 4.556 -0.022 0.000 0.311 918 H C -1.602 173.717 175.328 -0.014 0.000 1.366 918 H CA -0.502 55.543 56.048 -0.006 0.000 1.210 918 H CB 0.621 30.352 29.762 -0.052 0.000 1.894 918 H HN 0.043 nan 8.280 nan 0.000 0.520 919 F N 4.334 124.388 119.950 0.173 0.000 2.329 919 F HA 0.375 4.889 4.527 -0.022 0.000 0.362 919 F C -0.766 175.052 175.800 0.031 0.000 1.113 919 F CA -0.395 57.642 58.000 0.062 0.000 1.212 919 F CB -0.132 38.891 39.000 0.039 0.000 1.509 919 F HN 0.200 nan 8.300 nan 0.000 0.546 920 I N 2.959 123.344 120.570 -0.308 0.000 2.466 920 I HA 0.263 4.419 4.170 -0.022 0.000 0.289 920 I C -0.461 175.503 176.117 -0.253 0.000 1.026 920 I CA -0.663 60.502 61.300 -0.226 0.000 1.078 920 I CB 1.560 39.373 38.000 -0.310 0.000 1.249 920 I HN 0.243 nan 8.210 nan 0.000 0.429 921 S N 5.798 121.434 115.700 -0.108 0.000 2.756 921 S HA 0.596 5.053 4.470 -0.022 0.000 0.303 921 S C -1.372 173.274 174.600 0.078 0.000 1.135 921 S CA -0.427 57.745 58.200 -0.046 0.000 1.066 921 S CB 0.845 64.005 63.200 -0.066 0.000 1.008 921 S HN 0.679 nan 8.310 nan 0.000 0.482 922 D N 2.402 122.888 120.400 0.143 0.000 2.736 922 D HA 0.666 5.293 4.640 -0.022 0.000 0.223 922 D C -0.552 175.828 176.300 0.133 0.000 1.231 922 D CA -0.047 54.049 54.000 0.160 0.000 0.818 922 D CB 2.086 43.018 40.800 0.220 0.000 1.587 922 D HN 0.768 nan 8.370 nan 0.000 0.463 923 G N -0.124 108.732 108.800 0.093 0.000 2.660 923 G HA2 0.635 4.582 3.960 -0.022 0.000 0.290 923 G HA3 0.635 4.582 3.960 -0.022 0.000 0.290 923 G C -1.229 173.707 174.900 0.060 0.000 1.432 923 G CA -0.374 44.770 45.100 0.072 0.000 0.807 923 G HN 0.707 nan 8.290 nan 0.000 0.485 924 V N -2.028 117.916 119.914 0.050 0.000 2.971 924 V HA 0.939 5.045 4.120 -0.022 0.000 0.309 924 V C -0.915 175.201 176.094 0.037 0.000 1.130 924 V CA -1.215 61.112 62.300 0.044 0.000 0.964 924 V CB 1.671 33.520 31.823 0.043 0.000 1.029 924 V HN 1.207 nan 8.190 nan 0.000 0.427 925 K N 2.181 122.601 120.400 0.033 0.000 2.426 925 K HA 0.851 5.157 4.320 -0.022 0.000 0.251 925 K C -1.222 175.391 176.600 0.022 0.000 0.941 925 K CA -0.979 55.326 56.287 0.029 0.000 0.808 925 K CB 3.087 35.606 32.500 0.032 0.000 1.265 925 K HN 0.766 nan 8.250 nan 0.000 0.432 926 K N 0.732 121.141 120.400 0.015 0.000 2.509 926 K HA 0.362 4.669 4.320 -0.022 0.000 0.266 926 K C -1.176 175.417 176.600 -0.011 0.000 0.987 926 K CA -1.039 55.247 56.287 -0.001 0.000 0.868 926 K CB 2.549 35.044 32.500 -0.008 0.000 1.421 926 K HN 0.797 nan 8.250 nan 0.000 0.444 927 T N 0.716 115.251 114.554 -0.032 0.000 2.837 927 T HA 0.409 4.745 4.350 -0.022 0.000 0.285 927 T C -0.458 174.174 174.700 -0.113 0.000 0.984 927 T CA -0.776 61.295 62.100 -0.049 0.000 1.049 927 T CB 0.850 69.687 68.868 -0.052 0.000 0.947 927 T HN 0.390 nan 8.240 nan 0.000 0.472 928 L N 2.579 123.721 121.223 -0.136 0.000 2.277 928 L HA 0.441 4.768 4.340 -0.022 0.000 0.284 928 L C 0.002 176.726 176.870 -0.244 0.000 1.028 928 L CA -0.593 54.117 54.840 -0.217 0.000 0.835 928 L CB 0.628 42.513 42.059 -0.292 0.000 1.215 928 L HN 0.398 nan 8.230 nan 0.000 0.425 929 K N 4.468 124.702 120.400 -0.277 0.000 2.395 929 K HA 0.164 4.471 4.320 -0.022 0.000 0.283 929 K C -0.946 175.509 176.600 -0.243 0.000 1.068 929 K CA 0.026 56.144 56.287 -0.281 0.000 1.039 929 K CB 0.697 32.982 32.500 -0.358 0.000 0.924 929 K HN 0.497 nan 8.250 nan 0.000 0.468 930 V N 5.309 125.083 119.914 -0.234 0.000 2.277 930 V HA 0.131 4.238 4.120 -0.022 0.000 0.269 930 V C 0.235 176.255 176.094 -0.124 0.000 1.036 930 V CA -0.821 61.384 62.300 -0.158 0.000 0.821 930 V CB 1.221 32.986 31.823 -0.097 0.000 1.052 930 V HN 0.328 nan 8.190 nan 0.000 0.462 931 V N 8.019 127.869 119.914 -0.107 0.000 2.644 931 V HA 0.406 4.513 4.120 -0.022 0.000 0.295 931 V C -1.788 174.235 176.094 -0.118 0.000 1.053 931 V CA -1.739 60.503 62.300 -0.097 0.000 0.987 931 V CB 1.974 33.760 31.823 -0.061 0.000 1.006 931 V HN 0.652 nan 8.190 nan 0.000 0.472 932 P HA 0.164 nan 4.420 nan 0.000 0.274 932 P C -0.412 176.792 177.300 -0.159 0.000 1.231 932 P CA -0.355 62.622 63.100 -0.205 0.000 0.790 932 P CB 0.700 32.175 31.700 -0.375 0.000 0.951 933 E N 0.996 121.173 120.200 -0.038 0.000 2.435 933 E HA 0.311 4.647 4.350 -0.022 0.000 0.254 933 E C 0.702 177.326 176.600 0.041 0.000 1.289 933 E CA -0.170 56.247 56.400 0.028 0.000 0.983 933 E CB -0.734 29.039 29.700 0.121 0.000 1.010 933 E HN 0.792 nan 8.360 nan 0.000 0.509 934 G N -1.082 107.751 108.800 0.055 0.000 2.819 934 G HA2 -0.134 3.813 3.960 -0.022 0.000 0.682 934 G HA3 -0.134 3.813 3.960 -0.022 0.000 0.682 934 G C 0.012 174.978 174.900 0.110 0.000 1.481 934 G CA -0.239 44.901 45.100 0.066 0.000 0.904 934 G HN 1.054 nan 8.290 nan 0.000 0.563 935 V N -1.376 118.621 119.914 0.137 0.000 2.834 935 V HA 0.733 4.840 4.120 -0.022 0.000 0.301 935 V C 1.087 177.272 176.094 0.151 0.000 1.066 935 V CA -0.114 62.282 62.300 0.159 0.000 1.052 935 V CB 1.547 33.470 31.823 0.167 0.000 1.021 935 V HN 1.036 nan 8.190 nan 0.000 0.480 936 R N 2.479 123.053 120.500 0.123 0.000 2.296 936 R HA 0.509 4.836 4.340 -0.022 0.000 0.327 936 R C -1.044 175.131 176.300 -0.208 0.000 1.137 936 R CA -0.356 55.705 56.100 -0.064 0.000 1.020 936 R CB 0.534 30.809 30.300 -0.042 0.000 1.110 936 R HN 0.759 nan 8.270 nan 0.000 0.499 937 V N 4.629 124.301 119.914 -0.403 0.000 2.530 937 V HA 0.098 4.205 4.120 -0.022 0.000 0.282 937 V C 0.476 176.314 176.094 -0.426 0.000 1.048 937 V CA -0.313 61.720 62.300 -0.445 0.000 0.997 937 V CB 1.334 32.754 31.823 -0.672 0.000 0.987 937 V HN 0.747 nan 8.190 nan 0.000 0.477 938 N N 4.192 122.774 118.700 -0.196 0.000 2.813 938 N HA 0.125 4.852 4.740 -0.022 0.000 0.282 938 N C -0.174 175.320 175.510 -0.027 0.000 1.748 938 N CA -0.307 52.687 53.050 -0.093 0.000 0.860 938 N CB 0.619 39.060 38.487 -0.076 0.000 1.204 938 N HN 0.667 nan 8.380 nan 0.000 0.490 939 K N 1.424 121.845 120.400 0.034 0.000 2.402 939 K HA 0.009 4.316 4.320 -0.022 0.000 0.285 939 K C 0.077 176.691 176.600 0.023 0.000 1.054 939 K CA 0.048 56.367 56.287 0.054 0.000 1.001 939 K CB 0.393 32.989 32.500 0.161 0.000 0.946 939 K HN 0.226 nan 8.250 nan 0.000 0.473 940 T N 1.806 116.344 114.554 -0.028 0.000 2.814 940 T HA 0.129 4.466 4.350 -0.022 0.000 0.297 940 T C 1.012 175.688 174.700 -0.040 0.000 0.956 940 T CA -0.811 61.261 62.100 -0.046 0.000 1.123 940 T CB 1.107 69.918 68.868 -0.095 0.000 0.902 940 T HN 0.349 nan 8.240 nan 0.000 0.528 941 V N 3.572 123.469 119.914 -0.029 0.000 2.825 941 V HA 0.490 4.597 4.120 -0.022 0.000 0.246 941 V C 1.231 177.288 176.094 -0.061 0.000 1.068 941 V CA 1.100 63.378 62.300 -0.037 0.000 1.088 941 V CB -0.590 31.221 31.823 -0.020 0.000 0.733 941 V HN 1.198 nan 8.190 nan 0.000 0.468 942 A N -0.961 121.820 122.820 -0.065 0.000 2.599 942 A HA 0.695 5.002 4.320 -0.022 0.000 0.294 942 A C -1.651 175.882 177.584 -0.086 0.000 1.055 942 A CA -0.332 51.656 52.037 -0.082 0.000 0.683 942 A CB 1.808 20.746 19.000 -0.103 0.000 1.278 942 A HN 0.018 nan 8.150 nan 0.000 0.412 943 V N 1.951 121.804 119.914 -0.101 0.000 2.577 943 V HA 0.604 4.711 4.120 -0.022 0.000 0.294 943 V C -0.445 175.592 176.094 -0.096 0.000 1.052 943 V CA -0.383 61.848 62.300 -0.115 0.000 0.891 943 V CB 1.651 33.363 31.823 -0.185 0.000 1.017 943 V HN 0.930 nan 8.190 nan 0.000 0.436 944 R N 1.559 122.021 120.500 -0.063 0.000 2.673 944 R HA 0.661 4.988 4.340 -0.022 0.000 0.281 944 R C -0.350 175.940 176.300 -0.017 0.000 0.991 944 R CA -0.660 55.417 56.100 -0.039 0.000 0.896 944 R CB 2.391 32.672 30.300 -0.032 0.000 1.201 944 R HN 0.710 nan 8.270 nan 0.000 0.457 945 T N 1.805 116.361 114.554 0.003 0.000 2.904 945 T HA 0.391 4.728 4.350 -0.022 0.000 0.290 945 T C -0.154 174.571 174.700 0.041 0.000 1.018 945 T CA -0.458 61.658 62.100 0.026 0.000 1.075 945 T CB 0.419 69.315 68.868 0.046 0.000 0.986 945 T HN 0.325 nan 8.240 nan 0.000 0.523 946 L N 5.058 126.311 121.223 0.049 0.000 2.301 946 L HA 0.473 4.800 4.340 -0.022 0.000 0.278 946 L C 0.292 177.206 176.870 0.072 0.000 1.022 946 L CA -0.662 54.211 54.840 0.056 0.000 0.854 946 L CB 0.763 42.852 42.059 0.051 0.000 1.226 946 L HN 0.623 nan 8.230 nan 0.000 0.429 947 N N 4.496 123.246 118.700 0.083 0.000 2.725 947 N HA 0.249 4.975 4.740 -0.022 0.000 0.248 947 N C -2.181 173.387 175.510 0.098 0.000 1.402 947 N CA -1.632 51.480 53.050 0.103 0.000 0.766 947 N CB 1.601 40.173 38.487 0.143 0.000 1.223 947 N HN 0.081 nan 8.380 nan 0.000 0.515 948 P HA -0.204 nan 4.420 nan 0.000 0.218 948 P C 0.972 178.309 177.300 0.061 0.000 1.152 948 P CA 1.297 64.432 63.100 0.057 0.000 0.857 948 P CB 0.458 32.188 31.700 0.052 0.000 0.787 949 E N -1.957 118.291 120.200 0.081 0.000 2.208 949 E HA -0.219 4.118 4.350 -0.022 0.000 0.193 949 E C 1.687 178.364 176.600 0.128 0.000 0.988 949 E CA 0.795 57.247 56.400 0.087 0.000 0.828 949 E CB -0.185 29.565 29.700 0.083 0.000 0.763 949 E HN 0.313 nan 8.360 nan 0.000 0.478 950 H N -1.226 117.862 119.070 0.030 0.000 2.874 950 H HA 0.282 4.824 4.556 -0.022 0.000 0.264 950 H C 1.185 176.529 175.328 0.025 0.000 1.007 950 H CA 0.208 56.273 56.048 0.028 0.000 1.207 950 H CB 0.485 30.268 29.762 0.034 0.000 1.487 950 H HN 0.112 nan 8.280 nan 0.000 0.505 951 L N -0.453 120.752 121.223 -0.030 0.000 2.781 951 L HA 0.401 4.728 4.340 -0.022 0.000 0.245 951 L C 1.167 178.008 176.870 -0.048 0.000 1.118 951 L CA 0.114 54.903 54.840 -0.085 0.000 0.918 951 L CB 0.781 42.838 42.059 -0.005 0.000 1.246 951 L HN 0.219 nan 8.230 nan 0.000 0.526 952 G N -0.143 108.647 108.800 -0.016 0.000 2.476 952 G HA2 0.383 4.330 3.960 -0.022 0.000 0.269 952 G HA3 0.383 4.330 3.960 -0.022 0.000 0.269 952 G C -0.608 174.283 174.900 -0.016 0.000 1.195 952 G CA -0.165 44.931 45.100 -0.007 0.000 0.843 952 G HN 0.012 nan 8.290 nan 0.000 0.545 953 Q N 0.158 119.952 119.800 -0.011 0.000 2.466 953 Q HA 0.509 4.836 4.340 -0.022 0.000 0.242 953 Q C 0.494 176.494 176.000 -0.001 0.000 1.046 953 Q CA 0.323 56.120 55.803 -0.011 0.000 0.841 953 Q CB 1.207 29.938 28.738 -0.012 0.000 1.193 953 Q HN 1.199 nan 8.270 nan 0.000 0.508 954 G N 1.300 110.101 108.800 0.002 0.000 2.385 954 G HA2 -0.025 3.922 3.960 -0.022 0.000 0.294 954 G HA3 -0.025 3.922 3.960 -0.022 0.000 0.294 954 G C 0.831 175.738 174.900 0.011 0.000 1.070 954 G CA 0.434 45.539 45.100 0.007 0.000 1.172 954 G HN 1.205 nan 8.290 nan 0.000 0.516 955 G N -2.379 106.430 108.800 0.016 0.000 2.412 955 G HA2 -0.127 3.820 3.960 -0.022 0.000 0.252 955 G HA3 -0.127 3.820 3.960 -0.022 0.000 0.252 955 G C 0.629 175.542 174.900 0.021 0.000 1.038 955 G CA 0.880 45.992 45.100 0.021 0.000 0.628 955 G HN 1.854 nan 8.290 nan 0.000 0.531 956 V N 1.187 121.111 119.914 0.016 0.000 2.459 956 V HA 0.614 4.721 4.120 -0.022 0.000 0.295 956 V C 0.260 176.362 176.094 0.014 0.000 1.029 956 V CA -0.341 61.969 62.300 0.018 0.000 0.874 956 V CB 1.828 33.660 31.823 0.016 0.000 0.985 956 V HN 0.408 nan 8.190 nan 0.000 0.438 957 Q N 4.174 123.985 119.800 0.019 0.000 2.506 957 Q HA 0.446 4.772 4.340 -0.022 0.000 0.242 957 Q C -0.564 175.444 176.000 0.014 0.000 1.060 957 Q CA -0.773 55.038 55.803 0.014 0.000 0.826 957 Q CB 0.674 29.425 28.738 0.022 0.000 1.169 957 Q HN 0.660 nan 8.270 nan 0.000 0.521 958 R N 1.661 122.165 120.500 0.006 0.000 2.490 958 R HA 0.318 4.645 4.340 -0.022 0.000 0.278 958 R C -0.606 175.690 176.300 -0.006 0.000 1.069 958 R CA 0.013 56.116 56.100 0.006 0.000 1.080 958 R CB 0.778 31.079 30.300 0.001 0.000 1.030 958 R HN 0.409 nan 8.270 nan 0.000 0.491 959 E N 1.428 121.622 120.200 -0.011 0.000 2.263 959 E HA 0.134 4.471 4.350 -0.022 0.000 0.268 959 E C -1.072 175.484 176.600 -0.074 0.000 0.884 959 E CA -0.579 55.799 56.400 -0.036 0.000 0.766 959 E CB 2.161 31.846 29.700 -0.026 0.000 1.196 959 E HN 0.358 nan 8.360 nan 0.000 0.416 960 E N 2.960 123.098 120.200 -0.103 0.000 2.063 960 E HA 0.248 4.585 4.350 -0.022 0.000 0.265 960 E C -0.750 175.701 176.600 -0.248 0.000 0.919 960 E CA -0.636 55.672 56.400 -0.153 0.000 0.756 960 E CB 1.118 30.757 29.700 -0.102 0.000 1.120 960 E HN 0.183 nan 8.360 nan 0.000 0.414 961 V N 7.362 126.999 119.914 -0.461 0.000 2.530 961 V HA 0.245 4.352 4.120 -0.022 0.000 0.282 961 V C -1.690 174.097 176.094 -0.512 0.000 1.048 961 V CA -0.962 60.970 62.300 -0.613 0.000 0.997 961 V CB 1.124 32.214 31.823 -1.221 0.000 0.987 961 V HN 0.561 nan 8.190 nan 0.000 0.477 962 P HA 0.513 nan 4.420 nan 0.000 0.314 962 P C -1.116 176.106 177.300 -0.130 0.000 1.306 962 P CA -0.811 62.177 63.100 -0.187 0.000 0.782 962 P CB 1.614 33.236 31.700 -0.130 0.000 1.337 963 A N -0.308 122.461 122.820 -0.086 0.000 2.310 963 A HA 0.603 4.910 4.320 -0.022 0.000 0.299 963 A C 0.277 177.815 177.584 -0.077 0.000 1.147 963 A CA -0.576 51.423 52.037 -0.064 0.000 0.818 963 A CB -0.241 18.717 19.000 -0.069 0.000 1.096 963 A HN 0.568 nan 8.150 nan 0.000 0.495 964 A N 1.911 124.684 122.820 -0.079 0.000 2.450 964 A HA 0.403 4.710 4.320 -0.022 0.000 0.255 964 A C 0.154 177.652 177.584 -0.142 0.000 1.096 964 A CA -0.085 51.896 52.037 -0.094 0.000 0.778 964 A CB -0.191 18.756 19.000 -0.088 0.000 1.031 964 A HN 0.847 nan 8.150 nan 0.000 0.494 965 D N 2.675 123.007 120.400 -0.114 0.000 2.489 965 D HA 0.201 4.827 4.640 -0.022 0.000 0.237 965 D C 0.135 176.325 176.300 -0.183 0.000 1.212 965 D CA 0.151 54.078 54.000 -0.122 0.000 1.058 965 D CB -0.462 40.298 40.800 -0.066 0.000 1.098 965 D HN 0.427 nan 8.370 nan 0.000 0.509 966 L N 2.535 123.575 121.223 -0.304 0.000 2.955 966 L HA 0.113 4.439 4.340 -0.022 0.000 0.238 966 L C 1.826 178.547 176.870 -0.248 0.000 1.359 966 L CA -0.310 54.240 54.840 -0.483 0.000 1.214 966 L CB -0.520 41.154 42.059 -0.642 0.000 1.600 966 L HN 0.322 nan 8.230 nan 0.000 0.442 967 S N -0.996 114.626 115.700 -0.130 0.000 2.474 967 S HA -0.138 4.319 4.470 -0.022 0.000 0.235 967 S C 1.035 175.641 174.600 0.009 0.000 0.997 967 S CA 0.844 59.007 58.200 -0.062 0.000 0.949 967 S CB -0.243 62.932 63.200 -0.041 0.000 0.766 967 S HN 0.664 nan 8.310 nan 0.000 0.517 968 D N 1.167 121.600 120.400 0.055 0.000 2.643 968 D HA 0.101 4.728 4.640 -0.022 0.000 0.244 968 D C 0.197 176.620 176.300 0.205 0.000 1.257 968 D CA -0.577 53.494 54.000 0.118 0.000 0.831 968 D CB -0.728 40.153 40.800 0.134 0.000 1.043 968 D HN 0.723 nan 8.370 nan 0.000 0.488 969 Q N -0.076 119.850 119.800 0.210 0.000 2.267 969 Q HA 0.369 4.696 4.340 -0.022 0.000 0.255 969 Q C -0.336 175.795 176.000 0.219 0.000 0.923 969 Q CA -0.998 55.002 55.803 0.328 0.000 0.925 969 Q CB 1.744 30.656 28.738 0.290 0.000 1.195 969 Q HN -0.098 nan 8.270 nan 0.000 0.417 970 V N 6.201 126.209 119.914 0.156 0.000 2.536 970 V HA -0.101 4.006 4.120 -0.022 0.000 0.287 970 V C -1.391 174.589 176.094 -0.190 0.000 0.979 970 V CA -0.445 61.818 62.300 -0.061 0.000 1.161 970 V CB -0.168 31.716 31.823 0.101 0.000 0.915 970 V HN 0.895 nan 8.190 nan 0.000 0.467 971 P HA -0.284 nan 4.420 nan 0.000 0.230 971 P C 1.249 178.055 177.300 -0.823 0.000 1.124 971 P CA 2.193 64.682 63.100 -1.019 0.000 0.985 971 P CB 0.186 31.242 31.700 -1.073 0.000 0.774 972 D N -2.482 117.737 120.400 -0.302 0.000 2.349 972 D HA -0.012 4.614 4.640 -0.022 0.000 0.214 972 D C 0.072 176.383 176.300 0.018 0.000 1.063 972 D CA 0.117 54.027 54.000 -0.151 0.000 0.847 972 D CB -0.267 40.505 40.800 -0.046 0.000 0.933 972 D HN 0.191 nan 8.370 nan 0.000 0.513 973 T N -2.049 112.557 114.554 0.086 0.000 2.868 973 T HA 0.265 4.602 4.350 -0.022 0.000 0.292 973 T C 0.584 175.446 174.700 0.269 0.000 1.028 973 T CA -0.633 61.580 62.100 0.188 0.000 1.059 973 T CB 1.670 70.692 68.868 0.256 0.000 0.991 973 T HN -0.005 nan 8.240 nan 0.000 0.531 974 E N 0.534 120.880 120.200 0.244 0.000 3.099 974 E HA 0.581 4.918 4.350 -0.022 0.000 0.259 974 E C -0.314 176.409 176.600 0.205 0.000 1.274 974 E CA -0.956 55.569 56.400 0.208 0.000 1.111 974 E CB 0.955 30.744 29.700 0.149 0.000 1.327 974 E HN 0.861 nan 8.360 nan 0.000 0.652 975 S N -0.336 115.444 115.700 0.134 0.000 2.548 975 S HA 0.310 4.766 4.470 -0.022 0.000 0.278 975 S C -1.192 173.447 174.600 0.065 0.000 1.150 975 S CA -0.978 57.290 58.200 0.113 0.000 0.907 975 S CB 1.709 64.958 63.200 0.082 0.000 1.108 975 S HN 0.497 nan 8.310 nan 0.000 0.459 976 E N 1.265 121.500 120.200 0.058 0.000 2.199 976 E HA 0.530 4.867 4.350 -0.022 0.000 0.265 976 E C -1.229 175.388 176.600 0.029 0.000 0.882 976 E CA -0.466 55.954 56.400 0.033 0.000 0.759 976 E CB 1.809 31.527 29.700 0.029 0.000 1.148 976 E HN 0.712 nan 8.360 nan 0.000 0.412 977 T N 4.089 118.652 114.554 0.015 0.000 2.809 977 T HA 0.347 4.683 4.350 -0.022 0.000 0.296 977 T C -0.799 173.902 174.700 0.002 0.000 1.015 977 T CA -0.743 61.369 62.100 0.021 0.000 0.954 977 T CB 0.330 69.218 68.868 0.034 0.000 0.950 977 T HN 0.333 nan 8.240 nan 0.000 0.450 978 K N 5.142 125.545 120.400 0.006 0.000 2.234 978 K HA 0.487 4.794 4.320 -0.022 0.000 0.282 978 K C -0.276 176.323 176.600 -0.002 0.000 1.039 978 K CA -0.569 55.712 56.287 -0.010 0.000 0.928 978 K CB 1.384 33.878 32.500 -0.009 0.000 1.039 978 K HN 0.611 nan 8.250 nan 0.000 0.470 979 I N 4.464 125.018 120.570 -0.027 0.000 2.339 979 I HA 0.249 4.406 4.170 -0.022 0.000 0.290 979 I C -0.889 175.207 176.117 -0.035 0.000 0.994 979 I CA -1.080 60.213 61.300 -0.012 0.000 1.191 979 I CB 1.137 39.089 38.000 -0.080 0.000 1.343 979 I HN 0.354 nan 8.210 nan 0.000 0.458 980 L N 8.394 129.602 121.223 -0.024 0.000 2.409 980 L HA 0.603 4.930 4.340 -0.022 0.000 0.272 980 L C -1.270 175.573 176.870 -0.046 0.000 0.980 980 L CA -0.253 54.556 54.840 -0.051 0.000 0.826 980 L CB 1.643 43.675 42.059 -0.045 0.000 1.268 980 L HN 0.427 nan 8.230 nan 0.000 0.407 981 L N 4.512 125.691 121.223 -0.073 0.000 2.334 981 L HA 0.653 4.980 4.340 -0.022 0.000 0.275 981 L C -0.441 176.408 176.870 -0.036 0.000 1.036 981 L CA -0.661 54.150 54.840 -0.049 0.000 0.807 981 L CB 1.593 43.610 42.059 -0.069 0.000 1.231 981 L HN 0.616 nan 8.230 nan 0.000 0.438 982 Q N 0.495 120.292 119.800 -0.005 0.000 2.323 982 Q HA 0.294 4.620 4.340 -0.022 0.000 0.271 982 Q C 0.626 176.653 176.000 0.046 0.000 1.048 982 Q CA -0.502 55.311 55.803 0.016 0.000 0.792 982 Q CB 2.387 31.133 28.738 0.012 0.000 1.280 982 Q HN 0.867 nan 8.270 nan 0.000 0.441 983 G N 1.285 110.125 108.800 0.068 0.000 2.484 983 G HA2 -0.092 3.854 3.960 -0.022 0.000 0.218 983 G HA3 -0.092 3.854 3.960 -0.022 0.000 0.218 983 G C 0.476 175.453 174.900 0.129 0.000 1.130 983 G CA 1.154 46.314 45.100 0.100 0.000 0.784 983 G HN 0.573 nan 8.290 nan 0.000 0.543 984 T N -3.894 110.739 114.554 0.131 0.000 2.916 984 T HA 0.545 4.882 4.350 -0.022 0.000 0.305 984 T C -2.331 172.432 174.700 0.104 0.000 1.119 984 T CA -1.511 60.682 62.100 0.154 0.000 1.008 984 T CB 2.926 71.934 68.868 0.234 0.000 1.129 984 T HN -0.150 nan 8.240 nan 0.000 0.480 985 P HA 0.059 nan 4.420 nan 0.000 0.239 985 P C 0.895 178.207 177.300 0.020 0.000 1.184 985 P CA 0.172 63.308 63.100 0.059 0.000 0.760 985 P CB 0.262 32.008 31.700 0.077 0.000 0.884 986 V N -1.344 118.578 119.914 0.012 0.000 3.427 986 V HA 0.277 4.384 4.120 -0.022 0.000 0.305 986 V C 2.050 178.096 176.094 -0.081 0.000 1.412 986 V CA 0.735 62.980 62.300 -0.092 0.000 1.086 986 V CB -0.197 31.548 31.823 -0.131 0.000 0.964 986 V HN 0.004 nan 8.190 nan 0.000 0.439 987 A N -0.135 122.693 122.820 0.012 0.000 1.827 987 A HA -0.273 4.034 4.320 -0.022 0.000 0.215 987 A C 2.034 179.625 177.584 0.010 0.000 1.212 987 A CA 2.196 54.269 52.037 0.060 0.000 0.624 987 A CB -0.926 18.113 19.000 0.065 0.000 0.853 987 A HN 0.506 nan 8.150 nan 0.000 0.450 988 Q N -0.574 119.212 119.800 -0.023 0.000 2.028 988 Q HA -0.305 4.021 4.340 -0.022 0.000 0.213 988 Q C 2.219 178.164 176.000 -0.092 0.000 1.017 988 Q CA 2.760 58.537 55.803 -0.042 0.000 0.875 988 Q CB -0.395 28.309 28.738 -0.057 0.000 0.962 988 Q HN 0.700 nan 8.270 nan 0.000 0.413 989 M N 0.079 119.546 119.600 -0.222 0.000 2.110 989 M HA -0.226 4.241 4.480 -0.022 0.000 0.257 989 M C 2.476 178.596 176.300 -0.300 0.000 1.071 989 M CA 2.727 57.778 55.300 -0.416 0.000 1.096 989 M CB -0.776 31.202 32.600 -1.037 0.000 1.300 989 M HN 0.510 nan 8.290 nan 0.000 0.411 990 T N -2.130 112.294 114.554 -0.217 0.000 2.788 990 T HA -0.182 4.154 4.350 -0.022 0.000 0.268 990 T C 1.524 176.243 174.700 0.032 0.000 1.044 990 T CA 1.687 63.840 62.100 0.089 0.000 1.139 990 T CB -0.393 68.612 68.868 0.229 0.000 0.867 990 T HN 0.504 nan 8.240 nan 0.000 0.454 991 E N 1.850 122.070 120.200 0.034 0.000 2.007 991 E HA -0.186 4.151 4.350 -0.022 0.000 0.194 991 E C 1.601 178.207 176.600 0.011 0.000 0.999 991 E CA 1.501 57.926 56.400 0.041 0.000 0.811 991 E CB -0.144 29.633 29.700 0.128 0.000 0.762 991 E HN 0.753 nan 8.360 nan 0.000 0.450 992 D N -0.495 119.920 120.400 0.025 0.000 2.346 992 D HA -0.010 4.616 4.640 -0.022 0.000 0.248 992 D C 0.672 177.013 176.300 0.069 0.000 1.173 992 D CA 0.492 54.514 54.000 0.037 0.000 0.878 992 D CB 0.650 41.470 40.800 0.032 0.000 0.919 992 D HN 0.193 nan 8.370 nan 0.000 0.513 993 A N -0.167 122.701 122.820 0.081 0.000 2.303 993 A HA 0.291 4.598 4.320 -0.022 0.000 0.217 993 A C 1.976 179.634 177.584 0.123 0.000 1.205 993 A CA -0.192 51.939 52.037 0.157 0.000 0.875 993 A CB -0.039 19.130 19.000 0.283 0.000 0.910 993 A HN 0.265 nan 8.150 nan 0.000 0.501 994 I N -0.773 119.830 120.570 0.056 0.000 3.081 994 I HA 0.021 4.177 4.170 -0.022 0.000 0.274 994 I C 0.497 176.639 176.117 0.041 0.000 1.178 994 I CA 0.029 61.348 61.300 0.031 0.000 1.460 994 I CB 0.120 38.073 38.000 -0.079 0.000 1.137 994 I HN 0.153 nan 8.210 nan 0.000 0.443 995 D N 2.118 122.540 120.400 0.037 0.000 2.382 995 D HA -0.022 4.605 4.640 -0.022 0.000 0.259 995 D C 1.301 177.638 176.300 0.062 0.000 1.224 995 D CA 0.486 54.513 54.000 0.045 0.000 0.894 995 D CB 1.680 42.502 40.800 0.037 0.000 1.127 995 D HN 0.247 nan 8.370 nan 0.000 0.487 996 G N 4.211 113.048 108.800 0.061 0.000 2.503 996 G HA2 -0.279 3.668 3.960 -0.022 0.000 0.221 996 G HA3 -0.279 3.668 3.960 -0.022 0.000 0.221 996 G C 1.239 176.187 174.900 0.080 0.000 1.131 996 G CA 0.402 45.545 45.100 0.071 0.000 0.756 996 G HN 0.538 nan 8.290 nan 0.000 0.572 997 E N -0.466 119.770 120.200 0.059 0.000 2.400 997 E HA 0.083 4.420 4.350 -0.022 0.000 0.195 997 E C 2.651 179.275 176.600 0.039 0.000 1.012 997 E CA -0.108 56.325 56.400 0.055 0.000 0.875 997 E CB 0.117 29.825 29.700 0.013 0.000 0.859 997 E HN 0.170 nan 8.360 nan 0.000 0.498 998 R N 0.488 121.008 120.500 0.033 0.000 2.100 998 R HA 0.013 4.339 4.340 -0.022 0.000 0.220 998 R C 2.427 178.819 176.300 0.154 0.000 1.091 998 R CA 0.176 56.294 56.100 0.029 0.000 0.986 998 R CB -0.873 29.437 30.300 0.016 0.000 0.888 998 R HN 0.188 nan 8.270 nan 0.000 0.444 999 L N 1.726 123.042 121.223 0.153 0.000 2.021 999 L HA -0.198 4.129 4.340 -0.022 0.000 0.215 999 L C 1.935 178.942 176.870 0.229 0.000 1.074 999 L CA 2.002 56.954 54.840 0.186 0.000 0.760 999 L CB -0.330 41.829 42.059 0.168 0.000 0.889 999 L HN -0.019 nan 8.230 nan 0.000 0.433 1000 K N -1.669 118.884 120.400 0.255 0.000 2.589 1000 K HA -0.114 4.192 4.320 -0.022 0.000 0.192 1000 K C 0.325 177.007 176.600 0.136 0.000 1.029 1000 K CA 0.576 56.995 56.287 0.220 0.000 1.031 1000 K CB -0.116 32.504 32.500 0.199 0.000 0.821 1000 K HN 0.556 nan 8.250 nan 0.000 0.502 1001 H N -0.963 118.159 119.070 0.086 0.000 2.528 1001 H HA 0.162 4.704 4.556 -0.022 0.000 0.282 1001 H C 0.796 176.155 175.328 0.051 0.000 1.097 1001 H CA -0.135 55.949 56.048 0.059 0.000 1.121 1001 H CB 0.415 30.203 29.762 0.044 0.000 1.590 1001 H HN 0.065 nan 8.280 nan 0.000 0.553 1002 L N -0.265 121.045 121.223 0.146 0.000 2.071 1002 L HA 0.042 4.369 4.340 -0.022 0.000 0.201 1002 L C 0.443 177.341 176.870 0.047 0.000 1.076 1002 L CA 0.394 55.301 54.840 0.113 0.000 0.755 1002 L CB 0.026 42.191 42.059 0.177 0.000 0.915 1002 L HN 0.191 nan 8.230 nan 0.000 0.445 1003 I N 0.561 121.149 120.570 0.031 0.000 2.892 1003 I HA -0.168 3.989 4.170 -0.022 0.000 0.287 1003 I C 1.086 177.151 176.117 -0.086 0.000 1.205 1003 I CA 0.931 62.202 61.300 -0.048 0.000 1.409 1003 I CB 0.651 38.656 38.000 0.008 0.000 1.367 1003 I HN 0.385 nan 8.210 nan 0.000 0.597 1004 Q N 1.571 121.276 119.800 -0.158 0.000 2.316 1004 Q HA 0.059 4.386 4.340 -0.022 0.000 0.235 1004 Q C 0.148 176.019 176.000 -0.215 0.000 0.863 1004 Q CA 0.090 55.786 55.803 -0.178 0.000 0.939 1004 Q CB 0.635 29.254 28.738 -0.200 0.000 1.108 1004 Q HN 0.900 nan 8.270 nan 0.000 0.522 1005 T N -0.015 114.389 114.554 -0.251 0.000 2.928 1005 T HA 0.494 4.831 4.350 -0.022 0.000 0.284 1005 T C -2.488 172.235 174.700 0.038 0.000 1.008 1005 T CA -1.887 60.081 62.100 -0.218 0.000 1.057 1005 T CB 1.320 69.818 68.868 -0.617 0.000 1.018 1005 T HN -0.042 nan 8.240 nan 0.000 0.493 1006 P HA 0.168 nan 4.420 nan 0.000 0.271 1006 P C 0.096 177.607 177.300 0.352 0.000 1.216 1006 P CA -0.282 62.944 63.100 0.211 0.000 0.776 1006 P CB 0.853 32.647 31.700 0.156 0.000 0.881 1007 S N 1.223 117.097 115.700 0.290 0.000 2.495 1007 S HA 0.647 5.104 4.470 -0.022 0.000 0.273 1007 S C 0.925 175.704 174.600 0.298 0.000 1.156 1007 S CA 0.065 58.432 58.200 0.279 0.000 1.032 1007 S CB -0.256 63.085 63.200 0.234 0.000 1.160 1007 S HN 0.839 nan 8.310 nan 0.000 0.489 1008 G N -0.564 108.368 108.800 0.219 0.000 2.207 1008 G HA2 -0.047 3.899 3.960 -0.022 0.000 0.216 1008 G HA3 -0.047 3.899 3.960 -0.022 0.000 0.216 1008 G C 0.053 175.003 174.900 0.084 0.000 1.053 1008 G CA -0.117 45.118 45.100 0.226 0.000 0.764 1008 G HN 2.053 nan 8.290 nan 0.000 0.495 1009 C N -2.142 117.077 119.300 -0.135 0.000 3.090 1009 C HA 0.782 5.229 4.460 -0.022 0.000 0.347 1009 C C 2.024 176.363 174.990 -1.084 0.000 1.147 1009 C CA 0.218 58.851 59.018 -0.640 0.000 1.305 1009 C CB 1.320 28.631 27.740 -0.714 0.000 1.692 1009 C HN 1.881 nan 8.230 nan 0.000 0.506 1010 G N 1.523 109.310 108.800 -1.688 0.000 2.869 1010 G HA2 -0.372 3.574 3.960 -0.022 0.000 0.236 1010 G HA3 -0.372 3.574 3.960 -0.022 0.000 0.236 1010 G C 1.309 175.788 174.900 -0.703 0.000 1.134 1010 G CA 1.959 46.184 45.100 -1.458 0.000 0.748 1010 G HN 1.091 nan 8.290 nan 0.000 0.644 1011 E N 0.346 120.344 120.200 -0.337 0.000 2.057 1011 E HA -0.050 4.286 4.350 -0.022 0.000 0.190 1011 E C 2.794 179.463 176.600 0.116 0.000 0.969 1011 E CA 1.185 57.588 56.400 0.005 0.000 0.812 1011 E CB -0.251 29.583 29.700 0.223 0.000 0.777 1011 E HN 0.615 nan 8.360 nan 0.000 0.455 1012 Q N 0.825 120.642 119.800 0.028 0.000 2.135 1012 Q HA -0.167 4.160 4.340 -0.022 0.000 0.204 1012 Q C 1.893 178.018 176.000 0.208 0.000 0.981 1012 Q CA 1.765 57.666 55.803 0.163 0.000 0.856 1012 Q CB -0.496 28.263 28.738 0.035 0.000 0.902 1012 Q HN 0.178 nan 8.270 nan 0.000 0.425 1013 N N -0.077 118.659 118.700 0.060 0.000 2.430 1013 N HA -0.118 4.609 4.740 -0.022 0.000 0.186 1013 N C 0.998 176.602 175.510 0.157 0.000 1.032 1013 N CA 0.725 53.855 53.050 0.133 0.000 0.893 1013 N CB 0.032 38.615 38.487 0.159 0.000 0.957 1013 N HN 0.142 nan 8.380 nan 0.000 0.442 1014 M N 0.296 119.977 119.600 0.135 0.000 2.700 1014 M HA -0.033 4.434 4.480 -0.022 0.000 0.249 1014 M C 1.691 178.004 176.300 0.023 0.000 1.082 1014 M CA 0.431 55.760 55.300 0.049 0.000 1.077 1014 M CB -0.936 31.666 32.600 0.002 0.000 1.477 1014 M HN 0.381 nan 8.290 nan 0.000 0.529 1015 I N -0.098 120.627 120.570 0.259 0.000 2.454 1015 I HA -0.182 3.975 4.170 -0.022 0.000 0.254 1015 I C 2.015 178.237 176.117 0.175 0.000 1.156 1015 I CA 1.219 62.739 61.300 0.366 0.000 1.433 1015 I CB -0.264 38.011 38.000 0.459 0.000 1.082 1015 I HN 0.288 nan 8.210 nan 0.000 0.432 1016 G N 0.958 109.847 108.800 0.147 0.000 2.440 1016 G HA2 -0.265 3.682 3.960 -0.022 0.000 0.218 1016 G HA3 -0.265 3.682 3.960 -0.022 0.000 0.218 1016 G C 1.479 176.431 174.900 0.087 0.000 1.154 1016 G CA 1.157 46.335 45.100 0.130 0.000 0.767 1016 G HN 0.392 nan 8.290 nan 0.000 0.552 1017 M N -0.554 119.063 119.600 0.028 0.000 2.749 1017 M HA 0.084 4.551 4.480 -0.022 0.000 0.240 1017 M C 2.801 179.040 176.300 -0.101 0.000 1.285 1017 M CA 1.236 56.532 55.300 -0.007 0.000 1.267 1017 M CB -0.625 31.987 32.600 0.019 0.000 1.184 1017 M HN 0.123 nan 8.290 nan 0.000 0.526 1018 T N 1.700 116.089 114.554 -0.276 0.000 2.578 1018 T HA -0.204 4.133 4.350 -0.022 0.000 0.252 1018 T C -0.850 173.696 174.700 -0.257 0.000 1.192 1018 T CA 2.150 64.008 62.100 -0.403 0.000 1.143 1018 T CB -2.471 65.847 68.868 -0.916 0.000 0.848 1018 T HN 0.331 nan 8.240 nan 0.000 0.450 1019 P HA 0.024 nan 4.420 nan 0.000 0.225 1019 P C 1.210 178.590 177.300 0.134 0.000 1.156 1019 P CA 1.094 64.271 63.100 0.127 0.000 0.787 1019 P CB -0.217 31.764 31.700 0.468 0.000 0.802 1020 T N -0.102 114.509 114.554 0.094 0.000 2.894 1020 T HA -0.009 4.328 4.350 -0.022 0.000 0.258 1020 T C 2.004 176.757 174.700 0.089 0.000 1.043 1020 T CA 0.737 62.908 62.100 0.117 0.000 1.141 1020 T CB -0.881 68.050 68.868 0.105 0.000 0.873 1020 T HN -0.141 nan 8.240 nan 0.000 0.449 1021 V N 3.188 123.130 119.914 0.047 0.000 2.380 1021 V HA -0.179 3.927 4.120 -0.022 0.000 0.251 1021 V C 2.439 178.628 176.094 0.158 0.000 1.063 1021 V CA 1.769 64.125 62.300 0.093 0.000 1.055 1021 V CB -0.915 30.932 31.823 0.041 0.000 0.657 1021 V HN 0.640 nan 8.190 nan 0.000 0.455 1022 I N -1.355 119.202 120.570 -0.022 0.000 2.852 1022 I HA 0.122 4.279 4.170 -0.022 0.000 0.264 1022 I C 2.354 178.461 176.117 -0.016 0.000 1.179 1022 I CA 1.286 62.522 61.300 -0.108 0.000 1.480 1022 I CB -0.578 37.143 38.000 -0.465 0.000 1.111 1022 I HN 0.122 nan 8.210 nan 0.000 0.441 1023 A N 1.830 124.687 122.820 0.060 0.000 1.873 1023 A HA -0.057 4.250 4.320 -0.022 0.000 0.215 1023 A C 2.405 180.109 177.584 0.201 0.000 1.186 1023 A CA 1.987 54.164 52.037 0.234 0.000 0.616 1023 A CB -0.993 18.160 19.000 0.256 0.000 0.823 1023 A HN 0.315 nan 8.150 nan 0.000 0.442 1024 V N -0.462 119.583 119.914 0.219 0.000 2.223 1024 V HA -0.299 3.808 4.120 -0.022 0.000 0.244 1024 V C 2.328 178.587 176.094 0.275 0.000 1.045 1024 V CA 2.490 65.003 62.300 0.355 0.000 1.000 1024 V CB -1.206 30.791 31.823 0.290 0.000 0.635 1024 V HN 0.738 nan 8.190 nan 0.000 0.445 1025 H N -1.809 117.376 119.070 0.193 0.000 2.431 1025 H HA -0.263 4.279 4.556 -0.022 0.000 0.297 1025 H C 1.969 177.407 175.328 0.184 0.000 1.115 1025 H CA 2.621 58.764 56.048 0.159 0.000 1.277 1025 H CB -0.240 29.577 29.762 0.091 0.000 1.372 1025 H HN 0.594 nan 8.280 nan 0.000 0.516 1026 Y N 0.789 121.175 120.300 0.142 0.000 2.114 1026 Y HA -0.169 4.368 4.550 -0.022 0.000 0.284 1026 Y C 2.121 178.025 175.900 0.008 0.000 1.119 1026 Y CA 1.415 59.562 58.100 0.078 0.000 1.108 1026 Y CB -0.732 37.775 38.460 0.077 0.000 0.995 1026 Y HN 0.074 nan 8.280 nan 0.000 0.491 1027 L N 0.199 121.205 121.223 -0.361 0.000 2.081 1027 L HA -0.255 4.071 4.340 -0.022 0.000 0.212 1027 L C 2.191 178.901 176.870 -0.267 0.000 1.080 1027 L CA 1.608 56.031 54.840 -0.695 0.000 0.754 1027 L CB -0.740 40.477 42.059 -1.404 0.000 0.893 1027 L HN 0.251 nan 8.230 nan 0.000 0.433 1028 D N -0.456 120.006 120.400 0.103 0.000 2.108 1028 D HA -0.229 4.398 4.640 -0.022 0.000 0.190 1028 D C 2.349 178.729 176.300 0.133 0.000 0.995 1028 D CA 1.817 56.015 54.000 0.330 0.000 0.834 1028 D CB -0.165 40.803 40.800 0.281 0.000 0.967 1028 D HN 0.094 nan 8.370 nan 0.000 0.446 1029 S N -1.185 114.569 115.700 0.090 0.000 2.500 1029 S HA -0.104 4.353 4.470 -0.022 0.000 0.239 1029 S C 1.375 175.976 174.600 0.001 0.000 0.989 1029 S CA 1.783 60.024 58.200 0.068 0.000 0.951 1029 S CB -0.254 63.020 63.200 0.122 0.000 0.759 1029 S HN 0.428 nan 8.310 nan 0.000 0.523 1030 T N -2.736 111.751 114.554 -0.111 0.000 3.145 1030 T HA 0.265 4.601 4.350 -0.022 0.000 0.281 1030 T C 0.058 174.727 174.700 -0.051 0.000 1.003 1030 T CA 0.271 62.289 62.100 -0.138 0.000 0.901 1030 T CB -0.407 68.225 68.868 -0.394 0.000 1.112 1030 T HN 0.246 nan 8.240 nan 0.000 0.535 1031 D N 1.836 122.245 120.400 0.015 0.000 2.890 1031 D HA -0.175 4.452 4.640 -0.022 0.000 0.226 1031 D C 0.529 176.884 176.300 0.091 0.000 1.207 1031 D CA 0.735 54.794 54.000 0.098 0.000 0.764 1031 D CB -0.748 40.118 40.800 0.109 0.000 0.948 1031 D HN 0.646 nan 8.370 nan 0.000 0.404 1032 Q N -0.071 119.738 119.800 0.015 0.000 2.139 1032 Q HA 0.058 4.384 4.340 -0.022 0.000 0.219 1032 Q C 1.002 176.999 176.000 -0.005 0.000 0.805 1032 Q CA -0.555 55.220 55.803 -0.047 0.000 1.024 1032 Q CB 0.410 29.060 28.738 -0.146 0.000 1.163 1032 Q HN 0.562 nan 8.270 nan 0.000 0.485 1033 W N 2.594 123.958 121.300 0.106 0.000 2.611 1033 W HA -0.117 4.530 4.660 -0.022 0.000 0.251 1033 W C 1.484 178.061 176.519 0.097 0.000 1.265 1033 W CA 1.568 59.035 57.345 0.204 0.000 1.295 1033 W CB 0.244 29.784 29.460 0.134 0.000 1.129 1033 W HN 0.424 nan 8.180 nan 0.000 0.630 1034 E N 0.398 120.705 120.200 0.177 0.000 2.097 1034 E HA -0.279 4.057 4.350 -0.022 0.000 0.196 1034 E C 2.003 178.571 176.600 -0.052 0.000 1.000 1034 E CA 1.183 57.612 56.400 0.049 0.000 0.804 1034 E CB -0.793 28.888 29.700 -0.031 0.000 0.740 1034 E HN -0.038 nan 8.360 nan 0.000 0.454 1035 K N 0.919 121.184 120.400 -0.225 0.000 2.209 1035 K HA -0.057 4.250 4.320 -0.022 0.000 0.204 1035 K C -0.187 176.139 176.600 -0.455 0.000 1.048 1035 K CA 0.635 56.649 56.287 -0.456 0.000 0.940 1035 K CB -0.089 31.950 32.500 -0.768 0.000 0.729 1035 K HN 0.111 nan 8.250 nan 0.000 0.451 1036 F N 0.628 120.610 119.950 0.053 0.000 2.425 1036 F HA 0.372 4.885 4.527 -0.022 0.000 0.331 1036 F C 1.261 177.147 175.800 0.143 0.000 1.085 1036 F CA -0.754 57.313 58.000 0.112 0.000 1.028 1036 F CB 0.877 39.987 39.000 0.183 0.000 1.177 1036 F HN -0.039 nan 8.300 nan 0.000 0.487 1037 G N 2.279 111.258 108.800 0.300 0.000 2.469 1037 G HA2 -0.062 3.885 3.960 -0.022 0.000 0.229 1037 G HA3 -0.062 3.885 3.960 -0.022 0.000 0.229 1037 G C 0.946 175.950 174.900 0.174 0.000 1.222 1037 G CA -0.436 44.774 45.100 0.183 0.000 0.861 1037 G HN 0.858 nan 8.290 nan 0.000 0.538 1038 L N 0.952 122.235 121.223 0.101 0.000 2.270 1038 L HA -0.162 4.165 4.340 -0.022 0.000 0.217 1038 L C 2.333 179.214 176.870 0.018 0.000 1.107 1038 L CA 1.757 56.631 54.840 0.056 0.000 0.772 1038 L CB -0.435 41.642 42.059 0.030 0.000 0.902 1038 L HN 0.635 nan 8.230 nan 0.000 0.439 1039 E N -1.344 118.879 120.200 0.038 0.000 2.389 1039 E HA -0.018 4.319 4.350 -0.022 0.000 0.199 1039 E C 1.731 178.340 176.600 0.014 0.000 0.978 1039 E CA -0.095 56.309 56.400 0.007 0.000 0.912 1039 E CB -0.218 29.495 29.700 0.021 0.000 0.907 1039 E HN 0.067 nan 8.360 nan 0.000 0.494 1040 K N 0.980 121.438 120.400 0.097 0.000 2.242 1040 K HA -0.218 4.088 4.320 -0.022 0.000 0.206 1040 K C 1.966 178.638 176.600 0.120 0.000 1.045 1040 K CA 1.343 57.719 56.287 0.149 0.000 0.930 1040 K CB -0.048 32.623 32.500 0.285 0.000 0.726 1040 K HN 0.166 nan 8.250 nan 0.000 0.462 1041 R N 0.256 120.691 120.500 -0.109 0.000 2.057 1041 R HA -0.043 4.284 4.340 -0.022 0.000 0.224 1041 R C 2.223 178.392 176.300 -0.218 0.000 1.136 1041 R CA 0.698 56.572 56.100 -0.378 0.000 0.968 1041 R CB 0.011 29.599 30.300 -1.186 0.000 0.863 1041 R HN 0.023 nan 8.270 nan 0.000 0.433 1042 Q N 0.841 120.527 119.800 -0.190 0.000 2.170 1042 Q HA -0.171 4.155 4.340 -0.022 0.000 0.203 1042 Q C 1.721 177.693 176.000 -0.046 0.000 0.976 1042 Q CA 1.546 57.281 55.803 -0.114 0.000 0.858 1042 Q CB 0.070 28.753 28.738 -0.091 0.000 0.907 1042 Q HN 0.497 nan 8.270 nan 0.000 0.433 1043 E N -0.048 120.141 120.200 -0.019 0.000 2.077 1043 E HA -0.135 4.201 4.350 -0.022 0.000 0.193 1043 E C 1.981 178.599 176.600 0.031 0.000 0.989 1043 E CA 1.491 57.902 56.400 0.018 0.000 0.800 1043 E CB 0.033 29.754 29.700 0.036 0.000 0.746 1043 E HN 0.370 nan 8.360 nan 0.000 0.452 1044 S N 0.859 116.582 115.700 0.038 0.000 2.414 1044 S HA -0.015 4.442 4.470 -0.022 0.000 0.227 1044 S C 2.055 176.680 174.600 0.042 0.000 1.022 1044 S CA 0.176 58.413 58.200 0.062 0.000 0.958 1044 S CB -0.131 63.137 63.200 0.113 0.000 0.797 1044 S HN 0.089 nan 8.310 nan 0.000 0.493 1045 L N 1.736 122.959 121.223 0.000 0.000 2.079 1045 L HA -0.059 4.268 4.340 -0.022 0.000 0.210 1045 L C 2.809 179.684 176.870 0.009 0.000 1.081 1045 L CA 1.738 56.566 54.840 -0.020 0.000 0.752 1045 L CB -1.197 40.824 42.059 -0.063 0.000 0.896 1045 L HN 0.401 nan 8.230 nan 0.000 0.433 1046 E N -0.204 120.010 120.200 0.024 0.000 2.072 1046 E HA -0.182 4.155 4.350 -0.022 0.000 0.191 1046 E C 2.383 179.026 176.600 0.071 0.000 0.985 1046 E CA 0.658 57.089 56.400 0.052 0.000 0.801 1046 E CB -0.225 29.507 29.700 0.054 0.000 0.750 1046 E HN 0.425 nan 8.360 nan 0.000 0.452 1047 L N 0.645 121.908 121.223 0.067 0.000 2.043 1047 L HA -0.212 4.115 4.340 -0.022 0.000 0.212 1047 L C 2.435 179.360 176.870 0.091 0.000 1.075 1047 L CA 1.074 55.963 54.840 0.082 0.000 0.752 1047 L CB -0.254 41.854 42.059 0.082 0.000 0.891 1047 L HN 0.127 nan 8.230 nan 0.000 0.432 1048 I N -1.105 119.510 120.570 0.075 0.000 2.353 1048 I HA -0.256 3.901 4.170 -0.022 0.000 0.248 1048 I C 2.583 178.757 176.117 0.094 0.000 1.119 1048 I CA 0.912 62.254 61.300 0.071 0.000 1.417 1048 I CB -0.306 37.712 38.000 0.030 0.000 1.078 1048 I HN 0.198 nan 8.210 nan 0.000 0.421 1049 R N 0.972 121.524 120.500 0.087 0.000 2.081 1049 R HA -0.191 4.136 4.340 -0.022 0.000 0.235 1049 R C 2.347 178.778 176.300 0.217 0.000 1.131 1049 R CA 1.373 57.553 56.100 0.133 0.000 0.960 1049 R CB -0.344 30.023 30.300 0.113 0.000 0.856 1049 R HN 0.302 nan 8.270 nan 0.000 0.436 1050 K N 0.454 120.961 120.400 0.178 0.000 2.026 1050 K HA -0.112 4.195 4.320 -0.022 0.000 0.208 1050 K C 2.145 178.855 176.600 0.184 0.000 1.048 1050 K CA 1.655 58.050 56.287 0.180 0.000 0.929 1050 K CB -0.323 32.251 32.500 0.125 0.000 0.713 1050 K HN 0.250 nan 8.250 nan 0.000 0.439 1051 G N 0.317 109.222 108.800 0.175 0.000 2.442 1051 G HA2 -0.316 3.630 3.960 -0.022 0.000 0.219 1051 G HA3 -0.316 3.630 3.960 -0.022 0.000 0.219 1051 G C 1.382 176.427 174.900 0.243 0.000 1.141 1051 G CA 1.021 46.231 45.100 0.184 0.000 0.763 1051 G HN 0.440 nan 8.290 nan 0.000 0.554 1052 Y N 2.227 122.583 120.300 0.093 0.000 2.097 1052 Y HA -0.175 4.362 4.550 -0.022 0.000 0.282 1052 Y C 3.070 179.043 175.900 0.121 0.000 1.152 1052 Y CA 2.054 60.190 58.100 0.060 0.000 1.136 1052 Y CB -0.772 37.639 38.460 -0.081 0.000 0.975 1052 Y HN 0.213 nan 8.280 nan 0.000 0.498 1053 T N 0.950 115.556 114.554 0.086 0.000 2.607 1053 T HA -0.302 4.035 4.350 -0.022 0.000 0.267 1053 T C 1.807 176.556 174.700 0.082 0.000 1.049 1053 T CA 2.151 64.291 62.100 0.066 0.000 1.162 1053 T CB -0.465 68.569 68.868 0.277 0.000 0.863 1053 T HN 0.477 nan 8.240 nan 0.000 0.424 1054 Q N 0.325 120.205 119.800 0.134 0.000 2.077 1054 Q HA -0.223 4.104 4.340 -0.022 0.000 0.206 1054 Q C 2.558 178.661 176.000 0.171 0.000 0.989 1054 Q CA 1.571 57.453 55.803 0.132 0.000 0.853 1054 Q CB -0.281 28.552 28.738 0.158 0.000 0.907 1054 Q HN 0.375 nan 8.270 nan 0.000 0.418 1055 Q N 0.569 120.512 119.800 0.237 0.000 2.135 1055 Q HA -0.142 4.184 4.340 -0.022 0.000 0.204 1055 Q C 1.814 178.030 176.000 0.360 0.000 0.981 1055 Q CA 1.098 57.122 55.803 0.367 0.000 0.856 1055 Q CB -0.195 28.769 28.738 0.377 0.000 0.902 1055 Q HN 0.257 nan 8.270 nan 0.000 0.425 1056 L N -0.075 121.222 121.223 0.123 0.000 2.187 1056 L HA -0.094 4.233 4.340 -0.022 0.000 0.213 1056 L C 2.113 178.949 176.870 -0.056 0.000 1.100 1056 L CA 1.703 56.550 54.840 0.011 0.000 0.765 1056 L CB -1.864 40.067 42.059 -0.214 0.000 0.904 1056 L HN 0.331 nan 8.230 nan 0.000 0.437 1057 A N -0.848 121.919 122.820 -0.088 0.000 1.978 1057 A HA -0.211 4.096 4.320 -0.022 0.000 0.220 1057 A C 1.941 179.270 177.584 -0.424 0.000 1.170 1057 A CA 1.491 53.349 52.037 -0.297 0.000 0.636 1057 A CB -0.730 18.002 19.000 -0.446 0.000 0.810 1057 A HN 0.389 nan 8.150 nan 0.000 0.448 1058 F N -0.749 119.157 119.950 -0.074 0.000 2.789 1058 F HA 0.176 4.690 4.527 -0.022 0.000 0.300 1058 F C 1.255 176.862 175.800 -0.322 0.000 1.132 1058 F CA 0.081 58.012 58.000 -0.115 0.000 1.404 1058 F CB 0.094 39.099 39.000 0.008 0.000 1.114 1058 F HN 0.050 nan 8.300 nan 0.000 0.584 1059 R N 2.463 122.750 120.500 -0.354 0.000 2.357 1059 R HA 0.054 4.381 4.340 -0.022 0.000 0.330 1059 R C 0.192 176.157 176.300 -0.558 0.000 1.102 1059 R CA -0.061 55.489 56.100 -0.917 0.000 0.974 1059 R CB 0.066 29.949 30.300 -0.695 0.000 1.002 1059 R HN 0.335 nan 8.270 nan 0.000 0.463 1060 Q N 2.753 122.238 119.800 -0.525 0.000 2.631 1060 Q HA -0.046 4.280 4.340 -0.022 0.000 0.210 1060 Q C 1.217 177.023 176.000 -0.322 0.000 1.094 1060 Q CA -0.020 55.575 55.803 -0.347 0.000 1.055 1060 Q CB 0.656 29.225 28.738 -0.281 0.000 1.261 1060 Q HN 0.606 nan 8.270 nan 0.000 0.615 1061 K N -0.296 119.969 120.400 -0.224 0.000 2.074 1061 K HA -0.161 4.145 4.320 -0.022 0.000 0.209 1061 K C 1.470 177.963 176.600 -0.179 0.000 1.048 1061 K CA 2.146 58.328 56.287 -0.176 0.000 0.926 1061 K CB -0.477 31.956 32.500 -0.112 0.000 0.713 1061 K HN 0.526 nan 8.250 nan 0.000 0.444 1062 S N 0.311 115.885 115.700 -0.210 0.000 2.786 1062 S HA 0.133 4.590 4.470 -0.022 0.000 0.223 1062 S C 0.366 174.777 174.600 -0.316 0.000 0.956 1062 S CA 0.199 58.274 58.200 -0.208 0.000 0.961 1062 S CB -0.116 62.971 63.200 -0.188 0.000 0.784 1062 S HN 0.339 nan 8.310 nan 0.000 0.519 1063 S N -0.559 114.953 115.700 -0.314 0.000 3.261 1063 S HA -0.179 4.278 4.470 -0.022 0.000 0.287 1063 S C 0.643 174.993 174.600 -0.417 0.000 1.281 1063 S CA 0.656 58.690 58.200 -0.277 0.000 1.053 1063 S CB -2.022 61.124 63.200 -0.091 0.000 1.251 1063 S HN 1.215 nan 8.310 nan 0.000 0.659 1064 A N -0.455 121.936 122.820 -0.714 0.000 2.240 1064 A HA 0.779 5.086 4.320 -0.022 0.000 0.292 1064 A C -0.507 176.687 177.584 -0.650 0.000 1.121 1064 A CA -0.106 51.378 52.037 -0.921 0.000 0.851 1064 A CB 0.473 18.640 19.000 -1.388 0.000 1.167 1064 A HN 0.406 nan 8.150 nan 0.000 0.503 1065 Y N -1.679 118.387 120.300 -0.390 0.000 2.457 1065 Y HA 0.575 5.112 4.550 -0.022 0.000 0.343 1065 Y C 0.317 176.152 175.900 -0.108 0.000 0.994 1065 Y CA -0.087 57.900 58.100 -0.189 0.000 1.031 1065 Y CB 2.134 40.489 38.460 -0.175 0.000 1.246 1065 Y HN 0.891 nan 8.280 nan 0.000 0.449 1066 A N 1.076 123.940 122.820 0.073 0.000 2.356 1066 A HA 0.785 5.092 4.320 -0.022 0.000 0.323 1066 A C 0.663 178.278 177.584 0.053 0.000 1.119 1066 A CA -0.117 51.970 52.037 0.084 0.000 0.790 1066 A CB 1.130 20.177 19.000 0.078 0.000 1.273 1066 A HN 0.981 nan 8.150 nan 0.000 0.452 1067 A N 0.702 123.514 122.820 -0.013 0.000 2.015 1067 A HA 0.378 4.685 4.320 -0.022 0.000 0.219 1067 A C 0.331 177.535 177.584 -0.633 0.000 1.163 1067 A CA 1.275 53.108 52.037 -0.341 0.000 0.646 1067 A CB -0.360 18.494 19.000 -0.243 0.000 0.806 1067 A HN 0.703 nan 8.150 nan 0.000 0.448 1068 F N -3.601 116.426 119.950 0.128 0.000 2.675 1068 F HA 0.358 4.872 4.527 -0.022 0.000 0.324 1068 F C 1.193 177.033 175.800 0.067 0.000 1.106 1068 F CA -0.604 57.481 58.000 0.143 0.000 0.970 1068 F CB 0.780 39.811 39.000 0.051 0.000 1.385 1068 F HN 0.013 nan 8.300 nan 0.000 0.489 1069 Q N 0.030 119.946 119.800 0.194 0.000 2.012 1069 Q HA -0.216 4.111 4.340 -0.022 0.000 0.211 1069 Q C -0.534 175.224 176.000 -0.404 0.000 1.009 1069 Q CA 2.105 57.790 55.803 -0.196 0.000 0.866 1069 Q CB -0.145 28.468 28.738 -0.209 0.000 0.945 1069 Q HN 0.616 nan 8.270 nan 0.000 0.414 1070 Y N 0.181 120.538 120.300 0.096 0.000 2.863 1070 Y HA 0.460 4.997 4.550 -0.022 0.000 0.348 1070 Y C -0.398 175.552 175.900 0.084 0.000 1.028 1070 Y CA -0.682 57.456 58.100 0.064 0.000 1.213 1070 Y CB 0.908 39.388 38.460 0.033 0.000 1.120 1070 Y HN 0.004 nan 8.280 nan 0.000 0.598 1071 R N 1.121 121.742 120.500 0.202 0.000 2.734 1071 R HA 0.466 4.793 4.340 -0.022 0.000 0.271 1071 R C -3.068 173.318 176.300 0.144 0.000 1.021 1071 R CA -2.150 54.059 56.100 0.182 0.000 0.893 1071 R CB 1.975 32.414 30.300 0.231 0.000 1.244 1071 R HN 0.186 nan 8.270 nan 0.000 0.464 1072 P HA 0.193 nan 4.420 nan 0.000 0.274 1072 P C -2.510 174.872 177.300 0.137 0.000 1.231 1072 P CA -1.300 61.877 63.100 0.129 0.000 0.790 1072 P CB 0.044 31.822 31.700 0.129 0.000 0.951 1073 P HA 0.013 nan 4.420 nan 0.000 0.267 1073 P C -0.287 177.153 177.300 0.233 0.000 1.200 1073 P CA 0.393 63.561 63.100 0.114 0.000 0.772 1073 P CB 0.366 32.081 31.700 0.024 0.000 0.855 1074 S N 1.171 117.003 115.700 0.220 0.000 2.438 1074 S HA 0.202 4.659 4.470 -0.022 0.000 0.316 1074 S C 1.180 175.986 174.600 0.343 0.000 1.084 1074 S CA -0.392 57.971 58.200 0.271 0.000 1.107 1074 S CB -0.106 63.244 63.200 0.250 0.000 0.981 1074 S HN 0.353 nan 8.310 nan 0.000 0.466 1075 T N 4.423 119.202 114.554 0.376 0.000 2.833 1075 T HA -0.117 4.220 4.350 -0.022 0.000 0.269 1075 T C 1.197 176.102 174.700 0.342 0.000 1.054 1075 T CA 1.367 63.695 62.100 0.380 0.000 1.135 1075 T CB -0.269 68.764 68.868 0.276 0.000 0.869 1075 T HN 0.857 nan 8.240 nan 0.000 0.466 1076 W N 1.756 123.151 121.300 0.158 0.000 2.381 1076 W HA 0.010 4.657 4.660 -0.022 0.000 0.321 1076 W C 2.012 178.687 176.519 0.259 0.000 1.196 1076 W CA 0.519 57.959 57.345 0.158 0.000 1.304 1076 W CB -0.952 28.484 29.460 -0.040 0.000 1.166 1076 W HN 0.141 nan 8.180 nan 0.000 0.473 1077 L N 0.897 122.217 121.223 0.161 0.000 2.013 1077 L HA -0.218 4.108 4.340 -0.022 0.000 0.212 1077 L C 2.214 179.000 176.870 -0.140 0.000 1.073 1077 L CA 3.036 57.821 54.840 -0.090 0.000 0.753 1077 L CB -1.467 40.630 42.059 0.064 0.000 0.890 1077 L HN 0.036 nan 8.230 nan 0.000 0.432 1078 T N 0.094 114.642 114.554 -0.011 0.000 2.684 1078 T HA -0.209 4.127 4.350 -0.022 0.000 0.267 1078 T C 1.919 176.510 174.700 -0.182 0.000 1.036 1078 T CA 1.600 63.659 62.100 -0.068 0.000 1.148 1078 T CB -0.675 68.303 68.868 0.183 0.000 0.863 1078 T HN 0.583 nan 8.240 nan 0.000 0.436 1079 A N 0.689 123.454 122.820 -0.091 0.000 1.902 1079 A HA -0.116 4.191 4.320 -0.022 0.000 0.217 1079 A C 2.117 179.481 177.584 -0.366 0.000 1.181 1079 A CA 1.635 53.540 52.037 -0.219 0.000 0.623 1079 A CB -1.059 17.825 19.000 -0.193 0.000 0.818 1079 A HN 0.548 nan 8.150 nan 0.000 0.443 1080 Y N 1.074 121.083 120.300 -0.485 0.000 2.128 1080 Y HA -0.202 4.335 4.550 -0.022 0.000 0.284 1080 Y C 2.369 177.949 175.900 -0.534 0.000 1.154 1080 Y CA 1.692 59.474 58.100 -0.529 0.000 1.149 1080 Y CB -0.748 37.433 38.460 -0.465 0.000 0.976 1080 Y HN 0.064 nan 8.280 nan 0.000 0.505 1081 V N -0.742 118.695 119.914 -0.794 0.000 2.469 1081 V HA -0.315 3.792 4.120 -0.022 0.000 0.251 1081 V C 2.465 177.915 176.094 -1.073 0.000 1.064 1081 V CA 1.672 63.253 62.300 -1.199 0.000 1.066 1081 V CB -1.051 29.803 31.823 -1.614 0.000 0.667 1081 V HN 0.336 nan 8.190 nan 0.000 0.461 1082 V N 0.013 119.532 119.914 -0.659 0.000 2.358 1082 V HA -0.265 3.842 4.120 -0.022 0.000 0.246 1082 V C 2.422 178.342 176.094 -0.290 0.000 1.047 1082 V CA 2.306 64.384 62.300 -0.369 0.000 1.035 1082 V CB -0.666 31.017 31.823 -0.233 0.000 0.658 1082 V HN 0.587 nan 8.190 nan 0.000 0.452 1083 K N 0.343 120.528 120.400 -0.359 0.000 2.026 1083 K HA -0.143 4.164 4.320 -0.022 0.000 0.208 1083 K C 1.930 178.387 176.600 -0.238 0.000 1.048 1083 K CA 1.856 57.982 56.287 -0.268 0.000 0.929 1083 K CB -0.127 32.216 32.500 -0.262 0.000 0.713 1083 K HN 0.376 nan 8.250 nan 0.000 0.439 1084 V N 1.187 120.870 119.914 -0.385 0.000 3.041 1084 V HA -0.126 3.981 4.120 -0.022 0.000 0.260 1084 V C 2.042 178.124 176.094 -0.020 0.000 1.105 1084 V CA 0.878 63.014 62.300 -0.273 0.000 1.125 1084 V CB -0.598 30.940 31.823 -0.474 0.000 0.730 1084 V HN 0.200 nan 8.190 nan 0.000 0.479 1085 F N 1.417 121.220 119.950 -0.246 0.000 2.098 1085 F HA 0.050 4.564 4.527 -0.022 0.000 0.294 1085 F C 2.531 178.241 175.800 -0.151 0.000 1.107 1085 F CA 0.813 58.712 58.000 -0.169 0.000 1.234 1085 F CB -1.384 37.542 39.000 -0.124 0.000 1.002 1085 F HN 0.148 nan 8.300 nan 0.000 0.472 1086 A N 0.294 123.159 122.820 0.074 0.000 1.917 1086 A HA -0.186 4.121 4.320 -0.022 0.000 0.219 1086 A C 2.390 179.961 177.584 -0.022 0.000 1.182 1086 A CA 1.634 53.669 52.037 -0.005 0.000 0.633 1086 A CB -1.167 17.809 19.000 -0.040 0.000 0.819 1086 A HN 0.381 nan 8.150 nan 0.000 0.448 1087 L N -1.108 120.094 121.223 -0.035 0.000 2.017 1087 L HA -0.180 4.146 4.340 -0.022 0.000 0.208 1087 L C 3.032 179.956 176.870 0.091 0.000 1.073 1087 L CA 1.211 56.025 54.840 -0.043 0.000 0.745 1087 L CB -0.459 41.538 42.059 -0.104 0.000 0.894 1087 L HN 0.437 nan 8.230 nan 0.000 0.432 1088 A N -0.407 122.442 122.820 0.048 0.000 2.067 1088 A HA 0.026 4.333 4.320 -0.022 0.000 0.217 1088 A C 2.434 179.984 177.584 -0.057 0.000 1.156 1088 A CA 1.046 53.100 52.037 0.028 0.000 0.683 1088 A CB -0.509 18.469 19.000 -0.035 0.000 0.808 1088 A HN 0.380 nan 8.150 nan 0.000 0.455 1089 A N 0.327 123.097 122.820 -0.083 0.000 2.084 1089 A HA -0.230 4.077 4.320 -0.022 0.000 0.221 1089 A C 1.772 179.306 177.584 -0.084 0.000 1.161 1089 A CA 1.584 53.542 52.037 -0.131 0.000 0.653 1089 A CB -0.842 18.096 19.000 -0.102 0.000 0.802 1089 A HN 0.726 nan 8.150 nan 0.000 0.457 1090 N N -0.904 117.787 118.700 -0.014 0.000 2.398 1090 N HA 0.164 4.891 4.740 -0.022 0.000 0.188 1090 N C 0.896 176.366 175.510 -0.066 0.000 1.122 1090 N CA 0.348 53.401 53.050 0.005 0.000 0.866 1090 N CB 0.034 38.613 38.487 0.152 0.000 0.970 1090 N HN 0.529 nan 8.380 nan 0.000 0.462 1091 L N -0.927 120.238 121.223 -0.098 0.000 2.966 1091 L HA 0.371 4.698 4.340 -0.022 0.000 0.262 1091 L C -0.190 176.602 176.870 -0.129 0.000 1.068 1091 L CA -0.070 54.691 54.840 -0.131 0.000 1.004 1091 L CB 0.326 42.294 42.059 -0.151 0.000 1.629 1091 L HN -0.036 nan 8.230 nan 0.000 0.542 1092 I N 0.858 121.338 120.570 -0.151 0.000 2.797 1092 I HA 0.452 4.609 4.170 -0.022 0.000 0.307 1092 I C 0.333 176.309 176.117 -0.235 0.000 1.033 1092 I CA -0.793 60.394 61.300 -0.188 0.000 1.071 1092 I CB 1.813 39.674 38.000 -0.231 0.000 1.255 1092 I HN -0.088 nan 8.210 nan 0.000 0.445 1093 A N 5.715 128.398 122.820 -0.229 0.000 2.671 1093 A HA 0.448 4.755 4.320 -0.022 0.000 0.306 1093 A C -0.248 177.123 177.584 -0.355 0.000 1.473 1093 A CA -0.200 51.703 52.037 -0.224 0.000 1.155 1093 A CB -0.772 18.139 19.000 -0.148 0.000 1.123 1093 A HN 0.401 nan 8.150 nan 0.000 0.545 1094 I N 2.361 122.683 120.570 -0.413 0.000 2.315 1094 I HA 0.116 4.273 4.170 -0.022 0.000 0.291 1094 I C 0.473 176.433 176.117 -0.262 0.000 1.006 1094 I CA -0.636 60.320 61.300 -0.574 0.000 1.265 1094 I CB 1.295 38.930 38.000 -0.609 0.000 1.387 1094 I HN 0.562 nan 8.210 nan 0.000 0.475 1095 D N 5.095 125.417 120.400 -0.131 0.000 2.426 1095 D HA -0.072 4.555 4.640 -0.022 0.000 0.271 1095 D C 1.443 177.723 176.300 -0.034 0.000 1.376 1095 D CA 0.199 54.172 54.000 -0.046 0.000 1.149 1095 D CB 0.754 41.563 40.800 0.016 0.000 1.118 1095 D HN 0.658 nan 8.370 nan 0.000 0.529 1096 S N 3.695 119.362 115.700 -0.055 0.000 2.374 1096 S HA -0.315 4.142 4.470 -0.022 0.000 0.227 1096 S C 1.832 176.429 174.600 -0.006 0.000 1.037 1096 S CA 1.314 59.496 58.200 -0.030 0.000 1.024 1096 S CB -0.167 63.008 63.200 -0.043 0.000 0.861 1096 S HN 0.427 nan 8.310 nan 0.000 0.456 1097 K N 1.807 122.197 120.400 -0.016 0.000 2.218 1097 K HA -0.165 4.142 4.320 -0.022 0.000 0.205 1097 K C 1.668 178.274 176.600 0.009 0.000 1.046 1097 K CA 1.977 58.258 56.287 -0.010 0.000 0.933 1097 K CB -0.626 31.858 32.500 -0.026 0.000 0.728 1097 K HN 0.479 nan 8.250 nan 0.000 0.454 1098 D N -0.633 119.782 120.400 0.025 0.000 2.323 1098 D HA -0.020 4.607 4.640 -0.022 0.000 0.218 1098 D C 1.825 178.191 176.300 0.109 0.000 0.973 1098 D CA 0.409 54.442 54.000 0.054 0.000 0.890 1098 D CB -0.014 40.819 40.800 0.054 0.000 1.011 1098 D HN 0.237 nan 8.370 nan 0.000 0.499 1099 L N 0.374 121.672 121.223 0.126 0.000 1.971 1099 L HA -0.233 4.093 4.340 -0.022 0.000 0.215 1099 L C 2.090 179.031 176.870 0.118 0.000 1.072 1099 L CA 1.524 56.469 54.840 0.175 0.000 0.758 1099 L CB -0.284 41.858 42.059 0.138 0.000 0.889 1099 L HN 0.181 nan 8.230 nan 0.000 0.433 1100 c N -0.164 118.480 118.600 0.072 0.000 2.422 1100 c HA -0.093 4.463 4.570 -0.022 0.000 0.286 1100 c C 2.525 176.661 174.090 0.077 0.000 1.412 1100 c CA 0.135 56.499 56.329 0.058 0.000 1.786 1100 c CB -1.080 41.449 42.510 0.032 0.000 1.835 1100 c HN 0.542 nan 8.230 nan 0.000 0.533 1101 E N 0.776 121.026 120.200 0.084 0.000 2.072 1101 E HA -0.097 4.239 4.350 -0.022 0.000 0.190 1101 E C 2.260 178.948 176.600 0.147 0.000 0.982 1101 E CA 1.325 57.781 56.400 0.094 0.000 0.803 1101 E CB -0.598 29.140 29.700 0.063 0.000 0.755 1101 E HN 0.582 nan 8.360 nan 0.000 0.453 1102 T N 1.412 116.058 114.554 0.152 0.000 2.708 1102 T HA -0.115 4.222 4.350 -0.022 0.000 0.266 1102 T C 2.168 177.012 174.700 0.241 0.000 1.037 1102 T CA 1.413 63.631 62.100 0.197 0.000 1.146 1102 T CB -0.309 68.678 68.868 0.199 0.000 0.865 1102 T HN -0.040 nan 8.240 nan 0.000 0.435 1103 V N 1.430 121.436 119.914 0.153 0.000 2.255 1103 V HA -0.233 3.874 4.120 -0.022 0.000 0.247 1103 V C 2.507 178.693 176.094 0.154 0.000 1.051 1103 V CA 1.775 64.148 62.300 0.121 0.000 1.018 1103 V CB -0.574 31.288 31.823 0.065 0.000 0.641 1103 V HN 0.417 nan 8.190 nan 0.000 0.445 1104 K N -1.393 119.093 120.400 0.142 0.000 2.074 1104 K HA -0.294 4.012 4.320 -0.022 0.000 0.209 1104 K C 1.950 178.651 176.600 0.169 0.000 1.048 1104 K CA 2.316 58.679 56.287 0.126 0.000 0.926 1104 K CB -0.343 32.220 32.500 0.106 0.000 0.713 1104 K HN 0.611 nan 8.250 nan 0.000 0.444 1105 W N 1.487 122.815 121.300 0.046 0.000 2.335 1105 W HA -0.238 4.409 4.660 -0.022 0.000 0.311 1105 W C 1.497 178.061 176.519 0.074 0.000 1.213 1105 W CA 1.545 58.921 57.345 0.052 0.000 1.274 1105 W CB -0.443 29.050 29.460 0.055 0.000 1.148 1105 W HN 0.013 nan 8.180 nan 0.000 0.498 1106 L N 0.106 121.468 121.223 0.232 0.000 1.955 1106 L HA -0.332 3.995 4.340 -0.022 0.000 0.213 1106 L C 2.486 179.404 176.870 0.080 0.000 1.072 1106 L CA 1.707 56.604 54.840 0.095 0.000 0.755 1106 L CB -1.260 40.901 42.059 0.169 0.000 0.888 1106 L HN -0.015 nan 8.230 nan 0.000 0.432 1107 I N -0.571 120.079 120.570 0.134 0.000 2.151 1107 I HA -0.323 3.833 4.170 -0.022 0.000 0.243 1107 I C 2.518 178.609 176.117 -0.044 0.000 1.080 1107 I CA 1.643 62.998 61.300 0.091 0.000 1.339 1107 I CB -1.210 36.830 38.000 0.067 0.000 1.039 1107 I HN 0.254 nan 8.210 nan 0.000 0.409 1108 L N 0.452 121.631 121.223 -0.074 0.000 2.013 1108 L HA -0.097 4.230 4.340 -0.022 0.000 0.204 1108 L C 2.661 179.405 176.870 -0.209 0.000 1.081 1108 L CA 1.704 56.473 54.840 -0.118 0.000 0.751 1108 L CB -1.433 40.580 42.059 -0.076 0.000 0.901 1108 L HN 0.245 nan 8.230 nan 0.000 0.440 1109 E N 0.067 120.049 120.200 -0.363 0.000 2.153 1109 E HA -0.172 4.165 4.350 -0.022 0.000 0.194 1109 E C 1.930 178.269 176.600 -0.436 0.000 0.988 1109 E CA 0.934 57.048 56.400 -0.478 0.000 0.811 1109 E CB 0.116 29.284 29.700 -0.886 0.000 0.746 1109 E HN 0.340 nan 8.360 nan 0.000 0.466 1110 K N 0.068 120.224 120.400 -0.406 0.000 2.399 1110 K HA 0.091 4.398 4.320 -0.022 0.000 0.196 1110 K C 0.911 177.421 176.600 -0.151 0.000 1.117 1110 K CA 0.009 56.161 56.287 -0.224 0.000 0.965 1110 K CB 0.231 32.636 32.500 -0.158 0.000 0.983 1110 K HN 0.100 nan 8.250 nan 0.000 0.531 1111 Q N 2.053 121.713 119.800 -0.233 0.000 2.296 1111 Q HA 0.084 4.411 4.340 -0.022 0.000 0.262 1111 Q C -0.641 175.127 176.000 -0.387 0.000 0.981 1111 Q CA 0.105 55.568 55.803 -0.566 0.000 0.905 1111 Q CB 0.658 28.928 28.738 -0.781 0.000 1.186 1111 Q HN -0.041 nan 8.270 nan 0.000 0.399 1112 K N 4.403 124.569 120.400 -0.391 0.000 2.132 1112 K HA 0.120 4.427 4.320 -0.022 0.000 0.240 1112 K C -1.550 174.893 176.600 -0.262 0.000 1.036 1112 K CA -1.292 54.829 56.287 -0.276 0.000 0.888 1112 K CB 0.241 32.584 32.500 -0.262 0.000 1.071 1112 K HN 0.525 nan 8.250 nan 0.000 0.502 1113 P HA -0.162 nan 4.420 nan 0.000 0.221 1113 P C 0.005 177.217 177.300 -0.147 0.000 1.150 1113 P CA 1.407 64.418 63.100 -0.147 0.000 0.800 1113 P CB 0.110 31.748 31.700 -0.103 0.000 0.787 1114 D N -1.381 118.914 120.400 -0.175 0.000 2.336 1114 D HA 0.128 4.755 4.640 -0.022 0.000 0.228 1114 D C 1.419 177.585 176.300 -0.225 0.000 1.120 1114 D CA 0.355 54.266 54.000 -0.148 0.000 0.839 1114 D CB -0.467 40.265 40.800 -0.113 0.000 0.932 1114 D HN 0.285 nan 8.370 nan 0.000 0.509 1115 G N 0.688 109.305 108.800 -0.304 0.000 2.284 1115 G HA2 -0.275 3.672 3.960 -0.022 0.000 0.230 1115 G HA3 -0.275 3.672 3.960 -0.022 0.000 0.230 1115 G C 0.336 174.881 174.900 -0.592 0.000 1.021 1115 G CA -0.018 44.870 45.100 -0.355 0.000 0.619 1115 G HN 0.416 nan 8.290 nan 0.000 0.510 1116 I N 1.099 121.240 120.570 -0.715 0.000 2.872 1116 I HA 0.300 4.456 4.170 -0.022 0.000 0.291 1116 I C 0.241 176.011 176.117 -0.578 0.000 1.216 1116 I CA 0.292 61.180 61.300 -0.686 0.000 1.424 1116 I CB 0.251 37.846 38.000 -0.675 0.000 1.351 1116 I HN 0.047 nan 8.210 nan 0.000 0.592 1117 F N 4.113 123.950 119.950 -0.188 0.000 2.426 1117 F HA 0.341 4.854 4.527 -0.022 0.000 0.348 1117 F C 0.408 176.155 175.800 -0.087 0.000 1.124 1117 F CA -0.417 57.518 58.000 -0.108 0.000 1.008 1117 F CB 1.270 40.249 39.000 -0.035 0.000 1.139 1117 F HN 0.430 nan 8.300 nan 0.000 0.452 1118 Q N 2.208 122.033 119.800 0.042 0.000 2.227 1118 Q HA 0.300 4.627 4.340 -0.022 0.000 0.245 1118 Q C -0.958 175.083 176.000 0.069 0.000 0.926 1118 Q CA -0.757 55.056 55.803 0.015 0.000 0.895 1118 Q CB 1.454 30.164 28.738 -0.046 0.000 1.230 1118 Q HN 0.604 nan 8.270 nan 0.000 0.450 1119 E N 2.098 122.337 120.200 0.065 0.000 2.129 1119 E HA 0.139 4.475 4.350 -0.022 0.000 0.268 1119 E C -0.984 175.663 176.600 0.078 0.000 0.900 1119 E CA -0.226 56.233 56.400 0.099 0.000 0.755 1119 E CB 1.021 30.775 29.700 0.089 0.000 1.117 1119 E HN 0.600 nan 8.360 nan 0.000 0.410 1120 D N 2.904 123.369 120.400 0.107 0.000 2.388 1120 D HA 0.133 4.759 4.640 -0.022 0.000 0.208 1120 D C 0.661 177.029 176.300 0.113 0.000 1.035 1120 D CA 0.392 54.448 54.000 0.094 0.000 0.875 1120 D CB 0.423 41.279 40.800 0.094 0.000 0.984 1120 D HN 0.521 nan 8.370 nan 0.000 0.508 1121 G N 1.798 110.690 108.800 0.153 0.000 2.528 1121 G HA2 0.378 4.325 3.960 -0.022 0.000 0.289 1121 G HA3 0.378 4.325 3.960 -0.022 0.000 0.289 1121 G C -2.438 172.532 174.900 0.117 0.000 1.192 1121 G CA -0.926 44.263 45.100 0.148 0.000 0.921 1121 G HN -0.121 nan 8.290 nan 0.000 0.512 1122 P HA 0.101 nan 4.420 nan 0.000 0.268 1122 P C 0.192 177.539 177.300 0.079 0.000 1.204 1122 P CA -0.169 62.982 63.100 0.086 0.000 0.768 1122 P CB 0.962 32.723 31.700 0.101 0.000 0.842 1123 V N 4.773 124.701 119.914 0.024 0.000 2.599 1123 V HA -0.048 4.059 4.120 -0.022 0.000 0.300 1123 V C 2.003 178.065 176.094 -0.054 0.000 1.034 1123 V CA 0.545 62.821 62.300 -0.039 0.000 1.115 1123 V CB -0.345 31.420 31.823 -0.097 0.000 0.934 1123 V HN 0.471 nan 8.190 nan 0.000 0.485 1124 I N 1.718 122.207 120.570 -0.134 0.000 2.927 1124 I HA 0.102 4.258 4.170 -0.022 0.000 0.268 1124 I C 1.019 176.943 176.117 -0.322 0.000 1.153 1124 I CA 0.474 61.704 61.300 -0.116 0.000 1.459 1124 I CB 0.038 38.060 38.000 0.036 0.000 1.149 1124 I HN 0.654 nan 8.210 nan 0.000 0.443 1125 H N 2.203 120.737 119.070 -0.893 0.000 2.457 1125 H HA 0.148 4.691 4.556 -0.022 0.000 0.335 1125 H C 0.495 175.477 175.328 -0.576 0.000 1.115 1125 H CA -0.166 55.327 56.048 -0.925 0.000 1.219 1125 H CB 1.929 30.673 29.762 -1.698 0.000 1.471 1125 H HN 0.129 nan 8.280 nan 0.000 0.491 1126 Q N 3.045 122.502 119.800 -0.572 0.000 2.181 1126 Q HA -0.123 4.204 4.340 -0.022 0.000 0.205 1126 Q C 0.012 175.769 176.000 -0.405 0.000 0.980 1126 Q CA 1.384 56.925 55.803 -0.438 0.000 0.862 1126 Q CB 0.315 28.729 28.738 -0.540 0.000 0.905 1126 Q HN 0.622 nan 8.270 nan 0.000 0.429 1127 E N -0.106 119.916 120.200 -0.297 0.000 2.296 1127 E HA 0.014 4.351 4.350 -0.022 0.000 0.196 1127 E C 0.094 176.484 176.600 -0.349 0.000 1.143 1127 E CA 0.021 56.149 56.400 -0.454 0.000 1.145 1127 E CB 0.396 29.547 29.700 -0.915 0.000 1.215 1127 E HN 0.442 nan 8.360 nan 0.000 0.447 1128 M N 0.358 119.772 119.600 -0.309 0.000 2.589 1128 M HA 0.335 4.802 4.480 -0.022 0.000 0.344 1128 M C 0.040 176.229 176.300 -0.185 0.000 1.168 1128 M CA -0.084 55.066 55.300 -0.251 0.000 0.956 1128 M CB -0.144 32.259 32.600 -0.329 0.000 1.370 1128 M HN -0.035 nan 8.290 nan 0.000 0.518 1129 I N -0.291 120.161 120.570 -0.198 0.000 2.466 1129 I HA 0.545 4.702 4.170 -0.022 0.000 0.289 1129 I C 0.731 176.744 176.117 -0.173 0.000 1.026 1129 I CA -1.124 60.077 61.300 -0.164 0.000 1.078 1129 I CB 1.956 39.856 38.000 -0.167 0.000 1.249 1129 I HN 0.198 nan 8.210 nan 0.000 0.429 1130 G N 4.286 113.002 108.800 -0.140 0.000 2.307 1130 G HA2 0.357 4.304 3.960 -0.022 0.000 0.271 1130 G HA3 0.357 4.304 3.960 -0.022 0.000 0.271 1130 G C 0.615 175.377 174.900 -0.230 0.000 1.191 1130 G CA -0.189 44.816 45.100 -0.157 0.000 1.024 1130 G HN 0.909 nan 8.290 nan 0.000 0.441 1131 G N 2.515 111.099 108.800 -0.361 0.000 2.391 1131 G HA2 0.372 4.319 3.960 -0.022 0.000 0.234 1131 G HA3 0.372 4.319 3.960 -0.022 0.000 0.234 1131 G C 0.524 175.019 174.900 -0.676 0.000 1.284 1131 G CA -0.336 44.399 45.100 -0.609 0.000 0.873 1131 G HN 1.327 nan 8.290 nan 0.000 0.549 1132 F N 0.460 120.372 119.950 -0.063 0.000 2.025 1132 F HA -0.224 4.289 4.527 -0.022 0.000 0.147 1132 F C 1.223 177.002 175.800 -0.034 0.000 1.043 1132 F CA 0.080 58.049 58.000 -0.051 0.000 0.647 1132 F CB -1.032 37.938 39.000 -0.050 0.000 0.548 1132 F HN 0.638 nan 8.300 nan 0.000 0.726 1133 R N 0.375 120.921 120.500 0.076 0.000 3.484 1133 R HA -0.263 4.064 4.340 -0.022 0.000 0.260 1133 R C -0.390 175.935 176.300 0.041 0.000 1.053 1133 R CA 1.224 57.356 56.100 0.054 0.000 0.703 1133 R CB -1.176 29.171 30.300 0.078 0.000 1.089 1133 R HN 0.835 nan 8.270 nan 0.000 0.459 1134 D N 0.094 120.458 120.400 -0.061 0.000 2.316 1134 D HA 0.066 4.693 4.640 -0.022 0.000 0.245 1134 D C 0.840 177.111 176.300 -0.049 0.000 1.171 1134 D CA 0.224 54.181 54.000 -0.072 0.000 0.856 1134 D CB 0.951 41.622 40.800 -0.215 0.000 1.090 1134 D HN 0.198 nan 8.370 nan 0.000 0.476 1135 T N 1.458 116.007 114.554 -0.008 0.000 3.272 1135 T HA 0.132 4.468 4.350 -0.022 0.000 0.250 1135 T C 0.979 175.693 174.700 0.024 0.000 1.082 1135 T CA -0.127 61.977 62.100 0.007 0.000 0.968 1135 T CB 0.503 69.383 68.868 0.021 0.000 1.015 1135 T HN 0.118 nan 8.240 nan 0.000 0.563 1136 R N 0.885 121.383 120.500 -0.003 0.000 2.674 1136 R HA 0.426 4.752 4.340 -0.022 0.000 0.266 1136 R C 0.457 176.749 176.300 -0.015 0.000 1.016 1136 R CA -0.714 55.391 56.100 0.008 0.000 1.062 1136 R CB 0.530 30.820 30.300 -0.017 0.000 1.142 1136 R HN 0.182 nan 8.270 nan 0.000 0.517 1137 E N -0.368 119.834 120.200 0.003 0.000 3.313 1137 E HA -0.317 4.019 4.350 -0.022 0.000 0.283 1137 E C -0.555 176.048 176.600 0.004 0.000 0.941 1137 E CA 1.050 57.438 56.400 -0.020 0.000 0.907 1137 E CB -0.666 28.988 29.700 -0.076 0.000 1.458 1137 E HN 0.351 nan 8.360 nan 0.000 0.463 1138 K N 1.131 121.550 120.400 0.033 0.000 2.416 1138 K HA -0.039 4.268 4.320 -0.022 0.000 0.283 1138 K C -0.004 176.643 176.600 0.079 0.000 1.037 1138 K CA 0.843 57.144 56.287 0.024 0.000 0.995 1138 K CB 0.405 32.917 32.500 0.020 0.000 0.938 1138 K HN 0.071 nan 8.250 nan 0.000 0.475 1139 D N 1.760 122.184 120.400 0.040 0.000 3.041 1139 D HA -0.170 4.457 4.640 -0.022 0.000 0.220 1139 D C 0.673 177.084 176.300 0.185 0.000 1.157 1139 D CA 0.651 54.682 54.000 0.051 0.000 0.876 1139 D CB -1.501 39.251 40.800 -0.081 0.000 1.107 1139 D HN 0.289 nan 8.370 nan 0.000 0.422 1140 V N 0.195 120.215 119.914 0.177 0.000 2.436 1140 V HA -0.133 3.974 4.120 -0.022 0.000 0.240 1140 V C 2.462 178.631 176.094 0.125 0.000 1.040 1140 V CA 1.804 64.219 62.300 0.191 0.000 1.052 1140 V CB -0.222 31.630 31.823 0.048 0.000 0.707 1140 V HN 0.216 nan 8.190 nan 0.000 0.469 1141 S N 0.700 116.439 115.700 0.066 0.000 2.359 1141 S HA -0.236 4.221 4.470 -0.022 0.000 0.223 1141 S C 1.910 176.584 174.600 0.123 0.000 1.039 1141 S CA 2.225 60.465 58.200 0.066 0.000 1.042 1141 S CB -0.491 62.708 63.200 -0.001 0.000 0.915 1141 S HN 0.434 nan 8.310 nan 0.000 0.439 1142 L N 1.550 122.845 121.223 0.119 0.000 2.093 1142 L HA -0.020 4.307 4.340 -0.022 0.000 0.208 1142 L C 2.175 179.196 176.870 0.251 0.000 1.085 1142 L CA 1.857 56.823 54.840 0.210 0.000 0.755 1142 L CB -1.346 40.812 42.059 0.165 0.000 0.904 1142 L HN 0.187 nan 8.230 nan 0.000 0.435 1143 T N -0.102 114.599 114.554 0.244 0.000 2.833 1143 T HA -0.086 4.250 4.350 -0.022 0.000 0.269 1143 T C 1.861 176.706 174.700 0.241 0.000 1.054 1143 T CA 1.216 63.520 62.100 0.340 0.000 1.135 1143 T CB -0.358 68.694 68.868 0.307 0.000 0.869 1143 T HN 0.543 nan 8.240 nan 0.000 0.466 1144 A N 0.945 123.876 122.820 0.185 0.000 1.874 1144 A HA 0.083 4.389 4.320 -0.022 0.000 0.214 1144 A C 1.949 179.583 177.584 0.083 0.000 1.189 1144 A CA 0.921 53.020 52.037 0.103 0.000 0.615 1144 A CB -0.960 18.076 19.000 0.059 0.000 0.830 1144 A HN 0.433 nan 8.150 nan 0.000 0.443 1145 F N 1.129 121.071 119.950 -0.014 0.000 2.063 1145 F HA -0.235 4.279 4.527 -0.022 0.000 0.298 1145 F C 2.265 178.017 175.800 -0.079 0.000 1.109 1145 F CA 2.242 60.238 58.000 -0.007 0.000 1.212 1145 F CB -0.531 38.516 39.000 0.079 0.000 0.973 1145 F HN 0.033 nan 8.300 nan 0.000 0.480 1146 V N 0.486 120.330 119.914 -0.116 0.000 2.343 1146 V HA -0.276 3.831 4.120 -0.022 0.000 0.247 1146 V C 2.382 178.239 176.094 -0.395 0.000 1.051 1146 V CA 1.712 63.739 62.300 -0.454 0.000 1.036 1146 V CB -0.954 30.301 31.823 -0.945 0.000 0.654 1146 V HN 0.497 nan 8.190 nan 0.000 0.451 1147 L N 0.342 121.446 121.223 -0.199 0.000 2.012 1147 L HA -0.182 4.144 4.340 -0.022 0.000 0.210 1147 L C 2.189 178.994 176.870 -0.109 0.000 1.073 1147 L CA 1.977 56.770 54.840 -0.078 0.000 0.748 1147 L CB -0.629 41.441 42.059 0.017 0.000 0.891 1147 L HN 0.260 nan 8.230 nan 0.000 0.431 1148 I N -0.150 120.326 120.570 -0.157 0.000 2.163 1148 I HA -0.334 3.823 4.170 -0.022 0.000 0.243 1148 I C 2.668 178.709 176.117 -0.126 0.000 1.085 1148 I CA 1.326 62.529 61.300 -0.161 0.000 1.347 1148 I CB -0.897 37.050 38.000 -0.089 0.000 1.044 1148 I HN 0.424 nan 8.210 nan 0.000 0.408 1149 A N 1.352 124.024 122.820 -0.246 0.000 1.841 1149 A HA -0.191 4.116 4.320 -0.022 0.000 0.216 1149 A C 2.283 179.777 177.584 -0.151 0.000 1.199 1149 A CA 1.610 53.498 52.037 -0.248 0.000 0.621 1149 A CB -1.152 17.614 19.000 -0.390 0.000 0.835 1149 A HN 0.405 nan 8.150 nan 0.000 0.445 1150 L N -0.915 120.218 121.223 -0.150 0.000 2.263 1150 L HA -0.243 4.084 4.340 -0.022 0.000 0.216 1150 L C 2.617 179.464 176.870 -0.039 0.000 1.111 1150 L CA 1.533 56.324 54.840 -0.082 0.000 0.773 1150 L CB -0.702 41.325 42.059 -0.053 0.000 0.906 1150 L HN 0.645 nan 8.230 nan 0.000 0.439 1151 H N -0.133 118.869 119.070 -0.115 0.000 2.482 1151 H HA -0.097 4.446 4.556 -0.022 0.000 0.286 1151 H C 1.975 177.248 175.328 -0.092 0.000 1.017 1151 H CA 1.191 57.179 56.048 -0.100 0.000 1.322 1151 H CB 0.617 30.302 29.762 -0.129 0.000 1.426 1151 H HN 0.289 nan 8.280 nan 0.000 0.546 1152 E N 0.726 120.909 120.200 -0.028 0.000 2.112 1152 E HA 0.070 4.406 4.350 -0.022 0.000 0.190 1152 E C 1.533 178.072 176.600 -0.103 0.000 0.979 1152 E CA 0.911 57.278 56.400 -0.056 0.000 0.814 1152 E CB -0.072 29.604 29.700 -0.040 0.000 0.762 1152 E HN 0.404 nan 8.360 nan 0.000 0.460 1153 A N 0.297 123.059 122.820 -0.097 0.000 2.411 1153 A HA 0.129 4.436 4.320 -0.022 0.000 0.251 1153 A C 1.574 179.104 177.584 -0.091 0.000 1.317 1153 A CA 0.079 52.069 52.037 -0.079 0.000 0.904 1153 A CB -0.373 18.592 19.000 -0.057 0.000 0.993 1153 A HN 0.117 nan 8.150 nan 0.000 0.504 1154 K N 0.433 120.745 120.400 -0.146 0.000 1.985 1154 K HA -0.180 4.127 4.320 -0.022 0.000 0.210 1154 K C 1.041 177.574 176.600 -0.110 0.000 1.047 1154 K CA 1.931 58.125 56.287 -0.154 0.000 0.932 1154 K CB -0.129 32.200 32.500 -0.286 0.000 0.716 1154 K HN 0.383 nan 8.250 nan 0.000 0.439 1155 D N 0.654 120.985 120.400 -0.114 0.000 2.117 1155 D HA -0.157 4.470 4.640 -0.022 0.000 0.197 1155 D C 1.974 178.240 176.300 -0.056 0.000 0.987 1155 D CA 1.198 55.152 54.000 -0.078 0.000 0.829 1155 D CB -0.264 40.493 40.800 -0.071 0.000 0.961 1155 D HN 0.232 nan 8.370 nan 0.000 0.460 1156 I N 0.506 121.044 120.570 -0.055 0.000 2.335 1156 I HA -0.227 3.930 4.170 -0.022 0.000 0.251 1156 I C 1.807 177.904 176.117 -0.032 0.000 1.129 1156 I CA 0.950 62.225 61.300 -0.042 0.000 1.402 1156 I CB -0.232 37.745 38.000 -0.039 0.000 1.069 1156 I HN 0.016 nan 8.210 nan 0.000 0.424 1157 c N -0.145 118.436 118.600 -0.032 0.000 2.647 1157 c HA 0.245 4.802 4.570 -0.022 0.000 0.296 1157 c C 2.077 176.154 174.090 -0.021 0.000 1.403 1157 c CA -0.747 55.571 56.329 -0.019 0.000 1.781 1157 c CB -1.141 41.364 42.510 -0.007 0.000 2.464 1157 c HN 0.374 nan 8.230 nan 0.000 0.559 1158 E N 2.822 123.004 120.200 -0.030 0.000 2.000 1158 E HA -0.172 4.165 4.350 -0.022 0.000 0.199 1158 E C 2.226 178.814 176.600 -0.020 0.000 1.011 1158 E CA 2.228 58.611 56.400 -0.029 0.000 0.836 1158 E CB -0.141 29.539 29.700 -0.034 0.000 0.778 1158 E HN 0.527 nan 8.360 nan 0.000 0.462 1159 A N 0.189 122.998 122.820 -0.019 0.000 1.968 1159 A HA -0.135 4.171 4.320 -0.022 0.000 0.217 1159 A C 2.107 179.684 177.584 -0.011 0.000 1.169 1159 A CA 1.150 53.179 52.037 -0.015 0.000 0.638 1159 A CB -0.467 18.523 19.000 -0.016 0.000 0.812 1159 A HN 0.260 nan 8.150 nan 0.000 0.446 1160 Q N -0.206 119.588 119.800 -0.011 0.000 2.096 1160 Q HA -0.141 4.185 4.340 -0.022 0.000 0.208 1160 Q C 0.095 176.096 176.000 0.002 0.000 0.993 1160 Q CA 1.479 57.279 55.803 -0.005 0.000 0.862 1160 Q CB -0.355 28.381 28.738 -0.003 0.000 0.915 1160 Q HN 0.434 nan 8.270 nan 0.000 0.416 1161 V N 1.403 121.319 119.914 0.003 0.000 2.604 1161 V HA 0.216 4.323 4.120 -0.022 0.000 0.305 1161 V C 0.324 176.420 176.094 0.003 0.000 1.043 1161 V CA -0.611 61.694 62.300 0.008 0.000 0.888 1161 V CB 1.897 33.730 31.823 0.018 0.000 0.995 1161 V HN 0.166 nan 8.190 nan 0.000 0.429 1162 N N 1.411 120.112 118.700 0.002 0.000 2.270 1162 N HA 0.051 4.778 4.740 -0.022 0.000 0.198 1162 N C 1.046 176.556 175.510 -0.000 0.000 1.117 1162 N CA 0.232 53.281 53.050 -0.001 0.000 0.845 1162 N CB 0.975 39.460 38.487 -0.003 0.000 0.980 1162 N HN 0.625 nan 8.380 nan 0.000 0.486 1163 S N 0.106 115.809 115.700 0.005 0.000 2.506 1163 S HA 0.206 4.663 4.470 -0.022 0.000 0.219 1163 S C 1.832 176.442 174.600 0.016 0.000 1.031 1163 S CA -0.421 57.783 58.200 0.007 0.000 0.911 1163 S CB 0.632 63.837 63.200 0.007 0.000 0.812 1163 S HN 0.196 nan 8.310 nan 0.000 0.497 1164 L N 1.963 123.196 121.223 0.018 0.000 2.043 1164 L HA -0.177 4.150 4.340 -0.022 0.000 0.212 1164 L C 2.505 179.385 176.870 0.016 0.000 1.075 1164 L CA 1.653 56.506 54.840 0.021 0.000 0.752 1164 L CB -0.944 41.117 42.059 0.004 0.000 0.891 1164 L HN 0.484 nan 8.230 nan 0.000 0.432 1165 G N -0.590 108.213 108.800 0.005 0.000 2.459 1165 G HA2 -0.274 3.673 3.960 -0.022 0.000 0.217 1165 G HA3 -0.274 3.673 3.960 -0.022 0.000 0.217 1165 G C 1.537 176.444 174.900 0.012 0.000 1.183 1165 G CA 0.504 45.606 45.100 0.003 0.000 0.776 1165 G HN 0.247 nan 8.290 nan 0.000 0.552 1166 R N 0.588 121.094 120.500 0.010 0.000 2.075 1166 R HA 0.094 4.421 4.340 -0.022 0.000 0.226 1166 R C 2.781 179.090 176.300 0.015 0.000 1.114 1166 R CA 1.082 57.187 56.100 0.008 0.000 0.972 1166 R CB -1.575 28.723 30.300 -0.003 0.000 0.869 1166 R HN 0.392 nan 8.270 nan 0.000 0.437 1167 S N 1.040 116.754 115.700 0.024 0.000 2.365 1167 S HA -0.099 4.357 4.470 -0.022 0.000 0.225 1167 S C 2.025 176.679 174.600 0.090 0.000 1.039 1167 S CA 1.059 59.285 58.200 0.043 0.000 1.033 1167 S CB -0.170 63.083 63.200 0.089 0.000 0.887 1167 S HN 0.228 nan 8.310 nan 0.000 0.447 1168 I N 1.482 122.108 120.570 0.093 0.000 2.099 1168 I HA -0.214 3.943 4.170 -0.022 0.000 0.239 1168 I C 2.876 179.042 176.117 0.082 0.000 1.066 1168 I CA 1.217 62.579 61.300 0.103 0.000 1.324 1168 I CB -0.781 37.268 38.000 0.082 0.000 1.037 1168 I HN 0.426 nan 8.210 nan 0.000 0.401 1169 A N 0.937 123.790 122.820 0.054 0.000 1.903 1169 A HA -0.302 4.005 4.320 -0.022 0.000 0.219 1169 A C 2.293 179.905 177.584 0.048 0.000 1.191 1169 A CA 2.184 54.246 52.037 0.042 0.000 0.638 1169 A CB -0.675 18.341 19.000 0.027 0.000 0.823 1169 A HN 0.374 nan 8.150 nan 0.000 0.451 1170 K N -0.584 119.839 120.400 0.037 0.000 2.032 1170 K HA -0.138 4.169 4.320 -0.022 0.000 0.209 1170 K C 2.366 179.009 176.600 0.071 0.000 1.048 1170 K CA 1.308 57.612 56.287 0.028 0.000 0.927 1170 K CB -0.387 32.096 32.500 -0.030 0.000 0.712 1170 K HN 0.486 nan 8.250 nan 0.000 0.441 1171 A N 1.222 124.097 122.820 0.092 0.000 1.858 1171 A HA -0.091 4.216 4.320 -0.022 0.000 0.216 1171 A C 2.488 180.183 177.584 0.184 0.000 1.190 1171 A CA 1.917 54.059 52.037 0.175 0.000 0.617 1171 A CB -1.377 17.788 19.000 0.275 0.000 0.827 1171 A HN 0.430 nan 8.150 nan 0.000 0.443 1172 G N -0.232 108.637 108.800 0.114 0.000 2.469 1172 G HA2 -0.311 3.636 3.960 -0.022 0.000 0.220 1172 G HA3 -0.311 3.636 3.960 -0.022 0.000 0.220 1172 G C 1.226 176.169 174.900 0.070 0.000 1.136 1172 G CA 1.348 46.489 45.100 0.068 0.000 0.759 1172 G HN 0.497 nan 8.290 nan 0.000 0.562 1173 D N -0.020 120.430 120.400 0.085 0.000 2.084 1173 D HA -0.101 4.525 4.640 -0.022 0.000 0.196 1173 D C 2.061 178.425 176.300 0.107 0.000 0.985 1173 D CA 0.729 54.777 54.000 0.080 0.000 0.826 1173 D CB -0.428 40.419 40.800 0.078 0.000 0.978 1173 D HN 0.284 nan 8.370 nan 0.000 0.456 1174 F N 1.843 121.804 119.950 0.018 0.000 2.147 1174 F HA -0.202 4.311 4.527 -0.022 0.000 0.301 1174 F C 2.096 177.915 175.800 0.032 0.000 1.084 1174 F CA 1.223 59.218 58.000 -0.008 0.000 1.268 1174 F CB -0.344 38.593 39.000 -0.105 0.000 1.009 1174 F HN -0.103 nan 8.300 nan 0.000 0.486 1175 L N -0.166 120.980 121.223 -0.129 0.000 2.109 1175 L HA -0.145 4.182 4.340 -0.022 0.000 0.207 1175 L C 2.510 179.380 176.870 -0.001 0.000 1.086 1175 L CA 1.664 56.422 54.840 -0.136 0.000 0.760 1175 L CB -0.841 41.252 42.059 0.057 0.000 0.910 1175 L HN 0.203 nan 8.230 nan 0.000 0.437 1176 E N 0.492 120.708 120.200 0.027 0.000 2.077 1176 E HA -0.208 4.128 4.350 -0.022 0.000 0.193 1176 E C 1.872 178.498 176.600 0.042 0.000 0.989 1176 E CA 1.323 57.747 56.400 0.040 0.000 0.800 1176 E CB 0.183 29.889 29.700 0.009 0.000 0.746 1176 E HN 0.464 nan 8.360 nan 0.000 0.452 1177 N N -0.291 118.423 118.700 0.023 0.000 2.300 1177 N HA -0.102 4.625 4.740 -0.022 0.000 0.179 1177 N C 1.093 176.583 175.510 -0.033 0.000 1.016 1177 N CA 0.941 54.003 53.050 0.020 0.000 0.876 1177 N CB -0.232 38.296 38.487 0.068 0.000 0.979 1177 N HN 0.291 nan 8.380 nan 0.000 0.432 1178 H N -1.174 117.742 119.070 -0.257 0.000 2.539 1178 H HA 0.139 4.682 4.556 -0.022 0.000 0.269 1178 H C 1.140 176.365 175.328 -0.172 0.000 0.980 1178 H CA -0.126 55.752 56.048 -0.283 0.000 1.152 1178 H CB -0.163 29.240 29.762 -0.598 0.000 1.407 1178 H HN 0.268 nan 8.280 nan 0.000 0.564 1179 Y N 1.878 122.132 120.300 -0.076 0.000 2.242 1179 Y HA -0.236 4.300 4.550 -0.022 0.000 0.291 1179 Y C 2.379 178.263 175.900 -0.026 0.000 1.137 1179 Y CA 1.367 59.439 58.100 -0.046 0.000 1.181 1179 Y CB 0.211 38.649 38.460 -0.036 0.000 0.989 1179 Y HN 0.202 nan 8.280 nan 0.000 0.527 1180 R N -0.036 120.565 120.500 0.169 0.000 2.200 1180 R HA -0.187 4.139 4.340 -0.022 0.000 0.234 1180 R C 1.393 177.713 176.300 0.034 0.000 1.127 1180 R CA 1.990 58.154 56.100 0.107 0.000 0.989 1180 R CB -0.579 29.747 30.300 0.042 0.000 0.869 1180 R HN 0.398 nan 8.270 nan 0.000 0.459 1181 E N 1.079 121.265 120.200 -0.022 0.000 2.250 1181 E HA 0.123 4.460 4.350 -0.022 0.000 0.192 1181 E C 0.205 176.772 176.600 -0.056 0.000 0.986 1181 E CA -0.140 56.235 56.400 -0.042 0.000 0.849 1181 E CB 0.119 29.783 29.700 -0.060 0.000 0.797 1181 E HN 0.222 nan 8.360 nan 0.000 0.482 1182 L N 1.104 122.256 121.223 -0.119 0.000 2.529 1182 L HA -0.035 4.292 4.340 -0.022 0.000 0.287 1182 L C 1.325 178.155 176.870 -0.067 0.000 1.241 1182 L CA 0.746 55.495 54.840 -0.152 0.000 0.857 1182 L CB 0.240 42.086 42.059 -0.356 0.000 1.113 1182 L HN 0.110 nan 8.230 nan 0.000 0.504 1183 R N 0.834 121.309 120.500 -0.040 0.000 2.650 1183 R HA 0.203 4.530 4.340 -0.022 0.000 0.212 1183 R C 0.113 176.431 176.300 0.030 0.000 0.904 1183 R CA -0.477 55.625 56.100 0.003 0.000 1.021 1183 R CB 0.528 30.831 30.300 0.005 0.000 1.519 1183 R HN 0.523 nan 8.270 nan 0.000 0.639 1184 R N 1.829 122.344 120.500 0.024 0.000 2.438 1184 R HA 0.135 4.461 4.340 -0.022 0.000 0.287 1184 R C -1.979 174.403 176.300 0.136 0.000 1.077 1184 R CA -1.672 54.468 56.100 0.066 0.000 1.034 1184 R CB 0.574 30.894 30.300 0.033 0.000 0.993 1184 R HN -0.114 nan 8.270 nan 0.000 0.459 1185 P HA -0.284 nan 4.420 nan 0.000 0.213 1185 P C 0.886 178.382 177.300 0.326 0.000 1.176 1185 P CA 1.386 64.665 63.100 0.299 0.000 0.919 1185 P CB -0.129 31.740 31.700 0.282 0.000 0.791 1186 Y N 0.198 120.600 120.300 0.169 0.000 2.069 1186 Y HA -0.319 4.218 4.550 -0.022 0.000 0.278 1186 Y C 2.228 178.144 175.900 0.027 0.000 1.175 1186 Y CA 2.650 60.824 58.100 0.123 0.000 1.134 1186 Y CB -1.049 37.470 38.460 0.098 0.000 0.965 1186 Y HN -0.034 nan 8.280 nan 0.000 0.498 1187 T N -0.570 114.170 114.554 0.310 0.000 2.746 1187 T HA -0.198 4.139 4.350 -0.022 0.000 0.267 1187 T C 1.965 176.668 174.700 0.005 0.000 1.039 1187 T CA 1.528 63.706 62.100 0.130 0.000 1.142 1187 T CB -0.898 67.983 68.868 0.021 0.000 0.866 1187 T HN 0.230 nan 8.240 nan 0.000 0.444 1188 V N 1.813 121.750 119.914 0.040 0.000 2.282 1188 V HA -0.227 3.879 4.120 -0.022 0.000 0.249 1188 V C 2.912 179.096 176.094 0.150 0.000 1.057 1188 V CA 1.903 64.239 62.300 0.060 0.000 1.032 1188 V CB -1.273 30.704 31.823 0.257 0.000 0.645 1188 V HN 0.579 nan 8.190 nan 0.000 0.447 1189 A N -0.251 122.625 122.820 0.094 0.000 1.841 1189 A HA -0.146 4.161 4.320 -0.022 0.000 0.214 1189 A C 2.285 179.750 177.584 -0.200 0.000 1.195 1189 A CA 1.703 53.681 52.037 -0.099 0.000 0.611 1189 A CB -0.637 18.215 19.000 -0.245 0.000 0.835 1189 A HN 0.359 nan 8.150 nan 0.000 0.443 1190 I N 0.236 120.616 120.570 -0.316 0.000 2.194 1190 I HA -0.299 3.858 4.170 -0.022 0.000 0.246 1190 I C 2.587 178.573 176.117 -0.219 0.000 1.093 1190 I CA 2.010 62.989 61.300 -0.536 0.000 1.355 1190 I CB -0.940 36.651 38.000 -0.682 0.000 1.046 1190 I HN 0.358 nan 8.210 nan 0.000 0.413 1191 A N 0.284 123.039 122.820 -0.108 0.000 1.968 1191 A HA -0.011 4.295 4.320 -0.022 0.000 0.217 1191 A C 2.487 180.089 177.584 0.029 0.000 1.169 1191 A CA 1.458 53.486 52.037 -0.014 0.000 0.638 1191 A CB -0.704 18.285 19.000 -0.018 0.000 0.812 1191 A HN 0.517 nan 8.150 nan 0.000 0.446 1192 A N -1.241 121.566 122.820 -0.022 0.000 1.898 1192 A HA -0.095 4.212 4.320 -0.022 0.000 0.216 1192 A C 2.123 179.555 177.584 -0.253 0.000 1.181 1192 A CA 1.637 53.541 52.037 -0.221 0.000 0.620 1192 A CB -0.762 17.792 19.000 -0.743 0.000 0.819 1192 A HN 0.698 nan 8.150 nan 0.000 0.442 1193 Y N 0.767 120.881 120.300 -0.310 0.000 2.200 1193 Y HA -0.034 4.503 4.550 -0.022 0.000 0.290 1193 Y C 2.613 178.408 175.900 -0.174 0.000 1.137 1193 Y CA 0.913 58.882 58.100 -0.218 0.000 1.163 1193 Y CB -0.771 37.647 38.460 -0.069 0.000 0.988 1193 Y HN 0.303 nan 8.280 nan 0.000 0.518 1194 A N 0.513 123.174 122.820 -0.264 0.000 1.883 1194 A HA -0.185 4.121 4.320 -0.022 0.000 0.217 1194 A C 2.402 179.802 177.584 -0.307 0.000 1.186 1194 A CA 2.000 53.836 52.037 -0.335 0.000 0.624 1194 A CB -1.235 17.681 19.000 -0.140 0.000 0.822 1194 A HN 0.539 nan 8.150 nan 0.000 0.444 1195 L N -0.866 120.241 121.223 -0.193 0.000 2.017 1195 L HA -0.210 4.117 4.340 -0.022 0.000 0.208 1195 L C 3.156 179.897 176.870 -0.214 0.000 1.073 1195 L CA 1.048 55.789 54.840 -0.165 0.000 0.745 1195 L CB -0.611 41.374 42.059 -0.123 0.000 0.894 1195 L HN 0.463 nan 8.230 nan 0.000 0.432 1196 A N 0.398 123.072 122.820 -0.244 0.000 1.884 1196 A HA -0.248 4.059 4.320 -0.022 0.000 0.219 1196 A C 2.205 179.639 177.584 -0.250 0.000 1.197 1196 A CA 1.856 53.764 52.037 -0.215 0.000 0.637 1196 A CB -0.984 17.911 19.000 -0.175 0.000 0.827 1196 A HN 0.405 nan 8.150 nan 0.000 0.450 1197 L N -0.998 119.970 121.223 -0.424 0.000 2.189 1197 L HA -0.166 4.161 4.340 -0.022 0.000 0.214 1197 L C 1.882 178.520 176.870 -0.387 0.000 1.097 1197 L CA 0.890 55.404 54.840 -0.544 0.000 0.764 1197 L CB -0.435 41.014 42.059 -1.017 0.000 0.900 1197 L HN 0.382 nan 8.230 nan 0.000 0.436 1198 L N -0.979 120.080 121.223 -0.274 0.000 2.607 1198 L HA 0.240 4.567 4.340 -0.022 0.000 0.228 1198 L C 1.563 178.382 176.870 -0.086 0.000 1.123 1198 L CA 0.439 55.203 54.840 -0.128 0.000 0.890 1198 L CB -0.083 41.918 42.059 -0.097 0.000 1.103 1198 L HN 0.422 nan 8.230 nan 0.000 0.468 1199 G N 0.775 109.510 108.800 -0.107 0.000 2.184 1199 G HA2 -0.334 3.613 3.960 -0.022 0.000 0.264 1199 G HA3 -0.334 3.613 3.960 -0.022 0.000 0.264 1199 G C 0.771 175.624 174.900 -0.077 0.000 0.975 1199 G CA 0.260 45.313 45.100 -0.077 0.000 0.642 1199 G HN 0.409 nan 8.290 nan 0.000 0.536 1200 K N -0.383 119.962 120.400 -0.091 0.000 2.745 1200 K HA 0.361 4.668 4.320 -0.022 0.000 0.223 1200 K C 0.606 177.133 176.600 -0.123 0.000 1.057 1200 K CA -0.185 56.049 56.287 -0.088 0.000 1.217 1200 K CB 0.120 32.577 32.500 -0.073 0.000 0.993 1200 K HN 0.301 nan 8.250 nan 0.000 0.478 1201 L N 1.672 122.818 121.223 -0.128 0.000 2.828 1201 L HA 0.176 4.503 4.340 -0.022 0.000 0.233 1201 L C -0.917 175.891 176.870 -0.104 0.000 1.250 1201 L CA 0.026 54.772 54.840 -0.157 0.000 1.125 1201 L CB -0.036 41.917 42.059 -0.177 0.000 1.432 1201 L HN -0.026 nan 8.230 nan 0.000 0.444 1202 E N 0.457 120.598 120.200 -0.098 0.000 2.392 1202 E HA 0.776 5.112 4.350 -0.022 0.000 0.269 1202 E C 0.393 176.952 176.600 -0.068 0.000 0.924 1202 E CA -0.186 56.177 56.400 -0.062 0.000 0.784 1202 E CB 1.491 31.163 29.700 -0.047 0.000 1.292 1202 E HN 0.334 nan 8.360 nan 0.000 0.447 1203 G N 1.877 110.651 108.800 -0.042 0.000 2.569 1203 G HA2 -0.357 3.589 3.960 -0.022 0.000 0.259 1203 G HA3 -0.357 3.589 3.960 -0.022 0.000 0.259 1203 G C 0.452 175.323 174.900 -0.048 0.000 1.263 1203 G CA 0.519 45.595 45.100 -0.040 0.000 0.928 1203 G HN 0.558 nan 8.290 nan 0.000 0.572 1204 D N 0.027 120.399 120.400 -0.046 0.000 2.220 1204 D HA -0.091 4.535 4.640 -0.022 0.000 0.198 1204 D C 2.546 178.796 176.300 -0.085 0.000 1.001 1204 D CA 1.811 55.788 54.000 -0.038 0.000 0.875 1204 D CB -0.049 40.737 40.800 -0.022 0.000 0.921 1204 D HN 0.456 nan 8.370 nan 0.000 0.454 1205 R N -0.047 120.332 120.500 -0.202 0.000 2.062 1205 R HA -0.002 4.325 4.340 -0.022 0.000 0.231 1205 R C 2.243 178.390 176.300 -0.255 0.000 1.136 1205 R CA 0.535 56.341 56.100 -0.490 0.000 0.948 1205 R CB -0.563 29.357 30.300 -0.634 0.000 0.845 1205 R HN 0.170 nan 8.270 nan 0.000 0.430 1206 L N 0.701 121.858 121.223 -0.110 0.000 2.042 1206 L HA -0.190 4.136 4.340 -0.022 0.000 0.210 1206 L C 2.010 178.958 176.870 0.129 0.000 1.076 1206 L CA 2.576 57.452 54.840 0.060 0.000 0.749 1206 L CB -1.001 41.078 42.059 0.034 0.000 0.893 1206 L HN 0.374 nan 8.230 nan 0.000 0.432 1207 T N -1.580 113.007 114.554 0.055 0.000 3.023 1207 T HA -0.193 4.144 4.350 -0.022 0.000 0.266 1207 T C 1.903 176.651 174.700 0.079 0.000 1.093 1207 T CA 1.424 63.556 62.100 0.053 0.000 1.129 1207 T CB -0.004 68.878 68.868 0.022 0.000 0.899 1207 T HN 0.447 nan 8.240 nan 0.000 0.491 1208 K N -0.721 119.752 120.400 0.122 0.000 2.044 1208 K HA 0.009 4.316 4.320 -0.022 0.000 0.204 1208 K C 1.945 178.725 176.600 0.299 0.000 1.049 1208 K CA 1.047 57.454 56.287 0.199 0.000 0.945 1208 K CB -0.451 32.230 32.500 0.300 0.000 0.724 1208 K HN 0.329 nan 8.250 nan 0.000 0.440 1209 F N 2.241 122.324 119.950 0.222 0.000 2.065 1209 F HA -0.241 4.273 4.527 -0.022 0.000 0.298 1209 F C 1.562 177.614 175.800 0.419 0.000 1.112 1209 F CA 1.663 59.868 58.000 0.343 0.000 1.212 1209 F CB -0.618 38.504 39.000 0.203 0.000 0.975 1209 F HN -0.005 nan 8.300 nan 0.000 0.476 1210 L N 0.253 121.442 121.223 -0.057 0.000 2.046 1210 L HA -0.258 4.069 4.340 -0.022 0.000 0.208 1210 L C 2.084 178.829 176.870 -0.208 0.000 1.077 1210 L CA 1.508 56.222 54.840 -0.209 0.000 0.747 1210 L CB -0.933 41.075 42.059 -0.085 0.000 0.896 1210 L HN 0.189 nan 8.230 nan 0.000 0.432 1211 N N -0.810 117.836 118.700 -0.089 0.000 2.550 1211 N HA -0.092 4.635 4.740 -0.022 0.000 0.186 1211 N C 1.586 177.007 175.510 -0.148 0.000 1.110 1211 N CA 0.958 53.943 53.050 -0.108 0.000 0.912 1211 N CB -0.056 38.409 38.487 -0.037 0.000 0.968 1211 N HN 0.281 nan 8.380 nan 0.000 0.448 1212 T N -0.004 114.464 114.554 -0.143 0.000 3.067 1212 T HA 0.166 4.503 4.350 -0.022 0.000 0.257 1212 T C 0.793 175.170 174.700 -0.538 0.000 1.105 1212 T CA -0.032 61.971 62.100 -0.161 0.000 1.104 1212 T CB 0.093 69.035 68.868 0.125 0.000 0.925 1212 T HN 0.200 nan 8.240 nan 0.000 0.498 1213 A N 2.786 125.029 122.820 -0.961 0.000 2.410 1213 A HA 0.311 4.618 4.320 -0.022 0.000 0.292 1213 A C 0.261 177.381 177.584 -0.774 0.000 1.232 1213 A CA -0.362 50.803 52.037 -1.453 0.000 0.893 1213 A CB 0.097 17.823 19.000 -2.123 0.000 1.131 1213 A HN 0.014 nan 8.150 nan 0.000 0.530 1214 K N 2.832 122.876 120.400 -0.593 0.000 2.412 1214 K HA 0.083 4.390 4.320 -0.022 0.000 0.284 1214 K C 0.285 176.668 176.600 -0.361 0.000 1.046 1214 K CA 0.284 56.350 56.287 -0.368 0.000 0.999 1214 K CB 0.303 32.653 32.500 -0.249 0.000 0.941 1214 K HN 0.801 nan 8.250 nan 0.000 0.474 1215 E N 2.484 122.526 120.200 -0.264 0.000 3.413 1215 E HA -0.248 4.089 4.350 -0.022 0.000 0.300 1215 E C -0.255 176.211 176.600 -0.224 0.000 0.891 1215 E CA 0.773 57.052 56.400 -0.201 0.000 1.050 1215 E CB -1.087 28.519 29.700 -0.157 0.000 1.534 1215 E HN 0.820 nan 8.360 nan 0.000 0.436 1216 K N -1.553 118.662 120.400 -0.308 0.000 3.529 1216 K HA -0.305 4.001 4.320 -0.022 0.000 0.313 1216 K C 0.803 177.240 176.600 -0.273 0.000 1.316 1216 K CA 1.846 57.961 56.287 -0.287 0.000 0.988 1216 K CB -1.667 30.737 32.500 -0.159 0.000 1.252 1216 K HN 0.686 nan 8.250 nan 0.000 0.438 1217 N N -0.258 118.247 118.700 -0.325 0.000 2.166 1217 N HA 0.010 4.737 4.740 -0.022 0.000 0.213 1217 N C 0.239 175.517 175.510 -0.387 0.000 1.222 1217 N CA -0.629 52.273 53.050 -0.248 0.000 0.900 1217 N CB 0.571 38.972 38.487 -0.145 0.000 1.055 1217 N HN 0.150 nan 8.380 nan 0.000 0.515 1218 R N -0.465 119.653 120.500 -0.636 0.000 2.747 1218 R HA 0.201 4.528 4.340 -0.022 0.000 0.272 1218 R C -1.929 174.067 176.300 -0.507 0.000 1.032 1218 R CA -0.737 54.979 56.100 -0.641 0.000 0.896 1218 R CB 0.453 29.700 30.300 -1.754 0.000 1.253 1218 R HN 0.094 nan 8.270 nan 0.000 0.461 1219 W N 1.855 122.950 121.300 -0.342 0.000 2.485 1219 W HA 0.289 4.936 4.660 -0.022 0.000 0.297 1219 W C -0.421 176.077 176.519 -0.035 0.000 0.999 1219 W CA -0.383 56.888 57.345 -0.124 0.000 1.512 1219 W CB 1.487 30.945 29.460 -0.005 0.000 1.322 1219 W HN 0.687 nan 8.180 nan 0.000 0.419 1220 E N 1.077 121.323 120.200 0.077 0.000 2.336 1220 E HA 0.597 4.934 4.350 -0.022 0.000 0.267 1220 E C -1.409 175.279 176.600 0.147 0.000 0.906 1220 E CA -0.794 55.711 56.400 0.175 0.000 0.781 1220 E CB 3.141 32.956 29.700 0.192 0.000 1.261 1220 E HN 0.265 nan 8.360 nan 0.000 0.436 1221 E N 2.089 122.403 120.200 0.191 0.000 2.256 1221 E HA 0.356 4.693 4.350 -0.022 0.000 0.268 1221 E C -2.543 174.146 176.600 0.149 0.000 0.877 1221 E CA -2.841 53.647 56.400 0.147 0.000 0.757 1221 E CB 1.753 31.546 29.700 0.154 0.000 1.183 1221 E HN 0.300 nan 8.360 nan 0.000 0.418 1222 P HA -0.135 nan 4.420 nan 0.000 0.261 1222 P C -0.871 176.493 177.300 0.107 0.000 1.165 1222 P CA 0.837 63.995 63.100 0.098 0.000 0.759 1222 P CB 0.131 31.871 31.700 0.067 0.000 0.772 1223 N N 2.763 121.525 118.700 0.103 0.000 2.607 1223 N HA -0.239 4.488 4.740 -0.022 0.000 0.285 1223 N C -0.366 175.231 175.510 0.145 0.000 1.151 1223 N CA 0.217 53.324 53.050 0.096 0.000 0.749 1223 N CB -0.337 38.191 38.487 0.069 0.000 0.923 1223 N HN 0.455 nan 8.380 nan 0.000 0.552 1224 Q N 0.318 120.232 119.800 0.189 0.000 1.888 1224 Q HA 0.031 4.357 4.340 -0.022 0.000 0.197 1224 Q C 0.704 176.886 176.000 0.303 0.000 0.822 1224 Q CA -0.339 55.645 55.803 0.303 0.000 0.909 1224 Q CB 0.288 29.224 28.738 0.330 0.000 1.268 1224 Q HN 0.472 nan 8.270 nan 0.000 0.388 1225 K N 0.683 121.188 120.400 0.173 0.000 2.303 1225 K HA -0.251 4.056 4.320 -0.022 0.000 0.223 1225 K C 1.710 178.478 176.600 0.281 0.000 0.745 1225 K CA 2.135 58.506 56.287 0.141 0.000 0.940 1225 K CB -0.680 31.719 32.500 -0.167 0.000 0.518 1225 K HN 0.189 nan 8.250 nan 0.000 0.861 1226 L N -0.233 121.099 121.223 0.182 0.000 2.189 1226 L HA -0.224 4.103 4.340 -0.022 0.000 0.214 1226 L C 2.563 179.547 176.870 0.190 0.000 1.097 1226 L CA 1.237 56.172 54.840 0.159 0.000 0.764 1226 L CB -0.518 41.510 42.059 -0.053 0.000 0.900 1226 L HN 0.299 nan 8.230 nan 0.000 0.436 1227 Y N -0.162 120.337 120.300 0.332 0.000 2.314 1227 Y HA -0.133 4.404 4.550 -0.022 0.000 0.293 1227 Y C 2.520 178.716 175.900 0.494 0.000 1.129 1227 Y CA 0.759 59.118 58.100 0.431 0.000 1.201 1227 Y CB -0.509 38.145 38.460 0.323 0.000 0.999 1227 Y HN 0.266 nan 8.280 nan 0.000 0.541 1228 N N -0.351 118.688 118.700 0.566 0.000 2.216 1228 N HA -0.117 4.609 4.740 -0.022 0.000 0.183 1228 N C 2.006 177.837 175.510 0.536 0.000 1.017 1228 N CA 1.240 54.614 53.050 0.540 0.000 0.861 1228 N CB -0.562 38.272 38.487 0.579 0.000 0.986 1228 N HN 0.182 nan 8.380 nan 0.000 0.428 1229 V N 2.154 122.356 119.914 0.480 0.000 2.343 1229 V HA -0.211 3.895 4.120 -0.022 0.000 0.247 1229 V C 2.118 178.347 176.094 0.225 0.000 1.051 1229 V CA 1.595 64.109 62.300 0.356 0.000 1.036 1229 V CB -0.511 31.455 31.823 0.239 0.000 0.654 1229 V HN 0.334 nan 8.190 nan 0.000 0.451 1230 E N 0.634 120.979 120.200 0.242 0.000 2.031 1230 E HA -0.187 4.150 4.350 -0.022 0.000 0.193 1230 E C 2.399 179.070 176.600 0.118 0.000 0.994 1230 E CA 1.297 57.785 56.400 0.147 0.000 0.800 1230 E CB -0.435 29.486 29.700 0.368 0.000 0.752 1230 E HN 0.574 nan 8.360 nan 0.000 0.447 1231 A N 1.411 124.286 122.820 0.092 0.000 1.859 1231 A HA -0.258 4.049 4.320 -0.022 0.000 0.217 1231 A C 2.493 180.115 177.584 0.063 0.000 1.198 1231 A CA 2.488 54.512 52.037 -0.022 0.000 0.629 1231 A CB -1.338 17.711 19.000 0.082 0.000 0.830 1231 A HN 0.230 nan 8.150 nan 0.000 0.446 1232 T N 0.122 114.796 114.554 0.201 0.000 2.699 1232 T HA -0.152 4.185 4.350 -0.022 0.000 0.268 1232 T C 2.245 176.963 174.700 0.030 0.000 1.036 1232 T CA 1.761 63.979 62.100 0.195 0.000 1.147 1232 T CB -0.431 68.687 68.868 0.416 0.000 0.862 1232 T HN 0.492 nan 8.240 nan 0.000 0.446 1233 S N 0.294 115.999 115.700 0.008 0.000 2.359 1233 S HA -0.121 4.335 4.470 -0.022 0.000 0.224 1233 S C 1.774 176.203 174.600 -0.285 0.000 1.035 1233 S CA 1.277 59.385 58.200 -0.154 0.000 1.018 1233 S CB -0.576 62.472 63.200 -0.253 0.000 0.876 1233 S HN 0.583 nan 8.310 nan 0.000 0.448 1234 Y N 1.596 121.734 120.300 -0.271 0.000 2.207 1234 Y HA -0.196 4.341 4.550 -0.022 0.000 0.287 1234 Y C 2.627 178.287 175.900 -0.399 0.000 1.156 1234 Y CA 0.851 58.722 58.100 -0.381 0.000 1.182 1234 Y CB -0.525 37.754 38.460 -0.302 0.000 0.979 1234 Y HN 0.288 nan 8.280 nan 0.000 0.521 1235 A N -0.163 122.500 122.820 -0.262 0.000 1.877 1235 A HA -0.207 4.100 4.320 -0.022 0.000 0.216 1235 A C 2.108 179.583 177.584 -0.182 0.000 1.186 1235 A CA 1.678 53.484 52.037 -0.385 0.000 0.620 1235 A CB -1.064 17.235 19.000 -1.168 0.000 0.822 1235 A HN 0.417 nan 8.150 nan 0.000 0.443 1236 L N -0.234 120.894 121.223 -0.158 0.000 2.127 1236 L HA -0.095 4.232 4.340 -0.022 0.000 0.211 1236 L C 2.139 178.961 176.870 -0.081 0.000 1.089 1236 L CA 1.529 56.330 54.840 -0.065 0.000 0.757 1236 L CB -0.576 41.455 42.059 -0.046 0.000 0.899 1236 L HN 0.413 nan 8.230 nan 0.000 0.434 1237 L N -1.105 119.989 121.223 -0.214 0.000 2.109 1237 L HA -0.084 4.243 4.340 -0.022 0.000 0.207 1237 L C 2.625 179.475 176.870 -0.032 0.000 1.086 1237 L CA 0.952 55.627 54.840 -0.275 0.000 0.760 1237 L CB -0.831 40.693 42.059 -0.891 0.000 0.910 1237 L HN 0.329 nan 8.230 nan 0.000 0.437 1238 A N 0.295 123.097 122.820 -0.029 0.000 1.877 1238 A HA -0.154 4.153 4.320 -0.022 0.000 0.216 1238 A C 2.244 179.810 177.584 -0.030 0.000 1.186 1238 A CA 1.341 53.374 52.037 -0.007 0.000 0.620 1238 A CB -0.675 18.095 19.000 -0.382 0.000 0.822 1238 A HN 0.318 nan 8.150 nan 0.000 0.443 1239 L N -0.689 120.550 121.223 0.026 0.000 2.017 1239 L HA -0.197 4.129 4.340 -0.022 0.000 0.208 1239 L C 2.614 179.468 176.870 -0.028 0.000 1.073 1239 L CA 1.268 56.148 54.840 0.068 0.000 0.745 1239 L CB -0.616 41.519 42.059 0.127 0.000 0.894 1239 L HN 0.368 nan 8.230 nan 0.000 0.432 1240 L N -0.339 120.883 121.223 -0.002 0.000 2.046 1240 L HA -0.199 4.127 4.340 -0.022 0.000 0.208 1240 L C 2.839 179.696 176.870 -0.021 0.000 1.077 1240 L CA 1.117 55.950 54.840 -0.012 0.000 0.747 1240 L CB -0.762 41.369 42.059 0.120 0.000 0.896 1240 L HN 0.252 nan 8.230 nan 0.000 0.432 1241 A N -0.353 122.487 122.820 0.033 0.000 2.076 1241 A HA -0.200 4.106 4.320 -0.022 0.000 0.220 1241 A C 2.231 179.797 177.584 -0.030 0.000 1.160 1241 A CA 1.401 53.458 52.037 0.033 0.000 0.653 1241 A CB -0.467 18.567 19.000 0.057 0.000 0.801 1241 A HN 0.348 nan 8.150 nan 0.000 0.455 1242 R N -0.616 119.842 120.500 -0.069 0.000 2.515 1242 R HA 0.070 4.397 4.340 -0.022 0.000 0.294 1242 R C -0.300 175.894 176.300 -0.177 0.000 1.021 1242 R CA -0.192 55.854 56.100 -0.090 0.000 1.081 1242 R CB 0.171 30.435 30.300 -0.061 0.000 1.263 1242 R HN 0.260 nan 8.270 nan 0.000 0.557 1243 K N 0.658 120.879 120.400 -0.299 0.000 3.071 1243 K HA -0.208 4.098 4.320 -0.022 0.000 0.262 1243 K C -0.601 175.532 176.600 -0.779 0.000 0.977 1243 K CA 0.764 56.645 56.287 -0.676 0.000 0.721 1243 K CB -1.253 31.137 32.500 -0.183 0.000 1.293 1243 K HN 0.264 nan 8.250 nan 0.000 0.475 1244 D N 0.025 120.074 120.400 -0.585 0.000 3.072 1244 D HA 0.095 4.722 4.640 -0.022 0.000 0.250 1244 D C 1.019 177.198 176.300 -0.201 0.000 1.304 1244 D CA -0.364 53.469 54.000 -0.279 0.000 0.861 1244 D CB -0.103 40.645 40.800 -0.086 0.000 1.062 1244 D HN 0.184 nan 8.370 nan 0.000 0.481 1245 Y N 0.341 120.699 120.300 0.097 0.000 2.228 1245 Y HA -0.231 4.305 4.550 -0.022 0.000 0.285 1245 Y C 1.792 177.764 175.900 0.120 0.000 1.178 1245 Y CA 1.165 59.343 58.100 0.128 0.000 1.202 1245 Y CB -0.543 37.970 38.460 0.087 0.000 0.974 1245 Y HN 0.181 nan 8.280 nan 0.000 0.527 1246 D N -1.181 119.331 120.400 0.186 0.000 2.183 1246 D HA -0.107 4.519 4.640 -0.022 0.000 0.203 1246 D C 1.773 178.124 176.300 0.084 0.000 0.969 1246 D CA 1.716 55.790 54.000 0.124 0.000 0.842 1246 D CB -0.333 40.520 40.800 0.088 0.000 0.957 1246 D HN 0.263 nan 8.370 nan 0.000 0.484 1247 T N -0.861 113.735 114.554 0.070 0.000 3.118 1247 T HA -0.055 4.282 4.350 -0.022 0.000 0.260 1247 T C 1.928 176.663 174.700 0.059 0.000 1.139 1247 T CA 1.279 63.411 62.100 0.054 0.000 1.085 1247 T CB -0.151 68.751 68.868 0.057 0.000 0.934 1247 T HN 0.340 nan 8.240 nan 0.000 0.518 1248 T N -1.260 113.334 114.554 0.065 0.000 3.015 1248 T HA 0.170 4.507 4.350 -0.022 0.000 0.250 1248 T C -1.027 173.611 174.700 -0.103 0.000 1.057 1248 T CA -0.144 61.965 62.100 0.016 0.000 1.066 1248 T CB -0.922 67.971 68.868 0.042 0.000 0.959 1248 T HN 0.146 nan 8.240 nan 0.000 0.488 1249 P HA -0.092 nan 4.420 nan 0.000 0.217 1249 P C -1.534 175.693 177.300 -0.122 0.000 1.158 1249 P CA 1.897 64.901 63.100 -0.160 0.000 0.887 1249 P CB -1.116 30.535 31.700 -0.083 0.000 0.792 1250 P HA -0.115 nan 4.420 nan 0.000 0.216 1250 P C 1.526 178.865 177.300 0.064 0.000 1.153 1250 P CA 1.149 64.256 63.100 0.011 0.000 0.848 1250 P CB -0.496 31.208 31.700 0.006 0.000 0.787 1251 V N -0.416 119.531 119.914 0.055 0.000 2.287 1251 V HA -0.220 3.886 4.120 -0.022 0.000 0.248 1251 V C 2.454 178.624 176.094 0.127 0.000 1.053 1251 V CA 1.830 64.210 62.300 0.133 0.000 1.027 1251 V CB -1.455 30.451 31.823 0.139 0.000 0.646 1251 V HN -0.030 nan 8.190 nan 0.000 0.447 1252 V N 0.043 119.928 119.914 -0.048 0.000 2.287 1252 V HA -0.306 3.801 4.120 -0.022 0.000 0.248 1252 V C 2.643 178.748 176.094 0.020 0.000 1.053 1252 V CA 2.387 64.623 62.300 -0.108 0.000 1.027 1252 V CB -0.806 30.762 31.823 -0.426 0.000 0.646 1252 V HN 0.472 nan 8.190 nan 0.000 0.447 1253 R N -1.483 119.041 120.500 0.040 0.000 2.083 1253 R HA -0.232 4.095 4.340 -0.022 0.000 0.237 1253 R C 2.052 178.445 176.300 0.155 0.000 1.137 1253 R CA 2.260 58.414 56.100 0.090 0.000 0.951 1253 R CB -0.545 29.817 30.300 0.103 0.000 0.851 1253 R HN 0.645 nan 8.270 nan 0.000 0.434 1254 W N 1.439 122.752 121.300 0.021 0.000 2.322 1254 W HA -0.215 4.432 4.660 -0.022 0.000 0.326 1254 W C 1.827 178.376 176.519 0.050 0.000 1.224 1254 W CA 1.542 58.912 57.345 0.042 0.000 1.257 1254 W CB -0.753 28.745 29.460 0.063 0.000 1.174 1254 W HN -0.016 nan 8.180 nan 0.000 0.460 1255 L N 0.865 122.309 121.223 0.369 0.000 2.054 1255 L HA -0.425 3.902 4.340 -0.022 0.000 0.220 1255 L C 2.587 179.472 176.870 0.024 0.000 1.081 1255 L CA 2.224 57.153 54.840 0.148 0.000 0.780 1255 L CB -1.155 41.012 42.059 0.180 0.000 0.893 1255 L HN 0.304 nan 8.230 nan 0.000 0.438 1256 N N 0.123 118.851 118.700 0.047 0.000 2.348 1256 N HA -0.210 4.517 4.740 -0.022 0.000 0.185 1256 N C 0.984 176.459 175.510 -0.058 0.000 1.019 1256 N CA 1.483 54.556 53.050 0.038 0.000 0.880 1256 N CB 0.177 38.686 38.487 0.035 0.000 0.965 1256 N HN 0.621 nan 8.380 nan 0.000 0.437 1257 E N -0.698 119.397 120.200 -0.175 0.000 2.548 1257 E HA 0.066 4.402 4.350 -0.022 0.000 0.206 1257 E C -0.138 176.172 176.600 -0.483 0.000 1.005 1257 E CA -0.196 56.039 56.400 -0.276 0.000 0.951 1257 E CB 0.194 29.768 29.700 -0.209 0.000 1.035 1257 E HN 0.323 nan 8.360 nan 0.000 0.470 1258 Q N 1.742 121.195 119.800 -0.579 0.000 2.579 1258 Q HA 0.208 4.534 4.340 -0.022 0.000 0.344 1258 Q C -0.318 174.967 176.000 -1.192 0.000 0.997 1258 Q CA -0.000 55.193 55.803 -1.016 0.000 0.991 1258 Q CB -0.013 28.176 28.738 -0.915 0.000 1.279 1258 Q HN 0.222 nan 8.270 nan 0.000 0.420 1259 R N 0.936 120.850 120.500 -0.975 0.000 3.570 1259 R HA 0.173 4.499 4.340 -0.022 0.000 0.233 1259 R C -0.117 175.825 176.300 -0.596 0.000 1.492 1259 R CA -0.174 55.397 56.100 -0.881 0.000 1.504 1259 R CB -0.191 29.669 30.300 -0.734 0.000 1.314 1259 R HN 0.308 nan 8.270 nan 0.000 0.687 1260 Y N -0.971 119.111 120.300 -0.364 0.000 2.490 1260 Y HA 0.103 4.639 4.550 -0.022 0.000 0.281 1260 Y C -0.014 175.409 175.900 -0.795 0.000 1.174 1260 Y CA -0.562 57.195 58.100 -0.571 0.000 1.295 1260 Y CB -0.115 37.928 38.460 -0.695 0.000 1.062 1260 Y HN 0.222 nan 8.280 nan 0.000 0.522 1261 Y N 0.454 120.741 120.300 -0.021 0.000 2.721 1261 Y HA 0.566 5.103 4.550 -0.022 0.000 0.328 1261 Y C 1.126 176.968 175.900 -0.097 0.000 1.003 1261 Y CA -1.201 56.864 58.100 -0.058 0.000 1.275 1261 Y CB 1.223 39.640 38.460 -0.072 0.000 1.097 1261 Y HN 0.265 nan 8.280 nan 0.000 0.514 1262 G N 1.147 109.933 108.800 -0.023 0.000 2.168 1262 G HA2 -0.101 3.846 3.960 -0.022 0.000 0.257 1262 G HA3 -0.101 3.846 3.960 -0.022 0.000 0.257 1262 G C 1.032 175.894 174.900 -0.064 0.000 0.997 1262 G CA 0.374 45.455 45.100 -0.031 0.000 0.708 1262 G HN 1.648 nan 8.290 nan 0.000 0.520 1263 G N -2.476 106.254 108.800 -0.116 0.000 2.159 1263 G HA2 0.300 4.246 3.960 -0.022 0.000 0.227 1263 G HA3 0.300 4.246 3.960 -0.022 0.000 0.227 1263 G C 1.170 175.924 174.900 -0.243 0.000 0.986 1263 G CA 0.890 45.891 45.100 -0.165 0.000 0.651 1263 G HN 2.177 nan 8.290 nan 0.000 0.523 1264 G N -1.781 106.886 108.800 -0.222 0.000 3.042 1264 G HA2 0.577 4.524 3.960 -0.022 0.000 0.278 1264 G HA3 0.577 4.524 3.960 -0.022 0.000 0.278 1264 G C 0.101 174.798 174.900 -0.338 0.000 1.371 1264 G CA -0.679 44.239 45.100 -0.303 0.000 1.009 1264 G HN 0.197 nan 8.290 nan 0.000 0.523 1265 Y N 0.732 121.038 120.300 0.010 0.000 2.477 1265 Y HA 0.189 4.726 4.550 -0.022 0.000 0.303 1265 Y C 2.350 178.271 175.900 0.035 0.000 1.202 1265 Y CA 0.690 58.820 58.100 0.050 0.000 1.282 1265 Y CB 0.261 38.712 38.460 -0.015 0.000 1.071 1265 Y HN 0.883 nan 8.280 nan 0.000 0.510 1266 G N -0.058 108.788 108.800 0.077 0.000 3.403 1266 G HA2 -0.427 3.520 3.960 -0.022 0.000 0.226 1266 G HA3 -0.427 3.520 3.960 -0.022 0.000 0.226 1266 G C 0.849 175.541 174.900 -0.346 0.000 1.312 1266 G CA 1.010 45.989 45.100 -0.202 0.000 1.060 1266 G HN 0.464 nan 8.290 nan 0.000 0.574 1267 S N -1.069 114.428 115.700 -0.337 0.000 2.766 1267 S HA 0.644 5.100 4.470 -0.022 0.000 0.307 1267 S C 1.834 176.287 174.600 -0.245 0.000 1.121 1267 S CA 0.988 58.975 58.200 -0.354 0.000 0.980 1267 S CB 1.362 64.320 63.200 -0.404 0.000 1.159 1267 S HN 1.271 nan 8.310 nan 0.000 0.546 1268 T N 0.361 114.804 114.554 -0.185 0.000 2.623 1268 T HA -0.081 4.256 4.350 -0.022 0.000 0.254 1268 T C 1.651 176.051 174.700 -0.501 0.000 1.075 1268 T CA 0.942 62.785 62.100 -0.429 0.000 1.177 1268 T CB -0.970 67.918 68.868 0.033 0.000 0.869 1268 T HN 0.557 nan 8.240 nan 0.000 0.403 1269 Q N 1.369 121.235 119.800 0.109 0.000 2.133 1269 Q HA -0.110 4.217 4.340 -0.022 0.000 0.208 1269 Q C 2.762 178.809 176.000 0.078 0.000 0.991 1269 Q CA 2.047 57.959 55.803 0.182 0.000 0.867 1269 Q CB -1.051 27.887 28.738 0.333 0.000 0.911 1269 Q HN 0.756 nan 8.270 nan 0.000 0.417 1270 A N 0.352 123.207 122.820 0.057 0.000 1.841 1270 A HA -0.194 4.112 4.320 -0.022 0.000 0.216 1270 A C 2.387 179.917 177.584 -0.089 0.000 1.199 1270 A CA 2.279 54.327 52.037 0.018 0.000 0.621 1270 A CB -1.155 17.883 19.000 0.062 0.000 0.835 1270 A HN 0.405 nan 8.150 nan 0.000 0.445 1271 T N -0.366 114.130 114.554 -0.097 0.000 2.759 1271 T HA -0.130 4.207 4.350 -0.022 0.000 0.269 1271 T C 1.511 176.270 174.700 0.098 0.000 1.042 1271 T CA 1.721 63.798 62.100 -0.039 0.000 1.140 1271 T CB -0.431 68.414 68.868 -0.038 0.000 0.864 1271 T HN 0.375 nan 8.240 nan 0.000 0.455 1272 F N 0.441 120.463 119.950 0.120 0.000 2.206 1272 F HA 0.114 4.627 4.527 -0.022 0.000 0.298 1272 F C 2.295 178.085 175.800 -0.018 0.000 1.090 1272 F CA 0.230 58.288 58.000 0.098 0.000 1.323 1272 F CB -0.843 38.233 39.000 0.127 0.000 1.028 1272 F HN 0.107 nan 8.300 nan 0.000 0.492 1273 M N -0.262 119.393 119.600 0.091 0.000 2.074 1273 M HA -0.122 4.344 4.480 -0.022 0.000 0.259 1273 M C 2.669 178.870 176.300 -0.165 0.000 1.079 1273 M CA 1.245 56.473 55.300 -0.120 0.000 1.119 1273 M CB -1.420 31.045 32.600 -0.224 0.000 1.297 1273 M HN 0.088 nan 8.290 nan 0.000 0.416 1274 V N 0.631 120.415 119.914 -0.217 0.000 2.317 1274 V HA -0.322 3.785 4.120 -0.022 0.000 0.251 1274 V C 2.241 178.274 176.094 -0.101 0.000 1.065 1274 V CA 2.122 64.255 62.300 -0.280 0.000 1.049 1274 V CB -0.716 30.675 31.823 -0.720 0.000 0.651 1274 V HN 0.478 nan 8.190 nan 0.000 0.450 1275 F N 0.181 120.004 119.950 -0.213 0.000 2.075 1275 F HA -0.249 4.265 4.527 -0.022 0.000 0.297 1275 F C 2.587 178.338 175.800 -0.082 0.000 1.113 1275 F CA 2.082 60.027 58.000 -0.091 0.000 1.218 1275 F CB -0.138 38.869 39.000 0.012 0.000 0.984 1275 F HN 0.289 nan 8.300 nan 0.000 0.472 1276 Q N 0.845 120.577 119.800 -0.113 0.000 2.002 1276 Q HA -0.263 4.064 4.340 -0.022 0.000 0.204 1276 Q C 2.359 178.291 176.000 -0.113 0.000 0.988 1276 Q CA 1.858 57.524 55.803 -0.227 0.000 0.843 1276 Q CB -0.479 28.131 28.738 -0.214 0.000 0.908 1276 Q HN 0.523 nan 8.270 nan 0.000 0.420 1277 A N 1.107 123.851 122.820 -0.126 0.000 1.884 1277 A HA -0.239 4.067 4.320 -0.022 0.000 0.219 1277 A C 2.163 179.753 177.584 0.011 0.000 1.197 1277 A CA 1.724 53.701 52.037 -0.100 0.000 0.637 1277 A CB -1.061 17.846 19.000 -0.156 0.000 0.827 1277 A HN 0.512 nan 8.150 nan 0.000 0.450 1278 L N -1.036 120.211 121.223 0.039 0.000 2.013 1278 L HA -0.269 4.058 4.340 -0.022 0.000 0.212 1278 L C 3.144 180.086 176.870 0.120 0.000 1.073 1278 L CA 1.337 56.236 54.840 0.099 0.000 0.753 1278 L CB -0.504 41.616 42.059 0.101 0.000 0.890 1278 L HN 0.488 nan 8.230 nan 0.000 0.432 1279 A N -1.239 121.623 122.820 0.069 0.000 1.908 1279 A HA -0.250 4.056 4.320 -0.022 0.000 0.218 1279 A C 2.109 179.720 177.584 0.046 0.000 1.181 1279 A CA 1.418 53.413 52.037 -0.069 0.000 0.627 1279 A CB -0.476 18.436 19.000 -0.146 0.000 0.818 1279 A HN 0.470 nan 8.150 nan 0.000 0.445 1280 Q N -2.162 117.680 119.800 0.071 0.000 2.515 1280 Q HA -0.093 4.234 4.340 -0.022 0.000 0.212 1280 Q C 1.369 177.476 176.000 0.179 0.000 0.970 1280 Q CA 0.659 56.532 55.803 0.117 0.000 0.941 1280 Q CB -0.051 28.733 28.738 0.076 0.000 0.998 1280 Q HN 0.890 nan 8.270 nan 0.000 0.518 1281 Y N 0.715 121.062 120.300 0.078 0.000 2.230 1281 Y HA -0.106 4.431 4.550 -0.022 0.000 0.294 1281 Y C 1.897 177.853 175.900 0.094 0.000 1.120 1281 Y CA 1.335 59.492 58.100 0.094 0.000 1.129 1281 Y CB 0.150 38.655 38.460 0.076 0.000 1.040 1281 Y HN -0.022 nan 8.280 nan 0.000 0.519 1282 Q N 0.780 120.600 119.800 0.034 0.000 2.167 1282 Q HA -0.119 4.208 4.340 -0.022 0.000 0.202 1282 Q C 2.202 178.278 176.000 0.126 0.000 0.970 1282 Q CA 1.577 57.386 55.803 0.010 0.000 0.855 1282 Q CB -0.212 28.725 28.738 0.332 0.000 0.911 1282 Q HN 0.381 nan 8.270 nan 0.000 0.438 1283 K N 0.704 121.249 120.400 0.242 0.000 2.034 1283 K HA -0.209 4.098 4.320 -0.022 0.000 0.214 1283 K C 0.327 176.978 176.600 0.085 0.000 1.051 1283 K CA 1.836 58.279 56.287 0.259 0.000 0.931 1283 K CB -0.007 32.643 32.500 0.249 0.000 0.715 1283 K HN 0.402 nan 8.250 nan 0.000 0.446 1284 D N -1.439 118.961 120.400 -0.001 0.000 2.538 1284 D HA 0.069 4.696 4.640 -0.022 0.000 0.231 1284 D C -0.478 175.641 176.300 -0.301 0.000 1.229 1284 D CA -0.287 53.657 54.000 -0.094 0.000 0.828 1284 D CB 1.006 41.809 40.800 0.004 0.000 1.035 1284 D HN -0.071 nan 8.370 nan 0.000 0.495 1285 V N 0.421 120.094 119.914 -0.401 0.000 2.637 1285 V HA 0.313 4.419 4.120 -0.022 0.000 0.296 1285 V C -2.542 173.235 176.094 -0.529 0.000 1.118 1285 V CA -1.329 60.636 62.300 -0.558 0.000 1.230 1285 V CB 0.707 32.027 31.823 -0.840 0.000 1.360 1285 V HN -0.008 nan 8.190 nan 0.000 0.620 1286 P HA 0.159 nan 4.420 nan 0.000 0.264 1286 P C -0.085 176.895 177.300 -0.533 0.000 1.183 1286 P CA 0.684 63.435 63.100 -0.582 0.000 0.763 1286 P CB 0.425 31.881 31.700 -0.407 0.000 0.807 1287 D N 0.966 120.965 120.400 -0.667 0.000 2.740 1287 D HA 0.019 4.645 4.640 -0.022 0.000 0.305 1287 D C 0.801 176.898 176.300 -0.337 0.000 1.583 1287 D CA -0.102 53.672 54.000 -0.376 0.000 0.790 1287 D CB 0.025 40.694 40.800 -0.218 0.000 1.187 1287 D HN 0.448 nan 8.370 nan 0.000 0.447 1288 H N 2.175 121.060 119.070 -0.309 0.000 2.276 1288 H HA -0.090 4.453 4.556 -0.022 0.000 0.301 1288 H C 2.347 177.391 175.328 -0.475 0.000 1.073 1288 H CA 1.146 56.943 56.048 -0.420 0.000 1.311 1288 H CB 0.103 29.308 29.762 -0.929 0.000 1.379 1288 H HN 0.181 nan 8.280 nan 0.000 0.494 1289 K N 1.630 121.639 120.400 -0.651 0.000 2.034 1289 K HA -0.195 4.112 4.320 -0.022 0.000 0.214 1289 K C 1.517 178.073 176.600 -0.073 0.000 1.051 1289 K CA 1.752 57.772 56.287 -0.444 0.000 0.931 1289 K CB -0.709 31.581 32.500 -0.349 0.000 0.715 1289 K HN 0.504 nan 8.250 nan 0.000 0.446 1290 E N 1.645 121.792 120.200 -0.088 0.000 2.396 1290 E HA -0.142 4.195 4.350 -0.022 0.000 0.200 1290 E C 0.912 177.534 176.600 0.037 0.000 1.023 1290 E CA 0.058 56.448 56.400 -0.017 0.000 0.857 1290 E CB -0.775 28.902 29.700 -0.039 0.000 0.775 1290 E HN 0.270 nan 8.360 nan 0.000 0.525 1291 L N 2.429 123.693 121.223 0.068 0.000 2.584 1291 L HA 0.063 4.389 4.340 -0.022 0.000 0.272 1291 L C -0.584 176.363 176.870 0.128 0.000 1.195 1291 L CA 0.742 55.652 54.840 0.117 0.000 0.920 1291 L CB -0.240 41.930 42.059 0.185 0.000 1.173 1291 L HN 0.080 nan 8.230 nan 0.000 0.489 1292 N N 4.368 123.127 118.700 0.098 0.000 3.112 1292 N HA 0.318 5.045 4.740 -0.022 0.000 0.231 1292 N C -1.987 173.567 175.510 0.073 0.000 1.385 1292 N CA -0.341 52.761 53.050 0.087 0.000 0.790 1292 N CB 0.276 38.808 38.487 0.075 0.000 1.563 1292 N HN 0.560 nan 8.380 nan 0.000 0.613 1293 L N 1.012 122.280 121.223 0.075 0.000 2.325 1293 L HA 0.560 4.887 4.340 -0.022 0.000 0.278 1293 L C -0.398 176.512 176.870 0.066 0.000 1.023 1293 L CA -0.837 54.044 54.840 0.069 0.000 0.811 1293 L CB 1.615 43.717 42.059 0.071 0.000 1.249 1293 L HN 0.412 nan 8.230 nan 0.000 0.431 1294 D N 2.335 122.771 120.400 0.060 0.000 2.438 1294 D HA 0.322 4.949 4.640 -0.022 0.000 0.257 1294 D C -0.807 175.531 176.300 0.063 0.000 1.148 1294 D CA -0.182 53.853 54.000 0.059 0.000 0.902 1294 D CB 1.519 42.346 40.800 0.046 0.000 1.062 1294 D HN 0.023 nan 8.370 nan 0.000 0.518 1295 V N 1.673 121.635 119.914 0.079 0.000 2.644 1295 V HA 0.543 4.649 4.120 -0.022 0.000 0.295 1295 V C 0.456 176.605 176.094 0.090 0.000 1.053 1295 V CA -0.492 61.858 62.300 0.084 0.000 0.987 1295 V CB 1.741 33.618 31.823 0.090 0.000 1.006 1295 V HN 0.519 nan 8.190 nan 0.000 0.472 1296 S N 4.369 120.118 115.700 0.082 0.000 2.673 1296 S HA 0.551 5.008 4.470 -0.022 0.000 0.256 1296 S C -0.876 173.773 174.600 0.082 0.000 1.141 1296 S CA -0.606 57.637 58.200 0.072 0.000 1.109 1296 S CB 0.266 63.495 63.200 0.048 0.000 1.101 1296 S HN 0.505 nan 8.310 nan 0.000 0.471 1297 I N 3.867 124.488 120.570 0.085 0.000 2.441 1297 I HA 0.394 4.551 4.170 -0.022 0.000 0.287 1297 I C 0.311 176.457 176.117 0.048 0.000 1.049 1297 I CA -0.357 60.991 61.300 0.081 0.000 1.381 1297 I CB 1.022 39.028 38.000 0.011 0.000 1.409 1297 I HN 0.429 nan 8.210 nan 0.000 0.523 1298 Q N 6.587 126.443 119.800 0.093 0.000 2.674 1298 Q HA 0.399 4.726 4.340 -0.022 0.000 0.249 1298 Q C -1.157 174.891 176.000 0.080 0.000 1.011 1298 Q CA -0.839 55.003 55.803 0.064 0.000 0.734 1298 Q CB 1.499 30.279 28.738 0.070 0.000 1.201 1298 Q HN 0.544 nan 8.270 nan 0.000 0.498 1299 L N 4.807 126.026 121.223 -0.006 0.000 2.367 1299 L HA 0.207 4.534 4.340 -0.022 0.000 0.275 1299 L C -1.014 175.867 176.870 0.018 0.000 1.129 1299 L CA -0.809 54.024 54.840 -0.012 0.000 0.839 1299 L CB 0.515 42.502 42.059 -0.120 0.000 1.133 1299 L HN 0.302 nan 8.230 nan 0.000 0.453 1300 P HA -0.138 nan 4.420 nan 0.000 0.223 1300 P C 1.349 178.652 177.300 0.006 0.000 1.151 1300 P CA 1.067 64.183 63.100 0.026 0.000 0.787 1300 P CB 0.286 32.006 31.700 0.034 0.000 0.788 1301 S N 0.235 115.933 115.700 -0.004 0.000 2.348 1301 S HA -0.111 4.346 4.470 -0.022 0.000 0.221 1301 S C 1.330 175.921 174.600 -0.016 0.000 1.033 1301 S CA 0.394 58.585 58.200 -0.015 0.000 1.010 1301 S CB -0.843 62.342 63.200 -0.026 0.000 0.891 1301 S HN 0.095 nan 8.310 nan 0.000 0.442 1302 R N 2.048 122.534 120.500 -0.022 0.000 2.490 1302 R HA 0.320 4.647 4.340 -0.022 0.000 0.278 1302 R C 0.984 177.277 176.300 -0.012 0.000 1.069 1302 R CA 0.210 56.298 56.100 -0.021 0.000 1.080 1302 R CB 0.347 30.628 30.300 -0.032 0.000 1.030 1302 R HN 0.581 nan 8.270 nan 0.000 0.491 1303 N N 0.546 119.240 118.700 -0.010 0.000 2.083 1303 N HA -0.144 4.583 4.740 -0.022 0.000 0.190 1303 N C 0.300 175.806 175.510 -0.006 0.000 1.047 1303 N CA 0.820 53.867 53.050 -0.005 0.000 0.845 1303 N CB -0.366 38.118 38.487 -0.005 0.000 1.025 1303 N HN 0.540 nan 8.380 nan 0.000 0.428 1304 S N -0.321 115.373 115.700 -0.010 0.000 2.617 1304 S HA 0.699 5.156 4.470 -0.022 0.000 0.269 1304 S C 0.056 174.648 174.600 -0.014 0.000 1.292 1304 S CA -0.888 57.305 58.200 -0.011 0.000 1.010 1304 S CB 1.192 64.383 63.200 -0.015 0.000 0.944 1304 S HN 0.516 nan 8.310 nan 0.000 0.536 1305 A N 1.061 123.874 122.820 -0.011 0.000 2.316 1305 A HA 0.619 4.925 4.320 -0.022 0.000 0.284 1305 A C 0.086 177.655 177.584 -0.025 0.000 1.115 1305 A CA -0.740 51.291 52.037 -0.011 0.000 0.812 1305 A CB 0.505 19.507 19.000 0.003 0.000 1.064 1305 A HN 1.468 nan 8.150 nan 0.000 0.489 1306 V N 2.592 122.489 119.914 -0.028 0.000 2.481 1306 V HA 0.752 4.859 4.120 -0.022 0.000 0.286 1306 V C -0.034 176.034 176.094 -0.044 0.000 1.042 1306 V CA -0.643 61.625 62.300 -0.054 0.000 0.928 1306 V CB 1.145 32.944 31.823 -0.040 0.000 0.986 1306 V HN 0.998 nan 8.190 nan 0.000 0.462 1307 R N 5.401 125.827 120.500 -0.123 0.000 2.574 1307 R HA 0.531 4.858 4.340 -0.022 0.000 0.288 1307 R C -1.340 174.836 176.300 -0.206 0.000 1.004 1307 R CA -0.619 55.434 56.100 -0.079 0.000 0.895 1307 R CB 1.540 31.815 30.300 -0.042 0.000 1.191 1307 R HN 0.983 nan 8.270 nan 0.000 0.444 1308 H N 2.357 121.430 119.070 0.005 0.000 2.737 1308 H HA 0.498 5.041 4.556 -0.022 0.000 0.358 1308 H C -0.715 174.621 175.328 0.013 0.000 1.187 1308 H CA -0.962 55.089 56.048 0.006 0.000 1.221 1308 H CB 2.409 32.175 29.762 0.005 0.000 1.799 1308 H HN 0.417 nan 8.280 nan 0.000 0.568 1309 R N 1.280 121.869 120.500 0.148 0.000 2.533 1309 R HA 0.442 4.769 4.340 -0.022 0.000 0.288 1309 R C -1.772 174.578 176.300 0.084 0.000 1.039 1309 R CA -0.410 55.745 56.100 0.091 0.000 0.909 1309 R CB 1.046 31.379 30.300 0.055 0.000 1.195 1309 R HN 0.507 nan 8.270 nan 0.000 0.438 1310 I N 6.766 127.383 120.570 0.077 0.000 2.447 1310 I HA 0.412 4.569 4.170 -0.022 0.000 0.287 1310 I C -0.843 175.324 176.117 0.084 0.000 1.023 1310 I CA -0.881 60.461 61.300 0.070 0.000 1.083 1310 I CB 1.639 39.679 38.000 0.066 0.000 1.245 1310 I HN 0.451 nan 8.210 nan 0.000 0.434 1311 L N 2.380 123.654 121.223 0.084 0.000 2.327 1311 L HA 0.519 4.845 4.340 -0.022 0.000 0.258 1311 L C 0.924 177.900 176.870 0.176 0.000 1.024 1311 L CA -0.832 54.085 54.840 0.129 0.000 0.825 1311 L CB 1.321 43.443 42.059 0.106 0.000 1.386 1311 L HN 0.787 nan 8.230 nan 0.000 0.417 1312 W N 1.016 122.331 121.300 0.026 0.000 2.274 1312 W HA -0.283 4.363 4.660 -0.022 0.000 0.314 1312 W C 1.662 178.174 176.519 -0.013 0.000 1.254 1312 W CA 2.430 59.787 57.345 0.021 0.000 1.265 1312 W CB 0.317 29.799 29.460 0.037 0.000 1.141 1312 W HN 0.993 nan 8.180 nan 0.000 0.505 1313 E N 1.061 121.204 120.200 -0.094 0.000 2.006 1313 E HA -0.156 4.181 4.350 -0.022 0.000 0.192 1313 E C 1.232 177.697 176.600 -0.225 0.000 0.993 1313 E CA 1.534 57.780 56.400 -0.257 0.000 0.808 1313 E CB -0.518 29.130 29.700 -0.088 0.000 0.764 1313 E HN 0.136 nan 8.360 nan 0.000 0.449 1314 S N 0.380 116.016 115.700 -0.106 0.000 2.574 1314 S HA -0.127 4.330 4.470 -0.022 0.000 0.302 1314 S C 1.163 175.683 174.600 -0.135 0.000 1.270 1314 S CA 0.209 58.356 58.200 -0.088 0.000 1.040 1314 S CB 0.708 63.892 63.200 -0.026 0.000 0.767 1314 S HN 0.462 nan 8.310 nan 0.000 0.494 1315 A N 2.907 125.661 122.820 -0.110 0.000 1.870 1315 A HA -0.078 4.229 4.320 -0.022 0.000 0.219 1315 A C 1.526 179.016 177.584 -0.157 0.000 1.286 1315 A CA 2.149 54.111 52.037 -0.125 0.000 0.682 1315 A CB -1.188 17.768 19.000 -0.074 0.000 0.844 1315 A HN 1.289 nan 8.150 nan 0.000 0.460 1316 S N -2.767 112.874 115.700 -0.099 0.000 2.638 1316 S HA 0.645 5.102 4.470 -0.022 0.000 0.302 1316 S C 0.144 174.717 174.600 -0.045 0.000 1.096 1316 S CA -0.629 57.520 58.200 -0.086 0.000 0.953 1316 S CB 1.171 64.348 63.200 -0.039 0.000 1.107 1316 S HN 0.335 nan 8.310 nan 0.000 0.503 1317 L N 2.212 123.425 121.223 -0.016 0.000 2.700 1317 L HA 0.423 4.749 4.340 -0.022 0.000 0.234 1317 L C -0.619 176.262 176.870 0.017 0.000 1.156 1317 L CA 0.087 54.941 54.840 0.023 0.000 0.946 1317 L CB -0.219 41.878 42.059 0.064 0.000 1.216 1317 L HN 0.354 nan 8.230 nan 0.000 0.493 1318 L N 0.343 121.564 121.223 -0.002 0.000 2.341 1318 L HA 0.666 4.993 4.340 -0.022 0.000 0.267 1318 L C -0.372 176.459 176.870 -0.065 0.000 1.009 1318 L CA -0.852 53.973 54.840 -0.026 0.000 0.819 1318 L CB 1.999 44.052 42.059 -0.010 0.000 1.323 1318 L HN 0.036 nan 8.230 nan 0.000 0.425 1319 R N 1.252 121.671 120.500 -0.135 0.000 2.867 1319 R HA 0.254 4.581 4.340 -0.022 0.000 0.288 1319 R C -0.962 175.149 176.300 -0.315 0.000 1.360 1319 R CA -0.280 55.653 56.100 -0.279 0.000 1.042 1319 R CB 1.840 31.825 30.300 -0.526 0.000 1.287 1319 R HN 0.889 nan 8.270 nan 0.000 0.404 1320 S N 0.787 116.377 115.700 -0.182 0.000 2.718 1320 S HA 0.732 5.189 4.470 -0.022 0.000 0.292 1320 S C -0.291 174.253 174.600 -0.093 0.000 1.125 1320 S CA -0.507 57.615 58.200 -0.130 0.000 1.013 1320 S CB 2.307 65.468 63.200 -0.066 0.000 1.192 1320 S HN 0.442 nan 8.310 nan 0.000 0.535 1321 E N -0.475 119.689 120.200 -0.059 0.000 2.647 1321 E HA 0.383 4.719 4.350 -0.022 0.000 0.320 1321 E C -2.086 174.478 176.600 -0.060 0.000 0.951 1321 E CA -0.041 56.337 56.400 -0.037 0.000 0.809 1321 E CB 1.381 31.060 29.700 -0.036 0.000 1.295 1321 E HN 0.668 nan 8.360 nan 0.000 0.407 1322 E N 0.899 121.072 120.200 -0.044 0.000 2.232 1322 E HA 0.803 5.140 4.350 -0.022 0.000 0.265 1322 E C -0.817 175.748 176.600 -0.058 0.000 1.001 1322 E CA -0.759 55.614 56.400 -0.045 0.000 0.870 1322 E CB 2.097 31.784 29.700 -0.021 0.000 1.175 1322 E HN 0.258 nan 8.360 nan 0.000 0.407 1323 T N -0.115 114.406 114.554 -0.054 0.000 3.012 1323 T HA 0.313 4.650 4.350 -0.022 0.000 0.330 1323 T C -1.004 173.678 174.700 -0.029 0.000 1.321 1323 T CA -0.776 61.290 62.100 -0.056 0.000 1.067 1323 T CB 0.639 69.447 68.868 -0.098 0.000 1.235 1323 T HN 0.406 nan 8.240 nan 0.000 0.479 1324 K N 2.577 122.966 120.400 -0.019 0.000 2.576 1324 K HA 0.244 4.551 4.320 -0.022 0.000 0.209 1324 K C 0.870 177.460 176.600 -0.018 0.000 1.049 1324 K CA -0.377 55.907 56.287 -0.004 0.000 1.140 1324 K CB 0.545 33.052 32.500 0.013 0.000 0.871 1324 K HN 0.444 nan 8.250 nan 0.000 0.479 1325 E N 0.691 120.872 120.200 -0.030 0.000 2.127 1325 E HA -0.061 4.275 4.350 -0.022 0.000 0.191 1325 E C 0.032 176.599 176.600 -0.055 0.000 0.964 1325 E CA 0.409 56.784 56.400 -0.042 0.000 0.832 1325 E CB -0.098 29.579 29.700 -0.037 0.000 0.790 1325 E HN 0.310 nan 8.360 nan 0.000 0.465 1326 N N 1.724 120.403 118.700 -0.034 0.000 2.648 1326 N HA -0.196 4.531 4.740 -0.022 0.000 0.265 1326 N C -1.390 174.100 175.510 -0.033 0.000 1.100 1326 N CA 0.645 53.671 53.050 -0.040 0.000 0.715 1326 N CB -0.867 37.556 38.487 -0.108 0.000 0.881 1326 N HN 0.089 nan 8.380 nan 0.000 0.548 1327 E N 0.579 120.797 120.200 0.032 0.000 2.275 1327 E HA 0.279 4.616 4.350 -0.022 0.000 0.270 1327 E C -0.385 176.291 176.600 0.128 0.000 0.882 1327 E CA -1.143 55.280 56.400 0.038 0.000 0.758 1327 E CB 1.080 30.796 29.700 0.025 0.000 1.195 1327 E HN 0.523 nan 8.360 nan 0.000 0.419 1328 R N 2.073 122.604 120.500 0.052 0.000 2.638 1328 R HA 0.211 4.538 4.340 -0.022 0.000 0.268 1328 R C -0.428 175.943 176.300 0.118 0.000 1.006 1328 R CA 0.334 56.440 56.100 0.011 0.000 1.088 1328 R CB -0.113 30.149 30.300 -0.063 0.000 0.950 1328 R HN 0.388 nan 8.270 nan 0.000 0.419 1329 F N -1.265 118.669 119.950 -0.028 0.000 2.922 1329 F HA 0.810 5.324 4.527 -0.022 0.000 0.345 1329 F C -0.697 175.094 175.800 -0.016 0.000 1.209 1329 F CA -0.779 57.209 58.000 -0.020 0.000 1.018 1329 F CB 1.181 40.171 39.000 -0.016 0.000 1.472 1329 F HN 0.802 nan 8.300 nan 0.000 0.521 1330 T N -1.147 113.556 114.554 0.249 0.000 2.864 1330 T HA 0.780 5.116 4.350 -0.022 0.000 0.299 1330 T C -1.843 172.981 174.700 0.205 0.000 1.166 1330 T CA -0.737 61.413 62.100 0.083 0.000 1.007 1330 T CB 1.542 70.437 68.868 0.045 0.000 1.219 1330 T HN 0.900 nan 8.240 nan 0.000 0.506 1331 V N 1.640 121.619 119.914 0.107 0.000 2.668 1331 V HA 0.564 4.671 4.120 -0.022 0.000 0.304 1331 V C -0.616 175.519 176.094 0.068 0.000 1.071 1331 V CA -0.954 61.420 62.300 0.123 0.000 0.894 1331 V CB 1.937 33.844 31.823 0.140 0.000 1.008 1331 V HN 0.961 nan 8.190 nan 0.000 0.425 1332 K N 2.842 123.281 120.400 0.065 0.000 2.207 1332 K HA 0.911 5.218 4.320 -0.022 0.000 0.255 1332 K C -0.556 176.074 176.600 0.050 0.000 0.941 1332 K CA -0.550 55.765 56.287 0.046 0.000 0.825 1332 K CB 2.528 35.052 32.500 0.039 0.000 1.119 1332 K HN 0.852 nan 8.250 nan 0.000 0.430 1333 A N 2.764 125.610 122.820 0.043 0.000 2.422 1333 A HA 0.512 4.818 4.320 -0.022 0.000 0.302 1333 A C -1.220 176.389 177.584 0.042 0.000 1.041 1333 A CA -0.710 51.356 52.037 0.047 0.000 0.708 1333 A CB 1.170 20.200 19.000 0.050 0.000 1.257 1333 A HN 0.768 nan 8.150 nan 0.000 0.414 1334 E N 0.333 120.559 120.200 0.044 0.000 2.392 1334 E HA 0.717 5.054 4.350 -0.022 0.000 0.269 1334 E C -0.026 176.601 176.600 0.045 0.000 0.924 1334 E CA -0.391 56.033 56.400 0.041 0.000 0.784 1334 E CB 2.420 32.141 29.700 0.035 0.000 1.292 1334 E HN 1.860 nan 8.360 nan 0.000 0.447 1335 G N 1.247 110.072 108.800 0.043 0.000 2.603 1335 G HA2 -0.159 3.788 3.960 -0.022 0.000 0.686 1335 G HA3 -0.159 3.788 3.960 -0.022 0.000 0.686 1335 G C -1.041 173.889 174.900 0.050 0.000 1.286 1335 G CA -0.938 44.190 45.100 0.045 0.000 0.871 1335 G HN 0.332 nan 8.290 nan 0.000 0.568 1336 K N 0.136 120.565 120.400 0.049 0.000 2.154 1336 K HA 0.650 4.957 4.320 -0.022 0.000 0.264 1336 K C 0.677 177.311 176.600 0.057 0.000 1.008 1336 K CA 0.585 56.901 56.287 0.048 0.000 0.937 1336 K CB 1.305 33.827 32.500 0.037 0.000 1.002 1336 K HN 2.079 nan 8.250 nan 0.000 0.469 1337 G N 0.663 109.498 108.800 0.057 0.000 2.347 1337 G HA2 -0.026 3.921 3.960 -0.022 0.000 0.477 1337 G HA3 -0.026 3.921 3.960 -0.022 0.000 0.477 1337 G C -1.940 173.005 174.900 0.075 0.000 1.349 1337 G CA -0.890 44.250 45.100 0.067 0.000 1.000 1337 G HN 0.521 nan 8.290 nan 0.000 0.605 1338 Q N -0.134 119.717 119.800 0.086 0.000 2.296 1338 Q HA 0.609 4.936 4.340 -0.022 0.000 0.254 1338 Q C 0.042 176.099 176.000 0.094 0.000 0.936 1338 Q CA 0.063 55.921 55.803 0.091 0.000 0.834 1338 Q CB 1.157 29.955 28.738 0.099 0.000 1.340 1338 Q HN 1.646 nan 8.270 nan 0.000 0.428 1339 G N 1.277 110.124 108.800 0.079 0.000 3.195 1339 G HA2 0.780 4.727 3.960 -0.022 0.000 0.217 1339 G HA3 0.780 4.727 3.960 -0.022 0.000 0.217 1339 G C -1.077 173.851 174.900 0.048 0.000 1.166 1339 G CA -0.432 44.710 45.100 0.069 0.000 0.812 1339 G HN 0.489 nan 8.290 nan 0.000 0.617 1340 T N -0.164 114.408 114.554 0.030 0.000 2.923 1340 T HA 0.543 4.880 4.350 -0.022 0.000 0.311 1340 T C -1.582 173.118 174.700 -0.001 0.000 1.183 1340 T CA -0.328 61.777 62.100 0.007 0.000 1.020 1340 T CB 1.954 70.815 68.868 -0.012 0.000 1.165 1340 T HN 0.938 nan 8.240 nan 0.000 0.482 1341 L N 1.753 122.972 121.223 -0.007 0.000 2.410 1341 L HA 0.906 5.232 4.340 -0.022 0.000 0.270 1341 L C -0.606 176.254 176.870 -0.016 0.000 0.983 1341 L CA -0.223 54.619 54.840 0.003 0.000 0.822 1341 L CB 1.951 44.026 42.059 0.027 0.000 1.285 1341 L HN 0.852 nan 8.230 nan 0.000 0.409 1342 S N 2.916 118.608 115.700 -0.014 0.000 2.595 1342 S HA 0.940 5.396 4.470 -0.022 0.000 0.281 1342 S C -1.185 173.422 174.600 0.013 0.000 1.117 1342 S CA -0.713 57.467 58.200 -0.033 0.000 0.873 1342 S CB 1.964 65.119 63.200 -0.076 0.000 1.108 1342 S HN 0.661 nan 8.310 nan 0.000 0.477 1343 V N 1.536 121.456 119.914 0.011 0.000 2.509 1343 V HA 0.469 4.576 4.120 -0.022 0.000 0.289 1343 V C -1.108 175.001 176.094 0.024 0.000 1.026 1343 V CA -0.544 61.795 62.300 0.064 0.000 0.872 1343 V CB 1.390 33.296 31.823 0.139 0.000 1.017 1343 V HN 0.822 nan 8.190 nan 0.000 0.436 1344 V N 4.139 124.063 119.914 0.018 0.000 2.378 1344 V HA 0.597 4.704 4.120 -0.022 0.000 0.288 1344 V C 0.388 176.500 176.094 0.029 0.000 1.016 1344 V CA -0.259 62.046 62.300 0.008 0.000 0.840 1344 V CB 2.270 34.085 31.823 -0.014 0.000 0.994 1344 V HN 0.956 nan 8.190 nan 0.000 0.431 1345 T N 3.133 117.717 114.554 0.050 0.000 2.824 1345 T HA 0.688 5.025 4.350 -0.022 0.000 0.280 1345 T C -0.661 174.109 174.700 0.117 0.000 0.995 1345 T CA -0.602 61.541 62.100 0.071 0.000 1.009 1345 T CB 1.643 70.548 68.868 0.062 0.000 0.955 1345 T HN 0.600 nan 8.240 nan 0.000 0.452 1346 V N 6.520 126.490 119.914 0.093 0.000 2.513 1346 V HA 0.877 4.984 4.120 -0.022 0.000 0.299 1346 V C -1.233 174.931 176.094 0.116 0.000 1.035 1346 V CA -0.644 61.689 62.300 0.055 0.000 0.889 1346 V CB 0.608 32.415 31.823 -0.028 0.000 0.988 1346 V HN 1.089 nan 8.190 nan 0.000 0.440 1347 Y N 3.484 123.699 120.300 -0.141 0.000 2.900 1347 Y HA 0.675 5.212 4.550 -0.022 0.000 0.318 1347 Y C -1.147 174.591 175.900 -0.270 0.000 1.457 1347 Y CA -1.259 56.755 58.100 -0.142 0.000 1.082 1347 Y CB 1.370 39.818 38.460 -0.019 0.000 1.419 1347 Y HN 0.582 nan 8.280 nan 0.000 0.459 1348 H N 1.099 120.248 119.070 0.132 0.000 2.708 1348 H HA 0.774 5.317 4.556 -0.022 0.000 0.320 1348 H C -0.688 174.703 175.328 0.105 0.000 0.991 1348 H CA -0.380 55.672 56.048 0.006 0.000 1.243 1348 H CB 1.567 31.379 29.762 0.084 0.000 1.446 1348 H HN 0.960 nan 8.280 nan 0.000 0.502 1349 A N 3.430 126.277 122.820 0.045 0.000 2.326 1349 A HA 0.614 4.920 4.320 -0.022 0.000 0.303 1349 A C 0.247 177.900 177.584 0.114 0.000 1.164 1349 A CA -0.556 51.578 52.037 0.161 0.000 0.929 1349 A CB 1.577 20.646 19.000 0.116 0.000 1.363 1349 A HN 0.651 nan 8.150 nan 0.000 0.498 1350 K N -1.294 119.163 120.400 0.095 0.000 3.705 1350 K HA 0.695 5.002 4.320 -0.022 0.000 0.259 1350 K C -0.784 175.836 176.600 0.034 0.000 0.995 1350 K CA -0.396 55.904 56.287 0.021 0.000 1.722 1350 K CB 0.066 32.567 32.500 0.002 0.000 3.149 1350 K HN 0.651 nan 8.250 nan 0.000 0.897 1351 L N -1.402 119.826 121.223 0.009 0.000 2.388 1351 L HA 0.574 4.901 4.340 -0.022 0.000 0.264 1351 L C -0.508 176.421 176.870 0.097 0.000 0.998 1351 L CA -0.953 53.952 54.840 0.108 0.000 0.817 1351 L CB 2.172 44.300 42.059 0.116 0.000 1.338 1351 L HN 0.306 nan 8.230 nan 0.000 0.414 1352 K N 1.267 121.742 120.400 0.125 0.000 2.498 1352 K HA 0.405 4.712 4.320 -0.022 0.000 0.207 1352 K C 0.875 177.528 176.600 0.089 0.000 1.033 1352 K CA 0.369 56.709 56.287 0.089 0.000 1.138 1352 K CB 0.759 33.308 32.500 0.081 0.000 0.860 1352 K HN 1.034 nan 8.250 nan 0.000 0.490 1353 G N 2.309 111.177 108.800 0.114 0.000 4.951 1353 G HA2 -0.377 3.570 3.960 -0.022 0.000 0.295 1353 G HA3 -0.377 3.570 3.960 -0.022 0.000 0.295 1353 G C 0.683 175.649 174.900 0.111 0.000 1.540 1353 G CA 0.408 45.571 45.100 0.106 0.000 1.044 1353 G HN 0.324 nan 8.290 nan 0.000 0.731 1354 K N -0.366 120.083 120.400 0.082 0.000 2.558 1354 K HA 0.492 4.798 4.320 -0.022 0.000 0.215 1354 K C 0.327 176.963 176.600 0.061 0.000 1.298 1354 K CA 0.164 56.492 56.287 0.069 0.000 1.008 1354 K CB 2.042 34.575 32.500 0.055 0.000 1.073 1354 K HN 0.350 nan 8.250 nan 0.000 0.606 1355 V N 1.666 121.616 119.914 0.061 0.000 2.881 1355 V HA 0.057 4.164 4.120 -0.022 0.000 0.303 1355 V C 0.684 176.813 176.094 0.058 0.000 1.070 1355 V CA -0.071 62.260 62.300 0.052 0.000 1.074 1355 V CB 1.313 33.163 31.823 0.046 0.000 1.012 1355 V HN 0.397 nan 8.190 nan 0.000 0.482 1356 S N 0.713 116.444 115.700 0.052 0.000 3.791 1356 S HA -0.180 4.277 4.470 -0.022 0.000 0.393 1356 S C -0.189 174.448 174.600 0.061 0.000 0.936 1356 S CA 0.666 58.899 58.200 0.054 0.000 1.234 1356 S CB -0.814 62.418 63.200 0.054 0.000 0.891 1356 S HN 1.364 nan 8.310 nan 0.000 0.519 1357 c N 3.205 121.845 118.600 0.067 0.000 3.384 1357 c HA 0.501 5.058 4.570 -0.022 0.000 0.294 1357 c C -0.638 173.510 174.090 0.096 0.000 1.062 1357 c CA -0.578 55.799 56.329 0.081 0.000 1.325 1357 c CB -0.139 42.411 42.510 0.066 0.000 1.793 1357 c HN 0.590 nan 8.230 nan 0.000 0.563 1358 K N 3.648 124.118 120.400 0.117 0.000 2.270 1358 K HA 0.536 4.843 4.320 -0.022 0.000 0.255 1358 K C 0.135 176.832 176.600 0.162 0.000 0.936 1358 K CA -0.435 55.917 56.287 0.109 0.000 0.809 1358 K CB 1.408 33.956 32.500 0.080 0.000 1.131 1358 K HN 0.372 nan 8.250 nan 0.000 0.427 1359 K N 0.514 120.963 120.400 0.081 0.000 3.467 1359 K HA -0.131 4.175 4.320 -0.022 0.000 0.309 1359 K C -1.315 175.251 176.600 -0.057 0.000 1.350 1359 K CA 0.923 57.206 56.287 -0.006 0.000 0.934 1359 K CB -1.292 31.269 32.500 0.102 0.000 1.312 1359 K HN 0.746 nan 8.250 nan 0.000 0.461 1360 F N -0.648 119.347 119.950 0.075 0.000 2.686 1360 F HA 0.384 4.898 4.527 -0.022 0.000 0.311 1360 F C -0.391 175.441 175.800 0.054 0.000 1.128 1360 F CA -0.961 57.107 58.000 0.114 0.000 0.946 1360 F CB 1.723 40.807 39.000 0.140 0.000 1.336 1360 F HN -0.273 nan 8.300 nan 0.000 0.457 1361 D N 2.100 122.671 120.400 0.286 0.000 2.498 1361 D HA 0.603 5.230 4.640 -0.022 0.000 0.247 1361 D C -1.570 174.824 176.300 0.156 0.000 1.070 1361 D CA -0.121 53.971 54.000 0.154 0.000 0.842 1361 D CB 2.398 43.254 40.800 0.093 0.000 1.361 1361 D HN 0.360 nan 8.370 nan 0.000 0.484 1362 L N 2.386 123.660 121.223 0.086 0.000 2.614 1362 L HA 0.447 4.773 4.340 -0.022 0.000 0.264 1362 L C -1.648 175.227 176.870 0.009 0.000 0.940 1362 L CA -0.397 54.467 54.840 0.041 0.000 0.903 1362 L CB 1.754 43.817 42.059 0.007 0.000 1.306 1362 L HN 0.436 nan 8.230 nan 0.000 0.410 1363 R N 3.899 124.397 120.500 -0.003 0.000 2.599 1363 R HA 0.840 5.167 4.340 -0.022 0.000 0.295 1363 R C -1.926 174.345 176.300 -0.049 0.000 0.963 1363 R CA -0.498 55.594 56.100 -0.013 0.000 0.883 1363 R CB 2.248 32.547 30.300 -0.002 0.000 1.171 1363 R HN 0.472 nan 8.270 nan 0.000 0.450 1364 V N 2.458 122.340 119.914 -0.053 0.000 2.612 1364 V HA 0.364 4.470 4.120 -0.022 0.000 0.301 1364 V C -0.864 175.189 176.094 -0.068 0.000 1.059 1364 V CA -0.650 61.586 62.300 -0.107 0.000 0.886 1364 V CB 2.138 33.867 31.823 -0.156 0.000 1.007 1364 V HN 0.799 nan 8.190 nan 0.000 0.426 1365 S N 4.434 120.072 115.700 -0.104 0.000 2.568 1365 S HA 0.829 5.286 4.470 -0.022 0.000 0.293 1365 S C -0.876 173.665 174.600 -0.098 0.000 1.089 1365 S CA -0.529 57.636 58.200 -0.059 0.000 0.945 1365 S CB 2.170 65.341 63.200 -0.047 0.000 1.077 1365 S HN 0.690 nan 8.310 nan 0.000 0.485 1366 I N 2.416 122.966 120.570 -0.033 0.000 2.722 1366 I HA 0.703 4.860 4.170 -0.022 0.000 0.295 1366 I C -1.406 174.703 176.117 -0.013 0.000 1.161 1366 I CA -0.695 60.577 61.300 -0.046 0.000 1.032 1366 I CB 1.644 39.656 38.000 0.019 0.000 1.244 1366 I HN 0.864 nan 8.210 nan 0.000 0.421 1367 R N 6.543 127.028 120.500 -0.025 0.000 2.663 1367 R HA 0.580 4.907 4.340 -0.022 0.000 0.267 1367 R C -3.144 173.163 176.300 0.012 0.000 1.038 1367 R CA -1.540 54.562 56.100 0.002 0.000 0.886 1367 R CB 1.708 32.004 30.300 -0.007 0.000 1.249 1367 R HN 0.177 nan 8.270 nan 0.000 0.463 1368 P HA 0.015 nan 4.420 nan 0.000 0.265 1368 P C -0.280 177.037 177.300 0.028 0.000 1.193 1368 P CA 0.160 63.290 63.100 0.050 0.000 0.765 1368 P CB 0.921 32.654 31.700 0.054 0.000 0.823 1369 A N 6.081 128.921 122.820 0.033 0.000 2.366 1369 A HA 0.423 4.730 4.320 -0.022 0.000 0.250 1369 A C -1.663 175.931 177.584 0.017 0.000 1.099 1369 A CA -1.088 50.960 52.037 0.018 0.000 0.794 1369 A CB -1.411 17.608 19.000 0.032 0.000 1.056 1369 A HN 0.500 nan 8.150 nan 0.000 0.499 1370 P HA 0.107 nan 4.420 nan 0.000 0.270 1370 P C -0.020 177.288 177.300 0.013 0.000 1.223 1370 P CA 0.059 63.163 63.100 0.008 0.000 0.785 1370 P CB 0.653 32.354 31.700 0.001 0.000 0.923 1371 E N 0.134 120.340 120.200 0.010 0.000 2.072 1371 E HA -0.121 4.215 4.350 -0.022 0.000 0.191 1371 E C 1.368 177.974 176.600 0.010 0.000 0.985 1371 E CA 1.772 58.178 56.400 0.010 0.000 0.801 1371 E CB -0.533 29.172 29.700 0.007 0.000 0.750 1371 E HN 0.624 nan 8.360 nan 0.000 0.452 1372 T N -0.979 113.580 114.554 0.008 0.000 3.584 1372 T HA 0.086 4.423 4.350 -0.022 0.000 0.252 1372 T C 0.364 175.071 174.700 0.012 0.000 1.103 1372 T CA -0.284 61.821 62.100 0.008 0.000 0.977 1372 T CB -0.330 68.542 68.868 0.006 0.000 1.044 1372 T HN -0.112 nan 8.240 nan 0.000 0.589 1373 V N 1.822 121.745 119.914 0.016 0.000 2.716 1373 V HA 0.376 4.483 4.120 -0.022 0.000 0.304 1373 V C 0.274 176.384 176.094 0.026 0.000 1.053 1373 V CA -1.438 60.877 62.300 0.024 0.000 0.984 1373 V CB 1.271 33.116 31.823 0.036 0.000 1.021 1373 V HN 0.622 nan 8.190 nan 0.000 0.467 1374 K N 5.434 125.854 120.400 0.033 0.000 2.110 1374 K HA 0.263 4.570 4.320 -0.022 0.000 0.260 1374 K C -0.281 176.328 176.600 0.015 0.000 1.126 1374 K CA -0.352 55.952 56.287 0.028 0.000 1.005 1374 K CB 0.238 32.760 32.500 0.036 0.000 1.336 1374 K HN 0.451 nan 8.250 nan 0.000 0.369 1375 K N 3.726 124.112 120.400 -0.023 0.000 2.185 1375 K HA 0.277 4.584 4.320 -0.022 0.000 0.269 1375 K C -2.777 173.721 176.600 -0.170 0.000 0.987 1375 K CA -2.173 54.044 56.287 -0.116 0.000 0.865 1375 K CB 1.177 33.632 32.500 -0.075 0.000 1.090 1375 K HN 0.148 nan 8.250 nan 0.000 0.450 1376 P HA -0.092 nan 4.420 nan 0.000 0.260 1376 P C 0.608 177.857 177.300 -0.086 0.000 1.185 1376 P CA 0.134 63.134 63.100 -0.168 0.000 0.763 1376 P CB 0.618 32.189 31.700 -0.215 0.000 0.776 1377 Q N 3.514 123.314 119.800 -0.001 0.000 2.242 1377 Q HA -0.316 4.011 4.340 -0.022 0.000 0.211 1377 Q C 1.087 177.091 176.000 0.007 0.000 0.992 1377 Q CA 2.112 57.923 55.803 0.014 0.000 0.889 1377 Q CB -1.209 27.569 28.738 0.067 0.000 0.913 1377 Q HN 0.473 nan 8.270 nan 0.000 0.422 1378 D N 0.732 121.164 120.400 0.052 0.000 2.277 1378 D HA 0.089 4.716 4.640 -0.022 0.000 0.208 1378 D C -0.099 176.231 176.300 0.051 0.000 0.962 1378 D CA 0.684 54.732 54.000 0.081 0.000 0.865 1378 D CB 0.201 41.100 40.800 0.166 0.000 0.939 1378 D HN 0.345 nan 8.370 nan 0.000 0.510 1379 A N 0.859 123.612 122.820 -0.112 0.000 2.401 1379 A HA 0.167 4.474 4.320 -0.022 0.000 0.259 1379 A C 0.840 178.257 177.584 -0.278 0.000 1.103 1379 A CA -0.312 51.455 52.037 -0.450 0.000 0.789 1379 A CB 0.418 18.956 19.000 -0.770 0.000 1.035 1379 A HN 0.045 nan 8.150 nan 0.000 0.491 1380 K N 1.735 121.969 120.400 -0.277 0.000 2.589 1380 K HA 0.314 4.621 4.320 -0.022 0.000 0.204 1380 K C 0.546 177.061 176.600 -0.142 0.000 1.029 1380 K CA 0.674 56.856 56.287 -0.174 0.000 1.177 1380 K CB -0.417 31.993 32.500 -0.151 0.000 0.902 1380 K HN 1.137 nan 8.250 nan 0.000 0.501 1381 G N 0.736 109.445 108.800 -0.153 0.000 2.335 1381 G HA2 -0.027 3.920 3.960 -0.022 0.000 0.592 1381 G HA3 -0.027 3.920 3.960 -0.022 0.000 0.592 1381 G C -1.038 173.854 174.900 -0.014 0.000 1.442 1381 G CA -0.745 44.315 45.100 -0.067 0.000 0.976 1381 G HN 0.156 nan 8.290 nan 0.000 0.652 1382 S N -0.625 115.128 115.700 0.088 0.000 2.618 1382 S HA 0.916 5.373 4.470 -0.022 0.000 0.277 1382 S C -0.405 174.288 174.600 0.155 0.000 1.138 1382 S CA -0.819 57.497 58.200 0.193 0.000 0.844 1382 S CB 2.257 65.707 63.200 0.416 0.000 1.127 1382 S HN 0.994 nan 8.310 nan 0.000 0.474 1383 M N 0.924 120.610 119.600 0.144 0.000 2.631 1383 M HA 0.544 5.011 4.480 -0.022 0.000 0.288 1383 M C -1.461 174.828 176.300 -0.018 0.000 1.260 1383 M CA -0.626 54.717 55.300 0.072 0.000 0.842 1383 M CB 2.205 34.863 32.600 0.096 0.000 1.743 1383 M HN 0.597 nan 8.290 nan 0.000 0.461 1384 I N 2.315 122.850 120.570 -0.059 0.000 2.339 1384 I HA 0.371 4.528 4.170 -0.022 0.000 0.290 1384 I C -1.220 174.773 176.117 -0.207 0.000 0.994 1384 I CA -0.804 60.418 61.300 -0.131 0.000 1.191 1384 I CB 1.439 39.371 38.000 -0.114 0.000 1.343 1384 I HN 0.384 nan 8.210 nan 0.000 0.458 1385 L N 7.025 128.034 121.223 -0.356 0.000 2.287 1385 L HA 0.479 4.806 4.340 -0.022 0.000 0.287 1385 L C -0.845 175.657 176.870 -0.613 0.000 1.022 1385 L CA 0.074 54.613 54.840 -0.501 0.000 0.814 1385 L CB 0.952 42.615 42.059 -0.659 0.000 1.217 1385 L HN 0.437 nan 8.230 nan 0.000 0.420 1386 D N 6.743 126.886 120.400 -0.429 0.000 2.344 1386 D HA 0.438 5.064 4.640 -0.022 0.000 0.239 1386 D C -0.405 175.702 176.300 -0.322 0.000 1.064 1386 D CA 0.015 53.800 54.000 -0.360 0.000 0.829 1386 D CB 2.047 42.715 40.800 -0.221 0.000 1.129 1386 D HN 0.413 nan 8.370 nan 0.000 0.506 1387 I N 1.090 121.474 120.570 -0.309 0.000 2.603 1387 I HA 0.450 4.607 4.170 -0.022 0.000 0.300 1387 I C -0.341 175.712 176.117 -0.105 0.000 1.017 1387 I CA -0.757 60.415 61.300 -0.213 0.000 1.098 1387 I CB 2.396 40.274 38.000 -0.204 0.000 1.279 1387 I HN 0.243 nan 8.210 nan 0.000 0.437 1388 c N 3.588 122.156 118.600 -0.054 0.000 2.931 1388 c HA 0.701 5.258 4.570 -0.022 0.000 0.370 1388 c C -0.434 173.678 174.090 0.037 0.000 1.071 1388 c CA -0.092 56.244 56.329 0.012 0.000 1.266 1388 c CB 1.350 43.867 42.510 0.013 0.000 1.691 1388 c HN 0.907 nan 8.230 nan 0.000 0.511 1389 T N 3.861 118.466 114.554 0.085 0.000 2.894 1389 T HA 0.642 4.979 4.350 -0.022 0.000 0.309 1389 T C -1.739 173.072 174.700 0.185 0.000 1.208 1389 T CA -0.424 61.757 62.100 0.134 0.000 1.016 1389 T CB 1.597 70.548 68.868 0.138 0.000 1.192 1389 T HN 0.932 nan 8.240 nan 0.000 0.491 1390 K N 2.751 123.282 120.400 0.218 0.000 2.426 1390 K HA 0.490 4.797 4.320 -0.022 0.000 0.251 1390 K C -1.654 175.066 176.600 0.201 0.000 0.941 1390 K CA -0.890 55.505 56.287 0.179 0.000 0.808 1390 K CB 2.106 34.655 32.500 0.082 0.000 1.265 1390 K HN 0.735 nan 8.250 nan 0.000 0.432 1391 Y N 3.502 123.768 120.300 -0.056 0.000 2.354 1391 Y HA 0.336 4.873 4.550 -0.022 0.000 0.322 1391 Y C -0.121 175.652 175.900 -0.212 0.000 1.253 1391 Y CA -0.689 57.194 58.100 -0.363 0.000 1.272 1391 Y CB 0.905 39.161 38.460 -0.340 0.000 1.255 1391 Y HN 0.487 nan 8.280 nan 0.000 0.500 1392 L N 5.269 125.877 121.223 -1.025 0.000 3.168 1392 L HA 0.441 4.767 4.340 -0.022 0.000 0.277 1392 L C 0.249 176.687 176.870 -0.720 0.000 1.308 1392 L CA -0.268 54.185 54.840 -0.643 0.000 0.976 1392 L CB -0.007 41.822 42.059 -0.383 0.000 1.383 1392 L HN 0.695 nan 8.230 nan 0.000 0.572 1393 G N -1.345 106.908 108.800 -0.912 0.000 2.511 1393 G HA2 0.282 4.229 3.960 -0.022 0.000 0.318 1393 G HA3 0.282 4.229 3.960 -0.022 0.000 0.318 1393 G C 0.073 174.840 174.900 -0.223 0.000 1.210 1393 G CA -0.348 44.457 45.100 -0.493 0.000 0.969 1393 G HN 0.102 nan 8.290 nan 0.000 0.484 1394 D N -0.295 120.019 120.400 -0.144 0.000 2.411 1394 D HA -0.042 4.585 4.640 -0.022 0.000 0.226 1394 D C 0.721 176.810 176.300 -0.351 0.000 0.988 1394 D CA 1.194 55.119 54.000 -0.124 0.000 0.938 1394 D CB 0.448 41.235 40.800 -0.022 0.000 0.883 1394 D HN 0.393 nan 8.370 nan 0.000 0.525 1395 Q N -0.148 119.401 119.800 -0.418 0.000 2.495 1395 Q HA 0.246 4.573 4.340 -0.022 0.000 0.287 1395 Q C -1.267 174.527 176.000 -0.343 0.000 1.078 1395 Q CA -0.908 54.584 55.803 -0.519 0.000 0.793 1395 Q CB 1.846 30.469 28.738 -0.192 0.000 1.459 1395 Q HN -0.200 nan 8.270 nan 0.000 0.422 1396 D N 1.129 121.409 120.400 -0.200 0.000 2.458 1396 D HA 0.247 4.874 4.640 -0.022 0.000 0.243 1396 D C -0.486 175.790 176.300 -0.039 0.000 1.146 1396 D CA 0.437 54.489 54.000 0.085 0.000 0.877 1396 D CB 0.830 41.678 40.800 0.079 0.000 1.176 1396 D HN 0.555 nan 8.370 nan 0.000 0.461 1397 A N 2.860 125.540 122.820 -0.232 0.000 2.507 1397 A HA 0.297 4.603 4.320 -0.022 0.000 0.235 1397 A C 0.882 178.312 177.584 -0.256 0.000 1.070 1397 A CA 0.010 51.606 52.037 -0.736 0.000 0.768 1397 A CB 0.392 18.743 19.000 -1.081 0.000 1.011 1397 A HN 0.538 nan 8.150 nan 0.000 0.502 1398 T N 0.911 115.347 114.554 -0.198 0.000 2.891 1398 T HA 0.417 4.754 4.350 -0.022 0.000 0.294 1398 T C 0.707 175.416 174.700 0.014 0.000 1.065 1398 T CA -0.420 61.636 62.100 -0.074 0.000 0.936 1398 T CB 0.195 69.008 68.868 -0.093 0.000 1.415 1398 T HN 0.773 nan 8.240 nan 0.000 0.572 1399 M N 2.439 122.089 119.600 0.084 0.000 2.323 1399 M HA 0.074 4.541 4.480 -0.022 0.000 0.386 1399 M C -0.814 175.564 176.300 0.130 0.000 1.525 1399 M CA 0.661 56.048 55.300 0.145 0.000 0.914 1399 M CB -0.374 32.352 32.600 0.210 0.000 2.042 1399 M HN 0.491 nan 8.290 nan 0.000 0.483 1400 S N 5.406 121.155 115.700 0.083 0.000 2.745 1400 S HA 0.832 5.289 4.470 -0.022 0.000 0.306 1400 S C -0.755 173.761 174.600 -0.141 0.000 1.137 1400 S CA -0.876 57.310 58.200 -0.024 0.000 0.900 1400 S CB 1.800 64.973 63.200 -0.046 0.000 1.176 1400 S HN 0.782 nan 8.310 nan 0.000 0.520 1401 I N 1.003 121.289 120.570 -0.473 0.000 2.686 1401 I HA 0.388 4.545 4.170 -0.022 0.000 0.295 1401 I C -1.568 174.152 176.117 -0.662 0.000 1.114 1401 I CA -0.503 60.452 61.300 -0.576 0.000 1.038 1401 I CB 1.840 39.448 38.000 -0.653 0.000 1.238 1401 I HN 0.322 nan 8.210 nan 0.000 0.420 1402 L N 5.260 126.248 121.223 -0.392 0.000 2.295 1402 L HA 0.353 4.680 4.340 -0.022 0.000 0.281 1402 L C -0.455 176.295 176.870 -0.200 0.000 1.018 1402 L CA -0.300 54.373 54.840 -0.278 0.000 0.841 1402 L CB 1.020 42.990 42.059 -0.148 0.000 1.218 1402 L HN 0.531 nan 8.230 nan 0.000 0.424 1403 D N 6.029 126.327 120.400 -0.170 0.000 2.479 1403 D HA 0.245 4.872 4.640 -0.022 0.000 0.218 1403 D C -0.377 175.906 176.300 -0.028 0.000 1.131 1403 D CA -0.364 53.596 54.000 -0.067 0.000 0.916 1403 D CB 0.610 41.413 40.800 0.006 0.000 1.022 1403 D HN 0.345 nan 8.370 nan 0.000 0.515 1404 I N 3.040 123.606 120.570 -0.006 0.000 2.291 1404 I HA 0.054 4.211 4.170 -0.022 0.000 0.290 1404 I C 0.850 177.025 176.117 0.096 0.000 1.050 1404 I CA -0.536 60.787 61.300 0.039 0.000 1.245 1404 I CB 1.167 39.192 38.000 0.043 0.000 1.405 1404 I HN 0.192 nan 8.210 nan 0.000 0.478 1405 S N 7.079 122.865 115.700 0.144 0.000 2.562 1405 S HA 0.582 5.039 4.470 -0.022 0.000 0.275 1405 S C -0.027 174.698 174.600 0.207 0.000 1.281 1405 S CA -0.979 57.307 58.200 0.143 0.000 1.045 1405 S CB 1.284 64.559 63.200 0.125 0.000 0.962 1405 S HN 0.382 nan 8.310 nan 0.000 0.503 1406 M N 2.430 122.132 119.600 0.170 0.000 2.288 1406 M HA 0.345 4.812 4.480 -0.022 0.000 0.334 1406 M C 0.087 176.465 176.300 0.131 0.000 1.150 1406 M CA -0.076 55.344 55.300 0.199 0.000 1.118 1406 M CB 0.743 33.478 32.600 0.224 0.000 1.501 1406 M HN 0.704 nan 8.290 nan 0.000 0.462 1407 M N 1.399 121.057 119.600 0.097 0.000 2.211 1407 M HA 0.153 4.620 4.480 -0.022 0.000 0.356 1407 M C 0.452 176.930 176.300 0.296 0.000 1.216 1407 M CA -0.461 54.886 55.300 0.077 0.000 1.134 1407 M CB 0.588 33.150 32.600 -0.064 0.000 1.564 1407 M HN 0.740 nan 8.290 nan 0.000 0.463 1408 T N 0.314 114.970 114.554 0.170 0.000 2.709 1408 T HA 0.213 4.549 4.350 -0.022 0.000 0.269 1408 T C 1.163 175.971 174.700 0.180 0.000 1.008 1408 T CA 0.462 62.644 62.100 0.137 0.000 1.194 1408 T CB -0.048 68.840 68.868 0.033 0.000 0.986 1408 T HN 1.045 nan 8.240 nan 0.000 0.508 1409 G N 2.493 111.407 108.800 0.190 0.000 2.284 1409 G HA2 -0.193 3.753 3.960 -0.022 0.000 0.216 1409 G HA3 -0.193 3.753 3.960 -0.022 0.000 0.216 1409 G C -0.056 175.023 174.900 0.299 0.000 1.009 1409 G CA -0.461 44.809 45.100 0.283 0.000 0.625 1409 G HN 0.692 nan 8.290 nan 0.000 0.501 1410 F N 1.654 121.768 119.950 0.272 0.000 2.410 1410 F HA 0.692 5.205 4.527 -0.022 0.000 0.334 1410 F C 0.906 176.877 175.800 0.284 0.000 1.134 1410 F CA 0.679 58.836 58.000 0.260 0.000 1.227 1410 F CB 1.895 41.000 39.000 0.175 0.000 1.194 1410 F HN 0.134 nan 8.300 nan 0.000 0.571 1411 S N 3.409 119.420 115.700 0.519 0.000 2.562 1411 S HA 0.404 4.861 4.470 -0.022 0.000 0.274 1411 S C -2.962 171.820 174.600 0.303 0.000 1.160 1411 S CA -1.433 56.996 58.200 0.383 0.000 0.933 1411 S CB 1.404 64.854 63.200 0.416 0.000 1.100 1411 S HN 0.274 nan 8.310 nan 0.000 0.468 1412 P HA 0.069 nan 4.420 nan 0.000 0.268 1412 P C -0.853 176.456 177.300 0.016 0.000 1.208 1412 P CA -0.047 63.070 63.100 0.028 0.000 0.777 1412 P CB 0.372 31.977 31.700 -0.158 0.000 0.875 1413 D N 2.294 122.654 120.400 -0.066 0.000 2.359 1413 D HA 0.013 4.640 4.640 -0.022 0.000 0.250 1413 D C 1.281 177.558 176.300 -0.038 0.000 1.264 1413 D CA -0.172 53.846 54.000 0.030 0.000 0.911 1413 D CB 0.600 41.401 40.800 0.002 0.000 1.056 1413 D HN -0.037 nan 8.370 nan 0.000 0.499 1414 V N 4.188 124.116 119.914 0.023 0.000 2.568 1414 V HA -0.219 3.887 4.120 -0.022 0.000 0.253 1414 V C 2.273 178.353 176.094 -0.023 0.000 1.072 1414 V CA 1.335 63.621 62.300 -0.024 0.000 1.084 1414 V CB -0.385 31.486 31.823 0.079 0.000 0.676 1414 V HN 0.464 nan 8.190 nan 0.000 0.469 1415 E N 0.114 120.326 120.200 0.021 0.000 2.072 1415 E HA -0.135 4.201 4.350 -0.022 0.000 0.190 1415 E C 1.969 178.559 176.600 -0.017 0.000 0.982 1415 E CA 1.031 57.442 56.400 0.019 0.000 0.803 1415 E CB -0.419 29.305 29.700 0.041 0.000 0.755 1415 E HN 0.583 nan 8.360 nan 0.000 0.453 1416 D N 0.186 120.564 120.400 -0.036 0.000 2.077 1416 D HA -0.137 4.490 4.640 -0.022 0.000 0.193 1416 D C 2.210 178.440 176.300 -0.117 0.000 0.989 1416 D CA 0.918 54.888 54.000 -0.051 0.000 0.831 1416 D CB -0.450 40.345 40.800 -0.008 0.000 0.979 1416 D HN 0.146 nan 8.370 nan 0.000 0.449 1417 L N 0.815 121.866 121.223 -0.286 0.000 2.034 1417 L HA -0.260 4.067 4.340 -0.022 0.000 0.217 1417 L C 2.555 179.324 176.870 -0.168 0.000 1.077 1417 L CA 1.475 56.047 54.840 -0.447 0.000 0.769 1417 L CB -0.644 40.747 42.059 -1.113 0.000 0.890 1417 L HN 0.072 nan 8.230 nan 0.000 0.435 1418 K N 0.228 120.591 120.400 -0.062 0.000 2.020 1418 K HA -0.259 4.048 4.320 -0.022 0.000 0.212 1418 K C 2.202 178.849 176.600 0.078 0.000 1.050 1418 K CA 2.482 58.836 56.287 0.113 0.000 0.929 1418 K CB -0.255 32.300 32.500 0.091 0.000 0.714 1418 K HN 0.505 nan 8.250 nan 0.000 0.443 1419 T N -0.562 114.011 114.554 0.033 0.000 2.881 1419 T HA -0.103 4.233 4.350 -0.022 0.000 0.270 1419 T C 1.902 176.650 174.700 0.080 0.000 1.068 1419 T CA 1.145 63.271 62.100 0.043 0.000 1.131 1419 T CB -0.291 68.587 68.868 0.017 0.000 0.871 1419 T HN 0.237 nan 8.240 nan 0.000 0.479 1420 L N 0.762 122.021 121.223 0.060 0.000 2.465 1420 L HA 0.142 4.469 4.340 -0.022 0.000 0.224 1420 L C 2.060 179.029 176.870 0.165 0.000 1.145 1420 L CA 0.672 55.586 54.840 0.123 0.000 0.834 1420 L CB -0.148 41.930 42.059 0.031 0.000 0.944 1420 L HN 0.308 nan 8.230 nan 0.000 0.451 1421 S N -2.197 113.582 115.700 0.132 0.000 2.603 1421 S HA 0.092 4.549 4.470 -0.022 0.000 0.232 1421 S C 1.339 175.995 174.600 0.094 0.000 1.016 1421 S CA 0.044 58.320 58.200 0.125 0.000 0.976 1421 S CB 0.652 63.971 63.200 0.198 0.000 0.921 1421 S HN 0.353 nan 8.310 nan 0.000 0.516 1422 T N 0.254 114.854 114.554 0.078 0.000 2.964 1422 T HA 0.258 4.594 4.350 -0.022 0.000 0.249 1422 T C 1.282 175.986 174.700 0.007 0.000 1.000 1422 T CA 0.167 62.290 62.100 0.038 0.000 0.992 1422 T CB -0.133 68.750 68.868 0.026 0.000 1.087 1422 T HN 0.361 nan 8.240 nan 0.000 0.489 1423 G N 1.161 109.980 108.800 0.032 0.000 2.732 1423 G HA2 0.281 4.227 3.960 -0.022 0.000 0.244 1423 G HA3 0.281 4.227 3.960 -0.022 0.000 0.244 1423 G C 1.171 176.066 174.900 -0.007 0.000 1.226 1423 G CA -0.377 44.744 45.100 0.034 0.000 0.860 1423 G HN 0.122 nan 8.290 nan 0.000 0.583 1424 V N 0.887 120.813 119.914 0.019 0.000 2.407 1424 V HA -0.096 4.010 4.120 -0.022 0.000 0.248 1424 V C 1.415 177.438 176.094 -0.118 0.000 1.055 1424 V CA 2.128 64.413 62.300 -0.024 0.000 1.049 1424 V CB -0.531 31.311 31.823 0.030 0.000 0.662 1424 V HN 0.836 nan 8.190 nan 0.000 0.455 1425 D N 1.124 121.424 120.400 -0.167 0.000 2.517 1425 D HA 0.070 4.697 4.640 -0.022 0.000 0.220 1425 D C 0.218 176.176 176.300 -0.570 0.000 1.158 1425 D CA -0.243 53.529 54.000 -0.381 0.000 0.992 1425 D CB 0.000 40.553 40.800 -0.413 0.000 1.058 1425 D HN 0.238 nan 8.370 nan 0.000 0.516 1426 R N 1.457 121.752 120.500 -0.342 0.000 2.347 1426 R HA 0.135 4.461 4.340 -0.022 0.000 0.304 1426 R C -0.203 175.911 176.300 -0.310 0.000 1.072 1426 R CA -0.227 55.730 56.100 -0.238 0.000 0.980 1426 R CB 0.662 30.925 30.300 -0.061 0.000 0.986 1426 R HN 0.447 nan 8.270 nan 0.000 0.448 1427 Y N 2.712 122.992 120.300 -0.033 0.000 2.481 1427 Y HA 0.351 4.888 4.550 -0.022 0.000 0.247 1427 Y C 0.312 176.238 175.900 0.043 0.000 1.151 1427 Y CA -0.051 58.028 58.100 -0.034 0.000 1.238 1427 Y CB 0.865 39.210 38.460 -0.191 0.000 1.179 1427 Y HN 0.294 nan 8.280 nan 0.000 0.524 1428 I N -0.820 119.834 120.570 0.140 0.000 2.649 1428 I HA 0.099 4.256 4.170 -0.022 0.000 0.289 1428 I C 0.232 176.322 176.117 -0.044 0.000 1.222 1428 I CA -0.150 61.194 61.300 0.073 0.000 1.046 1428 I CB 2.308 40.374 38.000 0.110 0.000 1.272 1428 I HN -0.170 nan 8.210 nan 0.000 0.425 1429 S N 3.789 119.352 115.700 -0.229 0.000 2.395 1429 S HA 0.031 4.488 4.470 -0.022 0.000 0.225 1429 S C 0.422 174.682 174.600 -0.567 0.000 1.027 1429 S CA 0.907 58.742 58.200 -0.608 0.000 0.965 1429 S CB 0.138 62.444 63.200 -1.490 0.000 0.812 1429 S HN 0.637 nan 8.310 nan 0.000 0.482 1430 K N -0.575 119.619 120.400 -0.343 0.000 2.660 1430 K HA 0.355 4.662 4.320 -0.022 0.000 0.285 1430 K C -2.171 174.546 176.600 0.195 0.000 0.997 1430 K CA -0.841 55.355 56.287 -0.152 0.000 0.861 1430 K CB 1.111 33.429 32.500 -0.304 0.000 1.469 1430 K HN 0.201 nan 8.250 nan 0.000 0.395 1431 Y N -0.422 119.942 120.300 0.107 0.000 2.609 1431 Y HA 0.735 5.272 4.550 -0.022 0.000 0.342 1431 Y C -1.503 174.482 175.900 0.142 0.000 1.058 1431 Y CA -0.786 57.399 58.100 0.143 0.000 1.055 1431 Y CB 1.796 40.254 38.460 -0.003 0.000 1.292 1431 Y HN 0.712 nan 8.280 nan 0.000 0.476 1432 E N 1.978 122.379 120.200 0.336 0.000 2.401 1432 E HA 0.343 4.680 4.350 -0.022 0.000 0.283 1432 E C -1.620 175.080 176.600 0.165 0.000 1.053 1432 E CA -1.121 55.393 56.400 0.190 0.000 0.842 1432 E CB 1.311 31.108 29.700 0.162 0.000 1.222 1432 E HN 0.514 nan 8.360 nan 0.000 0.429 1433 M N 1.683 121.344 119.600 0.102 0.000 2.197 1433 M HA 0.398 4.865 4.480 -0.022 0.000 0.305 1433 M C -0.310 175.994 176.300 0.006 0.000 1.162 1433 M CA -0.402 54.918 55.300 0.034 0.000 1.099 1433 M CB 0.072 32.669 32.600 -0.005 0.000 1.430 1433 M HN 0.766 nan 8.290 nan 0.000 0.481 1434 N N -0.619 118.055 118.700 -0.042 0.000 2.533 1434 N HA 0.328 5.055 4.740 -0.022 0.000 0.289 1434 N C 0.117 175.571 175.510 -0.094 0.000 1.103 1434 N CA -0.296 52.733 53.050 -0.036 0.000 0.877 1434 N CB 1.661 40.147 38.487 -0.001 0.000 1.419 1434 N HN 0.453 nan 8.380 nan 0.000 0.517 1435 R N 0.642 121.099 120.500 -0.072 0.000 2.093 1435 R HA -0.024 4.303 4.340 -0.022 0.000 0.224 1435 R C -0.113 176.235 176.300 0.079 0.000 1.101 1435 R CA 0.919 56.984 56.100 -0.059 0.000 0.979 1435 R CB -0.098 30.206 30.300 0.006 0.000 0.877 1435 R HN 0.651 nan 8.270 nan 0.000 0.441 1436 D N 1.606 122.052 120.400 0.077 0.000 2.600 1436 D HA -0.011 4.616 4.640 -0.022 0.000 0.226 1436 D C -0.896 175.463 176.300 0.098 0.000 1.119 1436 D CA 0.078 54.142 54.000 0.108 0.000 1.051 1436 D CB 0.204 41.066 40.800 0.103 0.000 1.106 1436 D HN 0.018 nan 8.370 nan 0.000 0.491 1437 S N 0.644 116.423 115.700 0.132 0.000 2.652 1437 S HA 0.176 4.633 4.470 -0.022 0.000 0.273 1437 S C 0.764 175.480 174.600 0.193 0.000 1.172 1437 S CA -0.954 57.319 58.200 0.122 0.000 1.009 1437 S CB 1.147 64.390 63.200 0.073 0.000 1.094 1437 S HN 0.073 nan 8.310 nan 0.000 0.471 1438 N N 2.555 121.350 118.700 0.158 0.000 2.225 1438 N HA -0.220 4.507 4.740 -0.022 0.000 0.198 1438 N C 0.164 175.803 175.510 0.215 0.000 0.959 1438 N CA 1.794 54.932 53.050 0.146 0.000 0.915 1438 N CB -0.316 38.239 38.487 0.114 0.000 1.072 1438 N HN 0.717 nan 8.380 nan 0.000 0.620 1439 K N 1.123 121.644 120.400 0.203 0.000 2.203 1439 K HA 0.215 4.522 4.320 -0.022 0.000 0.251 1439 K C -0.397 176.302 176.600 0.166 0.000 0.944 1439 K CA -0.860 55.562 56.287 0.225 0.000 0.829 1439 K CB 1.027 33.610 32.500 0.137 0.000 1.125 1439 K HN -0.095 nan 8.250 nan 0.000 0.430 1440 N N 2.424 121.197 118.700 0.121 0.000 2.418 1440 N HA -0.038 4.689 4.740 -0.022 0.000 0.277 1440 N C -1.075 174.420 175.510 -0.024 0.000 1.317 1440 N CA 0.325 53.281 53.050 -0.156 0.000 0.922 1440 N CB 0.161 38.589 38.487 -0.098 0.000 1.194 1440 N HN 0.594 nan 8.380 nan 0.000 0.485 1441 T N 1.026 115.553 114.554 -0.045 0.000 2.888 1441 T HA 0.545 4.882 4.350 -0.022 0.000 0.284 1441 T C -0.203 174.501 174.700 0.006 0.000 1.017 1441 T CA -1.075 61.033 62.100 0.013 0.000 1.022 1441 T CB 1.601 70.484 68.868 0.025 0.000 1.013 1441 T HN 0.298 nan 8.240 nan 0.000 0.465 1442 L N 2.844 124.082 121.223 0.025 0.000 2.305 1442 L HA 0.704 5.030 4.340 -0.022 0.000 0.284 1442 L C -1.216 175.660 176.870 0.009 0.000 1.013 1442 L CA -0.893 53.958 54.840 0.019 0.000 0.819 1442 L CB 0.599 42.654 42.059 -0.005 0.000 1.227 1442 L HN 0.763 nan 8.230 nan 0.000 0.417 1443 I N 6.174 126.758 120.570 0.024 0.000 2.377 1443 I HA 0.424 4.581 4.170 -0.022 0.000 0.293 1443 I C -0.448 175.670 176.117 0.002 0.000 0.987 1443 I CA -0.241 61.030 61.300 -0.048 0.000 1.185 1443 I CB 1.512 39.456 38.000 -0.094 0.000 1.341 1443 I HN 0.545 nan 8.210 nan 0.000 0.455 1444 I N 6.552 127.078 120.570 -0.074 0.000 2.436 1444 I HA 0.320 4.477 4.170 -0.022 0.000 0.289 1444 I C -1.091 175.018 176.117 -0.013 0.000 1.010 1444 I CA -0.634 60.699 61.300 0.055 0.000 1.098 1444 I CB 1.530 39.548 38.000 0.030 0.000 1.266 1444 I HN 0.418 nan 8.210 nan 0.000 0.434 1445 Y N 6.397 126.704 120.300 0.012 0.000 2.326 1445 Y HA 0.550 5.087 4.550 -0.022 0.000 0.337 1445 Y C -0.152 175.708 175.900 -0.067 0.000 1.023 1445 Y CA -0.855 57.252 58.100 0.012 0.000 1.143 1445 Y CB 1.134 39.662 38.460 0.112 0.000 1.183 1445 Y HN 0.248 nan 8.280 nan 0.000 0.485 1446 L N 2.939 124.237 121.223 0.125 0.000 2.329 1446 L HA 0.357 4.683 4.340 -0.022 0.000 0.279 1446 L C 0.112 177.057 176.870 0.123 0.000 1.014 1446 L CA -0.710 54.182 54.840 0.086 0.000 0.814 1446 L CB 1.685 43.789 42.059 0.074 0.000 1.257 1446 L HN 0.630 nan 8.230 nan 0.000 0.424 1447 D N 1.032 121.493 120.400 0.102 0.000 2.183 1447 D HA -0.062 4.565 4.640 -0.022 0.000 0.203 1447 D C 0.250 176.616 176.300 0.110 0.000 0.969 1447 D CA 1.409 55.497 54.000 0.147 0.000 0.842 1447 D CB 0.375 41.246 40.800 0.118 0.000 0.957 1447 D HN 0.552 nan 8.370 nan 0.000 0.484 1448 K N -2.515 117.938 120.400 0.088 0.000 2.499 1448 K HA 0.645 4.952 4.320 -0.022 0.000 0.284 1448 K C -1.652 174.996 176.600 0.080 0.000 1.039 1448 K CA -0.975 55.346 56.287 0.057 0.000 0.873 1448 K CB 1.633 34.150 32.500 0.029 0.000 1.545 1448 K HN -0.278 nan 8.250 nan 0.000 0.402 1449 V N 0.806 120.760 119.914 0.067 0.000 2.610 1449 V HA 0.398 4.504 4.120 -0.022 0.000 0.298 1449 V C -0.617 175.553 176.094 0.126 0.000 1.067 1449 V CA -0.790 61.590 62.300 0.134 0.000 0.894 1449 V CB 1.663 33.644 31.823 0.264 0.000 1.015 1449 V HN 0.889 nan 8.190 nan 0.000 0.432 1450 S N 3.279 119.043 115.700 0.108 0.000 2.559 1450 S HA 0.013 4.470 4.470 -0.022 0.000 0.282 1450 S C 1.091 175.795 174.600 0.174 0.000 1.336 1450 S CA 0.698 58.952 58.200 0.090 0.000 1.037 1450 S CB 0.184 63.386 63.200 0.003 0.000 0.853 1450 S HN 1.047 nan 8.310 nan 0.000 0.523 1451 H N 1.769 120.878 119.070 0.065 0.000 2.893 1451 H HA 0.252 4.795 4.556 -0.022 0.000 0.270 1451 H C 0.939 176.262 175.328 -0.009 0.000 1.095 1451 H CA 0.463 56.545 56.048 0.057 0.000 1.186 1451 H CB -0.482 29.332 29.762 0.086 0.000 1.562 1451 H HN 0.573 nan 8.280 nan 0.000 0.536 1452 T N 1.576 115.824 114.554 -0.511 0.000 3.115 1452 T HA 0.146 4.482 4.350 -0.022 0.000 0.235 1452 T C 1.352 175.928 174.700 -0.208 0.000 0.999 1452 T CA 1.122 62.943 62.100 -0.465 0.000 1.276 1452 T CB -0.337 68.288 68.868 -0.406 0.000 0.967 1452 T HN 0.245 nan 8.240 nan 0.000 0.420 1453 V N 0.105 119.933 119.914 -0.143 0.000 3.561 1453 V HA 0.574 4.681 4.120 -0.022 0.000 0.290 1453 V C -0.201 175.874 176.094 -0.032 0.000 1.052 1453 V CA -1.122 61.129 62.300 -0.082 0.000 0.973 1453 V CB 1.061 32.833 31.823 -0.084 0.000 1.243 1453 V HN 0.432 nan 8.190 nan 0.000 0.432 1454 E N -0.122 120.078 120.200 -0.001 0.000 2.204 1454 E HA 0.336 4.672 4.350 -0.022 0.000 0.276 1454 E C -1.492 175.158 176.600 0.085 0.000 0.974 1454 E CA -0.725 55.704 56.400 0.048 0.000 0.815 1454 E CB 1.370 31.098 29.700 0.046 0.000 1.119 1454 E HN 0.800 nan 8.360 nan 0.000 0.393 1455 D N 3.168 123.647 120.400 0.133 0.000 2.373 1455 D HA 0.221 4.848 4.640 -0.022 0.000 0.227 1455 D C -0.965 175.458 176.300 0.206 0.000 1.091 1455 D CA -0.218 53.906 54.000 0.206 0.000 0.840 1455 D CB 0.972 41.911 40.800 0.233 0.000 1.060 1455 D HN 0.298 nan 8.370 nan 0.000 0.502 1456 c N 2.647 121.411 118.600 0.273 0.000 2.365 1456 c HA 0.653 5.210 4.570 -0.022 0.000 0.349 1456 c C -0.478 173.694 174.090 0.138 0.000 1.191 1456 c CA -0.417 56.029 56.329 0.196 0.000 2.114 1456 c CB 0.579 43.232 42.510 0.239 0.000 2.367 1456 c HN 0.464 nan 8.230 nan 0.000 0.530 1457 L N 2.728 123.939 121.223 -0.020 0.000 2.455 1457 L HA 0.632 4.959 4.340 -0.022 0.000 0.264 1457 L C -0.306 176.423 176.870 -0.235 0.000 0.968 1457 L CA 0.344 55.125 54.840 -0.097 0.000 0.827 1457 L CB 2.000 44.073 42.059 0.023 0.000 1.317 1457 L HN 0.690 nan 8.230 nan 0.000 0.407 1458 S N 3.294 118.829 115.700 -0.275 0.000 2.536 1458 S HA 0.954 5.411 4.470 -0.022 0.000 0.287 1458 S C -1.321 173.144 174.600 -0.226 0.000 1.101 1458 S CA -0.363 57.613 58.200 -0.374 0.000 0.950 1458 S CB 0.959 63.963 63.200 -0.327 0.000 1.056 1458 S HN 0.483 nan 8.310 nan 0.000 0.481 1459 F N 0.301 120.135 119.950 -0.194 0.000 2.744 1459 F HA 0.595 5.109 4.527 -0.022 0.000 0.311 1459 F C -1.278 174.417 175.800 -0.174 0.000 1.144 1459 F CA -1.203 56.688 58.000 -0.182 0.000 0.938 1459 F CB 0.602 39.488 39.000 -0.190 0.000 1.292 1459 F HN 0.458 nan 8.300 nan 0.000 0.444 1460 K N 1.630 122.086 120.400 0.093 0.000 2.144 1460 K HA 0.706 5.012 4.320 -0.022 0.000 0.270 1460 K C -1.062 175.486 176.600 -0.088 0.000 1.005 1460 K CA -0.989 55.261 56.287 -0.060 0.000 0.932 1460 K CB 2.085 34.509 32.500 -0.126 0.000 1.021 1460 K HN 0.692 nan 8.250 nan 0.000 0.462 1461 V N 0.196 120.039 119.914 -0.118 0.000 2.443 1461 V HA 0.348 4.455 4.120 -0.022 0.000 0.293 1461 V C -0.472 175.650 176.094 0.047 0.000 1.021 1461 V CA -1.032 61.266 62.300 -0.003 0.000 0.848 1461 V CB 1.111 33.032 31.823 0.164 0.000 0.998 1461 V HN 0.671 nan 8.190 nan 0.000 0.424 1462 H N 3.257 122.464 119.070 0.228 0.000 2.505 1462 H HA 0.526 5.069 4.556 -0.022 0.000 0.355 1462 H C -0.452 174.765 175.328 -0.184 0.000 1.179 1462 H CA -0.238 55.801 56.048 -0.015 0.000 1.343 1462 H CB 1.944 31.547 29.762 -0.265 0.000 1.501 1462 H HN 0.876 nan 8.280 nan 0.000 0.569 1463 Q N 1.368 120.911 119.800 -0.427 0.000 2.331 1463 Q HA 0.193 4.519 4.340 -0.022 0.000 0.267 1463 Q C -0.865 174.784 176.000 -0.585 0.000 1.006 1463 Q CA -0.542 54.775 55.803 -0.810 0.000 0.818 1463 Q CB 0.712 28.776 28.738 -1.124 0.000 1.276 1463 Q HN 0.613 nan 8.270 nan 0.000 0.450 1464 Y N 2.874 123.050 120.300 -0.206 0.000 2.458 1464 Y HA 0.319 4.855 4.550 -0.022 0.000 0.256 1464 Y C -0.671 174.835 175.900 -0.656 0.000 1.159 1464 Y CA -0.056 57.838 58.100 -0.343 0.000 1.261 1464 Y CB 0.818 39.075 38.460 -0.338 0.000 1.119 1464 Y HN 0.430 nan 8.280 nan 0.000 0.524 1465 F N -0.101 119.834 119.950 -0.025 0.000 2.569 1465 F HA 0.342 4.856 4.527 -0.022 0.000 0.312 1465 F C -0.448 175.314 175.800 -0.063 0.000 1.109 1465 F CA -1.570 56.416 58.000 -0.023 0.000 0.919 1465 F CB 1.069 40.069 39.000 0.001 0.000 1.211 1465 F HN -0.225 nan 8.300 nan 0.000 0.446 1466 N N 2.534 121.309 118.700 0.124 0.000 2.405 1466 N HA 0.273 4.999 4.740 -0.022 0.000 0.260 1466 N C -0.869 174.695 175.510 0.091 0.000 1.152 1466 N CA 0.096 53.187 53.050 0.068 0.000 0.948 1466 N CB 1.473 39.986 38.487 0.043 0.000 1.111 1466 N HN 0.228 nan 8.380 nan 0.000 0.485 1467 V N 0.756 120.717 119.914 0.078 0.000 2.555 1467 V HA 0.650 4.757 4.120 -0.022 0.000 0.302 1467 V C 0.716 176.850 176.094 0.067 0.000 1.038 1467 V CA -0.933 61.410 62.300 0.072 0.000 0.887 1467 V CB 1.993 33.864 31.823 0.080 0.000 0.991 1467 V HN 0.672 nan 8.190 nan 0.000 0.434 1468 G N 2.888 111.719 108.800 0.051 0.000 2.415 1468 G HA2 0.594 4.541 3.960 -0.022 0.000 0.327 1468 G HA3 0.594 4.541 3.960 -0.022 0.000 0.327 1468 G C -0.244 174.682 174.900 0.044 0.000 1.182 1468 G CA -0.748 44.380 45.100 0.046 0.000 0.924 1468 G HN 0.935 nan 8.290 nan 0.000 0.470 1469 L N 0.972 122.225 121.223 0.050 0.000 3.608 1469 L HA -0.158 4.169 4.340 -0.022 0.000 0.422 1469 L C 0.640 177.552 176.870 0.070 0.000 1.260 1469 L CA -0.213 54.657 54.840 0.051 0.000 0.889 1469 L CB -1.468 40.614 42.059 0.038 0.000 1.821 1469 L HN 0.607 nan 8.230 nan 0.000 0.884 1470 I N 1.068 121.695 120.570 0.094 0.000 2.648 1470 I HA 0.025 4.181 4.170 -0.022 0.000 0.284 1470 I C 1.065 177.192 176.117 0.017 0.000 1.153 1470 I CA 0.118 61.458 61.300 0.067 0.000 1.426 1470 I CB 0.532 38.593 38.000 0.102 0.000 1.381 1470 I HN 0.209 nan 8.210 nan 0.000 0.571 1471 Q N 8.395 128.158 119.800 -0.060 0.000 2.260 1471 Q HA 0.421 4.747 4.340 -0.022 0.000 0.242 1471 Q C -2.220 173.557 176.000 -0.371 0.000 0.932 1471 Q CA -1.723 53.998 55.803 -0.136 0.000 0.891 1471 Q CB 0.896 29.590 28.738 -0.073 0.000 1.222 1471 Q HN 0.437 nan 8.270 nan 0.000 0.453 1472 P HA 0.084 nan 4.420 nan 0.000 0.272 1472 P C -0.192 176.858 177.300 -0.417 0.000 1.223 1472 P CA -0.047 62.704 63.100 -0.583 0.000 0.784 1472 P CB 0.691 32.206 31.700 -0.309 0.000 0.923 1473 G N 0.149 108.469 108.800 -0.800 0.000 2.535 1473 G HA2 0.613 4.560 3.960 -0.022 0.000 0.303 1473 G HA3 0.613 4.560 3.960 -0.022 0.000 0.303 1473 G C -1.201 173.634 174.900 -0.108 0.000 1.237 1473 G CA -0.522 44.177 45.100 -0.669 0.000 0.986 1473 G HN 0.710 nan 8.290 nan 0.000 0.494 1474 A N -1.383 121.624 122.820 0.312 0.000 2.520 1474 A HA 0.637 4.944 4.320 -0.022 0.000 0.298 1474 A C -1.380 176.279 177.584 0.125 0.000 1.051 1474 A CA -0.426 51.737 52.037 0.210 0.000 0.690 1474 A CB 2.014 21.078 19.000 0.108 0.000 1.281 1474 A HN 1.110 nan 8.150 nan 0.000 0.402 1475 V N 2.677 122.553 119.914 -0.063 0.000 2.376 1475 V HA 0.419 4.526 4.120 -0.022 0.000 0.287 1475 V C 0.048 176.048 176.094 -0.158 0.000 1.015 1475 V CA -0.527 61.710 62.300 -0.105 0.000 0.834 1475 V CB 1.348 33.078 31.823 -0.154 0.000 1.001 1475 V HN 0.888 nan 8.190 nan 0.000 0.428 1476 K N 3.673 124.002 120.400 -0.117 0.000 2.138 1476 K HA 0.800 5.107 4.320 -0.022 0.000 0.263 1476 K C -1.502 175.004 176.600 -0.157 0.000 0.965 1476 K CA -0.465 55.762 56.287 -0.099 0.000 0.868 1476 K CB 2.229 34.727 32.500 -0.003 0.000 1.083 1476 K HN 0.470 nan 8.250 nan 0.000 0.443 1477 V N 5.659 125.443 119.914 -0.217 0.000 2.709 1477 V HA 0.671 4.778 4.120 -0.022 0.000 0.308 1477 V C -1.986 173.807 176.094 -0.502 0.000 1.062 1477 V CA -0.379 61.645 62.300 -0.460 0.000 0.901 1477 V CB 1.418 32.934 31.823 -0.513 0.000 1.003 1477 V HN 0.873 nan 8.190 nan 0.000 0.425 1478 Y N 2.221 122.222 120.300 -0.499 0.000 2.656 1478 Y HA 0.746 5.283 4.550 -0.022 0.000 0.334 1478 Y C -0.500 175.236 175.900 -0.272 0.000 1.179 1478 Y CA -1.086 56.773 58.100 -0.401 0.000 1.050 1478 Y CB 1.213 39.534 38.460 -0.231 0.000 1.308 1478 Y HN 0.576 nan 8.280 nan 0.000 0.456 1479 S N 0.961 116.777 115.700 0.194 0.000 2.523 1479 S HA 0.142 4.599 4.470 -0.022 0.000 0.275 1479 S C 0.437 175.151 174.600 0.190 0.000 1.281 1479 S CA -0.343 57.984 58.200 0.211 0.000 1.050 1479 S CB 0.132 63.500 63.200 0.280 0.000 0.937 1479 S HN 0.759 nan 8.310 nan 0.000 0.492 1480 Y N 4.762 125.053 120.300 -0.014 0.000 2.181 1480 Y HA -0.085 4.452 4.550 -0.022 0.000 0.288 1480 Y C 0.628 176.255 175.900 -0.455 0.000 1.146 1480 Y CA 1.702 59.676 58.100 -0.210 0.000 1.164 1480 Y CB -0.066 38.124 38.460 -0.449 0.000 0.982 1480 Y HN 0.871 nan 8.280 nan 0.000 0.515 1481 Y N -0.087 120.267 120.300 0.089 0.000 2.718 1481 Y HA 0.214 4.751 4.550 -0.022 0.000 0.322 1481 Y C -0.004 175.625 175.900 -0.451 0.000 1.122 1481 Y CA -0.175 57.850 58.100 -0.124 0.000 1.348 1481 Y CB -0.066 38.332 38.460 -0.103 0.000 1.174 1481 Y HN 0.062 nan 8.280 nan 0.000 0.523 1482 N N 0.238 118.791 118.700 -0.246 0.000 3.506 1482 N HA 0.044 4.770 4.740 -0.022 0.000 0.174 1482 N C -0.092 175.345 175.510 -0.123 0.000 1.488 1482 N CA -0.013 52.881 53.050 -0.260 0.000 0.834 1482 N CB -0.324 38.052 38.487 -0.185 0.000 1.677 1482 N HN 0.229 nan 8.380 nan 0.000 0.654 1483 L N -0.533 120.510 121.223 -0.300 0.000 2.556 1483 L HA -0.117 4.210 4.340 -0.022 0.000 0.230 1483 L C 0.904 177.756 176.870 -0.031 0.000 1.163 1483 L CA 0.890 55.551 54.840 -0.298 0.000 0.819 1483 L CB -0.218 41.453 42.059 -0.647 0.000 0.939 1483 L HN 0.343 nan 8.230 nan 0.000 0.452 1484 D N 0.407 120.838 120.400 0.052 0.000 2.183 1484 D HA -0.080 4.546 4.640 -0.022 0.000 0.203 1484 D C 0.598 176.988 176.300 0.151 0.000 0.969 1484 D CA 0.767 54.832 54.000 0.108 0.000 0.842 1484 D CB 0.127 40.979 40.800 0.086 0.000 0.957 1484 D HN 0.418 nan 8.370 nan 0.000 0.484 1485 E N 0.383 120.717 120.200 0.224 0.000 1.941 1485 E HA 0.299 4.635 4.350 -0.022 0.000 0.275 1485 E C -0.221 176.642 176.600 0.438 0.000 1.113 1485 E CA -0.028 56.600 56.400 0.379 0.000 0.878 1485 E CB 1.066 31.067 29.700 0.502 0.000 1.070 1485 E HN -0.112 nan 8.360 nan 0.000 0.399 1486 T N 1.378 116.128 114.554 0.326 0.000 2.830 1486 T HA 0.396 4.733 4.350 -0.022 0.000 0.322 1486 T C -1.826 172.948 174.700 0.125 0.000 1.501 1486 T CA -0.515 61.681 62.100 0.160 0.000 1.036 1486 T CB 1.595 70.536 68.868 0.122 0.000 1.379 1486 T HN 0.580 nan 8.240 nan 0.000 0.493 1487 c N 3.600 122.213 118.600 0.022 0.000 3.173 1487 c HA 0.902 5.459 4.570 -0.022 0.000 0.310 1487 c C -1.501 172.556 174.090 -0.056 0.000 1.306 1487 c CA -0.628 55.714 56.329 0.021 0.000 1.426 1487 c CB 0.795 43.343 42.510 0.065 0.000 1.800 1487 c HN 0.997 nan 8.230 nan 0.000 0.470 1488 I N 3.837 124.357 120.570 -0.083 0.000 2.571 1488 I HA 0.688 4.845 4.170 -0.022 0.000 0.289 1488 I C -1.168 174.757 176.117 -0.320 0.000 1.115 1488 I CA -0.253 60.921 61.300 -0.210 0.000 1.045 1488 I CB 1.263 39.127 38.000 -0.226 0.000 1.238 1488 I HN 0.751 nan 8.210 nan 0.000 0.424 1489 R N 5.186 125.450 120.500 -0.394 0.000 2.854 1489 R HA 0.696 5.023 4.340 -0.022 0.000 0.271 1489 R C -1.738 174.267 176.300 -0.492 0.000 0.994 1489 R CA -0.363 55.536 56.100 -0.335 0.000 0.945 1489 R CB 1.771 32.009 30.300 -0.104 0.000 1.194 1489 R HN 0.406 nan 8.270 nan 0.000 0.476 1490 F N 1.602 121.617 119.950 0.109 0.000 2.492 1490 F HA 0.473 4.987 4.527 -0.022 0.000 0.327 1490 F C -0.343 175.573 175.800 0.194 0.000 1.079 1490 F CA -0.709 57.372 58.000 0.135 0.000 0.967 1490 F CB 1.291 40.323 39.000 0.053 0.000 1.169 1490 F HN 0.416 nan 8.300 nan 0.000 0.472 1491 Y N -0.005 120.370 120.300 0.125 0.000 2.391 1491 Y HA 0.698 5.235 4.550 -0.022 0.000 0.341 1491 Y C -1.159 174.749 175.900 0.013 0.000 0.965 1491 Y CA -0.943 57.181 58.100 0.040 0.000 1.067 1491 Y CB 1.224 39.654 38.460 -0.051 0.000 1.199 1491 Y HN 0.597 nan 8.280 nan 0.000 0.450 1492 H N 3.631 122.716 119.070 0.025 0.000 2.768 1492 H HA 0.573 5.116 4.556 -0.022 0.000 0.371 1492 H C -2.748 172.573 175.328 -0.012 0.000 1.151 1492 H CA -2.312 53.703 56.048 -0.056 0.000 1.165 1492 H CB 3.051 32.790 29.762 -0.038 0.000 1.722 1492 H HN 0.594 nan 8.280 nan 0.000 0.543 1493 P HA 0.144 nan 4.420 nan 0.000 0.312 1493 P C -0.702 176.664 177.300 0.109 0.000 1.308 1493 P CA -0.573 62.620 63.100 0.154 0.000 0.743 1493 P CB 0.901 32.682 31.700 0.136 0.000 1.364 1494 D N -0.041 120.392 120.400 0.056 0.000 2.304 1494 D HA 0.026 4.653 4.640 -0.022 0.000 0.247 1494 D C 0.935 177.222 176.300 -0.021 0.000 1.089 1494 D CA -0.262 53.743 54.000 0.007 0.000 0.910 1494 D CB 0.627 41.433 40.800 0.010 0.000 1.199 1494 D HN 0.444 nan 8.370 nan 0.000 0.426 1495 K N 0.340 120.707 120.400 -0.056 0.000 2.588 1495 K HA -0.189 4.117 4.320 -0.022 0.000 0.196 1495 K C 0.549 177.130 176.600 -0.032 0.000 1.044 1495 K CA 1.439 57.686 56.287 -0.066 0.000 0.934 1495 K CB 0.081 32.542 32.500 -0.066 0.000 0.773 1495 K HN 0.380 nan 8.250 nan 0.000 0.489 1496 E N 0.330 120.523 120.200 -0.012 0.000 2.562 1496 E HA -0.003 4.333 4.350 -0.022 0.000 0.214 1496 E C 0.364 176.973 176.600 0.015 0.000 0.979 1496 E CA -0.117 56.283 56.400 0.001 0.000 1.002 1496 E CB 0.447 30.149 29.700 0.003 0.000 1.048 1496 E HN 0.345 nan 8.360 nan 0.000 0.488 1497 D N 0.790 121.206 120.400 0.027 0.000 2.309 1497 D HA -0.100 4.527 4.640 -0.022 0.000 0.212 1497 D C 1.451 177.777 176.300 0.044 0.000 0.968 1497 D CA 1.261 55.290 54.000 0.048 0.000 0.882 1497 D CB -0.002 40.846 40.800 0.081 0.000 0.918 1497 D HN 0.390 nan 8.370 nan 0.000 0.503 1498 G N 0.731 109.549 108.800 0.030 0.000 2.166 1498 G HA2 -0.375 3.572 3.960 -0.022 0.000 0.260 1498 G HA3 -0.375 3.572 3.960 -0.022 0.000 0.260 1498 G C 0.903 175.827 174.900 0.041 0.000 0.986 1498 G CA 0.588 45.703 45.100 0.026 0.000 0.683 1498 G HN 0.354 nan 8.290 nan 0.000 0.527 1499 M N -0.477 119.161 119.600 0.063 0.000 2.659 1499 M HA 0.255 4.722 4.480 -0.022 0.000 0.243 1499 M C 1.895 178.240 176.300 0.075 0.000 1.111 1499 M CA 0.670 56.023 55.300 0.089 0.000 1.070 1499 M CB 0.092 32.779 32.600 0.144 0.000 1.525 1499 M HN 0.309 nan 8.290 nan 0.000 0.517 1500 L N 0.020 121.267 121.223 0.040 0.000 2.653 1500 L HA 0.189 4.516 4.340 -0.022 0.000 0.231 1500 L C 0.751 177.627 176.870 0.011 0.000 1.153 1500 L CA 0.073 54.920 54.840 0.012 0.000 0.933 1500 L CB -0.118 41.931 42.059 -0.017 0.000 1.175 1500 L HN 0.054 nan 8.230 nan 0.000 0.473 1501 S N 0.375 116.090 115.700 0.024 0.000 2.519 1501 S HA 0.100 4.557 4.470 -0.022 0.000 0.320 1501 S C 0.227 174.837 174.600 0.016 0.000 1.179 1501 S CA -0.472 57.739 58.200 0.019 0.000 1.173 1501 S CB -0.665 62.552 63.200 0.029 0.000 1.224 1501 S HN 0.370 nan 8.310 nan 0.000 0.542 1502 K N 2.393 122.795 120.400 0.002 0.000 2.466 1502 K HA 0.024 4.331 4.320 -0.022 0.000 0.278 1502 K C 0.398 177.002 176.600 0.007 0.000 1.048 1502 K CA -0.297 55.989 56.287 -0.002 0.000 1.088 1502 K CB 0.270 32.758 32.500 -0.020 0.000 0.884 1502 K HN 0.464 nan 8.250 nan 0.000 0.478 1503 L N 3.745 124.980 121.223 0.020 0.000 2.509 1503 L HA 0.002 4.328 4.340 -0.022 0.000 0.222 1503 L C 0.616 177.514 176.870 0.047 0.000 1.123 1503 L CA 0.502 55.363 54.840 0.036 0.000 0.856 1503 L CB -0.185 41.899 42.059 0.042 0.000 0.985 1503 L HN 0.760 nan 8.230 nan 0.000 0.456 1504 c N -0.887 117.733 118.600 0.032 0.000 2.652 1504 c HA 0.325 4.881 4.570 -0.022 0.000 0.412 1504 c C 0.867 174.987 174.090 0.050 0.000 1.294 1504 c CA -0.911 55.444 56.329 0.044 0.000 2.127 1504 c CB -0.036 42.486 42.510 0.019 0.000 2.691 1504 c HN 0.395 nan 8.230 nan 0.000 0.615 1505 H N 0.517 119.592 119.070 0.007 0.000 2.858 1505 H HA 0.421 4.963 4.556 -0.022 0.000 0.318 1505 H C -0.275 175.056 175.328 0.006 0.000 1.419 1505 H CA -0.603 55.449 56.048 0.006 0.000 1.373 1505 H CB 1.085 30.850 29.762 0.005 0.000 1.915 1505 H HN 0.732 nan 8.280 nan 0.000 0.704 1506 K N 1.206 121.789 120.400 0.305 0.000 2.513 1506 K HA -0.172 4.134 4.320 -0.022 0.000 0.275 1506 K C -0.182 176.490 176.600 0.120 0.000 1.025 1506 K CA 1.354 57.756 56.287 0.193 0.000 1.125 1506 K CB 0.097 32.759 32.500 0.271 0.000 0.843 1506 K HN 0.551 nan 8.250 nan 0.000 0.486 1507 D N 0.756 121.195 120.400 0.064 0.000 2.978 1507 D HA -0.175 4.452 4.640 -0.022 0.000 0.205 1507 D C 0.479 176.801 176.300 0.037 0.000 1.093 1507 D CA 2.063 56.089 54.000 0.044 0.000 1.006 1507 D CB -0.965 39.861 40.800 0.042 0.000 1.116 1507 D HN 0.663 nan 8.370 nan 0.000 0.419 1508 T N -1.777 112.804 114.554 0.044 0.000 3.001 1508 T HA 0.110 4.447 4.350 -0.022 0.000 0.251 1508 T C 1.730 176.444 174.700 0.023 0.000 1.040 1508 T CA 0.628 62.751 62.100 0.039 0.000 0.985 1508 T CB 0.447 69.346 68.868 0.051 0.000 1.011 1508 T HN 0.338 nan 8.240 nan 0.000 0.509 1509 c N 1.027 119.634 118.600 0.013 0.000 2.518 1509 c HA 0.221 4.778 4.570 -0.022 0.000 0.283 1509 c C 2.820 176.898 174.090 -0.020 0.000 1.351 1509 c CA -0.122 56.200 56.329 -0.012 0.000 1.745 1509 c CB -0.477 42.016 42.510 -0.028 0.000 2.107 1509 c HN 0.435 nan 8.230 nan 0.000 0.502 1510 R N 0.991 121.490 120.500 -0.003 0.000 2.127 1510 R HA -0.165 4.162 4.340 -0.022 0.000 0.238 1510 R C 2.162 178.454 176.300 -0.012 0.000 1.134 1510 R CA 1.956 58.056 56.100 -0.001 0.000 0.975 1510 R CB -1.241 29.072 30.300 0.021 0.000 0.865 1510 R HN 0.601 nan 8.270 nan 0.000 0.447 1511 c N 0.742 119.340 118.600 -0.004 0.000 2.429 1511 c HA 0.131 4.687 4.570 -0.022 0.000 0.277 1511 c C 2.021 176.091 174.090 -0.033 0.000 1.262 1511 c CA 0.933 57.260 56.329 -0.003 0.000 1.733 1511 c CB -1.021 41.500 42.510 0.019 0.000 2.010 1511 c HN 0.519 nan 8.230 nan 0.000 0.483 1512 A N 0.190 122.981 122.820 -0.048 0.000 3.019 1512 A HA 0.316 4.622 4.320 -0.022 0.000 0.262 1512 A C 1.219 178.720 177.584 -0.139 0.000 1.509 1512 A CA 0.247 52.234 52.037 -0.083 0.000 1.159 1512 A CB -0.454 18.505 19.000 -0.068 0.000 1.042 1512 A HN 0.745 nan 8.150 nan 0.000 0.641 1513 E N -0.586 119.517 120.200 -0.161 0.000 2.500 1513 E HA -0.024 4.313 4.350 -0.022 0.000 0.217 1513 E C 0.903 177.301 176.600 -0.336 0.000 0.848 1513 E CA 0.029 56.259 56.400 -0.284 0.000 1.217 1513 E CB -0.041 29.532 29.700 -0.211 0.000 1.217 1513 E HN 0.610 nan 8.360 nan 0.000 0.573 1514 E N 1.785 121.876 120.200 -0.181 0.000 2.086 1514 E HA -0.214 4.122 4.350 -0.022 0.000 0.200 1514 E C 1.572 178.062 176.600 -0.183 0.000 1.012 1514 E CA 1.339 57.665 56.400 -0.124 0.000 0.812 1514 E CB -0.500 29.167 29.700 -0.055 0.000 0.743 1514 E HN 0.362 nan 8.360 nan 0.000 0.453 1515 N N 0.507 119.092 118.700 -0.192 0.000 2.084 1515 N HA -0.140 4.587 4.740 -0.022 0.000 0.190 1515 N C 2.129 177.479 175.510 -0.267 0.000 1.030 1515 N CA 1.641 54.582 53.050 -0.181 0.000 0.849 1515 N CB -0.427 37.966 38.487 -0.157 0.000 1.012 1515 N HN 0.107 nan 8.380 nan 0.000 0.423 1516 c N 0.216 118.557 118.600 -0.431 0.000 2.349 1516 c HA -0.139 4.418 4.570 -0.022 0.000 0.274 1516 c C 0.742 174.465 174.090 -0.613 0.000 1.178 1516 c CA 1.070 57.027 56.329 -0.621 0.000 1.769 1516 c CB -1.444 40.402 42.510 -1.107 0.000 2.047 1516 c HN 0.524 nan 8.230 nan 0.000 0.448 1527 L N 1.958 123.191 121.223 0.016 0.000 2.189 1527 L HA -0.158 4.169 4.340 -0.022 0.000 0.214 1527 L C 2.302 179.165 176.870 -0.012 0.000 1.097 1527 L CA 2.519 57.405 54.840 0.077 0.000 0.764 1527 L CB -0.151 41.943 42.059 0.058 0.000 0.900 1527 L HN 0.614 nan 8.230 nan 0.000 0.436 1528 E N -2.593 117.571 120.200 -0.060 0.000 2.372 1528 E HA -0.087 4.250 4.350 -0.022 0.000 0.201 1528 E C 1.312 177.835 176.600 -0.128 0.000 0.938 1528 E CA 0.139 56.470 56.400 -0.115 0.000 0.944 1528 E CB -0.178 29.472 29.700 -0.084 0.000 0.937 1528 E HN 0.340 nan 8.360 nan 0.000 0.495 1529 D N 2.212 122.557 120.400 -0.091 0.000 2.218 1529 D HA -0.140 4.487 4.640 -0.022 0.000 0.204 1529 D C 1.936 178.167 176.300 -0.116 0.000 0.976 1529 D CA 1.151 55.099 54.000 -0.086 0.000 0.853 1529 D CB -0.073 40.692 40.800 -0.058 0.000 0.939 1529 D HN 0.413 nan 8.370 nan 0.000 0.481 1530 R N 0.389 120.798 120.500 -0.152 0.000 2.276 1530 R HA 0.114 4.441 4.340 -0.022 0.000 0.196 1530 R C 1.893 177.919 176.300 -0.456 0.000 0.961 1530 R CA 0.210 56.160 56.100 -0.249 0.000 1.024 1530 R CB -0.294 29.886 30.300 -0.200 0.000 0.940 1530 R HN 0.162 nan 8.270 nan 0.000 0.480 1531 L N 0.801 121.764 121.223 -0.433 0.000 2.592 1531 L HA 0.133 4.460 4.340 -0.022 0.000 0.227 1531 L C 0.917 177.587 176.870 -0.334 0.000 1.127 1531 L CA 0.208 54.744 54.840 -0.506 0.000 0.884 1531 L CB 0.015 41.748 42.059 -0.544 0.000 1.065 1531 L HN 0.114 nan 8.230 nan 0.000 0.457 1532 D N 0.167 120.423 120.400 -0.239 0.000 2.338 1532 D HA -0.052 4.574 4.640 -0.022 0.000 0.224 1532 D C 1.794 178.022 176.300 -0.120 0.000 0.967 1532 D CA 0.691 54.599 54.000 -0.154 0.000 0.896 1532 D CB 0.510 41.246 40.800 -0.107 0.000 1.028 1532 D HN -0.010 nan 8.370 nan 0.000 0.493 1533 K N 0.919 121.259 120.400 -0.100 0.000 2.418 1533 K HA 0.152 4.459 4.320 -0.022 0.000 0.195 1533 K C 1.451 178.072 176.600 0.034 0.000 1.035 1533 K CA 0.191 56.482 56.287 0.006 0.000 1.003 1533 K CB 0.081 32.635 32.500 0.089 0.000 0.793 1533 K HN -0.015 nan 8.250 nan 0.000 0.494 1534 A N -1.151 121.557 122.820 -0.188 0.000 2.178 1534 A HA -0.024 4.283 4.320 -0.022 0.000 0.211 1534 A C 1.820 179.259 177.584 -0.242 0.000 1.157 1534 A CA 0.583 52.435 52.037 -0.309 0.000 0.780 1534 A CB -0.338 18.235 19.000 -0.712 0.000 0.828 1534 A HN 0.366 nan 8.150 nan 0.000 0.476 1535 c N 0.420 118.890 118.600 -0.217 0.000 2.926 1535 c HA 0.215 4.771 4.570 -0.022 0.000 0.272 1535 c C 0.912 174.940 174.090 -0.105 0.000 1.249 1535 c CA -0.627 55.575 56.329 -0.212 0.000 1.691 1535 c CB -1.194 41.192 42.510 -0.206 0.000 1.983 1535 c HN 0.541 nan 8.230 nan 0.000 0.615 1536 E N 1.577 121.746 120.200 -0.052 0.000 2.459 1536 E HA -0.034 4.302 4.350 -0.022 0.000 0.264 1536 E C -1.876 174.724 176.600 0.000 0.000 1.055 1536 E CA -0.375 56.019 56.400 -0.010 0.000 0.957 1536 E CB 0.261 29.976 29.700 0.025 0.000 0.952 1536 E HN 0.221 nan 8.360 nan 0.000 0.448 1537 P HA 0.034 nan 4.420 nan 0.000 0.271 1537 P C 0.219 177.541 177.300 0.036 0.000 1.535 1537 P CA 0.384 63.496 63.100 0.020 0.000 0.820 1537 P CB 0.042 31.754 31.700 0.020 0.000 1.606 1538 G N -1.741 107.087 108.800 0.045 0.000 3.443 1538 G HA2 0.152 4.099 3.960 -0.022 0.000 0.252 1538 G HA3 0.152 4.099 3.960 -0.022 0.000 0.252 1538 G C 0.017 174.964 174.900 0.079 0.000 1.015 1538 G CA 0.098 45.236 45.100 0.064 0.000 0.891 1538 G HN 0.097 nan 8.290 nan 0.000 0.510 1539 V N 0.769 120.725 119.914 0.071 0.000 2.743 1539 V HA 0.481 4.587 4.120 -0.022 0.000 0.301 1539 V C 0.115 176.257 176.094 0.081 0.000 1.057 1539 V CA -0.334 62.015 62.300 0.080 0.000 1.006 1539 V CB 1.856 33.732 31.823 0.089 0.000 1.024 1539 V HN 0.126 nan 8.190 nan 0.000 0.473 1540 D N 0.425 120.895 120.400 0.118 0.000 2.480 1540 D HA 0.148 4.775 4.640 -0.022 0.000 0.276 1540 D C -0.854 175.638 176.300 0.321 0.000 1.294 1540 D CA 0.330 54.449 54.000 0.199 0.000 0.829 1540 D CB 1.241 42.190 40.800 0.248 0.000 1.242 1540 D HN 0.690 nan 8.370 nan 0.000 0.513 1541 Y N -0.918 119.497 120.300 0.192 0.000 2.480 1541 Y HA 0.604 5.141 4.550 -0.022 0.000 0.329 1541 Y C -1.942 173.993 175.900 0.058 0.000 1.127 1541 Y CA -1.116 57.071 58.100 0.144 0.000 1.037 1541 Y CB 0.984 39.754 38.460 0.516 0.000 1.320 1541 Y HN -0.295 nan 8.280 nan 0.000 0.446 1542 V N 4.900 124.689 119.914 -0.208 0.000 2.655 1542 V HA 0.553 4.660 4.120 -0.022 0.000 0.301 1542 V C -1.422 174.453 176.094 -0.365 0.000 1.082 1542 V CA -0.892 61.353 62.300 -0.093 0.000 0.899 1542 V CB 1.207 33.015 31.823 -0.026 0.000 1.014 1542 V HN 0.832 nan 8.190 nan 0.000 0.429 1543 Y N 1.723 122.218 120.300 0.325 0.000 2.644 1543 Y HA 0.571 5.111 4.550 -0.017 0.000 0.338 1543 Y C 0.405 176.414 175.900 0.182 0.000 1.119 1543 Y CA -1.176 57.059 58.100 0.225 0.000 1.060 1543 Y CB 1.949 40.522 38.460 0.189 0.000 1.294 1543 Y HN 0.389 nan 8.280 nan 0.000 0.472 1544 K N 1.877 122.429 120.400 0.254 0.000 3.010 1544 K HA 0.168 4.475 4.320 -0.022 0.000 0.211 1544 K C -0.471 176.140 176.600 0.019 0.000 1.146 1544 K CA 0.001 56.312 56.287 0.041 0.000 1.070 1544 K CB -0.121 32.244 32.500 -0.225 0.000 0.908 1544 K HN 0.967 nan 8.250 nan 0.000 0.463 1545 T N -0.635 113.974 114.554 0.092 0.000 2.785 1545 T HA -0.029 4.308 4.350 -0.022 0.000 0.341 1545 T C 0.246 174.909 174.700 -0.062 0.000 1.093 1545 T CA -0.192 61.905 62.100 -0.004 0.000 1.103 1545 T CB 0.998 69.826 68.868 -0.067 0.000 1.011 1545 T HN 0.404 nan 8.240 nan 0.000 0.549 1546 R N 1.605 122.023 120.500 -0.136 0.000 2.514 1546 R HA 0.467 4.794 4.340 -0.022 0.000 0.296 1546 R C -0.722 175.523 176.300 -0.092 0.000 1.012 1546 R CA -0.872 55.083 56.100 -0.242 0.000 0.897 1546 R CB 1.159 31.085 30.300 -0.623 0.000 1.184 1546 R HN 0.819 nan 8.270 nan 0.000 0.440 1547 L N 6.139 127.384 121.223 0.037 0.000 2.513 1547 L HA 0.102 4.429 4.340 -0.022 0.000 0.272 1547 L C 0.655 177.539 176.870 0.023 0.000 1.187 1547 L CA 0.375 55.244 54.840 0.048 0.000 0.895 1547 L CB 0.713 42.831 42.059 0.100 0.000 1.147 1547 L HN 0.855 nan 8.230 nan 0.000 0.483 1548 I N 2.150 122.736 120.570 0.028 0.000 3.718 1548 I HA 0.146 4.302 4.170 -0.022 0.000 0.297 1548 I C 0.099 176.239 176.117 0.038 0.000 1.220 1548 I CA 0.129 61.440 61.300 0.019 0.000 1.381 1548 I CB 0.471 38.475 38.000 0.007 0.000 1.238 1548 I HN 0.572 nan 8.210 nan 0.000 0.448 1549 Q N 2.075 121.910 119.800 0.057 0.000 2.337 1549 Q HA 0.336 4.662 4.340 -0.022 0.000 0.270 1549 Q C -1.257 174.793 176.000 0.084 0.000 1.043 1549 Q CA -0.382 55.455 55.803 0.057 0.000 0.794 1549 Q CB 2.265 31.028 28.738 0.041 0.000 1.281 1549 Q HN 0.119 nan 8.270 nan 0.000 0.446 1550 K N 3.349 123.790 120.400 0.069 0.000 2.499 1550 K HA 0.278 4.585 4.320 -0.022 0.000 0.215 1550 K C -0.743 175.852 176.600 -0.008 0.000 1.041 1550 K CA -0.174 56.161 56.287 0.080 0.000 1.031 1550 K CB 0.396 32.970 32.500 0.123 0.000 1.479 1550 K HN 0.285 nan 8.250 nan 0.000 0.518 1551 K N 4.010 124.369 120.400 -0.068 0.000 2.150 1551 K HA 0.153 4.459 4.320 -0.022 0.000 0.261 1551 K C -0.397 176.114 176.600 -0.148 0.000 1.127 1551 K CA -0.461 55.775 56.287 -0.085 0.000 0.989 1551 K CB 0.219 32.677 32.500 -0.069 0.000 1.475 1551 K HN 0.199 nan 8.250 nan 0.000 0.391 1552 L N 2.128 123.278 121.223 -0.121 0.000 2.456 1552 L HA 0.079 4.406 4.340 -0.022 0.000 0.272 1552 L C 0.713 177.509 176.870 -0.122 0.000 1.189 1552 L CA 0.726 55.481 54.840 -0.142 0.000 0.846 1552 L CB 0.129 42.135 42.059 -0.089 0.000 1.111 1552 L HN 0.396 nan 8.230 nan 0.000 0.475 1553 E N 0.678 120.794 120.200 -0.139 0.000 2.369 1553 E HA 0.198 4.534 4.350 -0.022 0.000 0.270 1553 E C -0.452 176.063 176.600 -0.141 0.000 0.909 1553 E CA -0.498 55.834 56.400 -0.114 0.000 0.775 1553 E CB 1.763 31.413 29.700 -0.083 0.000 1.270 1553 E HN 0.615 nan 8.360 nan 0.000 0.445 1554 D N -0.663 119.664 120.400 -0.122 0.000 2.324 1554 D HA -0.020 4.607 4.640 -0.022 0.000 0.235 1554 D C 0.398 176.612 176.300 -0.144 0.000 1.095 1554 D CA 0.398 54.321 54.000 -0.128 0.000 0.871 1554 D CB 0.501 41.260 40.800 -0.069 0.000 0.906 1554 D HN 0.188 nan 8.370 nan 0.000 0.522 1555 D N -0.922 119.375 120.400 -0.172 0.000 3.074 1555 D HA 0.200 4.827 4.640 -0.022 0.000 0.227 1555 D C -0.873 175.172 176.300 -0.425 0.000 1.553 1555 D CA 0.025 53.919 54.000 -0.178 0.000 1.347 1555 D CB 0.382 41.217 40.800 0.058 0.000 1.021 1555 D HN 0.029 nan 8.370 nan 0.000 0.260 1556 F N 1.601 121.412 119.950 -0.231 0.000 2.536 1556 F HA 0.314 4.828 4.527 -0.023 0.000 0.322 1556 F C -0.377 175.287 175.800 -0.226 0.000 1.144 1556 F CA -1.063 56.810 58.000 -0.210 0.000 0.924 1556 F CB 1.664 40.585 39.000 -0.131 0.000 1.181 1556 F HN -0.209 nan 8.300 nan 0.000 0.438 1557 D N 2.943 123.256 120.400 -0.144 0.000 2.424 1557 D HA 0.097 4.724 4.640 -0.022 0.000 0.244 1557 D C -0.199 175.805 176.300 -0.493 0.000 1.134 1557 D CA 0.340 54.118 54.000 -0.369 0.000 0.881 1557 D CB 0.858 41.348 40.800 -0.516 0.000 1.191 1557 D HN 0.542 nan 8.370 nan 0.000 0.445 1558 E N 1.928 121.839 120.200 -0.482 0.000 2.114 1558 E HA 0.193 4.529 4.350 -0.022 0.000 0.266 1558 E C -0.794 175.597 176.600 -0.348 0.000 0.896 1558 E CA -0.657 55.556 56.400 -0.313 0.000 0.750 1558 E CB 0.905 30.531 29.700 -0.123 0.000 1.121 1558 E HN 0.353 nan 8.360 nan 0.000 0.413 1559 Y N 2.700 123.049 120.300 0.082 0.000 2.593 1559 Y HA 0.336 4.873 4.550 -0.022 0.000 0.331 1559 Y C 0.424 176.384 175.900 0.100 0.000 0.986 1559 Y CA -0.873 57.259 58.100 0.053 0.000 1.262 1559 Y CB 0.204 38.660 38.460 -0.007 0.000 1.098 1559 Y HN 0.362 nan 8.280 nan 0.000 0.506 1560 I N 4.509 125.186 120.570 0.178 0.000 2.587 1560 I HA 0.018 4.175 4.170 -0.022 0.000 0.284 1560 I C 0.003 176.203 176.117 0.138 0.000 1.134 1560 I CA 0.514 61.901 61.300 0.146 0.000 1.410 1560 I CB 0.363 38.410 38.000 0.078 0.000 1.392 1560 I HN 0.560 nan 8.210 nan 0.000 0.545 1561 M N 6.701 126.404 119.600 0.172 0.000 2.404 1561 M HA 0.442 4.909 4.480 -0.022 0.000 0.338 1561 M C -0.757 175.570 176.300 0.044 0.000 1.150 1561 M CA -0.436 54.917 55.300 0.088 0.000 1.016 1561 M CB 1.950 34.596 32.600 0.077 0.000 1.672 1561 M HN 0.237 nan 8.290 nan 0.000 0.448 1562 V N 5.038 124.946 119.914 -0.010 0.000 2.435 1562 V HA 0.407 4.513 4.120 -0.022 0.000 0.290 1562 V C -0.653 175.417 176.094 -0.041 0.000 1.030 1562 V CA -0.779 61.507 62.300 -0.024 0.000 0.881 1562 V CB 1.486 33.286 31.823 -0.038 0.000 0.983 1562 V HN 0.644 nan 8.190 nan 0.000 0.445 1563 I N 4.081 124.632 120.570 -0.032 0.000 2.278 1563 I HA 0.258 4.415 4.170 -0.022 0.000 0.296 1563 I C 1.342 177.471 176.117 0.019 0.000 1.121 1563 I CA 0.336 61.626 61.300 -0.017 0.000 1.267 1563 I CB 0.185 38.158 38.000 -0.044 0.000 1.447 1563 I HN 0.510 nan 8.210 nan 0.000 0.509 1564 E N 3.619 123.820 120.200 0.002 0.000 2.515 1564 E HA -0.028 4.309 4.350 -0.022 0.000 0.201 1564 E C 0.144 176.762 176.600 0.029 0.000 1.071 1564 E CA 0.455 56.859 56.400 0.007 0.000 0.880 1564 E CB -0.149 29.558 29.700 0.011 0.000 0.828 1564 E HN 0.695 nan 8.360 nan 0.000 0.540 1565 N N -0.303 118.447 118.700 0.084 0.000 4.451 1565 N HA 0.069 4.796 4.740 -0.022 0.000 0.195 1565 N C -1.588 174.070 175.510 0.248 0.000 1.087 1565 N CA -0.310 52.810 53.050 0.117 0.000 1.025 1565 N CB 0.681 39.194 38.487 0.043 0.000 1.603 1565 N HN -0.164 nan 8.380 nan 0.000 0.631 1566 I N 3.145 123.856 120.570 0.234 0.000 2.525 1566 I HA 0.477 4.634 4.170 -0.022 0.000 0.301 1566 I C 0.747 176.939 176.117 0.125 0.000 0.992 1566 I CA -0.668 60.788 61.300 0.259 0.000 1.162 1566 I CB 1.592 39.748 38.000 0.260 0.000 1.332 1566 I HN 0.529 nan 8.210 nan 0.000 0.458 1567 I N 4.107 124.698 120.570 0.035 0.000 3.809 1567 I HA 0.223 4.379 4.170 -0.022 0.000 0.325 1567 I C -0.456 175.728 176.117 0.112 0.000 1.447 1567 I CA -0.083 61.278 61.300 0.101 0.000 1.027 1567 I CB 0.502 38.584 38.000 0.136 0.000 1.567 1567 I HN 0.471 nan 8.210 nan 0.000 0.616 1568 K N 0.258 120.680 120.400 0.037 0.000 2.772 1568 K HA 0.374 4.681 4.320 -0.022 0.000 0.292 1568 K C -1.393 175.249 176.600 0.071 0.000 1.049 1568 K CA -0.344 55.991 56.287 0.080 0.000 0.846 1568 K CB 1.391 33.880 32.500 -0.018 0.000 1.514 1568 K HN -0.155 nan 8.250 nan 0.000 0.373 1569 S N 1.325 117.106 115.700 0.134 0.000 2.835 1569 S HA 0.290 4.747 4.470 -0.022 0.000 0.286 1569 S C 0.063 174.785 174.600 0.203 0.000 1.194 1569 S CA -0.247 58.050 58.200 0.162 0.000 1.031 1569 S CB 0.423 63.709 63.200 0.143 0.000 1.216 1569 S HN 0.742 nan 8.310 nan 0.000 0.502 1570 G N 3.043 112.023 108.800 0.299 0.000 2.513 1570 G HA2 0.020 3.967 3.960 -0.022 0.000 0.290 1570 G HA3 0.020 3.967 3.960 -0.022 0.000 0.290 1570 G C 0.591 175.653 174.900 0.270 0.000 0.708 1570 G CA -0.441 44.910 45.100 0.418 0.000 2.012 1570 G HN 0.793 nan 8.290 nan 0.000 0.493 1571 S N 1.604 117.434 115.700 0.218 0.000 3.350 1571 S HA 0.033 4.489 4.470 -0.022 0.000 0.391 1571 S C 0.495 175.158 174.600 0.106 0.000 0.887 1571 S CA 0.576 58.863 58.200 0.145 0.000 2.009 1571 S CB 0.090 63.370 63.200 0.134 0.000 1.135 1571 S HN 0.775 nan 8.310 nan 0.000 0.653 1572 D N 0.879 121.332 120.400 0.088 0.000 5.160 1572 D HA -0.127 4.500 4.640 -0.022 0.000 0.155 1572 D C -0.920 175.418 176.300 0.062 0.000 0.820 1572 D CA -0.086 53.941 54.000 0.044 0.000 0.950 1572 D CB -0.803 39.996 40.800 -0.001 0.000 0.871 1572 D HN 0.668 nan 8.370 nan 0.000 0.598 1573 E N 0.765 120.993 120.200 0.046 0.000 2.290 1573 E HA 0.431 4.768 4.350 -0.022 0.000 0.277 1573 E C 0.399 177.085 176.600 0.142 0.000 1.035 1573 E CA 0.004 56.443 56.400 0.065 0.000 0.873 1573 E CB 0.943 30.658 29.700 0.025 0.000 1.029 1573 E HN 0.165 nan 8.360 nan 0.000 0.419 1574 V N 3.355 123.358 119.914 0.149 0.000 3.337 1574 V HA 0.075 4.182 4.120 -0.022 0.000 0.307 1574 V C -0.098 176.096 176.094 0.168 0.000 1.505 1574 V CA -0.485 61.947 62.300 0.220 0.000 1.072 1574 V CB 0.291 32.244 31.823 0.217 0.000 0.929 1574 V HN 0.643 nan 8.190 nan 0.000 0.455 1575 Q N 1.618 121.482 119.800 0.106 0.000 2.308 1575 Q HA 0.154 4.480 4.340 -0.022 0.000 0.313 1575 Q C -0.015 176.034 176.000 0.082 0.000 1.075 1575 Q CA 0.581 56.431 55.803 0.078 0.000 0.995 1575 Q CB 0.835 29.602 28.738 0.049 0.000 1.107 1575 Q HN 0.440 nan 8.270 nan 0.000 0.380 1576 V N 2.840 122.804 119.914 0.085 0.000 3.214 1576 V HA 0.168 4.275 4.120 -0.022 0.000 0.306 1576 V C 0.538 176.662 176.094 0.050 0.000 1.078 1576 V CA -0.956 61.395 62.300 0.084 0.000 1.077 1576 V CB 1.024 32.902 31.823 0.093 0.000 1.121 1576 V HN 0.778 nan 8.190 nan 0.000 0.468 1577 K N 0.857 121.282 120.400 0.042 0.000 3.278 1577 K HA -0.176 4.131 4.320 -0.022 0.000 0.270 1577 K C 0.075 176.684 176.600 0.015 0.000 0.955 1577 K CA 0.699 57.000 56.287 0.024 0.000 0.723 1577 K CB -0.826 31.689 32.500 0.024 0.000 1.382 1577 K HN 0.831 nan 8.250 nan 0.000 0.461 1578 Q N -0.033 119.771 119.800 0.007 0.000 2.852 1578 Q HA 0.387 4.714 4.340 -0.022 0.000 0.262 1578 Q C -0.062 175.937 176.000 -0.000 0.000 1.051 1578 Q CA -0.740 55.065 55.803 0.004 0.000 0.894 1578 Q CB 1.115 29.856 28.738 0.004 0.000 1.381 1578 Q HN 0.060 nan 8.270 nan 0.000 0.501 1579 E N 1.848 122.051 120.200 0.006 0.000 2.149 1579 E HA 0.327 4.664 4.350 -0.022 0.000 0.255 1579 E C -0.666 175.949 176.600 0.026 0.000 0.888 1579 E CA -0.437 55.974 56.400 0.019 0.000 0.742 1579 E CB 1.069 30.780 29.700 0.019 0.000 1.164 1579 E HN 0.192 nan 8.360 nan 0.000 0.422 1580 R N 2.250 122.777 120.500 0.044 0.000 2.288 1580 R HA 0.290 4.617 4.340 -0.022 0.000 0.326 1580 R C 0.039 176.400 176.300 0.102 0.000 0.959 1580 R CA -0.600 55.525 56.100 0.041 0.000 0.834 1580 R CB 1.280 31.554 30.300 -0.044 0.000 1.157 1580 R HN 0.208 nan 8.270 nan 0.000 0.470 1581 K N 2.941 123.374 120.400 0.055 0.000 2.378 1581 K HA 0.140 4.446 4.320 -0.022 0.000 0.288 1581 K C -0.433 176.197 176.600 0.050 0.000 1.057 1581 K CA 0.362 56.703 56.287 0.091 0.000 0.971 1581 K CB 0.335 32.858 32.500 0.038 0.000 0.975 1581 K HN 0.222 nan 8.250 nan 0.000 0.475 1582 F N 3.909 123.943 119.950 0.140 0.000 2.404 1582 F HA 0.339 4.852 4.527 -0.023 0.000 0.339 1582 F C 0.402 176.332 175.800 0.217 0.000 1.105 1582 F CA -0.746 57.377 58.000 0.204 0.000 1.087 1582 F CB 0.849 39.961 39.000 0.186 0.000 1.143 1582 F HN 0.191 nan 8.300 nan 0.000 0.491 1583 I N 2.315 123.061 120.570 0.292 0.000 2.545 1583 I HA 0.433 4.589 4.170 -0.022 0.000 0.292 1583 I C -0.447 175.842 176.117 0.287 0.000 1.040 1583 I CA -0.547 60.879 61.300 0.210 0.000 1.068 1583 I CB 1.464 39.489 38.000 0.042 0.000 1.251 1583 I HN 0.444 nan 8.210 nan 0.000 0.424 1584 S N 3.713 119.601 115.700 0.314 0.000 2.533 1584 S HA 0.409 4.866 4.470 -0.022 0.000 0.271 1584 S C -0.744 173.957 174.600 0.168 0.000 1.143 1584 S CA -0.517 57.851 58.200 0.281 0.000 0.891 1584 S CB 0.911 64.289 63.200 0.298 0.000 1.105 1584 S HN 0.730 nan 8.310 nan 0.000 0.468 1585 H N 2.707 121.729 119.070 -0.080 0.000 2.935 1585 H HA 0.199 4.742 4.556 -0.022 0.000 0.376 1585 H C 1.568 176.751 175.328 -0.242 0.000 1.307 1585 H CA 1.268 57.048 56.048 -0.446 0.000 1.442 1585 H CB 0.377 29.846 29.762 -0.488 0.000 1.427 1585 H HN 0.628 nan 8.280 nan 0.000 0.615 1586 I N 1.540 121.685 120.570 -0.707 0.000 2.361 1586 I HA -0.277 3.879 4.170 -0.022 0.000 0.251 1586 I C 2.421 178.481 176.117 -0.094 0.000 1.133 1586 I CA 1.514 62.612 61.300 -0.337 0.000 1.413 1586 I CB -0.472 37.301 38.000 -0.379 0.000 1.073 1586 I HN 0.649 nan 8.210 nan 0.000 0.424 1587 K N 1.353 121.793 120.400 0.067 0.000 2.089 1587 K HA -0.192 4.114 4.320 -0.022 0.000 0.210 1587 K C 1.514 178.104 176.600 -0.016 0.000 1.048 1587 K CA 1.967 58.284 56.287 0.049 0.000 0.926 1587 K CB -0.938 31.591 32.500 0.049 0.000 0.714 1587 K HN 0.369 nan 8.250 nan 0.000 0.448 1588 c N 1.656 120.248 118.600 -0.014 0.000 2.377 1588 c HA 0.295 4.852 4.570 -0.022 0.000 0.341 1588 c C 2.017 176.144 174.090 0.061 0.000 1.304 1588 c CA -0.732 55.585 56.329 -0.020 0.000 1.690 1588 c CB -1.677 40.806 42.510 -0.043 0.000 1.808 1588 c HN 0.472 nan 8.230 nan 0.000 0.592 1589 R N 1.187 121.719 120.500 0.053 0.000 2.119 1589 R HA -0.039 4.288 4.340 -0.022 0.000 0.222 1589 R C 1.881 178.221 176.300 0.066 0.000 1.088 1589 R CA 1.076 57.234 56.100 0.096 0.000 0.984 1589 R CB 0.088 30.416 30.300 0.047 0.000 0.884 1589 R HN 0.442 nan 8.270 nan 0.000 0.447 1590 E N 0.611 120.833 120.200 0.036 0.000 2.030 1590 E HA -0.036 4.301 4.350 -0.022 0.000 0.189 1590 E C 1.644 178.275 176.600 0.052 0.000 0.974 1590 E CA 1.171 57.590 56.400 0.031 0.000 0.807 1590 E CB -0.317 29.390 29.700 0.011 0.000 0.771 1590 E HN 0.345 nan 8.360 nan 0.000 0.451 1591 A N 0.459 123.317 122.820 0.064 0.000 2.277 1591 A HA -0.055 4.252 4.320 -0.022 0.000 0.208 1591 A C 1.804 179.543 177.584 0.258 0.000 1.202 1591 A CA 0.729 52.859 52.037 0.156 0.000 0.762 1591 A CB -0.226 18.836 19.000 0.103 0.000 0.770 1591 A HN 0.112 nan 8.150 nan 0.000 0.487 1592 L N -2.057 119.243 121.223 0.129 0.000 2.614 1592 L HA 0.317 4.644 4.340 -0.022 0.000 0.185 1592 L C 0.943 177.784 176.870 -0.049 0.000 1.098 1592 L CA 0.715 55.568 54.840 0.021 0.000 0.852 1592 L CB -0.001 42.030 42.059 -0.047 0.000 1.213 1592 L HN 0.293 nan 8.230 nan 0.000 0.491 1593 K N 1.303 121.692 120.400 -0.018 0.000 3.311 1593 K HA -0.199 4.108 4.320 -0.022 0.000 0.270 1593 K C -0.473 176.113 176.600 -0.024 0.000 0.927 1593 K CA 0.084 56.371 56.287 0.000 0.000 0.706 1593 K CB -1.450 31.067 32.500 0.028 0.000 1.418 1593 K HN 0.245 nan 8.250 nan 0.000 0.459 1594 L N 0.637 121.778 121.223 -0.138 0.000 2.472 1594 L HA 0.188 4.514 4.340 -0.022 0.000 0.260 1594 L C 0.933 177.814 176.870 0.018 0.000 1.209 1594 L CA -0.056 54.675 54.840 -0.181 0.000 0.817 1594 L CB 0.332 42.008 42.059 -0.638 0.000 1.106 1594 L HN 0.025 nan 8.230 nan 0.000 0.479 1595 K N 0.981 121.480 120.400 0.165 0.000 2.207 1595 K HA 0.193 4.500 4.320 -0.022 0.000 0.255 1595 K C -0.100 176.591 176.600 0.152 0.000 0.941 1595 K CA -0.500 55.878 56.287 0.152 0.000 0.825 1595 K CB 1.729 34.322 32.500 0.154 0.000 1.119 1595 K HN 0.574 nan 8.250 nan 0.000 0.430 1596 E N 0.374 120.636 120.200 0.104 0.000 2.528 1596 E HA 0.186 4.523 4.350 -0.022 0.000 0.237 1596 E C 0.003 176.643 176.600 0.066 0.000 1.408 1596 E CA -0.428 56.024 56.400 0.087 0.000 1.571 1596 E CB -0.330 29.412 29.700 0.069 0.000 1.395 1596 E HN 0.680 nan 8.360 nan 0.000 0.438 1597 G N 0.145 108.993 108.800 0.079 0.000 3.716 1597 G HA2 0.442 4.388 3.960 -0.022 0.000 0.243 1597 G HA3 0.442 4.388 3.960 -0.022 0.000 0.243 1597 G C -0.843 174.070 174.900 0.021 0.000 3.921 1597 G CA -0.092 45.027 45.100 0.031 0.000 0.492 1597 G HN 0.499 nan 8.290 nan 0.000 0.256 1598 A N 0.976 123.785 122.820 -0.018 0.000 2.597 1598 A HA 0.805 5.112 4.320 -0.022 0.000 0.292 1598 A C -1.457 175.911 177.584 -0.360 0.000 1.057 1598 A CA -0.886 51.066 52.037 -0.143 0.000 0.674 1598 A CB 0.904 19.748 19.000 -0.260 0.000 1.278 1598 A HN 0.588 nan 8.150 nan 0.000 0.416 1599 H N -0.424 118.350 119.070 -0.492 0.000 2.463 1599 H HA 0.702 5.245 4.556 -0.022 0.000 0.332 1599 H C -1.456 173.527 175.328 -0.576 0.000 1.127 1599 H CA 0.128 55.929 56.048 -0.412 0.000 1.238 1599 H CB 0.813 30.302 29.762 -0.455 0.000 1.478 1599 H HN 0.538 nan 8.280 nan 0.000 0.499 1600 Y N 0.761 121.111 120.300 0.084 0.000 2.492 1600 Y HA 0.190 4.726 4.550 -0.023 0.000 0.346 1600 Y C -0.478 175.535 175.900 0.189 0.000 0.997 1600 Y CA -1.053 57.124 58.100 0.128 0.000 1.025 1600 Y CB 1.692 40.135 38.460 -0.029 0.000 1.263 1600 Y HN 0.415 nan 8.280 nan 0.000 0.454 1601 L N 5.731 127.225 121.223 0.453 0.000 2.319 1601 L HA 0.643 4.970 4.340 -0.022 0.000 0.280 1601 L C -0.768 176.366 176.870 0.439 0.000 1.099 1601 L CA -0.531 54.590 54.840 0.469 0.000 0.828 1601 L CB 0.445 42.780 42.059 0.460 0.000 1.150 1601 L HN 0.620 nan 8.230 nan 0.000 0.442 1602 V N 3.815 124.000 119.914 0.452 0.000 2.680 1602 V HA 0.804 4.911 4.120 -0.022 0.000 0.309 1602 V C -1.238 175.190 176.094 0.558 0.000 1.052 1602 V CA -0.641 61.945 62.300 0.478 0.000 0.908 1602 V CB 1.532 33.622 31.823 0.445 0.000 1.001 1602 V HN 0.996 nan 8.190 nan 0.000 0.431 1603 W N 3.478 124.829 121.300 0.085 0.000 3.775 1603 W HA 0.860 5.512 4.660 -0.013 0.000 0.315 1603 W C -0.658 175.641 176.519 -0.367 0.000 1.169 1603 W CA 0.035 57.233 57.345 -0.244 0.000 1.266 1603 W CB 0.700 30.119 29.460 -0.068 0.000 1.269 1603 W HN 1.161 nan 8.180 nan 0.000 0.471 1604 G N 1.670 109.905 108.800 -0.941 0.000 2.606 1604 G HA2 0.614 4.561 3.960 -0.022 0.000 0.300 1604 G HA3 0.614 4.561 3.960 -0.022 0.000 0.300 1604 G C -0.898 173.903 174.900 -0.165 0.000 1.360 1604 G CA -0.532 44.291 45.100 -0.461 0.000 0.783 1604 G HN 0.820 nan 8.290 nan 0.000 0.484 1605 V N 0.001 119.989 119.914 0.122 0.000 3.681 1605 V HA 0.313 4.420 4.120 -0.022 0.000 0.298 1605 V C 1.889 178.193 176.094 0.350 0.000 1.097 1605 V CA 0.828 63.248 62.300 0.200 0.000 1.125 1605 V CB 1.277 33.196 31.823 0.160 0.000 1.140 1605 V HN 0.827 nan 8.190 nan 0.000 0.476 1606 S N -0.484 115.364 115.700 0.247 0.000 2.492 1606 S HA -0.055 4.402 4.470 -0.022 0.000 0.218 1606 S C 1.911 176.597 174.600 0.143 0.000 1.016 1606 S CA 0.774 59.102 58.200 0.213 0.000 0.916 1606 S CB -0.303 62.989 63.200 0.153 0.000 0.791 1606 S HN 0.959 nan 8.310 nan 0.000 0.513 1607 S N 1.103 116.893 115.700 0.150 0.000 2.423 1607 S HA -0.062 4.395 4.470 -0.022 0.000 0.231 1607 S C 0.902 175.613 174.600 0.184 0.000 1.014 1607 S CA 1.093 59.383 58.200 0.150 0.000 0.965 1607 S CB -0.699 62.584 63.200 0.139 0.000 0.785 1607 S HN 0.481 nan 8.310 nan 0.000 0.495 1608 D N 0.957 121.465 120.400 0.180 0.000 2.390 1608 D HA 0.192 4.819 4.640 -0.022 0.000 0.235 1608 D C -0.449 175.871 176.300 0.033 0.000 1.040 1608 D CA 0.292 54.389 54.000 0.160 0.000 0.923 1608 D CB -0.267 40.714 40.800 0.301 0.000 0.886 1608 D HN 0.269 nan 8.370 nan 0.000 0.532 1609 L N 0.074 121.304 121.223 0.012 0.000 2.307 1609 L HA 0.380 4.707 4.340 -0.022 0.000 0.282 1609 L C -0.266 176.688 176.870 0.141 0.000 1.051 1609 L CA -0.220 54.526 54.840 -0.157 0.000 0.804 1609 L CB 1.052 42.973 42.059 -0.230 0.000 1.197 1609 L HN 0.041 nan 8.230 nan 0.000 0.431 1610 W N 2.736 123.866 121.300 -0.283 0.000 3.518 1610 W HA 0.563 5.209 4.660 -0.023 0.000 0.331 1610 W C 0.606 177.009 176.519 -0.193 0.000 1.205 1610 W CA 0.072 57.298 57.345 -0.198 0.000 0.956 1610 W CB 1.780 31.131 29.460 -0.180 0.000 1.645 1610 W HN 0.689 nan 8.180 nan 0.000 0.615 1611 G N 1.873 110.566 108.800 -0.178 0.000 2.569 1611 G HA2 -0.203 3.744 3.960 -0.022 0.000 0.259 1611 G HA3 -0.203 3.744 3.960 -0.022 0.000 0.259 1611 G C -0.876 173.883 174.900 -0.236 0.000 1.263 1611 G CA 0.701 45.702 45.100 -0.164 0.000 0.928 1611 G HN 0.534 nan 8.290 nan 0.000 0.572 1612 E N -1.957 118.144 120.200 -0.164 0.000 2.425 1612 E HA 0.511 4.848 4.350 -0.022 0.000 0.272 1612 E C 1.106 177.643 176.600 -0.105 0.000 1.061 1612 E CA 0.008 56.316 56.400 -0.154 0.000 0.877 1612 E CB 0.844 30.448 29.700 -0.159 0.000 1.590 1612 E HN 0.708 nan 8.360 nan 0.000 0.462 1613 K N 0.577 120.923 120.400 -0.089 0.000 2.163 1613 K HA -0.267 4.039 4.320 -0.022 0.000 0.222 1613 K C -1.012 175.560 176.600 -0.047 0.000 0.990 1613 K CA 2.951 59.202 56.287 -0.061 0.000 0.959 1613 K CB -1.207 31.261 32.500 -0.053 0.000 0.882 1613 K HN 0.422 nan 8.250 nan 0.000 0.472 1614 P HA -0.113 nan 4.420 nan 0.000 0.209 1614 P C -0.318 176.962 177.300 -0.033 0.000 1.203 1614 P CA 1.347 64.427 63.100 -0.033 0.000 0.916 1614 P CB -0.192 31.489 31.700 -0.031 0.000 0.763 1615 K N 0.047 120.423 120.400 -0.040 0.000 2.235 1615 K HA 0.502 4.809 4.320 -0.022 0.000 0.266 1615 K C -0.424 176.139 176.600 -0.062 0.000 0.980 1615 K CA -0.775 55.489 56.287 -0.038 0.000 0.849 1615 K CB 1.290 33.774 32.500 -0.026 0.000 1.098 1615 K HN -0.110 nan 8.250 nan 0.000 0.445 1616 I N 2.689 123.215 120.570 -0.074 0.000 2.359 1616 I HA 0.180 4.337 4.170 -0.022 0.000 0.294 1616 I C -0.025 176.003 176.117 -0.150 0.000 0.987 1616 I CA -0.513 60.706 61.300 -0.136 0.000 1.225 1616 I CB 1.415 39.299 38.000 -0.193 0.000 1.366 1616 I HN 0.734 nan 8.210 nan 0.000 0.466 1617 S N 5.454 121.075 115.700 -0.131 0.000 2.632 1617 S HA 0.481 4.938 4.470 -0.022 0.000 0.271 1617 S C -0.768 173.654 174.600 -0.296 0.000 1.260 1617 S CA -0.274 57.864 58.200 -0.104 0.000 1.010 1617 S CB 0.866 64.089 63.200 0.038 0.000 0.965 1617 S HN 0.364 nan 8.310 nan 0.000 0.534 1618 Y N 1.058 121.135 120.300 -0.371 0.000 2.555 1618 Y HA 0.408 4.944 4.550 -0.023 0.000 0.326 1618 Y C -0.107 175.640 175.900 -0.255 0.000 0.984 1618 Y CA -0.409 57.373 58.100 -0.529 0.000 1.298 1618 Y CB 0.388 37.974 38.460 -1.456 0.000 1.094 1618 Y HN 0.491 nan 8.280 nan 0.000 0.500 1619 I N 5.536 126.085 120.570 -0.036 0.000 2.471 1619 I HA 0.051 4.207 4.170 -0.022 0.000 0.294 1619 I C 0.105 176.312 176.117 0.151 0.000 1.123 1619 I CA 0.170 61.466 61.300 -0.007 0.000 1.336 1619 I CB 0.184 38.083 38.000 -0.168 0.000 1.430 1619 I HN 0.476 nan 8.210 nan 0.000 0.533 1620 I N 7.060 127.780 120.570 0.250 0.000 2.725 1620 I HA 0.016 4.173 4.170 -0.022 0.000 0.296 1620 I C 1.331 177.552 176.117 0.172 0.000 1.155 1620 I CA 0.077 61.563 61.300 0.310 0.000 1.450 1620 I CB -0.518 37.681 38.000 0.331 0.000 1.478 1620 I HN 0.597 nan 8.210 nan 0.000 0.642 1621 G N 5.219 114.114 108.800 0.158 0.000 2.525 1621 G HA2 0.195 4.142 3.960 -0.022 0.000 0.287 1621 G HA3 0.195 4.142 3.960 -0.022 0.000 0.287 1621 G C 0.922 175.828 174.900 0.010 0.000 1.350 1621 G CA -0.561 44.582 45.100 0.072 0.000 1.039 1621 G HN 0.740 nan 8.290 nan 0.000 0.513 1622 K N -1.143 119.252 120.400 -0.008 0.000 2.148 1622 K HA 0.003 4.310 4.320 -0.022 0.000 0.204 1622 K C 1.048 177.681 176.600 0.055 0.000 1.050 1622 K CA 1.789 58.057 56.287 -0.032 0.000 0.942 1622 K CB -0.009 32.487 32.500 -0.008 0.000 0.724 1622 K HN 0.306 nan 8.250 nan 0.000 0.446 1623 D N 0.702 121.156 120.400 0.088 0.000 2.349 1623 D HA 0.004 4.630 4.640 -0.022 0.000 0.215 1623 D C -0.277 176.071 176.300 0.080 0.000 1.016 1623 D CA 0.551 54.629 54.000 0.130 0.000 0.870 1623 D CB 0.418 41.275 40.800 0.095 0.000 0.917 1623 D HN 0.098 nan 8.370 nan 0.000 0.524 1624 T N 0.184 114.760 114.554 0.036 0.000 2.882 1624 T HA 0.384 4.721 4.350 -0.022 0.000 0.287 1624 T C -0.819 173.812 174.700 -0.115 0.000 0.992 1624 T CA -0.328 61.745 62.100 -0.046 0.000 1.076 1624 T CB 0.834 69.790 68.868 0.146 0.000 0.961 1624 T HN 0.041 nan 8.240 nan 0.000 0.490 1625 W N 1.360 122.345 121.300 -0.525 0.000 2.998 1625 W HA 0.564 5.211 4.660 -0.021 0.000 0.335 1625 W C -1.281 175.035 176.519 -0.339 0.000 1.110 1625 W CA -0.778 56.276 57.345 -0.485 0.000 1.230 1625 W CB 1.423 30.464 29.460 -0.700 0.000 1.405 1625 W HN 0.309 nan 8.180 nan 0.000 0.493 1626 V N 3.643 123.517 119.914 -0.067 0.000 2.370 1626 V HA 0.338 4.445 4.120 -0.022 0.000 0.283 1626 V C -0.235 175.917 176.094 0.096 0.000 1.023 1626 V CA -1.028 61.282 62.300 0.016 0.000 0.857 1626 V CB 1.364 33.104 31.823 -0.140 0.000 0.985 1626 V HN 0.328 nan 8.190 nan 0.000 0.443 1627 E N 4.868 125.215 120.200 0.245 0.000 2.028 1627 E HA 0.285 4.622 4.350 -0.022 0.000 0.266 1627 E C -0.732 176.004 176.600 0.227 0.000 0.962 1627 E CA -0.901 55.624 56.400 0.208 0.000 0.784 1627 E CB 1.459 31.286 29.700 0.211 0.000 1.114 1627 E HN 0.422 nan 8.360 nan 0.000 0.414 1628 L N 3.348 124.706 121.223 0.226 0.000 2.737 1628 L HA -0.047 4.280 4.340 -0.022 0.000 0.288 1628 L C 0.499 177.405 176.870 0.059 0.000 1.185 1628 L CA 0.320 55.325 54.840 0.275 0.000 1.127 1628 L CB -0.597 41.620 42.059 0.264 0.000 1.432 1628 L HN 0.420 nan 8.230 nan 0.000 0.449 1629 W N 6.036 127.232 121.300 -0.174 0.000 2.295 1629 W HA 0.093 4.737 4.660 -0.027 0.000 0.335 1629 W C -1.956 174.426 176.519 -0.228 0.000 1.351 1629 W CA -2.000 55.233 57.345 -0.187 0.000 1.273 1629 W CB 0.341 29.713 29.460 -0.146 0.000 1.214 1629 W HN 0.390 nan 8.180 nan 0.000 0.563 1630 P HA -0.024 nan 4.420 nan 0.000 0.280 1630 P C -0.159 177.221 177.300 0.134 0.000 1.278 1630 P CA 0.370 63.513 63.100 0.072 0.000 0.787 1630 P CB 0.692 32.372 31.700 -0.033 0.000 1.163 1631 E N -1.251 118.969 120.200 0.034 0.000 2.390 1631 E HA 0.466 4.802 4.350 -0.022 0.000 0.249 1631 E C 0.838 177.429 176.600 -0.014 0.000 0.981 1631 E CA -0.827 55.567 56.400 -0.009 0.000 0.860 1631 E CB 0.837 30.534 29.700 -0.004 0.000 1.278 1631 E HN 0.275 nan 8.360 nan 0.000 0.416 1632 A N 1.085 123.884 122.820 -0.036 0.000 2.125 1632 A HA -0.248 4.059 4.320 -0.022 0.000 0.199 1632 A C 1.688 179.265 177.584 -0.012 0.000 1.193 1632 A CA 2.213 54.234 52.037 -0.027 0.000 0.747 1632 A CB -1.256 17.727 19.000 -0.028 0.000 0.853 1632 A HN 0.765 nan 8.150 nan 0.000 0.513 1633 E N 0.099 120.294 120.200 -0.010 0.000 2.136 1633 E HA -0.316 4.021 4.350 -0.022 0.000 0.202 1633 E C 1.504 178.099 176.600 -0.008 0.000 1.019 1633 E CA 1.871 58.267 56.400 -0.007 0.000 0.819 1633 E CB -0.636 29.061 29.700 -0.005 0.000 0.739 1633 E HN 0.775 nan 8.360 nan 0.000 0.458 1634 E N 0.363 120.559 120.200 -0.008 0.000 2.338 1634 E HA -0.106 4.231 4.350 -0.022 0.000 0.197 1634 E C 2.137 178.727 176.600 -0.016 0.000 1.007 1634 E CA 0.915 57.309 56.400 -0.010 0.000 0.849 1634 E CB -0.288 29.407 29.700 -0.008 0.000 0.774 1634 E HN 0.467 nan 8.360 nan 0.000 0.506 1635 c N 1.153 119.743 118.600 -0.017 0.000 2.419 1635 c HA -0.139 4.418 4.570 -0.022 0.000 0.283 1635 c C 2.308 176.380 174.090 -0.030 0.000 1.373 1635 c CA 0.800 57.113 56.329 -0.027 0.000 1.781 1635 c CB -0.674 41.825 42.510 -0.018 0.000 1.886 1635 c HN 0.414 nan 8.230 nan 0.000 0.520 1636 Q N 0.655 120.442 119.800 -0.021 0.000 2.226 1636 Q HA -0.050 4.276 4.340 -0.022 0.000 0.204 1636 Q C 0.647 176.634 176.000 -0.022 0.000 0.975 1636 Q CA 0.734 56.525 55.803 -0.020 0.000 0.866 1636 Q CB -0.227 28.503 28.738 -0.014 0.000 0.915 1636 Q HN 0.722 nan 8.270 nan 0.000 0.440 1637 D N 0.865 121.252 120.400 -0.021 0.000 2.383 1637 D HA -0.109 4.518 4.640 -0.022 0.000 0.233 1637 D C 0.833 177.118 176.300 -0.025 0.000 1.233 1637 D CA 0.560 54.547 54.000 -0.020 0.000 0.881 1637 D CB 0.588 41.377 40.800 -0.019 0.000 1.212 1637 D HN 0.181 nan 8.370 nan 0.000 0.467 1638 E N 0.444 120.631 120.200 -0.021 0.000 2.106 1638 E HA -0.160 4.176 4.350 -0.022 0.000 0.192 1638 E C 1.677 178.260 176.600 -0.028 0.000 0.984 1638 E CA 0.832 57.218 56.400 -0.023 0.000 0.806 1638 E CB 0.177 29.866 29.700 -0.018 0.000 0.750 1638 E HN 0.446 nan 8.360 nan 0.000 0.458 1639 E N 0.822 121.006 120.200 -0.027 0.000 2.017 1639 E HA -0.176 4.161 4.350 -0.022 0.000 0.193 1639 E C 1.706 178.279 176.600 -0.045 0.000 0.997 1639 E CA 1.344 57.726 56.400 -0.031 0.000 0.804 1639 E CB -0.143 29.542 29.700 -0.025 0.000 0.757 1639 E HN 0.196 nan 8.360 nan 0.000 0.448 1640 N N 0.632 119.302 118.700 -0.049 0.000 2.457 1640 N HA -0.124 4.602 4.740 -0.022 0.000 0.180 1640 N C 1.526 176.988 175.510 -0.080 0.000 1.050 1640 N CA 0.376 53.385 53.050 -0.069 0.000 0.906 1640 N CB -0.040 38.410 38.487 -0.061 0.000 0.968 1640 N HN 0.039 nan 8.380 nan 0.000 0.445 1641 Q N 1.320 121.084 119.800 -0.060 0.000 2.308 1641 Q HA -0.127 4.199 4.340 -0.022 0.000 0.209 1641 Q C 1.057 177.013 176.000 -0.072 0.000 0.985 1641 Q CA 1.570 57.338 55.803 -0.058 0.000 0.881 1641 Q CB 0.107 28.820 28.738 -0.042 0.000 0.917 1641 Q HN 0.382 nan 8.270 nan 0.000 0.443 1642 K N -0.996 119.355 120.400 -0.081 0.000 2.099 1642 K HA -0.039 4.268 4.320 -0.022 0.000 0.203 1642 K C 2.080 178.598 176.600 -0.137 0.000 1.047 1642 K CA 0.877 57.109 56.287 -0.090 0.000 0.963 1642 K CB -0.142 32.313 32.500 -0.075 0.000 0.759 1642 K HN 0.185 nan 8.250 nan 0.000 0.451 1643 Q N 1.009 120.709 119.800 -0.167 0.000 1.890 1643 Q HA -0.180 4.147 4.340 -0.022 0.000 0.208 1643 Q C 2.470 178.242 176.000 -0.382 0.000 0.982 1643 Q CA 2.366 58.011 55.803 -0.264 0.000 0.856 1643 Q CB -0.245 28.345 28.738 -0.246 0.000 0.915 1643 Q HN 0.573 nan 8.270 nan 0.000 0.427 1644 c N 0.100 118.484 118.600 -0.359 0.000 2.397 1644 c HA -0.125 4.431 4.570 -0.022 0.000 0.286 1644 c C 2.268 176.187 174.090 -0.284 0.000 1.308 1644 c CA 0.920 57.011 56.329 -0.397 0.000 1.805 1644 c CB -1.328 41.072 42.510 -0.183 0.000 1.952 1644 c HN 0.648 nan 8.230 nan 0.000 0.518 1645 E N 1.984 122.060 120.200 -0.206 0.000 2.016 1645 E HA -0.125 4.212 4.350 -0.022 0.000 0.190 1645 E C 1.653 178.161 176.600 -0.153 0.000 0.985 1645 E CA 1.855 58.175 56.400 -0.132 0.000 0.802 1645 E CB -0.351 29.292 29.700 -0.094 0.000 0.762 1645 E HN 0.545 nan 8.360 nan 0.000 0.448 1646 D N 0.006 120.289 120.400 -0.196 0.000 2.178 1646 D HA -0.127 4.500 4.640 -0.022 0.000 0.201 1646 D C 1.879 177.995 176.300 -0.306 0.000 0.980 1646 D CA 0.845 54.744 54.000 -0.168 0.000 0.842 1646 D CB -0.059 40.642 40.800 -0.166 0.000 0.948 1646 D HN 0.268 nan 8.370 nan 0.000 0.472 1647 L N 0.137 120.963 121.223 -0.662 0.000 2.270 1647 L HA 0.071 4.397 4.340 -0.022 0.000 0.210 1647 L C 2.171 178.709 176.870 -0.552 0.000 1.104 1647 L CA 0.548 54.687 54.840 -1.167 0.000 0.804 1647 L CB -0.230 40.638 42.059 -1.985 0.000 0.937 1647 L HN -0.051 nan 8.230 nan 0.000 0.450 1648 A N -0.080 122.606 122.820 -0.223 0.000 2.239 1648 A HA -0.089 4.218 4.320 -0.022 0.000 0.209 1648 A C 1.673 179.343 177.584 0.143 0.000 1.171 1648 A CA 0.876 52.976 52.037 0.105 0.000 0.768 1648 A CB -0.405 18.645 19.000 0.083 0.000 0.790 1648 A HN 0.438 nan 8.150 nan 0.000 0.478 1649 N N -1.142 117.648 118.700 0.151 0.000 2.392 1649 N HA 0.036 4.763 4.740 -0.022 0.000 0.177 1649 N C 0.727 176.416 175.510 0.298 0.000 1.066 1649 N CA 0.557 53.724 53.050 0.194 0.000 0.895 1649 N CB -0.184 38.401 38.487 0.163 0.000 0.988 1649 N HN 0.432 nan 8.380 nan 0.000 0.457 1650 F N 1.855 121.816 119.950 0.019 0.000 2.234 1650 F HA 0.040 4.559 4.527 -0.013 0.000 0.296 1650 F C 2.254 178.129 175.800 0.125 0.000 1.089 1650 F CA 0.748 58.779 58.000 0.052 0.000 1.343 1650 F CB -0.997 38.037 39.000 0.058 0.000 1.040 1650 F HN -0.071 nan 8.300 nan 0.000 0.498 1651 T N -0.517 114.275 114.554 0.396 0.000 3.113 1651 T HA -0.062 4.274 4.350 -0.022 0.000 0.263 1651 T C 1.406 176.208 174.700 0.170 0.000 1.143 1651 T CA 1.024 63.288 62.100 0.273 0.000 1.090 1651 T CB -0.085 68.944 68.868 0.269 0.000 0.922 1651 T HN 0.368 nan 8.240 nan 0.000 0.521 1652 E N 0.866 121.159 120.200 0.155 0.000 2.625 1652 E HA 0.161 4.498 4.350 -0.022 0.000 0.185 1652 E C 1.899 178.535 176.600 0.060 0.000 1.085 1652 E CA -0.163 56.291 56.400 0.089 0.000 1.137 1652 E CB -0.186 29.560 29.700 0.076 0.000 1.687 1652 E HN 0.242 nan 8.360 nan 0.000 0.512 1653 N N 0.545 119.273 118.700 0.046 0.000 2.137 1653 N HA -0.140 4.586 4.740 -0.022 0.000 0.190 1653 N C 1.111 176.645 175.510 0.040 0.000 1.017 1653 N CA 0.891 53.947 53.050 0.011 0.000 0.859 1653 N CB 0.132 38.599 38.487 -0.033 0.000 1.002 1653 N HN 0.058 nan 8.380 nan 0.000 0.428 1654 M N 1.055 120.692 119.600 0.062 0.000 2.652 1654 M HA 0.061 4.527 4.480 -0.022 0.000 0.226 1654 M C 0.412 176.907 176.300 0.325 0.000 1.244 1654 M CA 0.243 55.667 55.300 0.207 0.000 0.986 1654 M CB 0.319 32.932 32.600 0.021 0.000 1.666 1654 M HN 0.079 nan 8.290 nan 0.000 0.460 1655 V N -1.339 118.626 119.914 0.085 0.000 3.562 1655 V HA 0.088 4.194 4.120 -0.022 0.000 0.270 1655 V C 1.062 176.971 176.094 -0.308 0.000 1.418 1655 V CA 0.397 62.651 62.300 -0.076 0.000 1.033 1655 V CB 1.263 33.078 31.823 -0.012 0.000 0.820 1655 V HN 0.207 nan 8.190 nan 0.000 0.441 1656 V N 2.242 122.010 119.914 -0.244 0.000 2.778 1656 V HA 0.329 4.435 4.120 -0.022 0.000 0.356 1656 V C 0.187 176.163 176.094 -0.197 0.000 1.283 1656 V CA -0.636 61.506 62.300 -0.263 0.000 1.247 1656 V CB -0.500 31.250 31.823 -0.122 0.000 1.408 1656 V HN 0.396 nan 8.190 nan 0.000 0.620 1657 F N -0.332 119.591 119.950 -0.046 0.000 2.299 1657 F HA 0.873 5.390 4.527 -0.016 0.000 0.293 1657 F C 0.745 176.518 175.800 -0.045 0.000 1.252 1657 F CA -1.293 56.671 58.000 -0.060 0.000 1.160 1657 F CB 0.266 39.216 39.000 -0.083 0.000 1.405 1657 F HN 0.107 nan 8.300 nan 0.000 0.517 1658 G N -1.378 107.631 108.800 0.348 0.000 2.029 1658 G HA2 0.333 4.280 3.960 -0.022 0.000 0.293 1658 G HA3 0.333 4.280 3.960 -0.022 0.000 0.293 1658 G C -0.759 174.217 174.900 0.126 0.000 1.362 1658 G CA -0.536 44.688 45.100 0.206 0.000 1.226 1658 G HN 0.965 nan 8.290 nan 0.000 0.599 1659 c N 1.984 120.651 118.600 0.112 0.000 2.500 1659 c HA 0.073 4.629 4.570 -0.022 0.000 0.273 1659 c C -0.313 173.783 174.090 0.010 0.000 1.428 1659 c CA 0.157 56.495 56.329 0.014 0.000 1.766 1659 c CB -0.558 41.933 42.510 -0.031 0.000 1.817 1659 c HN 0.584 nan 8.230 nan 0.000 0.543 1660 P HA 0.048 nan 4.420 nan 0.000 0.269 1660 P C 0.189 177.492 177.300 0.006 0.000 1.461 1660 P CA 0.287 63.397 63.100 0.015 0.000 0.809 1660 P CB -0.649 31.063 31.700 0.021 0.000 1.503 1661 N N 0.000 118.699 118.700 -0.001 0.000 1.763 1661 N HA 0.000 4.727 4.740 -0.022 0.000 0.220 1661 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 1661 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 1661 N HN 0.000 nan 8.380 nan 0.000 0.667