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 3bvw_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIAPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHSS 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 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.106 174.090 0.026 0.000 1.270 31 c CA 0.000 56.339 56.329 0.017 0.000 1.963 31 c CB 0.000 42.507 42.510 -0.005 0.000 2.134 32 Q N 1.450 121.282 119.800 0.053 0.000 2.364 32 Q HA 0.155 4.495 4.340 -0.001 0.000 0.267 32 Q C -0.172 175.864 176.000 0.060 0.000 0.999 32 Q CA 0.322 56.171 55.803 0.077 0.000 0.886 32 Q CB 0.835 29.655 28.738 0.137 0.000 1.243 32 Q HN 0.663 nan 8.270 nan 0.000 0.415 33 D N 1.599 122.035 120.400 0.059 0.000 2.317 33 D HA 0.049 4.688 4.640 -0.001 0.000 0.252 33 D C 0.419 176.767 176.300 0.080 0.000 1.174 33 D CA -0.179 53.838 54.000 0.028 0.000 0.866 33 D CB 1.306 42.122 40.800 0.027 0.000 1.127 33 D HN 0.375 nan 8.370 nan 0.000 0.467 34 V N 2.114 122.030 119.914 0.002 0.000 3.542 34 V HA 0.117 4.236 4.120 -0.001 0.000 0.296 34 V C 1.068 177.214 176.094 0.087 0.000 1.364 34 V CA 0.015 62.383 62.300 0.114 0.000 1.118 34 V CB 0.249 31.960 31.823 -0.186 0.000 0.972 34 V HN 0.391 nan 8.190 nan 0.000 0.430 35 V N 0.014 119.896 119.914 -0.055 0.000 2.806 35 V HA 0.110 4.230 4.120 -0.001 0.000 0.239 35 V C 2.254 178.325 176.094 -0.038 0.000 1.113 35 V CA 1.258 63.477 62.300 -0.135 0.000 1.137 35 V CB 0.042 31.741 31.823 -0.206 0.000 0.865 35 V HN 0.491 nan 8.190 nan 0.000 0.482 36 Q N -0.367 119.465 119.800 0.052 0.000 2.319 36 Q HA 0.139 4.478 4.340 -0.001 0.000 0.209 36 Q C -0.506 175.580 176.000 0.143 0.000 0.884 36 Q CA 0.183 56.034 55.803 0.079 0.000 0.938 36 Q CB 0.681 29.440 28.738 0.034 0.000 1.098 36 Q HN 0.503 nan 8.270 nan 0.000 0.517 37 D N 1.304 121.820 120.400 0.194 0.000 2.392 37 D HA 0.174 4.814 4.640 -0.001 0.000 0.228 37 D C -0.658 175.762 176.300 0.200 0.000 1.074 37 D CA -0.237 53.862 54.000 0.165 0.000 0.838 37 D CB 2.169 43.043 40.800 0.124 0.000 1.067 37 D HN -0.169 nan 8.370 nan 0.000 0.511 38 V N 4.635 124.630 119.914 0.136 0.000 2.439 38 V HA 0.147 4.266 4.120 -0.001 0.000 0.271 38 V C -1.833 174.242 176.094 -0.030 0.000 1.040 38 V CA -1.202 61.103 62.300 0.009 0.000 1.002 38 V CB 0.523 32.356 31.823 0.016 0.000 1.000 38 V HN 0.319 nan 8.190 nan 0.000 0.477 39 P HA 0.088 nan 4.420 nan 0.000 0.269 39 P C -0.456 176.817 177.300 -0.044 0.000 1.209 39 P CA -0.156 62.916 63.100 -0.047 0.000 0.776 39 P CB 0.358 32.012 31.700 -0.076 0.000 0.876 40 N N 2.346 121.035 118.700 -0.019 0.000 2.439 40 N HA 0.349 5.089 4.740 -0.001 0.000 0.249 40 N C -1.061 174.441 175.510 -0.014 0.000 1.003 40 N CA -0.428 52.613 53.050 -0.015 0.000 0.942 40 N CB 0.144 38.631 38.487 -0.000 0.000 1.115 40 N HN 0.129 nan 8.380 nan 0.000 0.505 41 V N 0.456 120.354 119.914 -0.026 0.000 3.001 41 V HA 0.538 4.657 4.120 -0.001 0.000 0.314 41 V C 0.536 176.615 176.094 -0.025 0.000 1.099 41 V CA -0.741 61.545 62.300 -0.022 0.000 0.989 41 V CB 2.071 33.870 31.823 -0.040 0.000 1.040 41 V HN 0.420 nan 8.190 nan 0.000 0.434 42 D N 0.927 121.319 120.400 -0.014 0.000 2.144 42 D HA 0.020 4.659 4.640 -0.001 0.000 0.200 42 D C 0.497 176.765 176.300 -0.053 0.000 0.978 42 D CA 1.606 55.594 54.000 -0.019 0.000 0.833 42 D CB 0.479 41.284 40.800 0.007 0.000 0.961 42 D HN 0.413 nan 8.370 nan 0.000 0.470 43 V N 1.533 121.393 119.914 -0.090 0.000 2.483 43 V HA 0.208 4.327 4.120 -0.001 0.000 0.297 43 V C -0.350 175.645 176.094 -0.163 0.000 1.027 43 V CA -0.722 61.494 62.300 -0.140 0.000 0.855 43 V CB 2.361 34.056 31.823 -0.214 0.000 0.995 43 V HN -0.068 nan 8.190 nan 0.000 0.424 44 Q N 4.598 124.314 119.800 -0.140 0.000 2.341 44 Q HA 0.432 4.771 4.340 -0.001 0.000 0.268 44 Q C 0.369 176.271 176.000 -0.164 0.000 1.013 44 Q CA -0.678 55.034 55.803 -0.151 0.000 0.798 44 Q CB 1.885 30.557 28.738 -0.111 0.000 1.253 44 Q HN 0.666 nan 8.270 nan 0.000 0.457 45 M N 3.040 122.495 119.600 -0.242 0.000 2.213 45 M HA -0.146 4.334 4.480 -0.001 0.000 0.263 45 M C 1.608 177.802 176.300 -0.177 0.000 1.062 45 M CA 0.923 56.067 55.300 -0.260 0.000 1.105 45 M CB -0.789 31.522 32.600 -0.482 0.000 1.385 45 M HN 0.581 nan 8.290 nan 0.000 0.417 46 L N 0.632 121.745 121.223 -0.183 0.000 2.056 46 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 46 L C 2.139 178.999 176.870 -0.016 0.000 1.078 46 L CA 1.832 56.599 54.840 -0.122 0.000 0.749 46 L CB -0.477 41.485 42.059 -0.161 0.000 0.901 46 L HN 0.304 nan 8.230 nan 0.000 0.433 47 E N -0.853 119.324 120.200 -0.038 0.000 2.072 47 E HA -0.243 4.107 4.350 -0.001 0.000 0.191 47 E C 2.101 178.712 176.600 0.018 0.000 0.985 47 E CA 1.278 57.671 56.400 -0.012 0.000 0.801 47 E CB -0.284 29.394 29.700 -0.036 0.000 0.750 47 E HN 0.382 nan 8.360 nan 0.000 0.452 48 L N 0.226 121.458 121.223 0.016 0.000 2.017 48 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 48 L C 2.033 178.969 176.870 0.110 0.000 1.073 48 L CA 1.734 56.592 54.840 0.029 0.000 0.745 48 L CB -0.594 41.470 42.059 0.009 0.000 0.894 48 L HN 0.102 nan 8.230 nan 0.000 0.432 49 Y N 0.064 120.362 120.300 -0.002 0.000 2.165 49 Y HA -0.281 4.269 4.550 -0.001 0.000 0.286 49 Y C 2.572 178.558 175.900 0.144 0.000 1.155 49 Y CA 1.888 60.071 58.100 0.138 0.000 1.164 49 Y CB -0.692 37.853 38.460 0.143 0.000 0.978 49 Y HN 0.386 nan 8.280 nan 0.000 0.513 50 D N -0.436 120.075 120.400 0.185 0.000 2.178 50 D HA -0.157 4.483 4.640 -0.001 0.000 0.202 50 D C 2.282 178.623 176.300 0.067 0.000 0.974 50 D CA 1.154 55.217 54.000 0.105 0.000 0.841 50 D CB -0.090 40.746 40.800 0.060 0.000 0.953 50 D HN 0.328 nan 8.370 nan 0.000 0.478 51 R N -0.910 119.612 120.500 0.036 0.000 2.223 51 R HA 0.148 4.488 4.340 -0.001 0.000 0.198 51 R C 0.644 176.919 176.300 -0.042 0.000 0.984 51 R CA -0.163 55.934 56.100 -0.005 0.000 1.018 51 R CB -0.003 30.285 30.300 -0.021 0.000 0.945 51 R HN 0.115 nan 8.270 nan 0.000 0.479 52 M N 1.185 120.728 119.600 -0.095 0.000 2.249 52 M HA -0.053 4.427 4.480 -0.001 0.000 0.340 52 M C 1.409 177.604 176.300 -0.174 0.000 1.166 52 M CA 0.265 55.405 55.300 -0.266 0.000 1.115 52 M CB 1.581 33.759 32.600 -0.704 0.000 1.606 52 M HN 0.147 nan 8.290 nan 0.000 0.448 53 S N 2.800 118.384 115.700 -0.192 0.000 2.446 53 S HA -0.020 4.450 4.470 -0.001 0.000 0.225 53 S C 0.800 175.482 174.600 0.136 0.000 1.016 53 S CA 0.374 58.564 58.200 -0.017 0.000 0.943 53 S CB -0.199 62.985 63.200 -0.027 0.000 0.786 53 S HN 0.762 nan 8.310 nan 0.000 0.508 54 F N 0.233 120.112 119.950 -0.117 0.000 3.048 54 F HA -0.159 4.368 4.527 -0.000 0.000 0.287 54 F C 0.335 176.149 175.800 0.023 0.000 0.796 54 F CA 0.616 58.558 58.000 -0.097 0.000 1.111 54 F CB -1.907 37.013 39.000 -0.133 0.000 1.320 54 F HN 0.127 nan 8.300 nan 0.000 0.430 55 K N 1.331 121.814 120.400 0.137 0.000 2.448 55 K HA 0.123 4.442 4.320 -0.001 0.000 0.278 55 K C 0.258 176.965 176.600 0.178 0.000 1.009 55 K CA 0.052 56.420 56.287 0.136 0.000 0.995 55 K CB 0.460 33.001 32.500 0.070 0.000 0.917 55 K HN 0.093 nan 8.250 nan 0.000 0.481 56 D N 3.659 124.175 120.400 0.192 0.000 2.505 56 D HA 0.168 4.807 4.640 -0.001 0.000 0.242 56 D C -0.161 176.188 176.300 0.082 0.000 1.136 56 D CA -0.511 53.615 54.000 0.209 0.000 0.954 56 D CB -0.341 40.603 40.800 0.239 0.000 1.002 56 D HN 0.453 nan 8.370 nan 0.000 0.512 57 I N -1.132 119.473 120.570 0.058 0.000 2.577 57 I HA 0.511 4.681 4.170 -0.001 0.000 0.305 57 I C 0.030 176.139 176.117 -0.014 0.000 0.986 57 I CA -0.960 60.350 61.300 0.018 0.000 1.189 57 I CB 1.591 39.600 38.000 0.016 0.000 1.355 57 I HN -0.062 nan 8.210 nan 0.000 0.476 58 D N 3.919 124.309 120.400 -0.017 0.000 2.346 58 D HA 0.177 4.817 4.640 -0.001 0.000 0.260 58 D C 0.987 177.272 176.300 -0.024 0.000 1.252 58 D CA 0.128 54.111 54.000 -0.028 0.000 0.895 58 D CB 1.474 42.265 40.800 -0.015 0.000 1.097 58 D HN 0.819 nan 8.370 nan 0.000 0.489 59 G N 2.402 111.170 108.800 -0.053 0.000 2.985 59 G HA2 0.432 4.391 3.960 -0.001 0.000 0.209 59 G HA3 0.432 4.391 3.960 -0.001 0.000 0.209 59 G C 0.886 175.785 174.900 -0.001 0.000 1.165 59 G CA 0.397 45.466 45.100 -0.052 0.000 0.776 59 G HN 0.932 nan 8.290 nan 0.000 0.541 60 G N -0.578 108.226 108.800 0.007 0.000 2.445 60 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.212 60 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.212 60 G C 1.178 176.098 174.900 0.035 0.000 1.217 60 G CA 0.689 45.806 45.100 0.028 0.000 1.002 60 G HN 1.095 nan 8.290 nan 0.000 0.574 61 V N -3.596 116.337 119.914 0.031 0.000 2.392 61 V HA 0.071 4.191 4.120 -0.001 0.000 0.249 61 V C 1.464 177.584 176.094 0.044 0.000 1.059 61 V CA 2.410 64.711 62.300 0.002 0.000 1.051 61 V CB -0.606 31.180 31.823 -0.061 0.000 0.658 61 V HN 1.434 nan 8.190 nan 0.000 0.455 62 W N 2.790 123.993 121.300 -0.160 0.000 2.422 62 W HA 0.421 5.080 4.660 -0.001 0.000 0.349 62 W C 1.158 177.638 176.519 -0.065 0.000 1.062 62 W CA -1.689 55.554 57.345 -0.170 0.000 1.497 62 W CB 0.221 29.541 29.460 -0.234 0.000 1.407 62 W HN 0.136 nan 8.180 nan 0.000 0.393 63 K N 2.700 123.183 120.400 0.140 0.000 2.209 63 K HA -0.164 4.156 4.320 -0.001 0.000 0.204 63 K C 0.862 177.374 176.600 -0.146 0.000 1.048 63 K CA 1.307 57.582 56.287 -0.021 0.000 0.940 63 K CB 0.248 32.732 32.500 -0.028 0.000 0.729 63 K HN 0.503 nan 8.250 nan 0.000 0.451 64 Q N -0.515 119.144 119.800 -0.235 0.000 2.172 64 Q HA 0.134 4.473 4.340 -0.001 0.000 0.217 64 Q C 0.616 176.244 176.000 -0.619 0.000 0.832 64 Q CA -0.468 55.182 55.803 -0.255 0.000 1.010 64 Q CB 1.507 30.239 28.738 -0.010 0.000 1.133 64 Q HN 0.242 nan 8.270 nan 0.000 0.489 65 G N 0.593 108.597 108.800 -1.326 0.000 3.407 65 G HA2 0.520 4.479 3.960 -0.001 0.000 0.187 65 G HA3 0.520 4.479 3.960 -0.001 0.000 0.187 65 G C -1.392 173.203 174.900 -0.508 0.000 1.262 65 G CA -0.357 43.662 45.100 -1.803 0.000 0.808 65 G HN 0.347 nan 8.290 nan 0.000 0.687 66 W N -1.446 119.586 121.300 -0.446 0.000 2.988 66 W HA 0.639 5.299 4.660 -0.000 0.000 0.355 66 W C -1.393 175.217 176.519 0.152 0.000 1.233 66 W CA -1.181 56.118 57.345 -0.077 0.000 1.176 66 W CB 0.694 30.124 29.460 -0.051 0.000 1.477 66 W HN 0.180 nan 8.180 nan 0.000 0.582 67 N N 2.148 120.990 118.700 0.237 0.000 2.402 67 N HA 0.203 4.943 4.740 -0.001 0.000 0.259 67 N C -0.292 175.344 175.510 0.211 0.000 1.167 67 N CA 0.060 53.206 53.050 0.160 0.000 0.949 67 N CB 0.204 38.788 38.487 0.161 0.000 1.212 67 N HN 0.404 nan 8.380 nan 0.000 0.493 68 I N 2.088 122.684 120.570 0.044 0.000 2.588 68 I HA 0.010 4.180 4.170 -0.001 0.000 0.283 68 I C 0.749 177.023 176.117 0.262 0.000 1.119 68 I CA 0.284 61.691 61.300 0.177 0.000 1.419 68 I CB 0.500 38.548 38.000 0.079 0.000 1.394 68 I HN 0.126 nan 8.210 nan 0.000 0.562 69 K N 6.097 126.688 120.400 0.318 0.000 2.259 69 K HA 0.593 4.913 4.320 -0.001 0.000 0.249 69 K C -1.329 175.435 176.600 0.274 0.000 0.942 69 K CA -0.669 55.737 56.287 0.199 0.000 0.816 69 K CB 2.223 34.805 32.500 0.136 0.000 1.155 69 K HN 0.476 nan 8.250 nan 0.000 0.428 70 Y N -1.977 118.412 120.300 0.147 0.000 2.581 70 Y HA 0.471 5.021 4.550 -0.001 0.000 0.345 70 Y C -1.059 174.912 175.900 0.118 0.000 1.036 70 Y CA -1.535 56.652 58.100 0.146 0.000 1.042 70 Y CB 1.206 39.772 38.460 0.176 0.000 1.289 70 Y HN 0.391 nan 8.280 nan 0.000 0.471 71 D N 2.750 123.301 120.400 0.252 0.000 2.313 71 D HA 0.334 4.973 4.640 -0.001 0.000 0.239 71 D C -1.918 174.541 176.300 0.265 0.000 1.142 71 D CA -2.708 51.378 54.000 0.144 0.000 0.847 71 D CB 1.733 42.595 40.800 0.103 0.000 1.082 71 D HN 0.356 nan 8.370 nan 0.000 0.480 72 P HA -0.080 nan 4.420 nan 0.000 0.219 72 P C 1.407 178.847 177.300 0.233 0.000 1.146 72 P CA 0.799 64.087 63.100 0.313 0.000 0.808 72 P CB 0.210 32.028 31.700 0.197 0.000 0.779 73 L N -0.817 120.493 121.223 0.145 0.000 2.622 73 L HA -0.010 4.329 4.340 -0.001 0.000 0.233 73 L C 2.437 179.348 176.870 0.069 0.000 1.156 73 L CA 0.695 55.596 54.840 0.102 0.000 0.866 73 L CB -0.651 41.447 42.059 0.065 0.000 0.980 73 L HN 0.007 nan 8.230 nan 0.000 0.448 74 K N 0.445 120.871 120.400 0.043 0.000 2.057 74 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 74 K C -0.002 176.457 176.600 -0.234 0.000 1.049 74 K CA 1.151 57.351 56.287 -0.144 0.000 0.931 74 K CB 0.066 32.417 32.500 -0.248 0.000 0.714 74 K HN 0.115 nan 8.250 nan 0.000 0.440 75 Y N 0.722 121.142 120.300 0.200 0.000 2.361 75 Y HA 0.219 4.769 4.550 -0.000 0.000 0.332 75 Y C 0.097 176.076 175.900 0.131 0.000 1.101 75 Y CA -0.971 57.237 58.100 0.179 0.000 1.137 75 Y CB 1.422 39.939 38.460 0.095 0.000 1.207 75 Y HN 0.283 nan 8.280 nan 0.000 0.463 76 N N -0.299 118.552 118.700 0.251 0.000 3.364 76 N HA 0.470 5.209 4.740 -0.001 0.000 0.294 76 N C -0.016 175.519 175.510 0.041 0.000 1.562 76 N CA -0.380 52.745 53.050 0.126 0.000 0.862 76 N CB 0.333 38.885 38.487 0.109 0.000 1.691 76 N HN 0.480 nan 8.380 nan 0.000 0.572 77 A N -1.169 121.586 122.820 -0.109 0.000 1.978 77 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 77 A C 0.943 178.338 177.584 -0.315 0.000 1.170 77 A CA 1.355 53.224 52.037 -0.280 0.000 0.636 77 A CB -1.112 17.621 19.000 -0.444 0.000 0.810 77 A HN 0.693 nan 8.150 nan 0.000 0.448 78 H N -2.620 116.511 119.070 0.102 0.000 2.526 78 H HA 0.166 4.722 4.556 -0.001 0.000 0.274 78 H C -0.399 175.043 175.328 0.190 0.000 0.999 78 H CA 0.784 56.898 56.048 0.109 0.000 1.157 78 H CB -0.024 29.785 29.762 0.079 0.000 1.407 78 H HN 0.737 nan 8.280 nan 0.000 0.568 79 H N 0.273 119.420 119.070 0.128 0.000 3.006 79 H HA 0.262 4.818 4.556 -0.000 0.000 0.304 79 H C -0.872 174.602 175.328 0.244 0.000 1.403 79 H CA -0.430 55.716 56.048 0.163 0.000 1.615 79 H CB 0.226 30.072 29.762 0.140 0.000 1.935 79 H HN -0.036 nan 8.280 nan 0.000 0.626 80 K N 2.041 122.416 120.400 -0.042 0.000 2.087 80 K HA 0.354 4.674 4.320 -0.001 0.000 0.255 80 K C -0.692 175.733 176.600 -0.292 0.000 0.988 80 K CA -1.259 54.978 56.287 -0.083 0.000 0.915 80 K CB 1.630 34.066 32.500 -0.108 0.000 1.043 80 K HN 0.226 nan 8.250 nan 0.000 0.457 81 L N 2.174 123.084 121.223 -0.522 0.000 2.281 81 L HA 0.178 4.517 4.340 -0.001 0.000 0.285 81 L C -0.910 175.690 176.870 -0.451 0.000 1.074 81 L CA 0.294 54.694 54.840 -0.734 0.000 0.817 81 L CB 0.315 41.764 42.059 -1.017 0.000 1.168 81 L HN 0.386 nan 8.230 nan 0.000 0.434 82 K N 5.057 125.223 120.400 -0.390 0.000 2.281 82 K HA 0.486 4.805 4.320 -0.001 0.000 0.272 82 K C -1.223 175.041 176.600 -0.560 0.000 1.048 82 K CA -0.659 55.361 56.287 -0.445 0.000 0.898 82 K CB 1.635 33.935 32.500 -0.334 0.000 1.128 82 K HN 0.391 nan 8.250 nan 0.000 0.460 83 V N 4.805 124.272 119.914 -0.744 0.000 2.370 83 V HA 0.357 4.477 4.120 -0.001 0.000 0.283 83 V C -0.673 174.865 176.094 -0.926 0.000 1.023 83 V CA -0.707 61.101 62.300 -0.821 0.000 0.857 83 V CB 0.423 31.579 31.823 -1.112 0.000 0.985 83 V HN 0.551 nan 8.190 nan 0.000 0.443 84 F N 3.704 123.396 119.950 -0.430 0.000 2.361 84 F HA 0.490 5.017 4.527 -0.001 0.000 0.364 84 F C 0.172 175.781 175.800 -0.317 0.000 1.117 84 F CA -0.726 57.077 58.000 -0.328 0.000 1.071 84 F CB 1.773 40.650 39.000 -0.204 0.000 1.188 84 F HN 0.190 nan 8.300 nan 0.000 0.464 85 V N 5.183 125.042 119.914 -0.092 0.000 2.385 85 V HA 0.270 4.390 4.120 -0.001 0.000 0.269 85 V C -0.205 175.977 176.094 0.147 0.000 1.043 85 V CA -0.615 61.696 62.300 0.020 0.000 0.906 85 V CB 1.230 33.130 31.823 0.130 0.000 0.995 85 V HN 0.436 nan 8.190 nan 0.000 0.467 86 V N 8.372 128.326 119.914 0.066 0.000 2.293 86 V HA 0.316 4.436 4.120 -0.001 0.000 0.275 86 V C -2.377 173.748 176.094 0.051 0.000 1.021 86 V CA -1.938 60.370 62.300 0.013 0.000 0.815 86 V CB 1.468 33.207 31.823 -0.139 0.000 1.025 86 V HN 0.723 nan 8.190 nan 0.000 0.448 87 P HA 0.331 nan 4.420 nan 0.000 0.271 87 P C -0.857 176.425 177.300 -0.030 0.000 1.216 87 P CA 0.259 63.319 63.100 -0.066 0.000 0.771 87 P CB 0.358 31.819 31.700 -0.398 0.000 0.864 88 H N -1.020 118.037 119.070 -0.021 0.000 2.990 88 H HA 0.800 5.355 4.556 -0.001 0.000 0.336 88 H C -1.480 173.953 175.328 0.176 0.000 1.306 88 H CA -1.134 54.811 56.048 -0.171 0.000 1.118 88 H CB 0.983 30.585 29.762 -0.267 0.000 1.856 88 H HN 0.194 nan 8.280 nan 0.000 0.538 89 S N 0.576 116.294 115.700 0.030 0.000 2.750 89 S HA 0.201 4.671 4.470 -0.001 0.000 0.276 89 S C -1.842 172.687 174.600 -0.118 0.000 1.165 89 S CA -0.663 57.595 58.200 0.097 0.000 1.047 89 S CB 0.138 63.577 63.200 0.398 0.000 1.056 89 S HN 0.845 nan 8.310 nan 0.000 0.481 90 H N 4.455 123.433 119.070 -0.154 0.000 2.864 90 H HA 0.410 4.966 4.556 -0.001 0.000 0.281 90 H C -0.087 174.856 175.328 -0.642 0.000 1.093 90 H CA 0.353 56.224 56.048 -0.295 0.000 1.453 90 H CB 0.217 29.857 29.762 -0.203 0.000 1.462 90 H HN 0.546 nan 8.280 nan 0.000 0.480 91 N N 5.440 123.494 118.700 -1.077 0.000 2.511 91 N HA 0.054 4.794 4.740 -0.001 0.000 0.249 91 N C -1.162 173.875 175.510 -0.788 0.000 0.971 91 N CA -0.622 51.668 53.050 -1.267 0.000 0.938 91 N CB 1.073 39.104 38.487 -0.761 0.000 1.131 91 N HN 0.653 nan 8.380 nan 0.000 0.505 92 D N 2.810 122.769 120.400 -0.734 0.000 2.343 92 D HA 0.115 4.755 4.640 -0.001 0.000 0.255 92 D C -2.085 174.271 176.300 0.093 0.000 1.187 92 D CA -0.982 52.885 54.000 -0.222 0.000 0.875 92 D CB 1.407 42.351 40.800 0.239 0.000 1.136 92 D HN 0.201 nan 8.370 nan 0.000 0.469 93 P HA 0.200 nan 4.420 nan 0.000 0.230 93 P C 0.037 177.533 177.300 0.327 0.000 1.791 93 P CA -0.058 63.050 63.100 0.013 0.000 1.020 93 P CB 0.216 31.774 31.700 -0.236 0.000 1.977 94 G N 0.666 109.844 108.800 0.630 0.000 2.907 94 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.686 94 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.686 94 G C -1.008 174.430 174.900 0.897 0.000 1.115 94 G CA -0.548 44.937 45.100 0.642 0.000 0.760 94 G HN 0.384 nan 8.290 nan 0.000 0.620 95 W N 2.232 123.877 121.300 0.576 0.000 4.511 95 W HA 0.256 4.916 4.660 -0.001 0.000 0.159 95 W C 1.013 177.722 176.519 0.315 0.000 3.471 95 W CA 0.948 58.601 57.345 0.514 0.000 1.173 95 W CB -0.809 29.038 29.460 0.644 0.000 2.090 95 W HN 0.534 nan 8.180 nan 0.000 0.393 96 I N 2.159 122.731 120.570 0.004 0.000 3.030 96 I HA 0.109 4.278 4.170 -0.001 0.000 0.270 96 I C 0.478 176.480 176.117 -0.191 0.000 1.211 96 I CA 1.136 62.270 61.300 -0.277 0.000 1.479 96 I CB -1.267 36.539 38.000 -0.324 0.000 1.105 96 I HN 0.001 nan 8.210 nan 0.000 0.447 97 Q N 0.526 120.051 119.800 -0.460 0.000 2.433 97 Q HA 0.364 4.704 4.340 -0.001 0.000 0.279 97 Q C 0.143 175.892 176.000 -0.418 0.000 1.105 97 Q CA -0.393 55.076 55.803 -0.558 0.000 0.815 97 Q CB 2.281 30.389 28.738 -1.049 0.000 1.403 97 Q HN 0.280 nan 8.270 nan 0.000 0.435 98 T N -2.230 112.191 114.554 -0.222 0.000 2.766 98 T HA 0.141 4.490 4.350 -0.001 0.000 0.295 98 T C 1.113 175.889 174.700 0.126 0.000 1.024 98 T CA -0.438 61.607 62.100 -0.092 0.000 1.018 98 T CB 0.271 69.117 68.868 -0.036 0.000 1.002 98 T HN 0.516 nan 8.240 nan 0.000 0.532 99 F N 1.271 121.285 119.950 0.105 0.000 2.063 99 F HA -0.177 4.350 4.527 -0.001 0.000 0.298 99 F C 2.480 178.459 175.800 0.297 0.000 1.109 99 F CA 2.475 60.612 58.000 0.229 0.000 1.212 99 F CB -0.393 38.628 39.000 0.036 0.000 0.973 99 F HN 0.794 nan 8.300 nan 0.000 0.480 100 E N 0.324 120.720 120.200 0.327 0.000 2.106 100 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 100 E C 2.023 178.669 176.600 0.077 0.000 0.984 100 E CA 1.762 58.303 56.400 0.235 0.000 0.806 100 E CB -0.295 29.541 29.700 0.226 0.000 0.750 100 E HN 0.623 nan 8.360 nan 0.000 0.458 101 E N -1.018 119.162 120.200 -0.033 0.000 2.051 101 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 101 E C 1.842 178.229 176.600 -0.355 0.000 0.991 101 E CA 1.160 57.374 56.400 -0.309 0.000 0.799 101 E CB -0.252 29.321 29.700 -0.212 0.000 0.748 101 E HN 0.338 nan 8.360 nan 0.000 0.449 102 Y N -0.482 119.760 120.300 -0.097 0.000 2.181 102 Y HA -0.255 4.295 4.550 -0.001 0.000 0.288 102 Y C 2.202 178.036 175.900 -0.110 0.000 1.146 102 Y CA 1.203 59.242 58.100 -0.102 0.000 1.164 102 Y CB -0.752 37.755 38.460 0.079 0.000 0.982 102 Y HN 0.195 nan 8.280 nan 0.000 0.515 103 Y N 0.784 121.089 120.300 0.008 0.000 2.145 103 Y HA -0.268 4.281 4.550 -0.001 0.000 0.286 103 Y C 2.258 178.120 175.900 -0.064 0.000 1.145 103 Y CA 1.852 59.910 58.100 -0.070 0.000 1.148 103 Y CB -0.318 38.097 38.460 -0.076 0.000 0.981 103 Y HN 0.045 nan 8.280 nan 0.000 0.507 104 Q N -0.677 119.025 119.800 -0.164 0.000 2.123 104 Q HA -0.148 4.192 4.340 -0.001 0.000 0.199 104 Q C 2.064 178.039 176.000 -0.041 0.000 0.966 104 Q CA 2.047 57.733 55.803 -0.195 0.000 0.845 104 Q CB -0.503 28.170 28.738 -0.109 0.000 0.907 104 Q HN 0.775 nan 8.270 nan 0.000 0.439 105 H N -0.846 118.239 119.070 0.025 0.000 2.497 105 H HA 0.063 4.619 4.556 -0.001 0.000 0.282 105 H C 0.906 176.323 175.328 0.150 0.000 1.003 105 H CA 0.525 56.621 56.048 0.081 0.000 1.307 105 H CB 0.734 30.508 29.762 0.020 0.000 1.437 105 H HN 0.178 nan 8.280 nan 0.000 0.544 106 D N -1.095 119.414 120.400 0.182 0.000 3.081 106 D HA 0.014 4.653 4.640 -0.001 0.000 0.243 106 D C 1.714 178.073 176.300 0.098 0.000 1.388 106 D CA 0.512 54.606 54.000 0.156 0.000 1.245 106 D CB 0.084 40.865 40.800 -0.031 0.000 1.319 106 D HN 0.048 nan 8.370 nan 0.000 0.377 107 T N 2.440 116.964 114.554 -0.050 0.000 2.821 107 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 107 T C 1.916 176.445 174.700 -0.284 0.000 1.046 107 T CA 1.314 63.346 62.100 -0.112 0.000 1.139 107 T CB -0.025 68.613 68.868 -0.383 0.000 0.871 107 T HN 0.237 nan 8.240 nan 0.000 0.454 108 K N 0.747 120.792 120.400 -0.593 0.000 2.148 108 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 108 K C 1.898 178.239 176.600 -0.432 0.000 1.050 108 K CA 1.361 57.280 56.287 -0.614 0.000 0.942 108 K CB -0.352 31.575 32.500 -0.954 0.000 0.724 108 K HN 0.388 nan 8.250 nan 0.000 0.446 109 H N 1.007 120.002 119.070 -0.125 0.000 2.395 109 H HA 0.063 4.618 4.556 -0.001 0.000 0.299 109 H C 2.280 177.608 175.328 0.001 0.000 1.070 109 H CA 1.361 57.394 56.048 -0.026 0.000 1.356 109 H CB -0.130 29.643 29.762 0.017 0.000 1.401 109 H HN 0.185 nan 8.280 nan 0.000 0.524 110 I N 0.756 121.408 120.570 0.136 0.000 2.163 110 I HA -0.278 3.891 4.170 -0.001 0.000 0.243 110 I C 2.435 178.570 176.117 0.029 0.000 1.085 110 I CA 1.146 62.572 61.300 0.209 0.000 1.347 110 I CB -0.267 37.927 38.000 0.324 0.000 1.044 110 I HN 0.097 nan 8.210 nan 0.000 0.408 111 L N -0.396 120.620 121.223 -0.345 0.000 2.093 111 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 111 L C 2.677 179.202 176.870 -0.575 0.000 1.085 111 L CA 0.962 55.355 54.840 -0.745 0.000 0.755 111 L CB -0.464 40.552 42.059 -1.740 0.000 0.904 111 L HN 0.173 nan 8.230 nan 0.000 0.435 112 S N 0.141 115.633 115.700 -0.347 0.000 2.356 112 S HA -0.150 4.320 4.470 -0.001 0.000 0.223 112 S C 1.712 176.287 174.600 -0.042 0.000 1.032 112 S CA 1.457 59.692 58.200 0.060 0.000 1.005 112 S CB -0.278 63.013 63.200 0.151 0.000 0.867 112 S HN 0.454 nan 8.310 nan 0.000 0.449 113 N N 1.565 120.228 118.700 -0.062 0.000 2.354 113 N HA 0.126 4.866 4.740 -0.001 0.000 0.179 113 N C 1.722 176.878 175.510 -0.590 0.000 1.021 113 N CA 0.977 53.908 53.050 -0.197 0.000 0.887 113 N CB -0.564 37.919 38.487 -0.007 0.000 0.974 113 N HN 0.390 nan 8.380 nan 0.000 0.437 114 A N 1.107 123.654 122.820 -0.456 0.000 1.902 114 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 114 A C 2.186 179.497 177.584 -0.454 0.000 1.181 114 A CA 0.962 52.573 52.037 -0.710 0.000 0.623 114 A CB -0.690 18.191 19.000 -0.199 0.000 0.818 114 A HN 0.234 nan 8.150 nan 0.000 0.443 115 L N 0.169 121.270 121.223 -0.202 0.000 2.012 115 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 115 L C 2.473 179.278 176.870 -0.109 0.000 1.073 115 L CA 2.596 57.394 54.840 -0.070 0.000 0.748 115 L CB -0.677 41.411 42.059 0.049 0.000 0.891 115 L HN 0.510 nan 8.230 nan 0.000 0.431 116 R N -1.721 118.685 120.500 -0.158 0.000 2.070 116 R HA -0.250 4.090 4.340 -0.001 0.000 0.233 116 R C 2.415 178.623 176.300 -0.154 0.000 1.137 116 R CA 1.998 58.025 56.100 -0.123 0.000 0.945 116 R CB -0.585 29.649 30.300 -0.109 0.000 0.845 116 R HN 0.560 nan 8.270 nan 0.000 0.430 117 H N 0.097 118.880 119.070 -0.478 0.000 2.395 117 H HA 0.033 4.588 4.556 -0.001 0.000 0.299 117 H C 2.046 177.158 175.328 -0.360 0.000 1.070 117 H CA 1.855 57.598 56.048 -0.509 0.000 1.356 117 H CB 0.024 29.184 29.762 -1.003 0.000 1.401 117 H HN 0.148 nan 8.280 nan 0.000 0.524 118 L N -1.013 120.037 121.223 -0.289 0.000 2.056 118 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 118 L C 2.419 179.247 176.870 -0.071 0.000 1.078 118 L CA 1.534 56.287 54.840 -0.144 0.000 0.749 118 L CB -0.548 41.449 42.059 -0.103 0.000 0.901 118 L HN 0.408 nan 8.230 nan 0.000 0.433 119 H N 0.382 119.374 119.070 -0.130 0.000 2.319 119 H HA -0.220 4.335 4.556 -0.001 0.000 0.297 119 H C 1.639 176.907 175.328 -0.099 0.000 1.097 119 H CA 2.167 58.164 56.048 -0.085 0.000 1.285 119 H CB 0.069 29.790 29.762 -0.069 0.000 1.368 119 H HN 0.219 nan 8.280 nan 0.000 0.495 120 D N -0.444 119.876 120.400 -0.134 0.000 2.347 120 D HA 0.006 4.645 4.640 -0.001 0.000 0.213 120 D C -0.206 175.969 176.300 -0.207 0.000 0.985 120 D CA 0.482 54.368 54.000 -0.191 0.000 0.879 120 D CB 0.079 40.786 40.800 -0.155 0.000 0.919 120 D HN 0.403 nan 8.370 nan 0.000 0.526 121 N N 0.633 119.211 118.700 -0.202 0.000 2.716 121 N HA 0.144 4.884 4.740 -0.001 0.000 0.253 121 N C -2.204 173.270 175.510 -0.059 0.000 1.170 121 N CA -1.058 51.912 53.050 -0.132 0.000 0.807 121 N CB 2.339 40.726 38.487 -0.167 0.000 1.183 121 N HN -0.129 nan 8.380 nan 0.000 0.524 122 P HA -0.098 nan 4.420 nan 0.000 0.221 122 P C 0.931 178.252 177.300 0.035 0.000 1.145 122 P CA 1.211 64.299 63.100 -0.021 0.000 0.795 122 P CB 0.542 32.225 31.700 -0.027 0.000 0.775 123 E N -1.716 118.534 120.200 0.083 0.000 2.442 123 E HA 0.055 4.404 4.350 -0.001 0.000 0.195 123 E C 0.832 177.568 176.600 0.226 0.000 1.030 123 E CA 0.083 56.580 56.400 0.163 0.000 0.869 123 E CB -0.379 29.449 29.700 0.214 0.000 0.857 123 E HN 0.255 nan 8.360 nan 0.000 0.505 124 M N 1.608 121.277 119.600 0.115 0.000 2.243 124 M HA 0.097 4.576 4.480 -0.001 0.000 0.341 124 M C -0.301 175.984 176.300 -0.025 0.000 1.130 124 M CA 0.250 55.515 55.300 -0.059 0.000 1.162 124 M CB 0.463 33.035 32.600 -0.048 0.000 1.497 124 M HN -0.341 nan 8.290 nan 0.000 0.456 125 K N 3.114 123.461 120.400 -0.087 0.000 2.444 125 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 125 K C -1.738 174.899 176.600 0.063 0.000 0.993 125 K CA -0.540 55.758 56.287 0.018 0.000 0.847 125 K CB 2.284 34.820 32.500 0.059 0.000 1.340 125 K HN 0.652 nan 8.250 nan 0.000 0.446 126 F N 1.552 121.421 119.950 -0.136 0.000 2.654 126 F HA 0.424 4.951 4.527 -0.001 0.000 0.314 126 F C -1.462 174.234 175.800 -0.173 0.000 1.116 126 F CA -1.273 56.631 58.000 -0.160 0.000 1.017 126 F CB 1.007 39.996 39.000 -0.017 0.000 1.285 126 F HN 0.454 nan 8.300 nan 0.000 0.448 127 I N 1.807 122.035 120.570 -0.569 0.000 2.648 127 I HA 0.613 4.782 4.170 -0.001 0.000 0.304 127 I C -1.705 173.989 176.117 -0.705 0.000 1.009 127 I CA -0.630 60.309 61.300 -0.601 0.000 1.114 127 I CB 2.572 40.158 38.000 -0.691 0.000 1.293 127 I HN 0.693 nan 8.210 nan 0.000 0.449 128 W N 4.432 125.347 121.300 -0.643 0.000 2.957 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.336 128 W C -0.743 175.702 176.519 -0.124 0.000 1.087 128 W CA -0.557 56.541 57.345 -0.412 0.000 1.235 128 W CB 2.662 31.926 29.460 -0.327 0.000 1.399 128 W HN 0.789 nan 8.180 nan 0.000 0.480 129 A N 3.479 125.935 122.820 -0.607 0.000 2.013 129 A HA 0.161 4.480 4.320 -0.001 0.000 0.204 129 A C -0.030 177.505 177.584 -0.082 0.000 1.262 129 A CA 0.505 52.426 52.037 -0.194 0.000 0.800 129 A CB 0.045 18.979 19.000 -0.109 0.000 0.909 129 A HN 0.499 nan 8.150 nan 0.000 0.472 130 E N 0.941 120.985 120.200 -0.259 0.000 2.014 130 E HA 0.320 4.670 4.350 -0.001 0.000 0.275 130 E C 0.422 177.181 176.600 0.265 0.000 0.997 130 E CA -0.278 56.133 56.400 0.019 0.000 0.804 130 E CB 0.806 30.503 29.700 -0.005 0.000 1.090 130 E HN 0.266 nan 8.360 nan 0.000 0.401 131 I N 1.502 122.127 120.570 0.091 0.000 2.761 131 I HA -0.181 3.989 4.170 -0.001 0.000 0.261 131 I C 1.938 177.723 176.117 -0.554 0.000 1.198 131 I CA 0.865 62.154 61.300 -0.018 0.000 1.482 131 I CB -1.295 36.740 38.000 0.059 0.000 1.100 131 I HN 0.410 nan 8.210 nan 0.000 0.445 132 S N 0.747 115.810 115.700 -1.062 0.000 2.374 132 S HA -0.255 4.215 4.470 -0.001 0.000 0.227 132 S C 2.174 176.457 174.600 -0.529 0.000 1.037 132 S CA 1.276 58.445 58.200 -1.719 0.000 1.024 132 S CB -1.068 61.144 63.200 -1.646 0.000 0.861 132 S HN 0.476 nan 8.310 nan 0.000 0.456 133 Y N -0.005 120.304 120.300 0.014 0.000 2.220 133 Y HA 0.088 4.638 4.550 -0.001 0.000 0.291 133 Y C 2.263 178.224 175.900 0.102 0.000 1.129 133 Y CA 0.949 59.160 58.100 0.186 0.000 1.161 133 Y CB -0.367 38.297 38.460 0.340 0.000 0.997 133 Y HN 0.300 nan 8.280 nan 0.000 0.522 134 F N 0.214 120.250 119.950 0.144 0.000 2.134 134 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 134 F C 2.333 177.990 175.800 -0.238 0.000 1.097 134 F CA 1.223 59.194 58.000 -0.049 0.000 1.264 134 F CB -0.386 38.581 39.000 -0.055 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.239 122.728 122.820 -0.552 0.000 1.902 135 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 135 A C 2.130 179.573 177.584 -0.234 0.000 1.181 135 A CA 1.786 53.310 52.037 -0.853 0.000 0.623 135 A CB -0.723 17.578 19.000 -1.166 0.000 0.818 135 A HN 0.404 nan 8.150 nan 0.000 0.443 136 R N -0.799 119.600 120.500 -0.170 0.000 2.073 136 R HA -0.127 4.212 4.340 -0.001 0.000 0.234 136 R C 1.776 178.053 176.300 -0.038 0.000 1.134 136 R CA 2.051 58.077 56.100 -0.123 0.000 0.952 136 R CB -1.117 29.031 30.300 -0.254 0.000 0.850 136 R HN 0.431 nan 8.270 nan 0.000 0.433 137 F N 0.121 120.000 119.950 -0.118 0.000 2.065 137 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 137 F C 2.042 177.798 175.800 -0.073 0.000 1.112 137 F CA 2.098 60.093 58.000 -0.008 0.000 1.212 137 F CB -0.861 38.066 39.000 -0.121 0.000 0.975 137 F HN 0.198 nan 8.300 nan 0.000 0.476 138 Y N -0.246 119.907 120.300 -0.244 0.000 2.242 138 Y HA -0.249 4.301 4.550 -0.001 0.000 0.291 138 Y C 2.721 178.553 175.900 -0.112 0.000 1.137 138 Y CA 2.206 60.183 58.100 -0.205 0.000 1.181 138 Y CB -0.890 37.645 38.460 0.124 0.000 0.989 138 Y HN 0.341 nan 8.280 nan 0.000 0.527 139 H N -0.626 118.444 119.070 0.000 0.000 2.423 139 H HA -0.102 4.453 4.556 -0.001 0.000 0.297 139 H C 1.344 176.559 175.328 -0.188 0.000 1.075 139 H CA 2.028 58.033 56.048 -0.072 0.000 1.342 139 H CB -0.207 29.568 29.762 0.022 0.000 1.395 139 H HN 0.263 nan 8.280 nan 0.000 0.530 140 D N 0.001 120.287 120.400 -0.189 0.000 2.363 140 D HA 0.043 4.683 4.640 -0.001 0.000 0.220 140 D C 0.102 176.185 176.300 -0.362 0.000 0.994 140 D CA 0.182 54.042 54.000 -0.234 0.000 0.890 140 D CB 0.019 40.754 40.800 -0.109 0.000 0.906 140 D HN 0.365 nan 8.370 nan 0.000 0.530 141 L N 0.558 121.473 121.223 -0.514 0.000 2.426 141 L HA 0.280 4.620 4.340 -0.001 0.000 0.271 141 L C 1.412 178.057 176.870 -0.376 0.000 1.169 141 L CA -0.587 53.952 54.840 -0.502 0.000 0.836 141 L CB 0.818 42.520 42.059 -0.596 0.000 1.112 141 L HN -0.031 nan 8.230 nan 0.000 0.465 142 G N 0.958 109.595 108.800 -0.272 0.000 2.594 142 G HA2 0.013 3.972 3.960 -0.001 0.000 0.243 142 G HA3 0.013 3.972 3.960 -0.001 0.000 0.243 142 G C 0.671 175.451 174.900 -0.199 0.000 1.229 142 G CA -0.300 44.680 45.100 -0.200 0.000 0.843 142 G HN 0.811 nan 8.290 nan 0.000 0.578 143 E N 0.436 120.547 120.200 -0.148 0.000 2.118 143 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 143 E C 2.145 178.695 176.600 -0.084 0.000 0.992 143 E CA 1.848 58.180 56.400 -0.113 0.000 0.804 143 E CB -0.185 29.474 29.700 -0.069 0.000 0.741 143 E HN 0.705 nan 8.360 nan 0.000 0.458 144 N N -0.511 118.142 118.700 -0.078 0.000 2.244 144 N HA -0.132 4.607 4.740 -0.001 0.000 0.183 144 N C 1.464 176.933 175.510 -0.069 0.000 1.016 144 N CA 1.103 54.117 53.050 -0.059 0.000 0.866 144 N CB 0.125 38.578 38.487 -0.057 0.000 0.980 144 N HN -0.054 nan 8.380 nan 0.000 0.430 145 K N 0.706 121.045 120.400 -0.101 0.000 2.167 145 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 145 K C 1.715 178.277 176.600 -0.064 0.000 1.052 145 K CA 0.706 56.935 56.287 -0.096 0.000 0.956 145 K CB -0.057 32.363 32.500 -0.134 0.000 0.735 145 K HN 0.349 nan 8.250 nan 0.000 0.451 146 K N 0.966 121.283 120.400 -0.137 0.000 2.063 146 K HA -0.068 4.252 4.320 -0.001 0.000 0.208 146 K C 2.259 178.942 176.600 0.138 0.000 1.048 146 K CA 1.055 57.289 56.287 -0.089 0.000 0.928 146 K CB -0.199 32.139 32.500 -0.271 0.000 0.713 146 K HN 0.045 nan 8.250 nan 0.000 0.442 147 L N 1.118 122.385 121.223 0.074 0.000 2.083 147 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 147 L C 2.588 179.525 176.870 0.110 0.000 1.083 147 L CA 1.290 56.191 54.840 0.101 0.000 0.752 147 L CB -0.419 41.673 42.059 0.054 0.000 0.899 147 L HN 0.278 nan 8.230 nan 0.000 0.433 148 Q N -0.850 118.991 119.800 0.070 0.000 2.084 148 Q HA -0.274 4.065 4.340 -0.001 0.000 0.202 148 Q C 2.215 178.302 176.000 0.145 0.000 0.978 148 Q CA 1.745 57.591 55.803 0.071 0.000 0.844 148 Q CB -0.213 28.492 28.738 -0.054 0.000 0.898 148 Q HN 0.359 nan 8.270 nan 0.000 0.426 149 M N 1.237 120.956 119.600 0.199 0.000 2.086 149 M HA -0.167 4.313 4.480 -0.001 0.000 0.261 149 M C 1.649 178.142 176.300 0.321 0.000 1.067 149 M CA 1.772 57.261 55.300 0.315 0.000 1.116 149 M CB -0.021 32.872 32.600 0.489 0.000 1.348 149 M HN -0.084 nan 8.290 nan 0.000 0.407 150 K N -1.051 119.538 120.400 0.315 0.000 2.103 150 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 150 K C 2.288 178.993 176.600 0.175 0.000 1.048 150 K CA 1.600 58.037 56.287 0.251 0.000 0.930 150 K CB -0.439 32.195 32.500 0.223 0.000 0.716 150 K HN 0.419 nan 8.250 nan 0.000 0.444 151 S N 1.498 117.291 115.700 0.155 0.000 2.368 151 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 151 S C 1.945 176.610 174.600 0.108 0.000 1.029 151 S CA 1.149 59.420 58.200 0.119 0.000 0.988 151 S CB -0.237 63.034 63.200 0.119 0.000 0.838 151 S HN 0.395 nan 8.310 nan 0.000 0.462 152 I N -0.822 119.823 120.570 0.125 0.000 2.830 152 I HA 0.055 4.225 4.170 -0.001 0.000 0.263 152 I C 1.800 177.958 176.117 0.070 0.000 1.230 152 I CA 0.668 62.023 61.300 0.091 0.000 1.480 152 I CB -0.321 37.735 38.000 0.093 0.000 1.095 152 I HN 0.100 nan 8.210 nan 0.000 0.455 153 V N 1.438 121.413 119.914 0.100 0.000 2.446 153 V HA -0.163 3.957 4.120 -0.001 0.000 0.244 153 V C 2.679 178.813 176.094 0.067 0.000 1.039 153 V CA 1.800 64.145 62.300 0.075 0.000 1.045 153 V CB -0.657 31.272 31.823 0.177 0.000 0.681 153 V HN 0.410 nan 8.190 nan 0.000 0.459 154 K N 1.449 121.898 120.400 0.081 0.000 2.097 154 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 154 K C 1.753 178.376 176.600 0.038 0.000 1.049 154 K CA 1.786 58.107 56.287 0.058 0.000 0.933 154 K CB -0.176 32.360 32.500 0.060 0.000 0.717 154 K HN 0.666 nan 8.250 nan 0.000 0.442 155 N N -0.728 117.994 118.700 0.037 0.000 2.398 155 N HA 0.002 4.742 4.740 -0.001 0.000 0.188 155 N C 0.833 176.352 175.510 0.015 0.000 1.122 155 N CA 1.062 54.127 53.050 0.024 0.000 0.866 155 N CB 0.539 39.042 38.487 0.025 0.000 0.970 155 N HN 0.310 nan 8.380 nan 0.000 0.462 156 G N -0.285 108.521 108.800 0.009 0.000 2.175 156 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.244 156 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.244 156 G C 0.802 175.694 174.900 -0.013 0.000 0.982 156 G CA 0.409 45.504 45.100 -0.008 0.000 0.641 156 G HN 0.439 nan 8.290 nan 0.000 0.527 157 Q N -1.200 118.600 119.800 0.000 0.000 2.096 157 Q HA 0.223 4.563 4.340 -0.001 0.000 0.197 157 Q C 1.174 177.172 176.000 -0.003 0.000 0.964 157 Q CA 1.105 56.913 55.803 0.008 0.000 0.838 157 Q CB 0.201 28.950 28.738 0.018 0.000 0.906 157 Q HN 0.607 nan 8.270 nan 0.000 0.444 158 L N 1.240 122.442 121.223 -0.035 0.000 2.280 158 L HA 0.302 4.642 4.340 -0.001 0.000 0.287 158 L C -0.970 175.724 176.870 -0.293 0.000 1.023 158 L CA -0.091 54.681 54.840 -0.113 0.000 0.819 158 L CB 1.437 43.447 42.059 -0.082 0.000 1.212 158 L HN -0.090 nan 8.230 nan 0.000 0.420 159 E N 4.478 124.475 120.200 -0.338 0.000 2.187 159 E HA 0.351 4.700 4.350 -0.001 0.000 0.268 159 E C -1.368 174.974 176.600 -0.430 0.000 0.896 159 E CA -0.756 55.451 56.400 -0.321 0.000 0.766 159 E CB 0.970 30.561 29.700 -0.182 0.000 1.142 159 E HN 0.545 nan 8.360 nan 0.000 0.408 160 F N 3.164 123.072 119.950 -0.070 0.000 2.443 160 F HA 0.210 4.737 4.527 -0.001 0.000 0.353 160 F C 0.312 176.086 175.800 -0.043 0.000 1.101 160 F CA -0.504 57.467 58.000 -0.048 0.000 1.226 160 F CB 1.156 40.139 39.000 -0.028 0.000 1.140 160 F HN 0.193 nan 8.300 nan 0.000 0.557 161 V N -0.089 119.898 119.914 0.123 0.000 2.540 161 V HA 0.610 4.730 4.120 -0.001 0.000 0.302 161 V C 0.163 176.391 176.094 0.224 0.000 1.035 161 V CA -0.522 61.845 62.300 0.112 0.000 0.873 161 V CB 0.890 32.673 31.823 -0.067 0.000 0.992 161 V HN 0.995 nan 8.190 nan 0.000 0.428 162 T N 3.228 117.988 114.554 0.342 0.000 12.940 162 T HA -0.304 4.046 4.350 -0.001 0.000 0.419 162 T C 1.748 176.677 174.700 0.381 0.000 1.444 162 T CA 2.808 65.155 62.100 0.412 0.000 2.373 162 T CB -1.682 67.329 68.868 0.238 0.000 2.821 162 T HN 2.791 nan 8.240 nan 0.000 0.696 163 G N 1.962 110.925 108.800 0.271 0.000 2.147 163 G HA2 0.110 4.069 3.960 -0.001 0.000 0.244 163 G HA3 0.110 4.069 3.960 -0.001 0.000 0.244 163 G C 0.310 175.349 174.900 0.230 0.000 1.005 163 G CA 0.589 45.822 45.100 0.223 0.000 0.713 163 G HN 1.561 nan 8.290 nan 0.000 0.515 164 G N -1.677 107.258 108.800 0.224 0.000 2.572 164 G HA2 0.362 4.321 3.960 -0.001 0.000 0.261 164 G HA3 0.362 4.321 3.960 -0.001 0.000 0.261 164 G C 0.984 176.053 174.900 0.282 0.000 1.197 164 G CA 0.154 45.396 45.100 0.236 0.000 0.870 164 G HN 0.344 nan 8.290 nan 0.000 0.548 165 W N 0.314 121.651 121.300 0.063 0.000 2.342 165 W HA -0.038 4.622 4.660 -0.001 0.000 0.297 165 W C 0.683 177.224 176.519 0.038 0.000 1.213 165 W CA 1.864 59.229 57.345 0.034 0.000 1.251 165 W CB 0.246 29.708 29.460 0.003 0.000 1.136 165 W HN 0.401 nan 8.180 nan 0.000 0.526 166 V N -2.773 117.252 119.914 0.185 0.000 3.105 166 V HA 0.493 4.613 4.120 -0.001 0.000 0.311 166 V C -0.449 175.728 176.094 0.137 0.000 1.287 166 V CA -1.293 61.062 62.300 0.092 0.000 1.066 166 V CB 1.732 33.628 31.823 0.121 0.000 1.105 166 V HN -0.058 nan 8.190 nan 0.000 0.462 167 M N 3.979 123.689 119.600 0.183 0.000 2.152 167 M HA 0.514 4.993 4.480 -0.001 0.000 0.354 167 M C -2.690 173.769 176.300 0.266 0.000 1.173 167 M CA -1.865 53.562 55.300 0.212 0.000 1.110 167 M CB 1.390 34.139 32.600 0.247 0.000 1.366 167 M HN 0.637 nan 8.290 nan 0.000 0.415 168 P HA 0.131 nan 4.420 nan 0.000 0.276 168 P C -0.942 176.367 177.300 0.015 0.000 1.244 168 P CA -0.215 62.934 63.100 0.082 0.000 0.801 168 P CB 0.570 32.305 31.700 0.058 0.000 1.006 169 D N 0.652 121.018 120.400 -0.057 0.000 2.478 169 D HA -0.094 4.546 4.640 -0.001 0.000 0.234 169 D C 0.706 177.014 176.300 0.013 0.000 1.154 169 D CA 0.781 54.729 54.000 -0.087 0.000 0.874 169 D CB 0.425 41.183 40.800 -0.069 0.000 1.198 169 D HN 0.309 nan 8.370 nan 0.000 0.455 170 E N 1.429 121.683 120.200 0.090 0.000 2.526 170 E HA 0.188 4.537 4.350 -0.001 0.000 0.208 170 E C 0.874 177.652 176.600 0.297 0.000 0.997 170 E CA 0.030 56.552 56.400 0.203 0.000 0.961 170 E CB 0.675 30.514 29.700 0.232 0.000 1.030 170 E HN 0.474 nan 8.360 nan 0.000 0.483 171 A N 1.502 124.440 122.820 0.196 0.000 1.887 171 A HA 0.016 4.336 4.320 -0.001 0.000 0.210 171 A C 1.827 179.294 177.584 -0.195 0.000 1.221 171 A CA 0.589 52.506 52.037 -0.201 0.000 0.635 171 A CB 0.018 18.869 19.000 -0.248 0.000 0.881 171 A HN 0.035 nan 8.150 nan 0.000 0.456 172 N N 0.029 118.701 118.700 -0.046 0.000 2.405 172 N HA 0.030 4.770 4.740 -0.001 0.000 0.175 172 N C 0.590 176.086 175.510 -0.023 0.000 1.051 172 N CA 0.376 53.397 53.050 -0.049 0.000 0.899 172 N CB 0.068 38.569 38.487 0.023 0.000 1.000 172 N HN 0.317 nan 8.380 nan 0.000 0.451 173 S N 0.861 116.558 115.700 -0.005 0.000 2.549 173 S HA -0.063 4.407 4.470 -0.001 0.000 0.286 173 S C -0.114 174.498 174.600 0.020 0.000 1.314 173 S CA -0.354 57.855 58.200 0.015 0.000 1.062 173 S CB 0.234 63.446 63.200 0.021 0.000 0.865 173 S HN 0.230 nan 8.310 nan 0.000 0.498 174 H N 5.598 124.646 119.070 -0.037 0.000 2.582 174 H HA 0.072 4.628 4.556 -0.001 0.000 0.345 174 H C 1.369 176.670 175.328 -0.046 0.000 1.104 174 H CA -0.127 55.886 56.048 -0.058 0.000 1.390 174 H CB 0.463 30.142 29.762 -0.138 0.000 1.461 174 H HN 0.976 nan 8.280 nan 0.000 0.551 175 W N 5.800 127.011 121.300 -0.148 0.000 2.325 175 W HA -0.181 4.479 4.660 -0.000 0.000 0.299 175 W C 1.085 177.675 176.519 0.118 0.000 1.215 175 W CA 0.470 57.801 57.345 -0.023 0.000 1.244 175 W CB -0.487 28.897 29.460 -0.126 0.000 1.140 175 W HN 0.534 nan 8.180 nan 0.000 0.523 176 R N 0.751 120.861 120.500 -0.651 0.000 2.120 176 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 176 R C 1.980 178.113 176.300 -0.278 0.000 1.123 176 R CA 1.864 57.496 56.100 -0.781 0.000 0.975 176 R CB -0.397 29.384 30.300 -0.865 0.000 0.866 176 R HN 0.157 nan 8.270 nan 0.000 0.446 177 N N -0.271 118.351 118.700 -0.130 0.000 2.376 177 N HA -0.043 4.696 4.740 -0.001 0.000 0.177 177 N C 1.703 177.214 175.510 0.002 0.000 1.024 177 N CA 0.622 53.638 53.050 -0.058 0.000 0.893 177 N CB 0.061 38.534 38.487 -0.024 0.000 0.980 177 N HN -0.011 nan 8.380 nan 0.000 0.439 178 V N 1.454 121.394 119.914 0.043 0.000 2.295 178 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 178 V C 2.334 178.471 176.094 0.073 0.000 1.049 178 V CA 1.126 63.469 62.300 0.072 0.000 1.024 178 V CB -0.490 31.395 31.823 0.104 0.000 0.648 178 V HN 0.196 nan 8.190 nan 0.000 0.447 179 L N -0.324 120.953 121.223 0.090 0.000 2.056 179 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 179 L C 2.178 179.058 176.870 0.017 0.000 1.078 179 L CA 1.793 56.679 54.840 0.076 0.000 0.749 179 L CB -0.675 41.464 42.059 0.134 0.000 0.901 179 L HN 0.280 nan 8.230 nan 0.000 0.433 180 L N -0.079 121.132 121.223 -0.021 0.000 2.012 180 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 180 L C 2.584 179.442 176.870 -0.021 0.000 1.073 180 L CA 2.359 57.175 54.840 -0.040 0.000 0.748 180 L CB -0.770 41.246 42.059 -0.071 0.000 0.891 180 L HN 0.683 nan 8.230 nan 0.000 0.431 181 Q N -1.013 118.797 119.800 0.017 0.000 2.123 181 Q HA -0.191 4.149 4.340 -0.001 0.000 0.199 181 Q C 2.038 178.116 176.000 0.130 0.000 0.966 181 Q CA 2.012 57.858 55.803 0.073 0.000 0.845 181 Q CB -1.194 27.621 28.738 0.129 0.000 0.907 181 Q HN 0.459 nan 8.270 nan 0.000 0.439 182 L N 0.910 122.197 121.223 0.106 0.000 2.046 182 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 182 L C 1.936 178.883 176.870 0.128 0.000 1.077 182 L CA 2.492 57.409 54.840 0.127 0.000 0.747 182 L CB -1.023 41.089 42.059 0.089 0.000 0.896 182 L HN 0.347 nan 8.230 nan 0.000 0.432 183 T N -1.029 113.570 114.554 0.074 0.000 2.821 183 T HA -0.177 4.173 4.350 -0.001 0.000 0.267 183 T C 1.720 176.467 174.700 0.077 0.000 1.046 183 T CA 1.416 63.553 62.100 0.060 0.000 1.139 183 T CB -0.151 68.725 68.868 0.014 0.000 0.871 183 T HN 0.350 nan 8.240 nan 0.000 0.454 184 E N 1.018 121.236 120.200 0.031 0.000 2.047 184 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 184 E C 2.360 179.064 176.600 0.174 0.000 0.987 184 E CA 1.492 57.860 56.400 -0.054 0.000 0.799 184 E CB -0.865 28.619 29.700 -0.361 0.000 0.752 184 E HN 0.429 nan 8.360 nan 0.000 0.449 185 G N 0.029 109.035 108.800 0.343 0.000 2.404 185 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.215 185 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.215 185 G C 1.505 176.616 174.900 0.351 0.000 1.174 185 G CA 0.734 46.120 45.100 0.477 0.000 0.780 185 G HN 0.272 nan 8.290 nan 0.000 0.537 186 Q N -0.237 119.709 119.800 0.242 0.000 2.172 186 Q HA -0.057 4.282 4.340 -0.001 0.000 0.200 186 Q C 2.782 178.875 176.000 0.156 0.000 0.964 186 Q CA 1.422 57.330 55.803 0.176 0.000 0.855 186 Q CB -0.184 28.642 28.738 0.147 0.000 0.918 186 Q HN 0.415 nan 8.270 nan 0.000 0.444 187 T N 0.068 114.724 114.554 0.171 0.000 2.821 187 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 187 T C 1.071 175.866 174.700 0.157 0.000 1.046 187 T CA 0.928 63.103 62.100 0.125 0.000 1.139 187 T CB -0.326 68.610 68.868 0.113 0.000 0.871 187 T HN 0.470 nan 8.240 nan 0.000 0.454 188 W N 1.613 122.999 121.300 0.144 0.000 2.355 188 W HA -0.049 4.611 4.660 -0.001 0.000 0.309 188 W C 1.784 178.420 176.519 0.195 0.000 1.206 188 W CA 0.945 58.456 57.345 0.277 0.000 1.284 188 W CB -0.430 29.253 29.460 0.372 0.000 1.145 188 W HN 0.131 nan 8.180 nan 0.000 0.502 189 L N 0.658 122.100 121.223 0.366 0.000 2.046 189 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 189 L C 2.601 179.405 176.870 -0.110 0.000 1.077 189 L CA 1.906 56.784 54.840 0.062 0.000 0.747 189 L CB -0.930 41.097 42.059 -0.052 0.000 0.896 189 L HN 0.010 nan 8.230 nan 0.000 0.432 190 K N 0.028 120.383 120.400 -0.074 0.000 2.057 190 K HA -0.258 4.061 4.320 -0.001 0.000 0.206 190 K C 2.187 178.651 176.600 -0.228 0.000 1.050 190 K CA 1.546 57.764 56.287 -0.115 0.000 0.935 190 K CB -0.046 32.413 32.500 -0.069 0.000 0.715 190 K HN 0.237 nan 8.250 nan 0.000 0.439 191 Q N -0.725 118.868 119.800 -0.345 0.000 2.050 191 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 191 Q C 1.519 177.024 176.000 -0.824 0.000 0.980 191 Q CA 2.036 57.458 55.803 -0.635 0.000 0.840 191 Q CB -0.005 28.219 28.738 -0.857 0.000 0.898 191 Q HN 0.371 nan 8.270 nan 0.000 0.424 192 F N -1.842 117.740 119.950 -0.612 0.000 2.622 192 F HA 0.130 4.656 4.527 -0.001 0.000 0.288 192 F C 1.852 177.372 175.800 -0.465 0.000 1.120 192 F CA 0.005 57.610 58.000 -0.658 0.000 1.423 192 F CB 0.412 38.606 39.000 -1.343 0.000 1.127 192 F HN 0.088 nan 8.300 nan 0.000 0.588 193 M N -0.726 118.727 119.600 -0.245 0.000 2.367 193 M HA 0.177 4.656 4.480 -0.001 0.000 0.256 193 M C 0.299 176.578 176.300 -0.035 0.000 1.091 193 M CA 0.372 55.627 55.300 -0.075 0.000 1.049 193 M CB -0.704 31.878 32.600 -0.029 0.000 1.406 193 M HN 0.103 nan 8.290 nan 0.000 0.498 194 N N 1.714 120.360 118.700 -0.089 0.000 2.740 194 N HA -0.135 4.605 4.740 -0.001 0.000 0.248 194 N C -1.017 174.477 175.510 -0.026 0.000 1.062 194 N CA 0.701 53.714 53.050 -0.063 0.000 0.704 194 N CB -1.018 37.446 38.487 -0.040 0.000 0.968 194 N HN 0.311 nan 8.380 nan 0.000 0.547 195 V N -3.761 116.139 119.914 -0.024 0.000 3.049 195 V HA 0.878 4.998 4.120 -0.001 0.000 0.309 195 V C 0.051 176.133 176.094 -0.019 0.000 1.148 195 V CA -0.503 61.798 62.300 0.003 0.000 0.990 195 V CB 2.355 34.224 31.823 0.078 0.000 1.039 195 V HN 0.059 nan 8.190 nan 0.000 0.430 196 T N 3.751 118.284 114.554 -0.035 0.000 2.930 196 T HA 0.566 4.916 4.350 -0.001 0.000 0.313 196 T C -2.755 171.865 174.700 -0.132 0.000 1.019 196 T CA -0.744 61.315 62.100 -0.069 0.000 1.004 196 T CB 1.378 70.196 68.868 -0.084 0.000 0.987 196 T HN 0.754 nan 8.240 nan 0.000 0.456 197 P HA 0.175 nan 4.420 nan 0.000 0.266 197 P C 0.858 177.780 177.300 -0.630 0.000 1.195 197 P CA -0.163 62.822 63.100 -0.192 0.000 0.768 197 P CB 0.559 32.258 31.700 -0.002 0.000 0.838 198 T N -1.780 112.454 114.554 -0.534 0.000 3.040 198 T HA 0.527 4.876 4.350 -0.001 0.000 0.266 198 T C 0.365 174.880 174.700 -0.307 0.000 1.005 198 T CA -0.271 61.393 62.100 -0.727 0.000 0.906 198 T CB 0.132 68.782 68.868 -0.365 0.000 1.082 198 T HN 0.402 nan 8.240 nan 0.000 0.531 199 A N 0.909 123.712 122.820 -0.028 0.000 2.331 199 A HA 0.796 5.116 4.320 -0.001 0.000 0.320 199 A C -0.133 177.728 177.584 0.460 0.000 1.138 199 A CA -0.695 51.480 52.037 0.230 0.000 0.790 199 A CB 1.750 20.904 19.000 0.256 0.000 1.206 199 A HN 0.270 nan 8.150 nan 0.000 0.470 200 S N 2.196 118.157 115.700 0.434 0.000 2.549 200 S HA 0.668 5.137 4.470 -0.001 0.000 0.297 200 S C -1.127 173.667 174.600 0.322 0.000 1.115 200 S CA -0.436 57.957 58.200 0.321 0.000 1.059 200 S CB 0.742 63.953 63.200 0.018 0.000 1.046 200 S HN 0.796 nan 8.310 nan 0.000 0.506 201 W N 4.638 125.959 121.300 0.036 0.000 2.499 201 W HA 0.631 5.291 4.660 -0.001 0.000 0.320 201 W C -1.420 175.053 176.519 -0.078 0.000 1.010 201 W CA -0.841 56.477 57.345 -0.044 0.000 1.267 201 W CB 1.198 30.603 29.460 -0.090 0.000 1.316 201 W HN 0.783 nan 8.180 nan 0.000 0.431 202 A N 7.839 130.495 122.820 -0.274 0.000 3.030 202 A HA 0.256 4.575 4.320 -0.001 0.000 0.335 202 A C 0.419 177.757 177.584 -0.410 0.000 1.089 202 A CA -0.457 51.438 52.037 -0.238 0.000 0.807 202 A CB -0.482 18.499 19.000 -0.032 0.000 1.099 202 A HN 0.691 nan 8.150 nan 0.000 0.474 203 I N -2.390 117.743 120.570 -0.729 0.000 3.251 203 I HA 0.266 4.436 4.170 -0.001 0.000 0.277 203 I C 1.334 177.153 176.117 -0.498 0.000 1.268 203 I CA 1.353 62.197 61.300 -0.761 0.000 1.449 203 I CB 0.416 37.705 38.000 -1.185 0.000 1.083 203 I HN 0.342 nan 8.210 nan 0.000 0.464 204 A N 0.355 122.842 122.820 -0.555 0.000 2.312 204 A HA 0.481 4.801 4.320 -0.001 0.000 0.215 204 A C -1.979 175.168 177.584 -0.729 0.000 1.256 204 A CA -0.256 51.427 52.037 -0.589 0.000 0.966 204 A CB -0.752 17.749 19.000 -0.832 0.000 1.053 204 A HN 0.242 nan 8.150 nan 0.000 0.510 205 P HA 0.133 nan 4.420 nan 0.000 0.268 205 P C -0.748 176.103 177.300 -0.748 0.000 1.208 205 P CA 0.312 62.892 63.100 -0.866 0.000 0.777 205 P CB 0.088 31.431 31.700 -0.595 0.000 0.875 206 F N 1.740 121.453 119.950 -0.395 0.000 2.541 206 F HA 0.541 5.068 4.527 -0.001 0.000 0.351 206 F C 1.404 177.148 175.800 -0.093 0.000 1.209 206 F CA -0.621 57.114 58.000 -0.442 0.000 1.277 206 F CB -1.061 37.820 39.000 -0.197 0.000 1.632 206 F HN 0.508 nan 8.300 nan 0.000 0.619 207 G N 1.344 109.891 108.800 -0.420 0.000 2.662 207 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 207 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 207 G C -1.479 173.048 174.900 -0.623 0.000 1.271 207 G CA -1.151 43.806 45.100 -0.239 0.000 0.816 207 G HN 0.616 nan 8.290 nan 0.000 0.608 208 H N -0.572 118.179 119.070 -0.530 0.000 2.717 208 H HA 0.737 5.293 4.556 -0.001 0.000 0.366 208 H C -0.374 174.827 175.328 -0.212 0.000 1.132 208 H CA 0.027 55.952 56.048 -0.204 0.000 1.180 208 H CB 2.061 31.875 29.762 0.086 0.000 1.678 208 H HN 0.683 nan 8.280 nan 0.000 0.537 209 S N 2.274 118.109 115.700 0.224 0.000 2.501 209 S HA 0.260 4.730 4.470 -0.001 0.000 0.301 209 S C -1.797 172.830 174.600 0.046 0.000 1.096 209 S CA -1.781 56.563 58.200 0.240 0.000 1.063 209 S CB 1.286 64.675 63.200 0.314 0.000 1.042 209 S HN 0.452 nan 8.310 nan 0.000 0.494 210 P HA 0.032 nan 4.420 nan 0.000 0.237 210 P C 1.066 178.110 177.300 -0.425 0.000 1.178 210 P CA 0.659 63.364 63.100 -0.658 0.000 0.766 210 P CB -0.270 31.210 31.700 -0.366 0.000 0.876 211 T N -0.136 114.305 114.554 -0.189 0.000 2.881 211 T HA -0.099 4.251 4.350 -0.001 0.000 0.270 211 T C 1.821 176.470 174.700 -0.085 0.000 1.068 211 T CA 1.207 63.235 62.100 -0.120 0.000 1.131 211 T CB -0.390 68.447 68.868 -0.052 0.000 0.871 211 T HN 0.006 nan 8.240 nan 0.000 0.479 212 M N 0.939 120.449 119.600 -0.151 0.000 2.064 212 M HA 0.005 4.485 4.480 -0.001 0.000 0.260 212 M C -0.601 175.557 176.300 -0.237 0.000 1.073 212 M CA 1.235 56.444 55.300 -0.151 0.000 1.124 212 M CB -2.529 30.008 32.600 -0.105 0.000 1.326 212 M HN 0.133 nan 8.290 nan 0.000 0.410 213 P HA -0.204 nan 4.420 nan 0.000 0.218 213 P C 1.677 178.848 177.300 -0.215 0.000 1.148 213 P CA 1.455 64.356 63.100 -0.331 0.000 0.822 213 P CB -0.433 30.966 31.700 -0.502 0.000 0.784 214 Y N 1.078 121.187 120.300 -0.318 0.000 2.097 214 Y HA -0.206 4.344 4.550 -0.001 0.000 0.282 214 Y C 2.431 178.245 175.900 -0.143 0.000 1.152 214 Y CA 1.711 59.689 58.100 -0.204 0.000 1.136 214 Y CB -0.958 37.398 38.460 -0.174 0.000 0.975 214 Y HN -0.241 nan 8.280 nan 0.000 0.498 215 I N -0.387 120.207 120.570 0.041 0.000 2.252 215 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 215 I C 2.295 178.345 176.117 -0.111 0.000 1.102 215 I CA 1.209 62.501 61.300 -0.014 0.000 1.385 215 I CB -0.420 37.631 38.000 0.085 0.000 1.064 215 I HN 0.269 nan 8.210 nan 0.000 0.414 216 L N 0.085 121.191 121.223 -0.196 0.000 2.046 216 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 216 L C 2.693 179.545 176.870 -0.030 0.000 1.077 216 L CA 1.218 55.874 54.840 -0.306 0.000 0.747 216 L CB -0.702 40.989 42.059 -0.613 0.000 0.896 216 L HN 0.349 nan 8.230 nan 0.000 0.432 217 Q N 1.093 120.842 119.800 -0.085 0.000 2.226 217 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 217 Q C 1.667 177.627 176.000 -0.067 0.000 0.975 217 Q CA 1.467 57.241 55.803 -0.048 0.000 0.866 217 Q CB 0.114 28.791 28.738 -0.101 0.000 0.915 217 Q HN 0.468 nan 8.270 nan 0.000 0.440 218 K N -0.477 119.843 120.400 -0.132 0.000 2.444 218 K HA 0.106 4.426 4.320 -0.001 0.000 0.193 218 K C 0.670 177.236 176.600 -0.056 0.000 1.024 218 K CA 0.139 56.345 56.287 -0.136 0.000 1.077 218 K CB 0.502 32.851 32.500 -0.251 0.000 0.833 218 K HN -0.069 nan 8.250 nan 0.000 0.517 219 S N -0.319 115.403 115.700 0.037 0.000 2.754 219 S HA 0.208 4.677 4.470 -0.001 0.000 0.247 219 S C 0.773 175.475 174.600 0.169 0.000 1.031 219 S CA 0.116 58.384 58.200 0.114 0.000 1.014 219 S CB 1.321 64.634 63.200 0.189 0.000 0.918 219 S HN 0.526 nan 8.310 nan 0.000 0.519 220 G N 1.188 110.040 108.800 0.087 0.000 2.195 220 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.246 220 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.246 220 G C -0.021 174.852 174.900 -0.045 0.000 0.984 220 G CA -0.478 44.613 45.100 -0.015 0.000 0.633 220 G HN 0.427 nan 8.290 nan 0.000 0.525 221 F N 0.416 120.326 119.950 -0.067 0.000 2.450 221 F HA 0.608 5.134 4.527 -0.001 0.000 0.339 221 F C 1.537 177.277 175.800 -0.099 0.000 1.146 221 F CA -0.006 57.950 58.000 -0.074 0.000 1.267 221 F CB 0.938 39.898 39.000 -0.067 0.000 1.178 221 F HN -0.206 nan 8.300 nan 0.000 0.585 222 K N 0.800 121.215 120.400 0.025 0.000 2.425 222 K HA 0.246 4.565 4.320 -0.001 0.000 0.201 222 K C -0.631 175.908 176.600 -0.102 0.000 1.128 222 K CA 0.066 56.311 56.287 -0.071 0.000 1.000 222 K CB 0.137 32.545 32.500 -0.153 0.000 0.961 222 K HN 0.614 nan 8.250 nan 0.000 0.555 223 N N 0.195 118.818 118.700 -0.128 0.000 2.484 223 N HA 0.460 5.199 4.740 -0.001 0.000 0.269 223 N C -1.132 174.225 175.510 -0.254 0.000 1.237 223 N CA -0.632 52.171 53.050 -0.411 0.000 0.838 223 N CB 2.289 39.950 38.487 -1.378 0.000 1.593 223 N HN -0.107 nan 8.380 nan 0.000 0.485 224 M N -0.160 119.310 119.600 -0.217 0.000 2.569 224 M HA 0.630 5.109 4.480 -0.001 0.000 0.279 224 M C -2.064 174.304 176.300 0.113 0.000 1.253 224 M CA -0.958 54.341 55.300 -0.001 0.000 0.867 224 M CB 2.466 35.051 32.600 -0.026 0.000 1.727 224 M HN 0.496 nan 8.290 nan 0.000 0.467 225 L N 3.585 124.888 121.223 0.133 0.000 2.386 225 L HA 0.876 5.216 4.340 -0.001 0.000 0.271 225 L C -1.461 175.278 176.870 -0.218 0.000 0.993 225 L CA -0.736 54.133 54.840 0.049 0.000 0.819 225 L CB 1.993 44.123 42.059 0.117 0.000 1.294 225 L HN 0.948 nan 8.230 nan 0.000 0.414 226 I N 0.949 121.302 120.570 -0.361 0.000 3.042 226 I HA 0.622 4.791 4.170 -0.001 0.000 0.310 226 I C -0.701 175.108 176.117 -0.514 0.000 1.117 226 I CA -0.567 60.329 61.300 -0.673 0.000 1.003 226 I CB 2.242 39.559 38.000 -1.139 0.000 1.228 226 I HN 0.733 nan 8.210 nan 0.000 0.443 227 Q N 1.940 121.504 119.800 -0.392 0.000 2.546 227 Q HA 0.336 4.675 4.340 -0.001 0.000 0.226 227 Q C 0.020 175.915 176.000 -0.176 0.000 0.769 227 Q CA 0.420 56.075 55.803 -0.247 0.000 0.954 227 Q CB 0.602 29.194 28.738 -0.243 0.000 1.319 227 Q HN 0.656 nan 8.270 nan 0.000 0.534 228 R N 2.042 122.459 120.500 -0.138 0.000 2.608 228 R HA 0.341 4.681 4.340 -0.001 0.000 0.277 228 R C -0.690 175.325 176.300 -0.474 0.000 1.341 228 R CA 0.565 56.314 56.100 -0.587 0.000 1.199 228 R CB 0.242 29.850 30.300 -1.154 0.000 1.156 228 R HN 0.401 nan 8.270 nan 0.000 0.558 229 T N -2.361 112.147 114.554 -0.077 0.000 2.924 229 T HA 0.135 4.484 4.350 -0.001 0.000 0.291 229 T C -0.025 174.928 174.700 0.421 0.000 1.045 229 T CA -0.890 61.307 62.100 0.162 0.000 1.015 229 T CB 1.765 70.578 68.868 -0.092 0.000 1.103 229 T HN 0.423 nan 8.240 nan 0.000 0.496 230 H N 2.065 121.354 119.070 0.365 0.000 3.094 230 H HA -0.033 4.522 4.556 -0.001 0.000 0.320 230 H C 1.064 176.460 175.328 0.113 0.000 1.000 230 H CA 0.439 56.608 56.048 0.202 0.000 1.413 230 H CB 0.331 30.235 29.762 0.238 0.000 1.405 230 H HN 0.926 nan 8.280 nan 0.000 0.586 231 Y N 2.402 122.814 120.300 0.185 0.000 2.256 231 Y HA -0.186 4.364 4.550 -0.001 0.000 0.288 231 Y C 2.206 178.283 175.900 0.295 0.000 1.155 231 Y CA 0.985 59.224 58.100 0.232 0.000 1.203 231 Y CB -0.677 37.856 38.460 0.122 0.000 0.980 231 Y HN 0.305 nan 8.280 nan 0.000 0.530 232 S N 0.386 116.123 115.700 0.063 0.000 2.383 232 S HA -0.128 4.341 4.470 -0.001 0.000 0.227 232 S C 2.090 176.617 174.600 -0.122 0.000 1.026 232 S CA 1.219 59.351 58.200 -0.114 0.000 0.981 232 S CB -0.577 62.327 63.200 -0.494 0.000 0.818 232 S HN 0.378 nan 8.310 nan 0.000 0.472 233 V N 1.954 121.854 119.914 -0.023 0.000 2.358 233 V HA -0.178 3.942 4.120 -0.001 0.000 0.246 233 V C 2.240 178.375 176.094 0.068 0.000 1.047 233 V CA 1.594 63.913 62.300 0.031 0.000 1.035 233 V CB -0.522 31.425 31.823 0.207 0.000 0.658 233 V HN 0.415 nan 8.190 nan 0.000 0.452 234 K N 0.141 120.625 120.400 0.139 0.000 2.032 234 K HA -0.251 4.068 4.320 -0.001 0.000 0.209 234 K C 2.283 179.017 176.600 0.223 0.000 1.048 234 K CA 1.844 58.229 56.287 0.163 0.000 0.927 234 K CB -0.243 32.413 32.500 0.260 0.000 0.712 234 K HN 0.360 nan 8.250 nan 0.000 0.441 235 K N 1.144 121.675 120.400 0.219 0.000 2.026 235 K HA -0.226 4.094 4.320 -0.001 0.000 0.208 235 K C 2.147 178.841 176.600 0.157 0.000 1.048 235 K CA 1.694 58.118 56.287 0.229 0.000 0.929 235 K CB 0.042 32.604 32.500 0.104 0.000 0.713 235 K HN -0.043 nan 8.250 nan 0.000 0.439 236 E N 0.991 121.205 120.200 0.023 0.000 2.051 236 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 236 E C 1.935 178.529 176.600 -0.010 0.000 0.991 236 E CA 1.446 57.820 56.400 -0.044 0.000 0.799 236 E CB -0.215 29.411 29.700 -0.123 0.000 0.748 236 E HN 0.365 nan 8.360 nan 0.000 0.449 237 L N -0.294 120.934 121.223 0.009 0.000 2.093 237 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 237 L C 2.510 179.401 176.870 0.033 0.000 1.085 237 L CA 0.930 55.768 54.840 -0.003 0.000 0.755 237 L CB -0.607 41.435 42.059 -0.028 0.000 0.904 237 L HN 0.199 nan 8.230 nan 0.000 0.435 238 A N -0.268 122.623 122.820 0.119 0.000 1.933 238 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 238 A C 2.214 179.983 177.584 0.309 0.000 1.175 238 A CA 1.478 53.642 52.037 0.211 0.000 0.628 238 A CB -0.441 18.840 19.000 0.468 0.000 0.814 238 A HN 0.471 nan 8.150 nan 0.000 0.444 239 Q N -0.957 118.972 119.800 0.215 0.000 2.226 239 Q HA -0.131 4.209 4.340 -0.001 0.000 0.204 239 Q C 1.311 177.296 176.000 -0.025 0.000 0.975 239 Q CA 1.153 56.927 55.803 -0.049 0.000 0.866 239 Q CB -0.015 28.568 28.738 -0.259 0.000 0.915 239 Q HN 0.615 nan 8.270 nan 0.000 0.440 240 Q N -0.104 119.696 119.800 0.000 0.000 2.280 240 Q HA 0.130 4.469 4.340 -0.001 0.000 0.201 240 Q C -0.397 175.618 176.000 0.026 0.000 0.890 240 Q CA -0.027 55.774 55.803 -0.002 0.000 0.947 240 Q CB 0.605 29.332 28.738 -0.019 0.000 1.081 240 Q HN 0.276 nan 8.270 nan 0.000 0.502 241 R N 0.882 121.404 120.500 0.036 0.000 3.322 241 R HA -0.216 4.124 4.340 -0.001 0.000 0.253 241 R C -0.092 176.240 176.300 0.053 0.000 0.987 241 R CA 0.472 56.584 56.100 0.021 0.000 0.666 241 R CB -1.868 28.470 30.300 0.064 0.000 1.072 241 R HN 0.392 nan 8.270 nan 0.000 0.447 242 Q N 0.027 119.847 119.800 0.033 0.000 2.186 242 Q HA 0.195 4.535 4.340 -0.001 0.000 0.241 242 Q C 1.192 177.270 176.000 0.129 0.000 0.849 242 Q CA -0.232 55.624 55.803 0.089 0.000 1.053 242 Q CB 0.550 29.304 28.738 0.027 0.000 1.146 242 Q HN 0.445 nan 8.270 nan 0.000 0.475 243 L N 0.133 121.365 121.223 0.014 0.000 2.418 243 L HA 0.041 4.380 4.340 -0.001 0.000 0.218 243 L C 0.302 177.156 176.870 -0.027 0.000 1.125 243 L CA 0.924 55.747 54.840 -0.029 0.000 0.835 243 L CB 0.323 42.175 42.059 -0.345 0.000 0.953 243 L HN 0.188 nan 8.230 nan 0.000 0.454 244 E N 0.178 120.402 120.200 0.041 0.000 2.158 244 E HA 0.507 4.857 4.350 -0.001 0.000 0.271 244 E C -1.204 175.291 176.600 -0.176 0.000 0.911 244 E CA -0.531 55.687 56.400 -0.303 0.000 0.767 244 E CB 1.471 31.122 29.700 -0.083 0.000 1.120 244 E HN 0.002 nan 8.360 nan 0.000 0.405 245 F N -0.230 119.442 119.950 -0.463 0.000 2.686 245 F HA 0.476 5.002 4.527 -0.001 0.000 0.311 245 F C -1.511 174.168 175.800 -0.202 0.000 1.128 245 F CA -1.413 56.468 58.000 -0.198 0.000 0.946 245 F CB 0.752 39.672 39.000 -0.133 0.000 1.336 245 F HN 0.150 nan 8.300 nan 0.000 0.457 246 L N 2.650 124.029 121.223 0.261 0.000 2.268 246 L HA 0.175 4.514 4.340 -0.001 0.000 0.289 246 L C -1.077 176.025 176.870 0.387 0.000 1.064 246 L CA -0.200 54.793 54.840 0.255 0.000 0.824 246 L CB 0.458 42.666 42.059 0.249 0.000 1.202 246 L HN 0.580 nan 8.230 nan 0.000 0.433 247 W N 6.779 128.189 121.300 0.183 0.000 2.342 247 W HA 0.352 5.012 4.660 -0.001 0.000 0.310 247 W C 0.224 176.771 176.519 0.046 0.000 1.128 247 W CA -1.306 56.163 57.345 0.208 0.000 1.322 247 W CB 0.504 30.127 29.460 0.271 0.000 1.251 247 W HN 0.520 nan 8.180 nan 0.000 0.439 248 R N 3.644 124.330 120.500 0.310 0.000 2.782 248 R HA 0.557 4.896 4.340 -0.001 0.000 0.258 248 R C -0.101 176.113 176.300 -0.142 0.000 1.055 248 R CA -0.906 55.198 56.100 0.005 0.000 1.065 248 R CB 1.055 31.338 30.300 -0.028 0.000 1.172 248 R HN 0.239 nan 8.270 nan 0.000 0.510 249 Q N 1.200 120.757 119.800 -0.404 0.000 2.394 249 Q HA 0.083 4.423 4.340 -0.001 0.000 0.248 249 Q C 1.443 177.057 176.000 -0.644 0.000 0.992 249 Q CA 0.027 55.396 55.803 -0.723 0.000 0.888 249 Q CB 0.937 28.776 28.738 -1.498 0.000 1.257 249 Q HN 0.845 nan 8.270 nan 0.000 0.462 250 I N -2.174 118.125 120.570 -0.453 0.000 2.567 250 I HA -0.143 4.026 4.170 -0.001 0.000 0.257 250 I C 1.386 177.452 176.117 -0.086 0.000 1.184 250 I CA 1.206 62.404 61.300 -0.169 0.000 1.451 250 I CB -0.370 37.627 38.000 -0.006 0.000 1.089 250 I HN 0.675 nan 8.210 nan 0.000 0.441 251 W N 1.517 122.880 121.300 0.105 0.000 3.197 251 W HA 0.323 4.983 4.660 -0.001 0.000 0.274 251 W C 0.332 176.930 176.519 0.132 0.000 1.297 251 W CA -0.458 57.012 57.345 0.209 0.000 1.662 251 W CB -0.632 29.042 29.460 0.357 0.000 1.106 251 W HN -0.052 nan 8.180 nan 0.000 0.663 252 D N 1.857 122.029 120.400 -0.379 0.000 2.374 252 D HA -0.029 4.611 4.640 -0.001 0.000 0.240 252 D C 0.961 177.235 176.300 -0.044 0.000 1.229 252 D CA 0.146 54.025 54.000 -0.201 0.000 0.895 252 D CB 0.441 41.013 40.800 -0.380 0.000 1.046 252 D HN 0.075 nan 8.370 nan 0.000 0.498 253 N N 3.840 122.576 118.700 0.059 0.000 2.216 253 N HA -0.138 4.601 4.740 -0.001 0.000 0.183 253 N C 1.411 176.940 175.510 0.031 0.000 1.017 253 N CA 1.167 54.247 53.050 0.049 0.000 0.861 253 N CB 0.135 38.672 38.487 0.085 0.000 0.986 253 N HN 0.392 nan 8.380 nan 0.000 0.428 254 K N -1.401 119.021 120.400 0.037 0.000 2.211 254 K HA 0.113 4.432 4.320 -0.001 0.000 0.201 254 K C 0.598 177.211 176.600 0.022 0.000 1.052 254 K CA 0.960 57.267 56.287 0.033 0.000 0.973 254 K CB 0.124 32.649 32.500 0.042 0.000 0.766 254 K HN 0.220 nan 8.250 nan 0.000 0.466 255 G N 1.016 109.820 108.800 0.007 0.000 2.163 255 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.213 255 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.213 255 G C 0.111 175.011 174.900 0.000 0.000 0.991 255 G CA 0.317 45.418 45.100 0.002 0.000 0.653 255 G HN 0.370 nan 8.290 nan 0.000 0.518 256 D N 0.657 121.057 120.400 0.001 0.000 2.348 256 D HA 0.008 4.648 4.640 -0.001 0.000 0.216 256 D C 2.573 178.858 176.300 -0.026 0.000 0.970 256 D CA 1.620 55.618 54.000 -0.003 0.000 0.889 256 D CB -0.175 40.630 40.800 0.007 0.000 0.912 256 D HN 0.653 nan 8.370 nan 0.000 0.524 257 T N -2.089 112.437 114.554 -0.046 0.000 3.113 257 T HA 0.270 4.619 4.350 -0.001 0.000 0.256 257 T C 0.990 175.648 174.700 -0.070 0.000 1.131 257 T CA -0.068 61.982 62.100 -0.083 0.000 1.074 257 T CB -0.008 68.787 68.868 -0.121 0.000 0.944 257 T HN 0.049 nan 8.240 nan 0.000 0.516 258 A N 1.350 124.157 122.820 -0.022 0.000 2.498 258 A HA 0.575 4.895 4.320 -0.001 0.000 0.239 258 A C -0.303 177.302 177.584 0.036 0.000 1.068 258 A CA -0.404 51.653 52.037 0.033 0.000 0.766 258 A CB -0.034 19.014 19.000 0.079 0.000 1.003 258 A HN 0.538 nan 8.150 nan 0.000 0.497 259 L N 2.526 123.792 121.223 0.072 0.000 2.409 259 L HA 0.558 4.898 4.340 -0.001 0.000 0.272 259 L C -0.695 176.241 176.870 0.109 0.000 0.980 259 L CA -0.549 54.329 54.840 0.063 0.000 0.826 259 L CB 1.450 43.508 42.059 -0.001 0.000 1.268 259 L HN 0.661 nan 8.230 nan 0.000 0.407 260 F N 3.833 123.746 119.950 -0.061 0.000 2.578 260 F HA 0.407 4.934 4.527 -0.001 0.000 0.381 260 F C 0.039 175.723 175.800 -0.194 0.000 1.069 260 F CA 0.774 58.705 58.000 -0.115 0.000 1.231 260 F CB 0.480 39.428 39.000 -0.086 0.000 1.086 260 F HN 0.566 nan 8.300 nan 0.000 0.564 261 T N 5.328 119.332 114.554 -0.916 0.000 2.861 261 T HA 0.203 4.553 4.350 -0.001 0.000 0.287 261 T C -1.602 172.460 174.700 -1.063 0.000 1.003 261 T CA -0.475 61.146 62.100 -0.798 0.000 0.977 261 T CB 0.913 69.296 68.868 -0.807 0.000 0.996 261 T HN 0.615 nan 8.240 nan 0.000 0.448 262 H N 2.764 121.528 119.070 -0.510 0.000 2.504 262 H HA 0.627 5.183 4.556 -0.001 0.000 0.322 262 H C -0.420 174.709 175.328 -0.333 0.000 1.055 262 H CA -0.748 55.112 56.048 -0.313 0.000 1.231 262 H CB 0.759 30.562 29.762 0.067 0.000 1.417 262 H HN 0.472 nan 8.280 nan 0.000 0.472 263 M N 6.961 126.213 119.600 -0.579 0.000 2.113 263 M HA 0.301 4.781 4.480 -0.001 0.000 0.352 263 M C -0.987 175.054 176.300 -0.431 0.000 1.170 263 M CA -0.600 54.440 55.300 -0.434 0.000 1.053 263 M CB 0.719 33.120 32.600 -0.331 0.000 1.601 263 M HN 0.672 nan 8.290 nan 0.000 0.459 264 M N 6.650 126.098 119.600 -0.253 0.000 2.240 264 M HA 0.220 4.700 4.480 -0.001 0.000 0.333 264 M C -1.628 174.538 176.300 -0.224 0.000 1.110 264 M CA -1.251 53.951 55.300 -0.164 0.000 1.173 264 M CB 0.437 32.965 32.600 -0.120 0.000 1.458 264 M HN 0.478 nan 8.290 nan 0.000 0.458 265 P HA 0.146 nan 4.420 nan 0.000 0.252 265 P C -0.330 176.789 177.300 -0.302 0.000 1.218 265 P CA 0.824 63.627 63.100 -0.495 0.000 0.807 265 P CB 0.376 31.448 31.700 -1.046 0.000 1.072 266 F N -2.279 117.678 119.950 0.011 0.000 2.629 266 F HA 0.306 4.832 4.527 -0.001 0.000 0.386 266 F C 2.070 177.966 175.800 0.160 0.000 1.135 266 F CA -1.261 56.784 58.000 0.075 0.000 1.116 266 F CB 0.302 39.278 39.000 -0.040 0.000 1.426 266 F HN -0.330 nan 8.300 nan 0.000 0.501 267 Y N 0.403 120.866 120.300 0.271 0.000 2.373 267 Y HA 0.087 4.637 4.550 -0.001 0.000 0.293 267 Y C 0.774 176.614 175.900 -0.100 0.000 1.129 267 Y CA 1.021 59.144 58.100 0.039 0.000 1.226 267 Y CB 0.062 38.453 38.460 -0.116 0.000 1.000 267 Y HN 0.310 nan 8.280 nan 0.000 0.549 268 S N -1.608 113.969 115.700 -0.206 0.000 2.618 268 S HA 0.260 4.730 4.470 -0.001 0.000 0.277 268 S C -0.376 174.178 174.600 -0.077 0.000 1.138 268 S CA -0.423 57.553 58.200 -0.373 0.000 0.844 268 S CB 0.390 63.340 63.200 -0.416 0.000 1.127 268 S HN 0.287 nan 8.310 nan 0.000 0.474 269 Y N 0.880 121.142 120.300 -0.064 0.000 2.466 269 Y HA 0.317 4.866 4.550 -0.001 0.000 0.272 269 Y C 0.396 176.388 175.900 0.153 0.000 1.169 269 Y CA -0.680 57.417 58.100 -0.005 0.000 1.285 269 Y CB -1.048 37.325 38.460 -0.145 0.000 1.078 269 Y HN 0.543 nan 8.280 nan 0.000 0.523 270 D N 0.538 121.021 120.400 0.138 0.000 2.384 270 D HA -0.003 4.636 4.640 -0.001 0.000 0.244 270 D C 1.233 177.687 176.300 0.257 0.000 1.251 270 D CA -0.445 53.694 54.000 0.232 0.000 0.961 270 D CB 0.783 41.675 40.800 0.153 0.000 1.116 270 D HN 0.241 nan 8.370 nan 0.000 0.484 271 I N -0.401 120.289 120.570 0.200 0.000 2.252 271 I HA -0.128 4.042 4.170 -0.001 0.000 0.245 271 I C -0.774 175.397 176.117 0.090 0.000 1.102 271 I CA 0.694 62.094 61.300 0.166 0.000 1.385 271 I CB -1.149 36.932 38.000 0.135 0.000 1.064 271 I HN 0.319 nan 8.210 nan 0.000 0.414 272 P HA -0.164 nan 4.420 nan 0.000 0.219 272 P C 0.603 177.617 177.300 -0.477 0.000 1.146 272 P CA 1.633 64.572 63.100 -0.269 0.000 0.808 272 P CB -0.114 31.432 31.700 -0.256 0.000 0.779 273 H N -3.062 116.023 119.070 0.026 0.000 2.486 273 H HA 0.217 4.773 4.556 -0.001 0.000 0.284 273 H C 0.915 176.355 175.328 0.188 0.000 1.103 273 H CA 0.602 56.678 56.048 0.046 0.000 1.089 273 H CB -0.222 29.630 29.762 0.151 0.000 1.603 273 H HN 0.110 nan 8.280 nan 0.000 0.557 274 T N -4.169 110.515 114.554 0.216 0.000 2.986 274 T HA -0.020 4.329 4.350 -0.001 0.000 0.264 274 T C 1.790 176.620 174.700 0.217 0.000 0.964 274 T CA 0.361 62.611 62.100 0.250 0.000 0.895 274 T CB -0.683 68.323 68.868 0.230 0.000 1.163 274 T HN 0.509 nan 8.240 nan 0.000 0.517 275 c N 1.519 120.218 118.600 0.166 0.000 2.563 275 c HA 0.713 5.282 4.570 -0.001 0.000 0.268 275 c C 1.323 175.550 174.090 0.227 0.000 1.365 275 c CA 0.364 56.831 56.329 0.230 0.000 1.754 275 c CB -1.150 41.459 42.510 0.164 0.000 1.932 275 c HN 0.883 nan 8.230 nan 0.000 0.536 276 G N -0.224 108.639 108.800 0.105 0.000 2.324 276 G HA2 0.360 4.320 3.960 -0.001 0.000 0.293 276 G HA3 0.360 4.320 3.960 -0.001 0.000 0.293 276 G C -2.734 171.811 174.900 -0.592 0.000 1.297 276 G CA 0.227 45.323 45.100 -0.006 0.000 0.853 276 G HN -0.100 nan 8.290 nan 0.000 0.535 277 P HA 0.106 nan 4.420 nan 0.000 0.231 277 P C -0.136 176.740 177.300 -0.707 0.000 1.168 277 P CA 0.985 63.380 63.100 -1.174 0.000 0.779 277 P CB 0.409 31.740 31.700 -0.614 0.000 0.844 278 D N 1.079 121.187 120.400 -0.487 0.000 2.454 278 D HA 0.142 4.782 4.640 -0.001 0.000 0.225 278 D C -1.498 174.461 176.300 -0.569 0.000 1.081 278 D CA -2.621 51.132 54.000 -0.413 0.000 0.864 278 D CB 1.311 41.954 40.800 -0.262 0.000 1.040 278 D HN -0.002 nan 8.370 nan 0.000 0.517 279 P HA -0.133 nan 4.420 nan 0.000 0.223 279 P C 1.206 177.699 177.300 -1.346 0.000 1.151 279 P CA 0.672 63.023 63.100 -1.248 0.000 0.787 279 P CB 0.463 31.120 31.700 -1.738 0.000 0.788 280 K N 0.364 120.089 120.400 -1.125 0.000 2.148 280 K HA -0.059 4.260 4.320 -0.001 0.000 0.204 280 K C 1.750 178.161 176.600 -0.315 0.000 1.050 280 K CA 1.043 56.967 56.287 -0.605 0.000 0.942 280 K CB -0.232 32.106 32.500 -0.270 0.000 0.724 280 K HN -0.072 nan 8.250 nan 0.000 0.446 281 V N 0.558 120.295 119.914 -0.296 0.000 2.331 281 V HA -0.235 3.885 4.120 -0.001 0.000 0.242 281 V C 2.426 178.488 176.094 -0.054 0.000 1.034 281 V CA 1.417 63.641 62.300 -0.126 0.000 1.027 281 V CB -0.362 31.399 31.823 -0.102 0.000 0.667 281 V HN 0.478 nan 8.190 nan 0.000 0.457 282 c N -0.670 117.824 118.600 -0.176 0.000 2.422 282 c HA -0.198 4.372 4.570 -0.001 0.000 0.279 282 c C 2.983 177.043 174.090 -0.051 0.000 1.305 282 c CA 0.760 57.051 56.329 -0.065 0.000 1.757 282 c CB -1.563 40.839 42.510 -0.180 0.000 1.962 282 c HN 0.764 nan 8.230 nan 0.000 0.499 283 c N 0.822 119.305 118.600 -0.194 0.000 2.419 283 c HA -0.140 4.430 4.570 -0.001 0.000 0.281 283 c C 2.631 176.615 174.090 -0.178 0.000 1.336 283 c CA 1.193 57.458 56.329 -0.106 0.000 1.770 283 c CB -1.440 41.082 42.510 0.019 0.000 1.929 283 c HN 0.638 nan 8.230 nan 0.000 0.509 284 Q N -1.324 118.320 119.800 -0.260 0.000 2.500 284 Q HA -0.042 4.298 4.340 -0.001 0.000 0.213 284 Q C 0.687 176.039 176.000 -1.080 0.000 0.974 284 Q CA 1.059 56.524 55.803 -0.563 0.000 0.918 284 Q CB -0.039 28.350 28.738 -0.583 0.000 0.980 284 Q HN 0.745 nan 8.270 nan 0.000 0.505 285 F N -0.312 119.347 119.950 -0.486 0.000 2.668 285 F HA 0.160 4.687 4.527 -0.001 0.000 0.301 285 F C 0.198 175.725 175.800 -0.456 0.000 1.106 285 F CA -0.592 57.028 58.000 -0.635 0.000 1.289 285 F CB 0.789 39.664 39.000 -0.210 0.000 1.006 285 F HN -0.146 nan 8.300 nan 0.000 0.535 286 D N 0.075 120.260 120.400 -0.360 0.000 2.467 286 D HA 0.133 4.773 4.640 -0.001 0.000 0.220 286 D C 0.446 176.564 176.300 -0.303 0.000 1.103 286 D CA -0.313 53.586 54.000 -0.169 0.000 0.886 286 D CB 0.106 40.865 40.800 -0.068 0.000 1.025 286 D HN 0.113 nan 8.370 nan 0.000 0.514 287 F N 1.795 121.750 119.950 0.007 0.000 2.802 287 F HA 0.113 4.639 4.527 -0.001 0.000 0.300 287 F C 2.319 178.062 175.800 -0.094 0.000 1.168 287 F CA 0.197 58.175 58.000 -0.038 0.000 1.433 287 F CB 0.188 39.189 39.000 0.001 0.000 1.115 287 F HN 0.254 nan 8.300 nan 0.000 0.582 288 K N 0.675 121.001 120.400 -0.124 0.000 2.486 288 K HA 0.035 4.354 4.320 -0.001 0.000 0.194 288 K C 1.099 177.650 176.600 -0.082 0.000 1.033 288 K CA 0.300 56.370 56.287 -0.360 0.000 1.004 288 K CB 0.116 32.272 32.500 -0.573 0.000 0.798 288 K HN 0.203 nan 8.250 nan 0.000 0.495 289 R N 0.130 120.611 120.500 -0.030 0.000 2.568 289 R HA 0.184 4.523 4.340 -0.001 0.000 0.288 289 R C 0.819 177.148 176.300 0.048 0.000 1.077 289 R CA -0.129 55.979 56.100 0.015 0.000 1.102 289 R CB 0.210 30.498 30.300 -0.021 0.000 1.278 289 R HN 0.189 nan 8.270 nan 0.000 0.560 290 M N -1.239 118.428 119.600 0.111 0.000 2.428 290 M HA 0.203 4.682 4.480 -0.001 0.000 0.239 290 M C 1.125 177.468 176.300 0.072 0.000 1.121 290 M CA 0.591 55.936 55.300 0.075 0.000 1.019 290 M CB 1.040 33.692 32.600 0.087 0.000 1.485 290 M HN 0.463 nan 8.290 nan 0.000 0.484 291 G N 0.161 109.023 108.800 0.103 0.000 3.033 291 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.196 291 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.196 291 G C 0.995 175.910 174.900 0.025 0.000 1.078 291 G CA 0.247 45.379 45.100 0.053 0.000 0.805 291 G HN 0.411 nan 8.290 nan 0.000 0.472 292 S N 0.200 115.880 115.700 -0.034 0.000 2.474 292 S HA 0.211 4.680 4.470 -0.001 0.000 0.235 292 S C 1.698 176.132 174.600 -0.278 0.000 0.997 292 S CA 1.467 59.552 58.200 -0.191 0.000 0.949 292 S CB -0.433 62.571 63.200 -0.326 0.000 0.766 292 S HN 0.385 nan 8.310 nan 0.000 0.517 293 F N 1.683 121.627 119.950 -0.010 0.000 2.727 293 F HA 0.432 4.958 4.527 -0.001 0.000 0.302 293 F C 1.853 177.647 175.800 -0.010 0.000 1.097 293 F CA 0.029 58.021 58.000 -0.013 0.000 1.330 293 F CB 0.057 39.047 39.000 -0.018 0.000 1.084 293 F HN 0.362 nan 8.300 nan 0.000 0.578 294 G N 1.161 110.035 108.800 0.123 0.000 2.143 294 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 294 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 294 G C -0.135 174.813 174.900 0.080 0.000 0.991 294 G CA 0.026 45.172 45.100 0.076 0.000 0.689 294 G HN 0.302 nan 8.290 nan 0.000 0.522 295 L N 0.125 121.408 121.223 0.100 0.000 2.323 295 L HA 0.867 5.206 4.340 -0.001 0.000 0.265 295 L C 0.486 177.387 176.870 0.052 0.000 1.012 295 L CA -0.391 54.490 54.840 0.069 0.000 0.820 295 L CB 2.360 44.457 42.059 0.064 0.000 1.334 295 L HN 0.459 nan 8.230 nan 0.000 0.427 296 S N -0.786 114.933 115.700 0.031 0.000 2.705 296 S HA 0.520 4.989 4.470 -0.001 0.000 0.280 296 S C -1.253 173.361 174.600 0.024 0.000 1.174 296 S CA -0.805 57.407 58.200 0.019 0.000 0.823 296 S CB 1.602 64.803 63.200 0.002 0.000 1.162 296 S HN 0.521 nan 8.310 nan 0.000 0.487 297 c N 2.762 121.382 118.600 0.033 0.000 2.265 297 c HA 0.540 5.109 4.570 -0.001 0.000 0.332 297 c C -1.219 172.866 174.090 -0.009 0.000 1.248 297 c CA -1.075 55.316 56.329 0.103 0.000 1.727 297 c CB 0.649 43.251 42.510 0.153 0.000 2.348 297 c HN 0.754 nan 8.230 nan 0.000 0.519 298 P HA -0.092 nan 4.420 nan 0.000 0.222 298 P C 1.206 178.200 177.300 -0.510 0.000 1.147 298 P CA 1.331 64.114 63.100 -0.528 0.000 0.790 298 P CB 0.032 31.150 31.700 -0.971 0.000 0.780 299 W N -0.051 121.227 121.300 -0.037 0.000 3.180 299 W HA 0.158 4.818 4.660 -0.001 0.000 0.254 299 W C 0.545 177.037 176.519 -0.044 0.000 1.318 299 W CA 0.190 57.509 57.345 -0.043 0.000 1.608 299 W CB -0.603 28.822 29.460 -0.057 0.000 1.124 299 W HN 0.123 nan 8.180 nan 0.000 0.694 300 K N -0.967 119.491 120.400 0.095 0.000 3.423 300 K HA -0.170 4.150 4.320 -0.001 0.000 0.306 300 K C -0.465 176.159 176.600 0.042 0.000 1.331 300 K CA 0.460 56.770 56.287 0.037 0.000 0.905 300 K CB -1.989 30.519 32.500 0.014 0.000 1.332 300 K HN -0.102 nan 8.250 nan 0.000 0.473 301 V N 1.790 121.741 119.914 0.062 0.000 2.376 301 V HA 0.314 4.434 4.120 -0.001 0.000 0.287 301 V C -1.791 174.290 176.094 -0.022 0.000 1.015 301 V CA -1.519 60.787 62.300 0.009 0.000 0.834 301 V CB 1.366 33.186 31.823 -0.005 0.000 1.001 301 V HN -0.028 nan 8.190 nan 0.000 0.428 302 P HA 0.413 nan 4.420 nan 0.000 0.276 302 P C -2.838 174.370 177.300 -0.152 0.000 1.261 302 P CA -2.087 60.971 63.100 -0.070 0.000 0.800 302 P CB 0.217 31.890 31.700 -0.045 0.000 1.066 303 P HA 0.246 nan 4.420 nan 0.000 0.272 303 P C -0.288 176.907 177.300 -0.176 0.000 1.223 303 P CA 0.207 63.096 63.100 -0.351 0.000 0.784 303 P CB 0.557 31.994 31.700 -0.439 0.000 0.923 304 R N 0.519 120.925 120.500 -0.156 0.000 2.599 304 R HA 0.414 4.753 4.340 -0.001 0.000 0.295 304 R C -0.249 176.106 176.300 0.091 0.000 0.963 304 R CA -0.666 55.416 56.100 -0.031 0.000 0.883 304 R CB 1.316 31.575 30.300 -0.068 0.000 1.171 304 R HN 0.362 nan 8.270 nan 0.000 0.450 305 T N 3.927 118.530 114.554 0.081 0.000 2.934 305 T HA 0.047 4.396 4.350 -0.001 0.000 0.306 305 T C 0.747 175.433 174.700 -0.023 0.000 1.042 305 T CA 0.102 62.224 62.100 0.036 0.000 1.145 305 T CB 0.165 69.037 68.868 0.005 0.000 0.982 305 T HN 0.193 nan 8.240 nan 0.000 0.544 306 I N 3.807 124.312 120.570 -0.108 0.000 2.529 306 I HA 0.284 4.454 4.170 -0.001 0.000 0.284 306 I C 0.962 177.027 176.117 -0.087 0.000 1.082 306 I CA -0.017 61.222 61.300 -0.102 0.000 1.406 306 I CB 0.390 38.289 38.000 -0.167 0.000 1.405 306 I HN 0.775 nan 8.210 nan 0.000 0.548 307 S N 3.559 119.219 115.700 -0.066 0.000 2.661 307 S HA 0.435 4.905 4.470 -0.001 0.000 0.285 307 S C 0.305 174.874 174.600 -0.053 0.000 1.138 307 S CA -0.763 57.407 58.200 -0.050 0.000 0.855 307 S CB 2.135 65.314 63.200 -0.036 0.000 1.136 307 S HN 0.497 nan 8.310 nan 0.000 0.484 308 D N 0.665 121.044 120.400 -0.034 0.000 2.182 308 D HA -0.131 4.508 4.640 -0.001 0.000 0.201 308 D C 1.714 177.989 176.300 -0.041 0.000 0.986 308 D CA 1.543 55.525 54.000 -0.030 0.000 0.847 308 D CB -0.191 40.607 40.800 -0.004 0.000 0.942 308 D HN 0.760 nan 8.370 nan 0.000 0.467 309 Q N 0.639 120.419 119.800 -0.034 0.000 2.172 309 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 309 Q C 1.111 177.086 176.000 -0.042 0.000 0.964 309 Q CA 1.285 57.070 55.803 -0.030 0.000 0.855 309 Q CB 0.163 28.889 28.738 -0.021 0.000 0.918 309 Q HN 0.239 nan 8.270 nan 0.000 0.444 310 N N -0.853 117.814 118.700 -0.055 0.000 2.184 310 N HA -0.067 4.673 4.740 -0.001 0.000 0.206 310 N C 1.253 176.709 175.510 -0.089 0.000 1.151 310 N CA 0.445 53.462 53.050 -0.056 0.000 0.878 310 N CB 0.101 38.563 38.487 -0.042 0.000 1.014 310 N HN 0.095 nan 8.380 nan 0.000 0.512 311 V N 0.364 120.188 119.914 -0.151 0.000 2.515 311 V HA -0.009 4.111 4.120 -0.001 0.000 0.250 311 V C 2.202 178.072 176.094 -0.373 0.000 1.058 311 V CA 1.894 64.051 62.300 -0.238 0.000 1.064 311 V CB -0.813 30.851 31.823 -0.264 0.000 0.675 311 V HN 0.416 nan 8.190 nan 0.000 0.461 312 A N -0.110 122.469 122.820 -0.402 0.000 1.898 312 A HA -0.016 4.303 4.320 -0.001 0.000 0.216 312 A C 2.418 180.039 177.584 0.061 0.000 1.181 312 A CA 2.072 54.006 52.037 -0.171 0.000 0.620 312 A CB -0.960 18.056 19.000 0.026 0.000 0.819 312 A HN 0.795 nan 8.150 nan 0.000 0.442 313 A N -0.500 122.329 122.820 0.015 0.000 1.898 313 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 313 A C 2.240 179.859 177.584 0.058 0.000 1.181 313 A CA 1.275 53.341 52.037 0.048 0.000 0.620 313 A CB -0.414 18.598 19.000 0.021 0.000 0.819 313 A HN 0.409 nan 8.150 nan 0.000 0.442 314 R N 0.061 120.587 120.500 0.044 0.000 2.075 314 R HA -0.049 4.291 4.340 -0.001 0.000 0.232 314 R C 2.412 178.747 176.300 0.059 0.000 1.126 314 R CA 1.512 57.692 56.100 0.135 0.000 0.963 314 R CB -0.927 29.454 30.300 0.135 0.000 0.858 314 R HN 0.522 nan 8.270 nan 0.000 0.435 315 S N 1.212 116.896 115.700 -0.028 0.000 2.368 315 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 315 S C 1.506 175.965 174.600 -0.235 0.000 1.030 315 S CA 1.521 59.603 58.200 -0.196 0.000 0.999 315 S CB -0.298 62.910 63.200 0.014 0.000 0.844 315 S HN 0.303 nan 8.310 nan 0.000 0.459 316 D N 1.226 121.684 120.400 0.096 0.000 2.123 316 D HA -0.063 4.576 4.640 -0.001 0.000 0.196 316 D C 1.842 178.142 176.300 0.001 0.000 0.992 316 D CA 0.900 55.018 54.000 0.197 0.000 0.833 316 D CB -0.212 40.745 40.800 0.263 0.000 0.954 316 D HN 0.246 nan 8.370 nan 0.000 0.455 317 L N -0.324 120.877 121.223 -0.038 0.000 2.046 317 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 317 L C 2.271 178.957 176.870 -0.307 0.000 1.077 317 L CA 0.573 55.367 54.840 -0.076 0.000 0.747 317 L CB -0.239 41.850 42.059 0.050 0.000 0.896 317 L HN 0.209 nan 8.230 nan 0.000 0.432 318 L N -1.020 119.840 121.223 -0.604 0.000 2.072 318 L HA -0.100 4.239 4.340 -0.001 0.000 0.205 318 L C 2.280 178.456 176.870 -1.156 0.000 1.079 318 L CA 1.490 55.639 54.840 -1.152 0.000 0.752 318 L CB -0.303 40.763 42.059 -1.656 0.000 0.906 318 L HN -0.095 nan 8.230 nan 0.000 0.436 319 V N 0.015 119.382 119.914 -0.913 0.000 2.407 319 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 319 V C 2.295 178.230 176.094 -0.265 0.000 1.055 319 V CA 1.881 63.806 62.300 -0.624 0.000 1.049 319 V CB -0.745 30.740 31.823 -0.563 0.000 0.662 319 V HN 0.577 nan 8.190 nan 0.000 0.455 320 D N -0.699 119.604 120.400 -0.161 0.000 2.104 320 D HA -0.214 4.426 4.640 -0.001 0.000 0.194 320 D C 2.236 178.515 176.300 -0.035 0.000 0.994 320 D CA 1.245 55.257 54.000 0.020 0.000 0.830 320 D CB -0.017 40.845 40.800 0.103 0.000 0.959 320 D HN 0.287 nan 8.370 nan 0.000 0.452 321 Q N -0.451 119.262 119.800 -0.146 0.000 2.061 321 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 321 Q C 2.179 178.202 176.000 0.038 0.000 0.984 321 Q CA 1.054 56.796 55.803 -0.102 0.000 0.846 321 Q CB -0.649 27.967 28.738 -0.204 0.000 0.902 321 Q HN 0.556 nan 8.270 nan 0.000 0.421 322 W N 1.448 122.651 121.300 -0.162 0.000 2.335 322 W HA -0.123 4.536 4.660 -0.001 0.000 0.311 322 W C 2.128 178.539 176.519 -0.180 0.000 1.213 322 W CA 0.830 58.079 57.345 -0.161 0.000 1.274 322 W CB -0.754 28.585 29.460 -0.202 0.000 1.148 322 W HN 0.222 nan 8.180 nan 0.000 0.498 323 K N 0.129 120.500 120.400 -0.049 0.000 2.148 323 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 323 K C 1.944 178.384 176.600 -0.266 0.000 1.050 323 K CA 1.241 57.339 56.287 -0.315 0.000 0.942 323 K CB -0.223 31.760 32.500 -0.862 0.000 0.724 323 K HN 0.092 nan 8.250 nan 0.000 0.446 324 K N 0.990 121.323 120.400 -0.111 0.000 2.025 324 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 324 K C 2.100 178.771 176.600 0.119 0.000 1.049 324 K CA 1.206 57.557 56.287 0.107 0.000 0.933 324 K CB -0.018 32.562 32.500 0.135 0.000 0.714 324 K HN 0.013 nan 8.250 nan 0.000 0.438 325 K N 0.774 121.251 120.400 0.129 0.000 2.103 325 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 325 K C 2.020 178.744 176.600 0.206 0.000 1.048 325 K CA 1.296 57.687 56.287 0.173 0.000 0.930 325 K CB -0.091 32.527 32.500 0.197 0.000 0.716 325 K HN 0.150 nan 8.250 nan 0.000 0.444 326 A N 1.099 124.021 122.820 0.170 0.000 2.070 326 A HA -0.122 4.197 4.320 -0.001 0.000 0.220 326 A C 1.669 179.422 177.584 0.281 0.000 1.159 326 A CA 1.221 53.395 52.037 0.228 0.000 0.656 326 A CB -0.282 18.804 19.000 0.143 0.000 0.800 326 A HN 0.290 nan 8.150 nan 0.000 0.453 327 E N -0.015 120.326 120.200 0.236 0.000 2.333 327 E HA -0.079 4.271 4.350 -0.001 0.000 0.198 327 E C 1.494 178.223 176.600 0.216 0.000 1.007 327 E CA 0.607 57.158 56.400 0.251 0.000 0.845 327 E CB -0.202 29.671 29.700 0.288 0.000 0.766 327 E HN 0.714 nan 8.360 nan 0.000 0.507 328 L N -0.678 120.629 121.223 0.140 0.000 2.591 328 L HA 0.074 4.413 4.340 -0.001 0.000 0.228 328 L C 0.182 176.846 176.870 -0.344 0.000 1.133 328 L CA 0.200 54.990 54.840 -0.083 0.000 0.880 328 L CB -0.016 41.868 42.059 -0.291 0.000 1.033 328 L HN -0.002 nan 8.230 nan 0.000 0.450 329 Y N -1.683 118.704 120.300 0.146 0.000 2.634 329 Y HA 0.375 4.924 4.550 -0.001 0.000 0.340 329 Y C 1.083 177.102 175.900 0.199 0.000 1.058 329 Y CA -0.960 57.245 58.100 0.176 0.000 1.081 329 Y CB 1.287 39.861 38.460 0.190 0.000 1.295 329 Y HN -0.285 nan 8.280 nan 0.000 0.487 330 R N -0.539 120.206 120.500 0.408 0.000 2.265 330 R HA 0.090 4.430 4.340 -0.001 0.000 0.194 330 R C 0.317 176.754 176.300 0.227 0.000 0.931 330 R CA 0.716 56.966 56.100 0.250 0.000 1.032 330 R CB 0.318 30.699 30.300 0.135 0.000 0.980 330 R HN 0.742 nan 8.270 nan 0.000 0.497 331 T N -0.791 113.939 114.554 0.294 0.000 2.922 331 T HA 0.113 4.463 4.350 -0.001 0.000 0.281 331 T C 0.579 175.429 174.700 0.249 0.000 1.005 331 T CA -0.953 61.287 62.100 0.232 0.000 0.982 331 T CB 1.247 70.230 68.868 0.192 0.000 1.158 331 T HN 0.070 nan 8.240 nan 0.000 0.566 332 N N 0.100 118.921 118.700 0.201 0.000 2.327 332 N HA 0.156 4.896 4.740 -0.001 0.000 0.231 332 N C -0.700 174.802 175.510 -0.014 0.000 1.130 332 N CA -0.389 52.744 53.050 0.138 0.000 0.845 332 N CB -0.182 38.303 38.487 -0.004 0.000 1.073 332 N HN 0.379 nan 8.380 nan 0.000 0.496 333 V N 1.193 121.131 119.914 0.040 0.000 2.409 333 V HA 0.420 4.540 4.120 -0.001 0.000 0.291 333 V C -0.624 175.558 176.094 0.148 0.000 1.020 333 V CA -0.970 61.357 62.300 0.045 0.000 0.848 333 V CB 1.510 33.334 31.823 0.002 0.000 0.990 333 V HN 0.187 nan 8.190 nan 0.000 0.430 334 L N 5.752 127.005 121.223 0.049 0.000 2.341 334 L HA 0.695 5.035 4.340 -0.001 0.000 0.278 334 L C -0.878 175.851 176.870 -0.235 0.000 1.005 334 L CA -0.507 54.277 54.840 -0.094 0.000 0.818 334 L CB 1.699 43.600 42.059 -0.263 0.000 1.259 334 L HN 0.624 nan 8.230 nan 0.000 0.418 335 L N 6.265 127.131 121.223 -0.595 0.000 2.276 335 L HA 0.553 4.893 4.340 -0.001 0.000 0.286 335 L C -0.999 175.573 176.870 -0.498 0.000 1.061 335 L CA 0.152 54.480 54.840 -0.854 0.000 0.807 335 L CB 0.765 41.834 42.059 -1.650 0.000 1.177 335 L HN 0.440 nan 8.230 nan 0.000 0.429 336 I N 7.394 127.755 120.570 -0.348 0.000 2.502 336 I HA 0.328 4.498 4.170 -0.001 0.000 0.276 336 I C -2.283 173.807 176.117 -0.046 0.000 1.057 336 I CA -1.996 59.193 61.300 -0.185 0.000 1.163 336 I CB 1.038 38.900 38.000 -0.229 0.000 1.288 336 I HN 0.426 nan 8.210 nan 0.000 0.479 337 P HA 0.119 nan 4.420 nan 0.000 0.266 337 P C -0.438 177.040 177.300 0.297 0.000 1.195 337 P CA -0.171 63.058 63.100 0.216 0.000 0.768 337 P CB 0.784 32.648 31.700 0.272 0.000 0.838 338 L N 3.106 124.546 121.223 0.361 0.000 2.454 338 L HA 0.762 5.102 4.340 -0.001 0.000 0.258 338 L C -0.125 176.816 176.870 0.118 0.000 1.025 338 L CA 0.377 55.352 54.840 0.224 0.000 0.901 338 L CB 0.516 42.639 42.059 0.107 0.000 1.210 338 L HN 0.611 nan 8.230 nan 0.000 0.457 339 G N 1.712 110.464 108.800 -0.080 0.000 2.342 339 G HA2 0.486 4.446 3.960 -0.001 0.000 0.297 339 G HA3 0.486 4.446 3.960 -0.001 0.000 0.297 339 G C -2.207 172.580 174.900 -0.189 0.000 1.313 339 G CA -0.235 44.559 45.100 -0.510 0.000 0.830 339 G HN 0.406 nan 8.290 nan 0.000 0.506 340 D N -1.752 118.596 120.400 -0.086 0.000 2.879 340 D HA 0.303 4.943 4.640 -0.001 0.000 0.346 340 D C -1.528 174.914 176.300 0.236 0.000 1.390 340 D CA -0.450 53.683 54.000 0.222 0.000 0.838 340 D CB 1.384 42.275 40.800 0.152 0.000 1.416 340 D HN 0.219 nan 8.370 nan 0.000 0.493 341 D N 0.425 121.028 120.400 0.339 0.000 2.417 341 D HA 0.228 4.867 4.640 -0.001 0.000 0.250 341 D C 0.216 176.698 176.300 0.303 0.000 1.166 341 D CA 0.509 54.706 54.000 0.327 0.000 0.881 341 D CB -0.264 40.832 40.800 0.493 0.000 1.164 341 D HN 0.383 nan 8.370 nan 0.000 0.467 342 F N 0.149 120.171 119.950 0.120 0.000 3.090 342 F HA -0.317 4.209 4.527 -0.001 0.000 0.282 342 F C 1.162 177.003 175.800 0.069 0.000 0.923 342 F CA 0.538 58.582 58.000 0.073 0.000 0.977 342 F CB -0.732 38.302 39.000 0.058 0.000 0.954 342 F HN 0.222 nan 8.300 nan 0.000 0.695 343 R N -0.326 120.265 120.500 0.152 0.000 2.652 343 R HA 0.424 4.763 4.340 -0.001 0.000 0.271 343 R C 0.714 177.049 176.300 0.058 0.000 1.129 343 R CA -0.581 55.492 56.100 -0.045 0.000 1.200 343 R CB -0.105 30.058 30.300 -0.229 0.000 1.146 343 R HN 0.237 nan 8.270 nan 0.000 0.581 344 F N -0.730 119.048 119.950 -0.287 0.000 3.040 344 F HA -0.291 4.235 4.527 -0.001 0.000 0.298 344 F C 1.346 177.087 175.800 -0.098 0.000 0.948 344 F CA 1.005 58.624 58.000 -0.634 0.000 1.022 344 F CB -0.919 37.423 39.000 -1.097 0.000 1.023 344 F HN 0.598 nan 8.300 nan 0.000 0.742 345 K N 0.097 120.541 120.400 0.073 0.000 2.102 345 K HA 0.068 4.388 4.320 -0.001 0.000 0.208 345 K C 0.672 177.420 176.600 0.246 0.000 1.027 345 K CA 0.563 56.975 56.287 0.209 0.000 0.958 345 K CB 0.173 32.766 32.500 0.154 0.000 0.819 345 K HN 0.275 nan 8.250 nan 0.000 0.453 346 Q N 1.582 121.490 119.800 0.180 0.000 2.352 346 Q HA 0.080 4.420 4.340 -0.001 0.000 0.260 346 Q C 0.598 176.780 176.000 0.303 0.000 0.976 346 Q CA -0.093 55.841 55.803 0.218 0.000 0.881 346 Q CB 0.944 29.849 28.738 0.278 0.000 1.235 346 Q HN 0.267 nan 8.270 nan 0.000 0.419 347 N N 0.745 119.597 118.700 0.253 0.000 2.137 347 N HA -0.174 4.565 4.740 -0.001 0.000 0.190 347 N C 1.425 177.089 175.510 0.257 0.000 1.017 347 N CA 1.988 55.188 53.050 0.251 0.000 0.859 347 N CB -0.314 38.269 38.487 0.160 0.000 1.002 347 N HN 0.769 nan 8.380 nan 0.000 0.428 348 T N -1.250 113.451 114.554 0.246 0.000 2.915 348 T HA -0.090 4.260 4.350 -0.001 0.000 0.269 348 T C 1.701 176.607 174.700 0.344 0.000 1.071 348 T CA 1.031 63.296 62.100 0.275 0.000 1.132 348 T CB -0.052 68.954 68.868 0.231 0.000 0.878 348 T HN 0.332 nan 8.240 nan 0.000 0.479 349 E N -0.132 120.223 120.200 0.259 0.000 2.072 349 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 349 E C 1.777 178.285 176.600 -0.154 0.000 0.982 349 E CA 0.745 57.061 56.400 -0.141 0.000 0.803 349 E CB -0.255 29.201 29.700 -0.407 0.000 0.755 349 E HN 0.696 nan 8.360 nan 0.000 0.453 350 W N 1.777 122.990 121.300 -0.146 0.000 2.318 350 W HA -0.215 4.444 4.660 -0.001 0.000 0.313 350 W C 2.155 178.535 176.519 -0.231 0.000 1.221 350 W CA 1.389 58.544 57.345 -0.317 0.000 1.266 350 W CB -0.341 28.560 29.460 -0.931 0.000 1.150 350 W HN 0.189 nan 8.180 nan 0.000 0.496 351 D N -0.609 119.896 120.400 0.175 0.000 2.097 351 D HA -0.166 4.474 4.640 -0.001 0.000 0.195 351 D C 2.282 178.685 176.300 0.171 0.000 0.989 351 D CA 1.413 55.567 54.000 0.256 0.000 0.827 351 D CB -0.970 39.976 40.800 0.243 0.000 0.966 351 D HN 0.017 nan 8.370 nan 0.000 0.456 352 V N 0.904 120.900 119.914 0.137 0.000 2.427 352 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 352 V C 2.233 178.367 176.094 0.068 0.000 1.051 352 V CA 1.543 63.901 62.300 0.098 0.000 1.048 352 V CB -0.056 31.872 31.823 0.175 0.000 0.666 352 V HN 0.149 nan 8.190 nan 0.000 0.456 353 Q N -0.357 119.520 119.800 0.129 0.000 2.049 353 Q HA -0.175 4.165 4.340 -0.001 0.000 0.198 353 Q C 2.343 178.557 176.000 0.357 0.000 0.971 353 Q CA 1.828 57.810 55.803 0.298 0.000 0.833 353 Q CB -0.486 28.393 28.738 0.235 0.000 0.896 353 Q HN 0.607 nan 8.270 nan 0.000 0.434 354 R N 0.454 121.135 120.500 0.300 0.000 2.083 354 R HA -0.113 4.226 4.340 -0.001 0.000 0.237 354 R C 2.223 178.710 176.300 0.310 0.000 1.137 354 R CA 1.470 57.801 56.100 0.385 0.000 0.951 354 R CB -0.092 30.442 30.300 0.391 0.000 0.851 354 R HN 0.065 nan 8.270 nan 0.000 0.434 355 V N 1.891 121.903 119.914 0.162 0.000 2.358 355 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 355 V C 2.007 178.046 176.094 -0.091 0.000 1.047 355 V CA 1.823 64.157 62.300 0.057 0.000 1.035 355 V CB -0.601 31.245 31.823 0.037 0.000 0.658 355 V HN 0.437 nan 8.190 nan 0.000 0.452 356 N N -0.641 117.891 118.700 -0.280 0.000 2.142 356 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 356 N C 1.872 177.069 175.510 -0.521 0.000 1.023 356 N CA 1.631 54.296 53.050 -0.642 0.000 0.852 356 N CB -0.311 37.156 38.487 -1.699 0.000 0.998 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.947 122.057 120.300 -0.316 0.000 2.242 357 Y HA -0.079 4.470 4.550 -0.001 0.000 0.291 357 Y C 2.367 177.761 175.900 -0.843 0.000 1.137 357 Y CA 1.023 58.804 58.100 -0.531 0.000 1.181 357 Y CB -0.077 38.169 38.460 -0.357 0.000 0.989 357 Y HN 0.132 nan 8.280 nan 0.000 0.527 358 E N -0.220 119.855 120.200 -0.207 0.000 2.118 358 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 358 E C 2.213 178.761 176.600 -0.087 0.000 0.992 358 E CA 1.111 57.460 56.400 -0.084 0.000 0.804 358 E CB -0.128 29.646 29.700 0.124 0.000 0.741 358 E HN 0.462 nan 8.360 nan 0.000 0.458 359 R N 0.301 120.728 120.500 -0.122 0.000 2.075 359 R HA -0.094 4.245 4.340 -0.001 0.000 0.232 359 R C 2.477 178.743 176.300 -0.057 0.000 1.126 359 R CA 0.877 56.934 56.100 -0.072 0.000 0.963 359 R CB -0.290 29.947 30.300 -0.104 0.000 0.858 359 R HN 0.159 nan 8.270 nan 0.000 0.435 360 L N -0.345 120.774 121.223 -0.172 0.000 2.017 360 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 360 L C 2.255 179.167 176.870 0.070 0.000 1.073 360 L CA 1.595 56.369 54.840 -0.110 0.000 0.745 360 L CB -0.476 41.432 42.059 -0.252 0.000 0.894 360 L HN 0.164 nan 8.230 nan 0.000 0.432 361 F N -0.128 119.833 119.950 0.019 0.000 2.134 361 F HA -0.245 4.282 4.527 -0.001 0.000 0.299 361 F C 2.727 178.530 175.800 0.006 0.000 1.097 361 F CA 1.041 59.039 58.000 -0.004 0.000 1.264 361 F CB -0.237 38.720 39.000 -0.072 0.000 1.001 361 F HN 0.180 nan 8.300 nan 0.000 0.479 362 E N 0.073 120.399 120.200 0.211 0.000 2.085 362 E HA -0.316 4.033 4.350 -0.001 0.000 0.194 362 E C 1.980 178.662 176.600 0.136 0.000 0.994 362 E CA 1.642 58.126 56.400 0.141 0.000 0.801 362 E CB -0.211 29.557 29.700 0.114 0.000 0.743 362 E HN 0.487 nan 8.360 nan 0.000 0.453 363 H N 0.156 119.271 119.070 0.075 0.000 2.299 363 H HA -0.049 4.507 4.556 -0.001 0.000 0.302 363 H C 2.047 177.456 175.328 0.135 0.000 1.078 363 H CA 2.171 58.276 56.048 0.095 0.000 1.323 363 H CB -0.143 29.670 29.762 0.084 0.000 1.381 363 H HN 0.163 nan 8.280 nan 0.000 0.498 364 I N 0.384 121.014 120.570 0.099 0.000 2.226 364 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 364 I C 1.695 177.832 176.117 0.034 0.000 1.100 364 I CA 1.284 62.587 61.300 0.004 0.000 1.374 364 I CB -0.279 37.654 38.000 -0.112 0.000 1.057 364 I HN 0.356 nan 8.210 nan 0.000 0.413 365 N N 0.316 119.028 118.700 0.020 0.000 2.381 365 N HA -0.112 4.628 4.740 -0.001 0.000 0.182 365 N C 1.834 177.327 175.510 -0.029 0.000 1.025 365 N CA 1.510 54.550 53.050 -0.017 0.000 0.888 365 N CB -0.247 38.223 38.487 -0.030 0.000 0.965 365 N HN 0.398 nan 8.380 nan 0.000 0.438 366 S N -0.937 114.739 115.700 -0.040 0.000 2.535 366 S HA 0.143 4.613 4.470 -0.001 0.000 0.214 366 S C 0.473 175.018 174.600 -0.092 0.000 0.980 366 S CA -0.190 57.978 58.200 -0.054 0.000 0.907 366 S CB 0.289 63.469 63.200 -0.034 0.000 0.790 366 S HN -0.021 nan 8.310 nan 0.000 0.510 367 Q N 1.283 121.003 119.800 -0.133 0.000 2.465 367 Q HA 0.545 4.885 4.340 -0.001 0.000 0.237 367 Q C 0.872 176.726 176.000 -0.244 0.000 1.051 367 Q CA 0.082 55.762 55.803 -0.206 0.000 0.874 367 Q CB 1.225 29.741 28.738 -0.369 0.000 1.207 367 Q HN 0.431 nan 8.270 nan 0.000 0.508 368 A N 2.482 125.226 122.820 -0.127 0.000 1.986 368 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 368 A C 1.606 179.117 177.584 -0.123 0.000 1.171 368 A CA 2.159 54.141 52.037 -0.093 0.000 0.640 368 A CB -0.709 18.265 19.000 -0.043 0.000 0.811 368 A HN 0.875 nan 8.150 nan 0.000 0.451 369 H N -3.268 115.713 119.070 -0.148 0.000 2.489 369 H HA -0.005 4.550 4.556 -0.001 0.000 0.293 369 H C 1.440 176.694 175.328 -0.123 0.000 1.066 369 H CA 1.521 57.471 56.048 -0.164 0.000 1.305 369 H CB -0.714 28.893 29.762 -0.259 0.000 1.386 369 H HN 0.511 nan 8.280 nan 0.000 0.551 370 F N 0.839 120.501 119.950 -0.480 0.000 2.367 370 F HA 0.009 4.535 4.527 -0.001 0.000 0.298 370 F C 0.651 176.401 175.800 -0.083 0.000 1.094 370 F CA 0.236 58.098 58.000 -0.230 0.000 1.409 370 F CB 0.025 38.861 39.000 -0.274 0.000 1.064 370 F HN 0.114 nan 8.300 nan 0.000 0.528 371 N N 0.902 119.647 118.700 0.075 0.000 2.725 371 N HA -0.167 4.572 4.740 -0.001 0.000 0.251 371 N C -1.104 174.398 175.510 -0.015 0.000 1.031 371 N CA 0.395 53.473 53.050 0.047 0.000 0.720 371 N CB -1.539 37.018 38.487 0.118 0.000 0.930 371 N HN 0.039 nan 8.380 nan 0.000 0.543 372 V N 0.589 120.488 119.914 -0.025 0.000 2.656 372 V HA 0.395 4.515 4.120 -0.001 0.000 0.307 372 V C 0.172 176.187 176.094 -0.131 0.000 1.051 372 V CA -0.665 61.570 62.300 -0.107 0.000 0.893 372 V CB 2.444 34.240 31.823 -0.045 0.000 0.999 372 V HN 0.180 nan 8.190 nan 0.000 0.426 373 Q N 3.139 122.803 119.800 -0.226 0.000 2.339 373 Q HA 0.758 5.097 4.340 -0.001 0.000 0.268 373 Q C -0.814 174.934 176.000 -0.421 0.000 1.027 373 Q CA -0.145 55.499 55.803 -0.264 0.000 0.759 373 Q CB 1.654 30.241 28.738 -0.251 0.000 1.244 373 Q HN 0.994 nan 8.270 nan 0.000 0.464 374 A N 4.379 126.935 122.820 -0.439 0.000 2.350 374 A HA 0.880 5.200 4.320 -0.001 0.000 0.324 374 A C -1.207 175.692 177.584 -1.141 0.000 1.118 374 A CA -0.509 51.101 52.037 -0.711 0.000 0.783 374 A CB 1.195 19.969 19.000 -0.377 0.000 1.236 374 A HN 0.810 nan 8.150 nan 0.000 0.457 375 Q N 0.936 119.957 119.800 -1.298 0.000 2.575 375 Q HA 0.544 4.883 4.340 -0.001 0.000 0.290 375 Q C -1.567 173.978 176.000 -0.759 0.000 0.963 375 Q CA -0.781 54.285 55.803 -1.229 0.000 0.783 375 Q CB 0.829 29.224 28.738 -0.572 0.000 1.467 375 Q HN 0.482 nan 8.270 nan 0.000 0.402 376 F N 0.311 120.156 119.950 -0.176 0.000 2.506 376 F HA 0.583 5.110 4.527 -0.001 0.000 0.351 376 F C 1.183 177.020 175.800 0.062 0.000 1.136 376 F CA 1.158 59.189 58.000 0.052 0.000 1.298 376 F CB 1.110 40.203 39.000 0.155 0.000 1.145 376 F HN 0.745 nan 8.300 nan 0.000 0.593 377 G N 0.461 109.439 108.800 0.297 0.000 2.687 377 G HA2 0.570 4.529 3.960 -0.001 0.000 0.291 377 G HA3 0.570 4.529 3.960 -0.001 0.000 0.291 377 G C -1.193 173.721 174.900 0.023 0.000 1.420 377 G CA -0.724 44.502 45.100 0.210 0.000 0.796 377 G HN 0.665 nan 8.290 nan 0.000 0.485 378 T N -1.862 112.633 114.554 -0.097 0.000 2.937 378 T HA 0.470 4.820 4.350 -0.001 0.000 0.283 378 T C 1.286 175.842 174.700 -0.240 0.000 1.012 378 T CA -0.456 61.541 62.100 -0.171 0.000 0.997 378 T CB 1.518 70.298 68.868 -0.147 0.000 1.136 378 T HN 0.583 nan 8.240 nan 0.000 0.551 379 L N 0.546 121.622 121.223 -0.244 0.000 2.046 379 L HA 0.037 4.377 4.340 -0.001 0.000 0.208 379 L C 2.767 179.596 176.870 -0.069 0.000 1.077 379 L CA 1.972 56.693 54.840 -0.198 0.000 0.747 379 L CB -1.159 40.828 42.059 -0.120 0.000 0.896 379 L HN 0.909 nan 8.230 nan 0.000 0.432 380 Q N -0.107 119.681 119.800 -0.019 0.000 2.124 380 Q HA -0.226 4.113 4.340 -0.001 0.000 0.202 380 Q C 2.088 178.026 176.000 -0.104 0.000 0.977 380 Q CA 1.972 57.796 55.803 0.035 0.000 0.850 380 Q CB -0.172 28.563 28.738 -0.005 0.000 0.901 380 Q HN 0.625 nan 8.270 nan 0.000 0.429 381 E N -1.142 118.909 120.200 -0.248 0.000 2.085 381 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 381 E C 1.709 177.866 176.600 -0.738 0.000 0.994 381 E CA 1.254 57.379 56.400 -0.459 0.000 0.801 381 E CB -0.315 29.046 29.700 -0.565 0.000 0.743 381 E HN 0.489 nan 8.360 nan 0.000 0.453 382 Y N 0.465 120.228 120.300 -0.895 0.000 2.097 382 Y HA -0.267 4.283 4.550 -0.001 0.000 0.282 382 Y C 1.870 177.463 175.900 -0.512 0.000 1.152 382 Y CA 1.766 59.363 58.100 -0.839 0.000 1.136 382 Y CB -0.624 37.379 38.460 -0.762 0.000 0.975 382 Y HN -0.019 nan 8.280 nan 0.000 0.498 383 F N 0.446 120.135 119.950 -0.436 0.000 2.186 383 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 383 F C 2.190 177.757 175.800 -0.388 0.000 1.090 383 F CA 1.128 58.840 58.000 -0.481 0.000 1.307 383 F CB -0.262 38.656 39.000 -0.136 0.000 1.019 383 F HN 0.092 nan 8.300 nan 0.000 0.489 384 D N 0.358 120.706 120.400 -0.087 0.000 2.117 384 D HA -0.169 4.470 4.640 -0.001 0.000 0.197 384 D C 2.277 178.496 176.300 -0.135 0.000 0.987 384 D CA 1.422 55.379 54.000 -0.072 0.000 0.829 384 D CB -0.502 40.245 40.800 -0.090 0.000 0.961 384 D HN 0.253 nan 8.370 nan 0.000 0.460 385 A N 0.432 123.107 122.820 -0.241 0.000 1.968 385 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 385 A C 2.498 179.954 177.584 -0.214 0.000 1.169 385 A CA 0.777 52.719 52.037 -0.158 0.000 0.638 385 A CB -0.565 18.404 19.000 -0.051 0.000 0.812 385 A HN 0.128 nan 8.150 nan 0.000 0.446 386 V N -0.094 119.553 119.914 -0.446 0.000 2.332 386 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 386 V C 2.395 178.295 176.094 -0.323 0.000 1.055 386 V CA 2.115 64.149 62.300 -0.443 0.000 1.038 386 V CB -0.991 30.378 31.823 -0.757 0.000 0.651 386 V HN 0.653 nan 8.190 nan 0.000 0.450 387 H N -0.359 118.591 119.070 -0.200 0.000 2.462 387 H HA -0.056 4.500 4.556 -0.001 0.000 0.292 387 H C 2.405 177.695 175.328 -0.063 0.000 1.049 387 H CA 1.231 57.197 56.048 -0.137 0.000 1.334 387 H CB -0.032 29.610 29.762 -0.200 0.000 1.404 387 H HN 0.550 nan 8.280 nan 0.000 0.544 388 Q N 0.359 120.177 119.800 0.029 0.000 2.084 388 Q HA -0.072 4.268 4.340 -0.001 0.000 0.202 388 Q C 2.539 178.557 176.000 0.031 0.000 0.978 388 Q CA 1.386 57.202 55.803 0.023 0.000 0.844 388 Q CB 0.007 28.747 28.738 0.003 0.000 0.898 388 Q HN 0.402 nan 8.270 nan 0.000 0.426 389 A N 0.961 123.794 122.820 0.023 0.000 1.898 389 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 389 A C 1.942 179.559 177.584 0.055 0.000 1.181 389 A CA 1.533 53.598 52.037 0.047 0.000 0.620 389 A CB -0.519 18.513 19.000 0.054 0.000 0.819 389 A HN 0.437 nan 8.150 nan 0.000 0.442 390 E N -0.157 120.092 120.200 0.082 0.000 2.058 390 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 390 E C 2.232 178.872 176.600 0.067 0.000 0.997 390 E CA 1.154 57.610 56.400 0.093 0.000 0.801 390 E CB -0.142 29.720 29.700 0.270 0.000 0.746 390 E HN 0.569 nan 8.360 nan 0.000 0.450 391 R N -0.281 120.262 120.500 0.072 0.000 2.120 391 R HA -0.062 4.277 4.340 -0.001 0.000 0.234 391 R C 2.118 178.437 176.300 0.032 0.000 1.123 391 R CA 0.919 57.046 56.100 0.046 0.000 0.975 391 R CB -0.168 30.153 30.300 0.036 0.000 0.866 391 R HN 0.133 nan 8.270 nan 0.000 0.446 392 A N 0.109 122.949 122.820 0.034 0.000 2.235 392 A HA 0.175 4.494 4.320 -0.001 0.000 0.208 392 A C 1.328 178.926 177.584 0.023 0.000 1.172 392 A CA 0.822 52.877 52.037 0.030 0.000 0.786 392 A CB -0.143 18.881 19.000 0.040 0.000 0.804 392 A HN 0.462 nan 8.150 nan 0.000 0.479 393 G N -0.417 108.393 108.800 0.016 0.000 2.143 393 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.249 393 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.249 393 G C 0.749 175.644 174.900 -0.008 0.000 0.981 393 G CA 0.684 45.785 45.100 0.001 0.000 0.665 393 G HN 0.941 nan 8.290 nan 0.000 0.528 394 Q N -0.802 119.000 119.800 0.004 0.000 2.389 394 Q HA 0.629 4.968 4.340 -0.001 0.000 0.204 394 Q C 0.995 176.973 176.000 -0.037 0.000 0.944 394 Q CA 1.330 57.138 55.803 0.008 0.000 0.908 394 Q CB 0.286 29.069 28.738 0.076 0.000 1.002 394 Q HN 1.679 nan 8.270 nan 0.000 0.493 395 A N 0.257 123.010 122.820 -0.111 0.000 2.589 395 A HA 0.550 4.869 4.320 -0.001 0.000 0.296 395 A C -1.813 175.544 177.584 -0.379 0.000 1.062 395 A CA -0.757 51.118 52.037 -0.270 0.000 0.686 395 A CB 1.824 20.588 19.000 -0.394 0.000 1.282 395 A HN 0.212 nan 8.150 nan 0.000 0.404 396 E N 0.893 120.865 120.200 -0.379 0.000 2.256 396 E HA 0.710 5.059 4.350 -0.001 0.000 0.267 396 E C -1.701 174.685 176.600 -0.356 0.000 0.892 396 E CA -0.500 55.732 56.400 -0.280 0.000 0.775 396 E CB 1.276 30.927 29.700 -0.083 0.000 1.207 396 E HN 0.481 nan 8.360 nan 0.000 0.420 397 F N 3.224 123.279 119.950 0.175 0.000 2.450 397 F HA 0.432 4.959 4.527 -0.000 0.000 0.332 397 F C -1.678 174.221 175.800 0.165 0.000 1.093 397 F CA -1.838 56.287 58.000 0.210 0.000 1.003 397 F CB 1.309 40.513 39.000 0.339 0.000 1.151 397 F HN 0.325 nan 8.300 nan 0.000 0.474 398 P HA 0.141 nan 4.420 nan 0.000 0.274 398 P C -0.660 176.778 177.300 0.230 0.000 1.237 398 P CA -0.365 62.863 63.100 0.212 0.000 0.793 398 P CB 0.962 32.756 31.700 0.156 0.000 0.977 399 T N -0.575 114.066 114.554 0.145 0.000 2.907 399 T HA 0.669 5.018 4.350 -0.001 0.000 0.284 399 T C -0.288 174.437 174.700 0.041 0.000 1.004 399 T CA -0.784 61.393 62.100 0.127 0.000 1.063 399 T CB 0.989 69.913 68.868 0.092 0.000 0.992 399 T HN 0.453 nan 8.240 nan 0.000 0.483 400 L N 1.864 123.112 121.223 0.041 0.000 2.445 400 L HA 0.730 5.069 4.340 -0.001 0.000 0.262 400 L C -0.688 176.170 176.870 -0.020 0.000 0.974 400 L CA -0.423 54.330 54.840 -0.145 0.000 0.822 400 L CB 2.207 43.926 42.059 -0.567 0.000 1.339 400 L HN 1.115 nan 8.230 nan 0.000 0.409 401 S N 2.350 117.993 115.700 -0.095 0.000 2.627 401 S HA 1.061 5.531 4.470 -0.001 0.000 0.283 401 S C -0.344 174.181 174.600 -0.125 0.000 1.127 401 S CA -0.044 58.163 58.200 0.012 0.000 0.863 401 S CB 2.058 65.233 63.200 -0.042 0.000 1.121 401 S HN 1.635 nan 8.310 nan 0.000 0.479 402 G N 0.916 109.706 108.800 -0.016 0.000 2.316 402 G HA2 0.335 4.295 3.960 -0.001 0.000 0.349 402 G HA3 0.335 4.295 3.960 -0.001 0.000 0.349 402 G C -1.927 172.888 174.900 -0.141 0.000 1.274 402 G CA -0.005 44.984 45.100 -0.185 0.000 1.018 402 G HN 1.296 nan 8.290 nan 0.000 0.486 403 D N -1.612 118.561 120.400 -0.378 0.000 2.585 403 D HA 0.732 5.372 4.640 -0.001 0.000 0.254 403 D C -0.694 175.108 176.300 -0.829 0.000 1.067 403 D CA -1.073 52.729 54.000 -0.330 0.000 1.090 403 D CB 1.138 41.923 40.800 -0.024 0.000 1.408 403 D HN 0.422 nan 8.370 nan 0.000 0.554 404 F N -0.347 119.485 119.950 -0.196 0.000 2.679 404 F HA 0.408 4.934 4.527 -0.001 0.000 0.354 404 F C -0.764 174.873 175.800 -0.271 0.000 1.423 404 F CA -0.682 57.202 58.000 -0.193 0.000 1.141 404 F CB 0.245 39.158 39.000 -0.145 0.000 1.168 404 F HN -0.006 nan 8.300 nan 0.000 0.530 405 F N -0.649 119.487 119.950 0.309 0.000 2.522 405 F HA 0.518 5.045 4.527 -0.001 0.000 0.324 405 F C 0.563 176.622 175.800 0.433 0.000 1.077 405 F CA -1.147 57.100 58.000 0.412 0.000 0.944 405 F CB 1.836 41.073 39.000 0.394 0.000 1.175 405 F HN -0.266 nan 8.300 nan 0.000 0.468 406 T N 1.788 116.724 114.554 0.637 0.000 2.799 406 T HA 0.137 4.487 4.350 -0.001 0.000 0.286 406 T C -0.901 174.270 174.700 0.786 0.000 0.973 406 T CA -0.253 62.293 62.100 0.743 0.000 1.035 406 T CB 0.239 69.407 68.868 0.501 0.000 0.932 406 T HN 0.351 nan 8.240 nan 0.000 0.469 407 Y N 3.007 123.640 120.300 0.556 0.000 2.597 407 Y HA 0.405 4.954 4.550 -0.001 0.000 0.336 407 Y C -0.103 175.854 175.900 0.096 0.000 1.216 407 Y CA -1.177 57.076 58.100 0.254 0.000 1.463 407 Y CB 0.060 38.545 38.460 0.041 0.000 1.303 407 Y HN 0.684 nan 8.280 nan 0.000 0.576 408 A N 5.107 127.540 122.820 -0.644 0.000 2.374 408 A HA 0.392 4.712 4.320 -0.001 0.000 0.305 408 A C -0.075 176.961 177.584 -0.913 0.000 1.053 408 A CA -0.238 51.242 52.037 -0.929 0.000 0.726 408 A CB 0.773 18.925 19.000 -1.412 0.000 1.229 408 A HN 0.786 nan 8.150 nan 0.000 0.431 409 D N 1.370 121.364 120.400 -0.676 0.000 2.327 409 D HA 0.063 4.703 4.640 -0.001 0.000 0.205 409 D C 0.521 176.833 176.300 0.021 0.000 0.989 409 D CA 0.517 54.346 54.000 -0.285 0.000 0.873 409 D CB 0.185 40.894 40.800 -0.152 0.000 0.955 409 D HN 0.720 nan 8.370 nan 0.000 0.515 410 R N -2.054 118.396 120.500 -0.084 0.000 2.687 410 R HA 0.435 4.775 4.340 -0.001 0.000 0.265 410 R C -0.189 176.005 176.300 -0.176 0.000 1.048 410 R CA -0.251 55.650 56.100 -0.332 0.000 0.884 410 R CB 0.975 31.150 30.300 -0.209 0.000 1.258 410 R HN -0.099 nan 8.270 nan 0.000 0.469 411 S N 0.289 115.843 115.700 -0.244 0.000 3.938 411 S HA -0.282 4.188 4.470 -0.001 0.000 0.624 411 S C 0.317 174.996 174.600 0.132 0.000 2.186 411 S CA 1.866 60.062 58.200 -0.005 0.000 4.144 411 S CB -1.099 62.080 63.200 -0.035 0.000 0.230 411 S HN 1.092 nan 8.310 nan 0.000 0.755 412 D N 1.513 121.979 120.400 0.110 0.000 2.427 412 D HA 0.209 4.848 4.640 -0.001 0.000 0.224 412 D C -0.032 176.373 176.300 0.175 0.000 1.157 412 D CA -0.158 53.973 54.000 0.218 0.000 0.828 412 D CB -1.453 39.463 40.800 0.192 0.000 0.974 412 D HN 0.501 nan 8.370 nan 0.000 0.498 413 N N 0.926 119.627 118.700 0.002 0.000 2.807 413 N HA 0.071 4.811 4.740 -0.001 0.000 0.259 413 N C -0.960 174.557 175.510 0.012 0.000 1.149 413 N CA -0.360 52.692 53.050 0.004 0.000 1.042 413 N CB 0.228 38.700 38.487 -0.026 0.000 1.367 413 N HN 0.130 nan 8.380 nan 0.000 0.516 414 Y N 0.266 120.641 120.300 0.126 0.000 2.313 414 Y HA 0.125 4.675 4.550 -0.001 0.000 0.332 414 Y C 0.083 176.168 175.900 0.310 0.000 1.071 414 Y CA -0.649 57.592 58.100 0.234 0.000 1.169 414 Y CB 0.633 39.180 38.460 0.145 0.000 1.192 414 Y HN 0.416 nan 8.280 nan 0.000 0.487 415 W N 2.398 123.820 121.300 0.204 0.000 1.809 415 W HA 0.225 4.885 4.660 -0.001 0.000 0.399 415 W C 0.873 177.434 176.519 0.070 0.000 0.636 415 W CA -0.628 56.868 57.345 0.251 0.000 2.178 415 W CB -0.509 29.205 29.460 0.424 0.000 1.632 415 W HN 0.546 nan 8.180 nan 0.000 0.470 416 S N -2.067 113.662 115.700 0.048 0.000 2.535 416 S HA 0.116 4.586 4.470 -0.001 0.000 0.214 416 S C 1.974 176.298 174.600 -0.459 0.000 0.980 416 S CA 0.371 58.230 58.200 -0.569 0.000 0.907 416 S CB 0.114 63.309 63.200 -0.009 0.000 0.790 416 S HN 0.338 nan 8.310 nan 0.000 0.510 417 G N 1.950 110.685 108.800 -0.107 0.000 2.422 417 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.218 417 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.218 417 G C 1.245 176.119 174.900 -0.043 0.000 1.146 417 G CA 0.893 45.937 45.100 -0.093 0.000 0.769 417 G HN 0.814 nan 8.290 nan 0.000 0.547 418 Y N -1.058 119.208 120.300 -0.056 0.000 2.578 418 Y HA 0.220 4.770 4.550 -0.001 0.000 0.297 418 Y C 1.935 177.950 175.900 0.191 0.000 1.176 418 Y CA -0.181 57.964 58.100 0.074 0.000 1.315 418 Y CB -0.504 38.082 38.460 0.210 0.000 1.031 418 Y HN 0.323 nan 8.280 nan 0.000 0.524 419 Y N 0.278 120.349 120.300 -0.382 0.000 2.574 419 Y HA -0.107 4.443 4.550 -0.001 0.000 0.294 419 Y C 1.423 177.267 175.900 -0.092 0.000 1.142 419 Y CA 0.657 58.574 58.100 -0.305 0.000 1.314 419 Y CB 0.153 38.473 38.460 -0.234 0.000 0.991 419 Y HN 0.261 nan 8.280 nan 0.000 0.555 420 T N -2.313 112.301 114.554 0.100 0.000 2.966 420 T HA 0.050 4.399 4.350 -0.001 0.000 0.254 420 T C 0.615 175.397 174.700 0.136 0.000 0.961 420 T CA -0.167 61.995 62.100 0.103 0.000 0.915 420 T CB 0.160 69.058 68.868 0.049 0.000 1.186 420 T HN -0.089 nan 8.240 nan 0.000 0.505 421 S N 2.446 118.225 115.700 0.130 0.000 2.558 421 S HA 0.209 4.678 4.470 -0.001 0.000 0.293 421 S C 0.387 175.116 174.600 0.215 0.000 1.292 421 S CA -0.027 58.262 58.200 0.149 0.000 1.063 421 S CB 0.113 63.388 63.200 0.126 0.000 0.831 421 S HN 0.398 nan 8.310 nan 0.000 0.499 422 R N 0.978 121.622 120.500 0.241 0.000 3.146 422 R HA -0.121 4.219 4.340 -0.001 0.000 0.250 422 R C -2.030 174.512 176.300 0.404 0.000 0.912 422 R CA 0.665 56.982 56.100 0.362 0.000 0.633 422 R CB -1.815 28.736 30.300 0.420 0.000 1.180 422 R HN 0.509 nan 8.270 nan 0.000 0.464 423 P HA -0.207 nan 4.420 nan 0.000 0.226 423 P C 1.081 178.590 177.300 0.348 0.000 1.153 423 P CA 0.881 64.195 63.100 0.355 0.000 0.777 423 P CB 0.008 31.963 31.700 0.425 0.000 0.794 424 Y N 1.601 121.988 120.300 0.146 0.000 2.128 424 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 424 Y C 2.283 178.207 175.900 0.039 0.000 1.154 424 Y CA 2.077 60.191 58.100 0.024 0.000 1.149 424 Y CB -0.924 37.411 38.460 -0.208 0.000 0.976 424 Y HN 0.069 nan 8.280 nan 0.000 0.505 425 H N -0.905 118.394 119.070 0.382 0.000 2.470 425 H HA 0.019 4.574 4.556 -0.001 0.000 0.289 425 H C 2.047 177.508 175.328 0.222 0.000 1.033 425 H CA 1.175 57.364 56.048 0.236 0.000 1.331 425 H CB -0.040 29.932 29.762 0.349 0.000 1.414 425 H HN 0.239 nan 8.280 nan 0.000 0.545 426 K N 0.444 121.066 120.400 0.370 0.000 2.063 426 K HA -0.173 4.146 4.320 -0.001 0.000 0.208 426 K C 2.259 178.914 176.600 0.092 0.000 1.048 426 K CA 1.311 57.747 56.287 0.248 0.000 0.928 426 K CB 0.044 32.669 32.500 0.208 0.000 0.713 426 K HN 0.035 nan 8.250 nan 0.000 0.442 427 R N 1.386 121.911 120.500 0.041 0.000 2.075 427 R HA -0.015 4.325 4.340 -0.001 0.000 0.232 427 R C 2.064 178.105 176.300 -0.432 0.000 1.126 427 R CA 1.457 57.503 56.100 -0.090 0.000 0.963 427 R CB -0.443 29.898 30.300 0.070 0.000 0.858 427 R HN 0.164 nan 8.270 nan 0.000 0.435 428 M N 0.284 119.489 119.600 -0.660 0.000 2.149 428 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 428 M C 1.433 177.367 176.300 -0.611 0.000 1.064 428 M CA 2.415 57.061 55.300 -1.091 0.000 1.102 428 M CB -0.322 31.848 32.600 -0.718 0.000 1.369 428 M HN 0.287 nan 8.290 nan 0.000 0.408 429 D N -0.282 119.967 120.400 -0.252 0.000 2.133 429 D HA -0.212 4.427 4.640 -0.001 0.000 0.195 429 D C 1.883 178.091 176.300 -0.154 0.000 0.997 429 D CA 1.418 55.375 54.000 -0.072 0.000 0.840 429 D CB 0.123 41.034 40.800 0.185 0.000 0.947 429 D HN 0.219 nan 8.370 nan 0.000 0.452 430 R N 0.016 120.408 120.500 -0.180 0.000 2.115 430 R HA 0.010 4.350 4.340 -0.001 0.000 0.226 430 R C 2.388 178.569 176.300 -0.199 0.000 1.100 430 R CA 0.346 56.350 56.100 -0.160 0.000 0.980 430 R CB -0.839 29.389 30.300 -0.120 0.000 0.875 430 R HN 0.260 nan 8.270 nan 0.000 0.445 431 V N 1.507 121.198 119.914 -0.372 0.000 2.261 431 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 431 V C 2.355 178.267 176.094 -0.304 0.000 1.047 431 V CA 1.561 63.617 62.300 -0.407 0.000 1.015 431 V CB -0.578 30.694 31.823 -0.919 0.000 0.642 431 V HN 0.141 nan 8.190 nan 0.000 0.446 432 L N -0.403 120.568 121.223 -0.419 0.000 2.141 432 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 432 L C 2.302 179.103 176.870 -0.115 0.000 1.094 432 L CA 1.976 56.645 54.840 -0.285 0.000 0.763 432 L CB -0.683 41.199 42.059 -0.295 0.000 0.908 432 L HN 0.334 nan 8.230 nan 0.000 0.437 433 M N -1.243 118.286 119.600 -0.119 0.000 2.089 433 M HA -0.339 4.141 4.480 -0.001 0.000 0.257 433 M C 2.368 178.628 176.300 -0.067 0.000 1.071 433 M CA 2.457 57.690 55.300 -0.111 0.000 1.096 433 M CB -0.398 32.103 32.600 -0.164 0.000 1.330 433 M HN 0.571 nan 8.290 nan 0.000 0.403 434 H N -0.806 118.223 119.070 -0.069 0.000 2.363 434 H HA -0.146 4.410 4.556 -0.001 0.000 0.301 434 H C 1.470 176.844 175.328 0.076 0.000 1.074 434 H CA 2.246 58.286 56.048 -0.013 0.000 1.354 434 H CB -0.307 29.456 29.762 0.002 0.000 1.397 434 H HN 0.463 nan 8.280 nan 0.000 0.516 435 Y N -0.342 119.829 120.300 -0.216 0.000 2.224 435 Y HA -0.157 4.392 4.550 -0.001 0.000 0.289 435 Y C 2.730 178.511 175.900 -0.199 0.000 1.146 435 Y CA 1.214 59.189 58.100 -0.208 0.000 1.182 435 Y CB -0.626 37.766 38.460 -0.114 0.000 0.983 435 Y HN 0.125 nan 8.280 nan 0.000 0.524 436 V N 0.101 120.007 119.914 -0.013 0.000 2.307 436 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 436 V C 2.528 178.559 176.094 -0.105 0.000 1.045 436 V CA 2.128 64.388 62.300 -0.065 0.000 1.024 436 V CB -0.594 31.181 31.823 -0.078 0.000 0.651 436 V HN 0.299 nan 8.190 nan 0.000 0.449 437 R N 0.459 120.875 120.500 -0.140 0.000 2.083 437 R HA -0.200 4.139 4.340 -0.001 0.000 0.237 437 R C 2.230 178.459 176.300 -0.119 0.000 1.137 437 R CA 1.981 58.005 56.100 -0.128 0.000 0.951 437 R CB -0.496 29.727 30.300 -0.130 0.000 0.851 437 R HN 0.466 nan 8.270 nan 0.000 0.434 438 A N 0.526 123.213 122.820 -0.220 0.000 1.930 438 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 438 A C 2.345 179.875 177.584 -0.090 0.000 1.175 438 A CA 1.505 53.477 52.037 -0.107 0.000 0.627 438 A CB -0.653 18.197 19.000 -0.251 0.000 0.815 438 A HN 0.573 nan 8.150 nan 0.000 0.443 439 A N -0.185 122.570 122.820 -0.109 0.000 1.930 439 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 439 A C 1.931 179.462 177.584 -0.088 0.000 1.175 439 A CA 1.492 53.477 52.037 -0.087 0.000 0.627 439 A CB -0.442 18.516 19.000 -0.071 0.000 0.815 439 A HN 0.613 nan 8.150 nan 0.000 0.443 440 E N -0.962 119.184 120.200 -0.090 0.000 2.072 440 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 440 E C 2.056 178.590 176.600 -0.111 0.000 0.985 440 E CA 1.301 57.641 56.400 -0.101 0.000 0.801 440 E CB -0.241 29.401 29.700 -0.097 0.000 0.750 440 E HN 0.749 nan 8.360 nan 0.000 0.452 441 M N 0.731 120.286 119.600 -0.075 0.000 2.099 441 M HA -0.137 4.342 4.480 -0.001 0.000 0.262 441 M C 2.145 178.428 176.300 -0.030 0.000 1.067 441 M CA 1.315 56.570 55.300 -0.076 0.000 1.124 441 M CB 0.053 32.705 32.600 0.086 0.000 1.353 441 M HN 0.076 nan 8.290 nan 0.000 0.410 442 L N 0.092 121.349 121.223 0.057 0.000 2.083 442 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 442 L C 2.610 179.631 176.870 0.251 0.000 1.083 442 L CA 1.711 56.646 54.840 0.159 0.000 0.752 442 L CB -0.516 41.482 42.059 -0.101 0.000 0.899 442 L HN 0.519 nan 8.230 nan 0.000 0.433 443 S N -1.040 114.725 115.700 0.108 0.000 2.528 443 S HA 0.080 4.550 4.470 -0.001 0.000 0.219 443 S C 1.935 176.696 174.600 0.269 0.000 0.985 443 S CA 0.370 58.708 58.200 0.231 0.000 0.914 443 S CB 0.078 63.224 63.200 -0.089 0.000 0.776 443 S HN 0.292 nan 8.310 nan 0.000 0.526 444 A N 0.892 123.697 122.820 -0.026 0.000 2.014 444 A HA 0.113 4.433 4.320 -0.001 0.000 0.218 444 A C 1.683 179.155 177.584 -0.186 0.000 1.163 444 A CA 0.680 52.606 52.037 -0.185 0.000 0.652 444 A CB -1.149 17.587 19.000 -0.441 0.000 0.808 444 A HN 0.757 nan 8.150 nan 0.000 0.449 445 W N -0.572 120.733 121.300 0.008 0.000 2.421 445 W HA -0.022 4.637 4.660 -0.001 0.000 0.270 445 W C 0.853 177.152 176.519 -0.367 0.000 1.233 445 W CA 0.959 58.208 57.345 -0.161 0.000 1.226 445 W CB -0.145 29.179 29.460 -0.228 0.000 1.121 445 W HN 0.396 nan 8.180 nan 0.000 0.579 446 H N -2.259 116.867 119.070 0.094 0.000 2.771 446 H HA 0.368 4.924 4.556 -0.001 0.000 0.367 446 H C -0.203 175.036 175.328 -0.148 0.000 1.172 446 H CA -0.939 55.014 56.048 -0.158 0.000 1.186 446 H CB 1.492 30.927 29.762 -0.546 0.000 1.790 446 H HN -0.427 nan 8.280 nan 0.000 0.556 447 S N 0.768 116.439 115.700 -0.048 0.000 2.565 447 S HA 0.172 4.641 4.470 -0.001 0.000 0.274 447 S C -1.051 173.445 174.600 -0.174 0.000 1.309 447 S CA -0.524 57.664 58.200 -0.021 0.000 1.043 447 S CB 0.215 63.412 63.200 -0.006 0.000 0.939 447 S HN 0.328 nan 8.310 nan 0.000 0.504 448 W N 1.219 122.517 121.300 -0.004 0.000 2.632 448 W HA 0.343 5.002 4.660 -0.001 0.000 0.328 448 W C -0.013 176.463 176.519 -0.072 0.000 1.044 448 W CA -0.903 56.411 57.345 -0.051 0.000 1.225 448 W CB 0.572 29.964 29.460 -0.113 0.000 1.396 448 W HN 0.568 nan 8.180 nan 0.000 0.499 449 D N 0.792 121.273 120.400 0.136 0.000 2.449 449 D HA 0.119 4.758 4.640 -0.001 0.000 0.236 449 D C 1.654 177.964 176.300 0.017 0.000 1.149 449 D CA 1.260 55.308 54.000 0.080 0.000 0.878 449 D CB 1.193 42.076 40.800 0.138 0.000 1.198 449 D HN 0.564 nan 8.370 nan 0.000 0.446 450 G N 2.957 111.775 108.800 0.030 0.000 2.462 450 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.220 450 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.220 450 G C 1.302 176.190 174.900 -0.020 0.000 1.121 450 G CA 0.403 45.507 45.100 0.006 0.000 0.758 450 G HN 0.483 nan 8.290 nan 0.000 0.559 451 M N 1.009 120.614 119.600 0.009 0.000 2.446 451 M HA 0.083 4.562 4.480 -0.001 0.000 0.263 451 M C 2.757 179.013 176.300 -0.074 0.000 1.066 451 M CA 0.863 56.200 55.300 0.061 0.000 1.087 451 M CB -0.827 31.916 32.600 0.238 0.000 1.406 451 M HN 0.316 nan 8.290 nan 0.000 0.459 452 A N -0.078 122.448 122.820 -0.491 0.000 2.119 452 A HA -0.024 4.295 4.320 -0.001 0.000 0.216 452 A C 1.257 178.649 177.584 -0.320 0.000 1.152 452 A CA 0.381 51.922 52.037 -0.826 0.000 0.708 452 A CB -0.300 17.995 19.000 -1.176 0.000 0.805 452 A HN 0.583 nan 8.150 nan 0.000 0.460 453 R N -1.787 118.599 120.500 -0.189 0.000 3.651 453 R HA -0.174 4.166 4.340 -0.001 0.000 0.292 453 R C 0.639 176.836 176.300 -0.171 0.000 1.161 453 R CA 0.706 56.734 56.100 -0.119 0.000 0.787 453 R CB -2.139 28.124 30.300 -0.062 0.000 1.249 453 R HN 0.465 nan 8.270 nan 0.000 0.476 454 I N 0.555 120.971 120.570 -0.256 0.000 2.202 454 I HA -0.182 3.988 4.170 -0.001 0.000 0.242 454 I C 2.133 178.130 176.117 -0.199 0.000 1.091 454 I CA 1.677 62.779 61.300 -0.331 0.000 1.368 454 I CB -0.687 36.969 38.000 -0.573 0.000 1.058 454 I HN 0.200 nan 8.210 nan 0.000 0.410 455 E N 0.677 120.799 120.200 -0.131 0.000 2.110 455 E HA -0.229 4.121 4.350 -0.001 0.000 0.193 455 E C 2.104 178.661 176.600 -0.072 0.000 0.988 455 E CA 1.132 57.481 56.400 -0.084 0.000 0.804 455 E CB -0.239 29.435 29.700 -0.043 0.000 0.745 455 E HN 0.481 nan 8.360 nan 0.000 0.458 456 E N 0.424 120.585 120.200 -0.065 0.000 2.051 456 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 456 E C 1.914 178.477 176.600 -0.062 0.000 0.991 456 E CA 1.021 57.392 56.400 -0.048 0.000 0.799 456 E CB 0.110 29.788 29.700 -0.037 0.000 0.748 456 E HN -0.029 nan 8.360 nan 0.000 0.449 457 R N 0.276 120.728 120.500 -0.080 0.000 2.092 457 R HA -0.008 4.332 4.340 -0.001 0.000 0.231 457 R C 2.379 178.628 176.300 -0.084 0.000 1.119 457 R CA 0.907 56.961 56.100 -0.077 0.000 0.970 457 R CB -0.456 29.792 30.300 -0.087 0.000 0.864 457 R HN 0.271 nan 8.270 nan 0.000 0.440 458 L N -0.151 121.011 121.223 -0.101 0.000 2.093 458 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 458 L C 2.354 179.163 176.870 -0.102 0.000 1.085 458 L CA 1.405 56.184 54.840 -0.101 0.000 0.755 458 L CB -0.403 41.589 42.059 -0.111 0.000 0.904 458 L HN 0.294 nan 8.230 nan 0.000 0.435 459 E N 0.206 120.350 120.200 -0.094 0.000 2.077 459 E HA -0.300 4.050 4.350 -0.001 0.000 0.193 459 E C 2.209 178.732 176.600 -0.128 0.000 0.989 459 E CA 1.250 57.584 56.400 -0.111 0.000 0.800 459 E CB 0.004 29.661 29.700 -0.072 0.000 0.746 459 E HN 0.426 nan 8.360 nan 0.000 0.452 460 Q N 0.062 119.807 119.800 -0.092 0.000 2.061 460 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 460 Q C 2.089 178.034 176.000 -0.091 0.000 0.984 460 Q CA 1.766 57.520 55.803 -0.081 0.000 0.846 460 Q CB -0.254 28.452 28.738 -0.053 0.000 0.902 460 Q HN 0.355 nan 8.270 nan 0.000 0.421 461 A N 1.015 123.783 122.820 -0.087 0.000 1.902 461 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 461 A C 2.091 179.610 177.584 -0.108 0.000 1.181 461 A CA 1.479 53.467 52.037 -0.082 0.000 0.623 461 A CB -0.518 18.442 19.000 -0.067 0.000 0.818 461 A HN 0.384 nan 8.150 nan 0.000 0.443 462 R N -0.789 119.627 120.500 -0.140 0.000 2.081 462 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 462 R C 2.455 178.600 176.300 -0.258 0.000 1.131 462 R CA 1.625 57.617 56.100 -0.181 0.000 0.960 462 R CB -0.285 29.895 30.300 -0.200 0.000 0.856 462 R HN 0.492 nan 8.270 nan 0.000 0.436 463 R N 0.271 120.582 120.500 -0.315 0.000 2.090 463 R HA -0.068 4.272 4.340 -0.001 0.000 0.228 463 R C 2.072 178.296 176.300 -0.127 0.000 1.110 463 R CA 0.924 56.762 56.100 -0.436 0.000 0.973 463 R CB 0.016 30.077 30.300 -0.398 0.000 0.869 463 R HN 0.192 nan 8.270 nan 0.000 0.440 464 E N 0.770 120.933 120.200 -0.062 0.000 2.107 464 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 464 E C 1.961 178.587 176.600 0.043 0.000 0.982 464 E CA 0.688 57.099 56.400 0.017 0.000 0.809 464 E CB -0.173 29.526 29.700 -0.002 0.000 0.756 464 E HN 0.153 nan 8.360 nan 0.000 0.459 465 L N 1.179 122.396 121.223 -0.011 0.000 2.056 465 L HA -0.077 4.263 4.340 -0.001 0.000 0.207 465 L C 2.163 179.073 176.870 0.067 0.000 1.078 465 L CA 1.596 56.448 54.840 0.020 0.000 0.749 465 L CB -0.607 41.428 42.059 -0.041 0.000 0.901 465 L HN -0.103 nan 8.230 nan 0.000 0.433 466 S N -0.385 115.320 115.700 0.007 0.000 2.368 466 S HA -0.187 4.283 4.470 -0.001 0.000 0.225 466 S C 1.852 176.588 174.600 0.227 0.000 1.030 466 S CA 1.591 59.828 58.200 0.061 0.000 0.999 466 S CB -0.600 62.535 63.200 -0.108 0.000 0.844 466 S HN 0.470 nan 8.310 nan 0.000 0.459 467 L N 0.636 122.038 121.223 0.298 0.000 2.042 467 L HA -0.031 4.309 4.340 -0.001 0.000 0.210 467 L C 1.866 178.843 176.870 0.178 0.000 1.076 467 L CA 1.649 56.660 54.840 0.285 0.000 0.749 467 L CB -0.581 41.622 42.059 0.239 0.000 0.893 467 L HN 0.292 nan 8.230 nan 0.000 0.432 468 F N -0.315 119.604 119.950 -0.052 0.000 2.546 468 F HA -0.104 4.423 4.527 -0.001 0.000 0.298 468 F C 2.149 177.863 175.800 -0.145 0.000 1.120 468 F CA 0.769 58.621 58.000 -0.246 0.000 1.456 468 F CB -0.227 38.666 39.000 -0.178 0.000 1.088 468 F HN 0.247 nan 8.300 nan 0.000 0.572 469 Q N -0.395 119.368 119.800 -0.060 0.000 2.488 469 Q HA -0.141 4.199 4.340 -0.001 0.000 0.211 469 Q C 0.484 176.418 176.000 -0.110 0.000 0.967 469 Q CA 0.413 56.152 55.803 -0.107 0.000 0.926 469 Q CB -1.325 27.422 28.738 0.014 0.000 0.992 469 Q HN 0.483 nan 8.270 nan 0.000 0.506 470 H N 2.063 121.013 119.070 -0.200 0.000 3.073 470 H HA -0.120 4.435 4.556 -0.001 0.000 0.340 470 H C 1.326 176.489 175.328 -0.276 0.000 1.054 470 H CA 0.732 56.656 56.048 -0.207 0.000 1.372 470 H CB 0.554 30.211 29.762 -0.174 0.000 1.314 470 H HN 0.247 nan 8.280 nan 0.000 0.603 471 H N 2.156 120.797 119.070 -0.715 0.000 2.563 471 H HA -0.014 4.542 4.556 -0.001 0.000 0.272 471 H C -0.325 174.552 175.328 -0.751 0.000 1.005 471 H CA 0.732 56.322 56.048 -0.763 0.000 1.171 471 H CB 0.303 29.608 29.762 -0.763 0.000 1.351 471 H HN 0.601 nan 8.280 nan 0.000 0.602 472 D N 0.392 120.058 120.400 -1.223 0.000 2.479 472 D HA 0.131 4.770 4.640 -0.001 0.000 0.218 472 D C 1.581 177.839 176.300 -0.070 0.000 1.177 472 D CA 0.295 54.126 54.000 -0.282 0.000 0.830 472 D CB 0.860 41.733 40.800 0.121 0.000 1.014 472 D HN 0.533 nan 8.370 nan 0.000 0.503 473 G N 1.235 109.781 108.800 -0.423 0.000 2.600 473 G HA2 0.001 3.960 3.960 -0.001 0.000 0.225 473 G HA3 0.001 3.960 3.960 -0.001 0.000 0.225 473 G C 1.342 175.610 174.900 -1.054 0.000 1.623 473 G CA -0.210 44.381 45.100 -0.849 0.000 0.903 473 G HN 0.199 nan 8.290 nan 0.000 0.574 474 I N 2.035 121.705 120.570 -1.500 0.000 2.423 474 I HA -0.183 3.986 4.170 -0.001 0.000 0.254 474 I C 2.876 178.866 176.117 -0.212 0.000 1.151 474 I CA 2.091 62.819 61.300 -0.952 0.000 1.421 474 I CB -0.048 37.584 38.000 -0.612 0.000 1.079 474 I HN 0.374 nan 8.210 nan 0.000 0.431 475 T N -1.674 112.816 114.554 -0.106 0.000 3.007 475 T HA 0.020 4.369 4.350 -0.001 0.000 0.270 475 T C 1.546 176.379 174.700 0.221 0.000 1.107 475 T CA 0.662 62.892 62.100 0.217 0.000 1.118 475 T CB -0.511 68.491 68.868 0.224 0.000 0.889 475 T HN 0.652 nan 8.240 nan 0.000 0.506 476 G N 1.359 110.241 108.800 0.136 0.000 2.176 476 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G C 0.550 175.516 174.900 0.110 0.000 1.024 476 G CA 0.628 45.834 45.100 0.177 0.000 0.755 476 G HN 1.171 nan 8.290 nan 0.000 0.507 477 T N -3.307 111.303 114.554 0.094 0.000 3.215 477 T HA 0.747 5.096 4.350 -0.001 0.000 0.271 477 T C 0.789 175.693 174.700 0.339 0.000 1.012 477 T CA 1.016 63.106 62.100 -0.015 0.000 0.899 477 T CB 0.997 69.661 68.868 -0.341 0.000 1.089 477 T HN 1.574 nan 8.240 nan 0.000 0.552 478 A N 1.198 124.228 122.820 0.351 0.000 2.288 478 A HA 0.712 5.032 4.320 -0.001 0.000 0.328 478 A C 0.162 177.854 177.584 0.181 0.000 1.123 478 A CA -0.963 51.322 52.037 0.413 0.000 0.861 478 A CB 0.991 20.270 19.000 0.465 0.000 1.272 478 A HN 0.359 nan 8.150 nan 0.000 0.490 479 K N -0.211 120.223 120.400 0.056 0.000 2.219 479 K HA 0.167 4.487 4.320 -0.001 0.000 0.258 479 K C 1.065 177.682 176.600 0.028 0.000 1.008 479 K CA 0.249 56.552 56.287 0.028 0.000 0.928 479 K CB 0.458 32.969 32.500 0.019 0.000 0.983 479 K HN 0.743 nan 8.250 nan 0.000 0.484 480 T N 1.338 115.939 114.554 0.078 0.000 2.653 480 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 480 T C 1.644 176.384 174.700 0.067 0.000 1.035 480 T CA 1.841 63.989 62.100 0.081 0.000 1.154 480 T CB -0.416 68.508 68.868 0.093 0.000 0.862 480 T HN 0.672 nan 8.240 nan 0.000 0.441 481 H N 0.463 119.533 119.070 0.000 0.000 2.495 481 H HA 0.111 4.667 4.556 -0.001 0.000 0.287 481 H C 2.006 177.313 175.328 -0.035 0.000 1.033 481 H CA 0.810 56.850 56.048 -0.013 0.000 1.307 481 H CB -0.751 28.996 29.762 -0.024 0.000 1.401 481 H HN 0.281 nan 8.280 nan 0.000 0.555 482 V N 1.119 120.688 119.914 -0.576 0.000 2.488 482 V HA -0.155 3.964 4.120 -0.001 0.000 0.246 482 V C 3.000 178.914 176.094 -0.299 0.000 1.046 482 V CA 1.048 63.038 62.300 -0.517 0.000 1.053 482 V CB -0.383 31.183 31.823 -0.427 0.000 0.679 482 V HN 0.233 nan 8.190 nan 0.000 0.458 483 V N -0.010 119.863 119.914 -0.067 0.000 2.392 483 V HA -0.228 3.892 4.120 -0.001 0.000 0.249 483 V C 2.451 178.534 176.094 -0.019 0.000 1.059 483 V CA 1.862 64.175 62.300 0.021 0.000 1.051 483 V CB -0.491 31.312 31.823 -0.033 0.000 0.658 483 V HN 0.417 nan 8.190 nan 0.000 0.455 484 V N 0.377 120.291 119.914 -0.000 0.000 2.407 484 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 484 V C 2.296 178.407 176.094 0.029 0.000 1.055 484 V CA 2.396 64.726 62.300 0.050 0.000 1.049 484 V CB -0.642 31.216 31.823 0.058 0.000 0.662 484 V HN 0.640 nan 8.190 nan 0.000 0.455 485 D N -0.944 119.426 120.400 -0.050 0.000 2.097 485 D HA -0.203 4.437 4.640 -0.001 0.000 0.195 485 D C 2.014 178.313 176.300 -0.003 0.000 0.989 485 D CA 1.641 55.604 54.000 -0.061 0.000 0.827 485 D CB -0.248 40.453 40.800 -0.165 0.000 0.966 485 D HN 0.586 nan 8.370 nan 0.000 0.456 486 Y N 0.446 120.778 120.300 0.054 0.000 2.181 486 Y HA -0.145 4.405 4.550 -0.001 0.000 0.288 486 Y C 2.556 178.422 175.900 -0.058 0.000 1.146 486 Y CA 1.155 59.280 58.100 0.041 0.000 1.164 486 Y CB -0.122 38.429 38.460 0.151 0.000 0.982 486 Y HN 0.091 nan 8.280 nan 0.000 0.515 487 E N 0.473 120.765 120.200 0.154 0.000 2.077 487 E HA -0.260 4.090 4.350 -0.001 0.000 0.193 487 E C 1.973 178.641 176.600 0.114 0.000 0.989 487 E CA 1.303 57.809 56.400 0.177 0.000 0.800 487 E CB -0.038 29.862 29.700 0.333 0.000 0.746 487 E HN 0.570 nan 8.360 nan 0.000 0.452 488 Q N -0.115 119.741 119.800 0.094 0.000 2.079 488 Q HA -0.130 4.209 4.340 -0.001 0.000 0.200 488 Q C 2.318 178.347 176.000 0.048 0.000 0.974 488 Q CA 1.209 57.052 55.803 0.066 0.000 0.840 488 Q CB -0.024 28.746 28.738 0.053 0.000 0.898 488 Q HN 0.187 nan 8.270 nan 0.000 0.430 489 R N 0.091 120.623 120.500 0.054 0.000 2.073 489 R HA -0.073 4.267 4.340 -0.001 0.000 0.234 489 R C 2.259 178.564 176.300 0.009 0.000 1.134 489 R CA 1.475 57.599 56.100 0.040 0.000 0.952 489 R CB -0.165 30.182 30.300 0.078 0.000 0.850 489 R HN 0.290 nan 8.270 nan 0.000 0.433 490 M N -0.018 119.574 119.600 -0.014 0.000 2.229 490 M HA -0.166 4.314 4.480 -0.001 0.000 0.264 490 M C 2.297 178.563 176.300 -0.057 0.000 1.063 490 M CA 1.327 56.579 55.300 -0.080 0.000 1.114 490 M CB -0.115 32.373 32.600 -0.187 0.000 1.387 490 M HN 0.048 nan 8.290 nan 0.000 0.420 491 Q N 0.954 120.756 119.800 0.002 0.000 2.084 491 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 491 Q C 1.733 177.737 176.000 0.006 0.000 0.978 491 Q CA 1.624 57.441 55.803 0.024 0.000 0.844 491 Q CB -0.073 28.703 28.738 0.064 0.000 0.898 491 Q HN 0.311 nan 8.270 nan 0.000 0.426 492 E N -0.125 120.079 120.200 0.006 0.000 2.110 492 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 492 E C 1.810 178.403 176.600 -0.012 0.000 0.988 492 E CA 1.184 57.585 56.400 0.001 0.000 0.804 492 E CB -0.479 29.223 29.700 0.004 0.000 0.745 492 E HN 0.469 nan 8.360 nan 0.000 0.458 493 A N 1.013 123.816 122.820 -0.028 0.000 1.898 493 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 493 A C 2.393 179.956 177.584 -0.036 0.000 1.181 493 A CA 0.970 52.983 52.037 -0.041 0.000 0.620 493 A CB -0.674 18.289 19.000 -0.062 0.000 0.819 493 A HN 0.191 nan 8.150 nan 0.000 0.442 494 L N -0.751 120.434 121.223 -0.064 0.000 2.046 494 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 494 L C 2.579 179.479 176.870 0.051 0.000 1.077 494 L CA 1.752 56.554 54.840 -0.064 0.000 0.747 494 L CB -0.394 41.560 42.059 -0.175 0.000 0.896 494 L HN 0.365 nan 8.230 nan 0.000 0.432 495 K N -0.165 120.253 120.400 0.030 0.000 2.097 495 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 495 K C 2.234 178.856 176.600 0.036 0.000 1.049 495 K CA 1.284 57.596 56.287 0.041 0.000 0.933 495 K CB -0.242 32.271 32.500 0.022 0.000 0.717 495 K HN 0.286 nan 8.250 nan 0.000 0.442 496 A N 0.996 123.826 122.820 0.016 0.000 1.902 496 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 496 A C 2.398 179.986 177.584 0.006 0.000 1.181 496 A CA 1.475 53.510 52.037 -0.003 0.000 0.623 496 A CB -0.997 17.988 19.000 -0.024 0.000 0.818 496 A HN 0.411 nan 8.150 nan 0.000 0.443 497 C N -0.959 118.365 119.300 0.040 0.000 2.432 497 C HA -0.139 4.320 4.460 -0.001 0.000 0.277 497 C C 2.872 177.909 174.990 0.078 0.000 1.249 497 C CA 1.292 60.347 59.018 0.062 0.000 1.725 497 C CB -1.324 26.510 27.740 0.157 0.000 2.028 497 C HN 0.795 nan 8.230 nan 0.000 0.477 498 Q N 0.275 120.155 119.800 0.133 0.000 2.096 498 Q HA -0.293 4.046 4.340 -0.001 0.000 0.204 498 Q C 2.155 178.220 176.000 0.109 0.000 0.982 498 Q CA 2.167 58.045 55.803 0.125 0.000 0.850 498 Q CB -0.280 28.540 28.738 0.138 0.000 0.901 498 Q HN 0.601 nan 8.270 nan 0.000 0.422 499 M N -0.210 119.429 119.600 0.064 0.000 2.086 499 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 499 M C 1.828 178.144 176.300 0.026 0.000 1.067 499 M CA 1.545 56.874 55.300 0.048 0.000 1.116 499 M CB -0.411 32.198 32.600 0.015 0.000 1.348 499 M HN 0.133 nan 8.290 nan 0.000 0.407 500 V N 0.154 120.047 119.914 -0.035 0.000 2.358 500 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 500 V C 2.431 178.485 176.094 -0.067 0.000 1.047 500 V CA 2.123 64.343 62.300 -0.133 0.000 1.035 500 V CB -0.681 31.041 31.823 -0.169 0.000 0.658 500 V HN 0.551 nan 8.190 nan 0.000 0.452 501 M N 0.247 119.859 119.600 0.020 0.000 2.086 501 M HA -0.255 4.225 4.480 -0.001 0.000 0.261 501 M C 2.382 178.739 176.300 0.096 0.000 1.067 501 M CA 2.372 57.718 55.300 0.077 0.000 1.116 501 M CB -0.437 32.290 32.600 0.211 0.000 1.348 501 M HN 0.545 nan 8.290 nan 0.000 0.407 502 Q N -0.226 119.712 119.800 0.230 0.000 2.123 502 Q HA -0.128 4.212 4.340 -0.001 0.000 0.199 502 Q C 1.804 177.998 176.000 0.323 0.000 0.966 502 Q CA 1.157 57.128 55.803 0.280 0.000 0.845 502 Q CB -0.643 28.362 28.738 0.445 0.000 0.907 502 Q HN 0.410 nan 8.270 nan 0.000 0.439 503 Q N 0.575 120.549 119.800 0.290 0.000 2.124 503 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 503 Q C 2.256 178.516 176.000 0.434 0.000 0.977 503 Q CA 1.723 57.776 55.803 0.417 0.000 0.850 503 Q CB -0.203 28.689 28.738 0.255 0.000 0.901 503 Q HN 0.513 nan 8.270 nan 0.000 0.429 504 S N 0.339 116.174 115.700 0.226 0.000 2.368 504 S HA -0.082 4.388 4.470 -0.001 0.000 0.224 504 S C 2.220 176.865 174.600 0.075 0.000 1.029 504 S CA 0.966 59.344 58.200 0.297 0.000 0.988 504 S CB -0.185 63.116 63.200 0.169 0.000 0.838 504 S HN 0.129 nan 8.310 nan 0.000 0.462 505 V N 1.010 120.847 119.914 -0.129 0.000 2.295 505 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 505 V C 2.034 178.124 176.094 -0.007 0.000 1.049 505 V CA 1.923 64.031 62.300 -0.320 0.000 1.024 505 V CB -0.806 30.427 31.823 -0.983 0.000 0.648 505 V HN 0.572 nan 8.190 nan 0.000 0.447 506 Y N 1.402 121.783 120.300 0.135 0.000 2.165 506 Y HA -0.261 4.288 4.550 -0.001 0.000 0.286 506 Y C 2.723 178.705 175.900 0.138 0.000 1.155 506 Y CA 2.240 60.495 58.100 0.258 0.000 1.164 506 Y CB -0.401 38.108 38.460 0.083 0.000 0.978 506 Y HN 0.104 nan 8.280 nan 0.000 0.513 507 R N -0.126 120.279 120.500 -0.158 0.000 2.075 507 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 507 R C 2.153 178.117 176.300 -0.560 0.000 1.126 507 R CA 1.574 57.206 56.100 -0.781 0.000 0.963 507 R CB -0.359 29.486 30.300 -0.758 0.000 0.858 507 R HN 0.464 nan 8.270 nan 0.000 0.435 508 L N 0.283 121.329 121.223 -0.294 0.000 2.291 508 L HA -0.036 4.303 4.340 -0.001 0.000 0.214 508 L C 1.310 178.051 176.870 -0.215 0.000 1.120 508 L CA 0.708 55.340 54.840 -0.347 0.000 0.799 508 L CB 0.170 41.863 42.059 -0.611 0.000 0.925 508 L HN 0.229 nan 8.230 nan 0.000 0.446 509 L N -1.237 119.961 121.223 -0.041 0.000 3.168 509 L HA 0.234 4.573 4.340 -0.001 0.000 0.277 509 L C -0.226 176.719 176.870 0.125 0.000 1.245 509 L CA -0.104 54.799 54.840 0.105 0.000 1.035 509 L CB 0.539 42.802 42.059 0.340 0.000 1.399 509 L HN -0.015 nan 8.230 nan 0.000 0.580 510 T N -0.020 114.529 114.554 -0.007 0.000 2.829 510 T HA 0.196 4.545 4.350 -0.001 0.000 0.280 510 T C -0.160 174.473 174.700 -0.111 0.000 0.999 510 T CA -0.570 61.522 62.100 -0.014 0.000 0.983 510 T CB 2.468 71.324 68.868 -0.021 0.000 0.968 510 T HN 0.018 nan 8.240 nan 0.000 0.446 511 K N 3.638 123.986 120.400 -0.086 0.000 2.491 511 K HA 0.007 4.327 4.320 -0.001 0.000 0.279 511 K C -1.764 174.804 176.600 -0.053 0.000 1.026 511 K CA -1.094 55.149 56.287 -0.074 0.000 1.070 511 K CB 0.431 32.893 32.500 -0.063 0.000 0.887 511 K HN 0.168 nan 8.250 nan 0.000 0.481 512 P HA -0.207 nan 4.420 nan 0.000 0.216 512 P C 0.684 177.992 177.300 0.012 0.000 1.150 512 P CA 1.518 64.589 63.100 -0.048 0.000 0.843 512 P CB 0.178 31.845 31.700 -0.056 0.000 0.787 513 S N -2.314 113.387 115.700 0.002 0.000 2.607 513 S HA 0.065 4.535 4.470 -0.001 0.000 0.224 513 S C 1.621 176.233 174.600 0.020 0.000 0.969 513 S CA 0.454 58.660 58.200 0.011 0.000 0.927 513 S CB -1.078 62.120 63.200 -0.002 0.000 0.772 513 S HN 0.111 nan 8.310 nan 0.000 0.533 514 I N -0.714 119.876 120.570 0.033 0.000 3.526 514 I HA 0.208 4.377 4.170 -0.001 0.000 0.294 514 I C 0.586 176.753 176.117 0.084 0.000 1.229 514 I CA -0.386 60.943 61.300 0.048 0.000 1.408 514 I CB -0.018 38.009 38.000 0.045 0.000 1.127 514 I HN 0.256 nan 8.210 nan 0.000 0.439 515 Y N 2.592 122.843 120.300 -0.081 0.000 2.802 515 Y HA -0.051 4.498 4.550 -0.001 0.000 0.333 515 Y C 0.492 176.362 175.900 -0.049 0.000 1.244 515 Y CA 0.115 58.125 58.100 -0.150 0.000 1.558 515 Y CB 0.429 38.720 38.460 -0.282 0.000 1.233 515 Y HN -0.115 nan 8.280 nan 0.000 0.547 516 S N 8.604 124.082 115.700 -0.370 0.000 2.440 516 S HA 0.331 4.801 4.470 -0.001 0.000 0.142 516 S C -2.894 171.521 174.600 -0.308 0.000 1.578 516 S CA -1.121 56.889 58.200 -0.318 0.000 1.260 516 S CB -0.054 63.080 63.200 -0.110 0.000 1.407 516 S HN 0.650 nan 8.310 nan 0.000 0.392 517 P HA 0.340 nan 4.420 nan 0.000 0.279 517 P C -1.135 175.931 177.300 -0.390 0.000 1.239 517 P CA -0.214 62.694 63.100 -0.321 0.000 0.789 517 P CB 0.872 32.323 31.700 -0.415 0.000 0.933 518 D N 2.071 122.418 120.400 -0.089 0.000 2.392 518 D HA 0.155 4.794 4.640 -0.001 0.000 0.228 518 D C 0.208 176.541 176.300 0.054 0.000 1.074 518 D CA -0.671 53.257 54.000 -0.120 0.000 0.838 518 D CB 0.098 40.849 40.800 -0.082 0.000 1.067 518 D HN 0.046 nan 8.370 nan 0.000 0.511 519 F N 1.653 121.716 119.950 0.189 0.000 2.771 519 F HA -0.034 4.492 4.527 -0.001 0.000 0.299 519 F C 2.406 178.284 175.800 0.129 0.000 1.177 519 F CA 0.467 58.584 58.000 0.196 0.000 1.450 519 F CB -0.427 38.669 39.000 0.160 0.000 1.114 519 F HN 0.377 nan 8.300 nan 0.000 0.587 520 S N -1.713 114.130 115.700 0.238 0.000 2.524 520 S HA 0.105 4.574 4.470 -0.001 0.000 0.215 520 S C 0.372 175.018 174.600 0.076 0.000 0.986 520 S CA -0.407 57.874 58.200 0.135 0.000 0.911 520 S CB -0.619 62.640 63.200 0.098 0.000 0.805 520 S HN 0.097 nan 8.310 nan 0.000 0.501 521 F N 2.855 122.729 119.950 -0.126 0.000 2.371 521 F HA 0.601 5.127 4.527 -0.001 0.000 0.329 521 F C -0.046 175.512 175.800 -0.404 0.000 1.107 521 F CA -0.656 57.130 58.000 -0.357 0.000 1.137 521 F CB 1.549 40.157 39.000 -0.653 0.000 1.214 521 F HN -0.052 nan 8.300 nan 0.000 0.536 522 S N 5.514 120.481 115.700 -1.221 0.000 2.464 522 S HA 0.169 4.638 4.470 -0.001 0.000 0.313 522 S C 0.342 174.337 174.600 -1.008 0.000 1.078 522 S CA -0.339 57.386 58.200 -0.790 0.000 1.096 522 S CB -0.160 62.703 63.200 -0.561 0.000 1.032 522 S HN 0.678 nan 8.310 nan 0.000 0.498 523 Y N 1.599 121.707 120.300 -0.320 0.000 2.314 523 Y HA 0.123 4.672 4.550 -0.001 0.000 0.293 523 Y C 0.345 175.715 175.900 -0.883 0.000 1.129 523 Y CA 0.779 58.560 58.100 -0.532 0.000 1.201 523 Y CB 0.170 38.379 38.460 -0.417 0.000 0.999 523 Y HN 0.489 nan 8.280 nan 0.000 0.541 524 F N -1.260 118.667 119.950 -0.038 0.000 2.588 524 F HA 0.448 4.974 4.527 -0.001 0.000 0.314 524 F C -0.033 175.802 175.800 0.057 0.000 1.069 524 F CA -1.496 56.538 58.000 0.056 0.000 0.931 524 F CB 1.602 40.773 39.000 0.285 0.000 1.260 524 F HN -0.408 nan 8.300 nan 0.000 0.465 525 T N -0.067 114.645 114.554 0.264 0.000 2.888 525 T HA 0.702 5.051 4.350 -0.001 0.000 0.284 525 T C -0.588 174.219 174.700 0.179 0.000 1.017 525 T CA -0.856 61.346 62.100 0.171 0.000 1.022 525 T CB 1.258 70.168 68.868 0.069 0.000 1.013 525 T HN 0.508 nan 8.240 nan 0.000 0.465 526 L N 1.920 123.178 121.223 0.057 0.000 2.426 526 L HA 0.382 4.721 4.340 -0.001 0.000 0.271 526 L C 0.139 177.001 176.870 -0.014 0.000 1.169 526 L CA -0.230 54.545 54.840 -0.107 0.000 0.836 526 L CB 0.583 42.559 42.059 -0.139 0.000 1.112 526 L HN 0.820 nan 8.230 nan 0.000 0.465 527 D N 1.743 122.118 120.400 -0.042 0.000 2.408 527 D HA 0.206 4.845 4.640 -0.001 0.000 0.243 527 D C -1.209 175.028 176.300 -0.105 0.000 1.075 527 D CA -0.408 53.568 54.000 -0.039 0.000 0.832 527 D CB 1.138 41.955 40.800 0.028 0.000 1.162 527 D HN 0.285 nan 8.370 nan 0.000 0.515 528 D N 2.490 122.850 120.400 -0.066 0.000 2.481 528 D HA 0.191 4.830 4.640 -0.001 0.000 0.246 528 D C 0.084 176.335 176.300 -0.081 0.000 1.109 528 D CA -0.458 53.525 54.000 -0.028 0.000 0.845 528 D CB 1.867 42.751 40.800 0.140 0.000 1.160 528 D HN 0.264 nan 8.370 nan 0.000 0.534 529 S N 2.658 118.284 115.700 -0.124 0.000 2.489 529 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 529 S C 1.370 175.930 174.600 -0.067 0.000 0.995 529 S CA 0.536 58.653 58.200 -0.138 0.000 0.934 529 S CB 0.386 63.499 63.200 -0.146 0.000 0.771 529 S HN 0.490 nan 8.310 nan 0.000 0.522 530 R N -0.606 119.888 120.500 -0.012 0.000 2.535 530 R HA 0.221 4.561 4.340 -0.001 0.000 0.323 530 R C -0.666 175.701 176.300 0.112 0.000 0.979 530 R CA -0.111 56.003 56.100 0.024 0.000 1.120 530 R CB 0.762 31.075 30.300 0.021 0.000 1.306 530 R HN 0.349 nan 8.270 nan 0.000 0.540 531 W N 1.510 122.755 121.300 -0.092 0.000 3.211 531 W HA 0.297 4.957 4.660 -0.001 0.000 0.335 531 W C -2.864 173.599 176.519 -0.093 0.000 1.113 531 W CA -2.061 55.214 57.345 -0.118 0.000 1.235 531 W CB 1.890 31.261 29.460 -0.148 0.000 1.365 531 W HN -0.188 nan 8.180 nan 0.000 0.476 532 P HA 0.092 nan 4.420 nan 0.000 0.230 532 P C 0.431 177.361 177.300 -0.616 0.000 1.158 532 P CA 1.578 63.813 63.100 -1.442 0.000 0.769 532 P CB 0.262 31.330 31.700 -1.054 0.000 0.807 533 G N -1.180 107.429 108.800 -0.319 0.000 2.675 533 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.686 533 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.686 533 G C -0.296 174.529 174.900 -0.126 0.000 1.215 533 G CA -0.736 44.265 45.100 -0.165 0.000 0.777 533 G HN 0.011 nan 8.290 nan 0.000 0.638 534 S N 0.169 115.837 115.700 -0.053 0.000 2.550 534 S HA 0.394 4.864 4.470 -0.001 0.000 0.285 534 S C 1.975 176.553 174.600 -0.037 0.000 1.326 534 S CA 1.807 60.004 58.200 -0.006 0.000 1.037 534 S CB 0.770 64.008 63.200 0.065 0.000 0.838 534 S HN 2.612 nan 8.310 nan 0.000 0.519 535 G N 0.423 109.204 108.800 -0.033 0.000 2.284 535 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.268 535 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.268 535 G C 0.737 175.594 174.900 -0.073 0.000 0.980 535 G CA 0.808 45.878 45.100 -0.051 0.000 0.631 535 G HN 0.738 nan 8.290 nan 0.000 0.548 536 V N -0.876 118.978 119.914 -0.099 0.000 2.795 536 V HA 0.463 4.582 4.120 -0.001 0.000 0.243 536 V C 0.677 176.686 176.094 -0.142 0.000 1.069 536 V CA 1.731 63.955 62.300 -0.126 0.000 1.089 536 V CB 0.438 32.149 31.823 -0.187 0.000 0.756 536 V HN 0.846 nan 8.190 nan 0.000 0.471 537 E N 0.618 120.734 120.200 -0.141 0.000 3.786 537 E HA -0.020 4.330 4.350 -0.001 0.000 0.367 537 E C -1.763 174.776 176.600 -0.101 0.000 1.072 537 E CA -0.376 55.951 56.400 -0.121 0.000 0.852 537 E CB 0.754 30.361 29.700 -0.155 0.000 1.231 537 E HN 0.165 nan 8.360 nan 0.000 0.510 538 D N 3.598 123.968 120.400 -0.051 0.000 2.671 538 D HA 0.057 4.697 4.640 -0.001 0.000 0.228 538 D C 0.629 176.914 176.300 -0.024 0.000 1.102 538 D CA 0.552 54.545 54.000 -0.011 0.000 1.044 538 D CB -0.022 40.793 40.800 0.026 0.000 1.113 538 D HN 0.391 nan 8.370 nan 0.000 0.480 539 S N 1.069 116.733 115.700 -0.060 0.000 2.558 539 S HA 0.098 4.567 4.470 -0.001 0.000 0.217 539 S C 1.039 175.612 174.600 -0.044 0.000 0.975 539 S CA -0.311 57.858 58.200 -0.052 0.000 0.912 539 S CB 0.162 63.319 63.200 -0.071 0.000 0.776 539 S HN 0.249 nan 8.310 nan 0.000 0.526 540 R N 2.873 123.332 120.500 -0.068 0.000 2.347 540 R HA 0.289 4.628 4.340 -0.001 0.000 0.304 540 R C 0.333 176.618 176.300 -0.024 0.000 1.072 540 R CA 0.084 56.109 56.100 -0.125 0.000 0.980 540 R CB 0.686 30.752 30.300 -0.390 0.000 0.986 540 R HN 0.414 nan 8.270 nan 0.000 0.448 541 T N 0.102 114.659 114.554 0.005 0.000 2.909 541 T HA 0.167 4.516 4.350 -0.001 0.000 0.289 541 T C 0.262 175.045 174.700 0.138 0.000 1.005 541 T CA -0.554 61.588 62.100 0.071 0.000 1.084 541 T CB 1.332 70.237 68.868 0.063 0.000 0.975 541 T HN 0.356 nan 8.240 nan 0.000 0.509 542 T N 4.396 119.051 114.554 0.168 0.000 2.806 542 T HA 0.394 4.743 4.350 -0.001 0.000 0.290 542 T C 0.452 175.257 174.700 0.174 0.000 0.966 542 T CA -0.497 61.733 62.100 0.218 0.000 1.060 542 T CB 0.213 69.185 68.868 0.174 0.000 0.927 542 T HN 0.593 nan 8.240 nan 0.000 0.485 543 I N 4.147 124.839 120.570 0.203 0.000 2.421 543 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 543 I C 0.166 176.369 176.117 0.143 0.000 1.089 543 I CA 0.012 61.412 61.300 0.165 0.000 1.354 543 I CB 0.168 38.271 38.000 0.171 0.000 1.413 543 I HN 0.453 nan 8.210 nan 0.000 0.513 544 I N 8.053 128.693 120.570 0.116 0.000 2.297 544 I HA 0.319 4.489 4.170 -0.001 0.000 0.291 544 I C -0.151 176.026 176.117 0.100 0.000 1.033 544 I CA -0.165 61.195 61.300 0.100 0.000 1.253 544 I CB 0.529 38.576 38.000 0.079 0.000 1.396 544 I HN 0.389 nan 8.210 nan 0.000 0.476 545 L N 5.801 127.087 121.223 0.104 0.000 2.341 545 L HA 0.960 5.300 4.340 -0.001 0.000 0.267 545 L C 0.117 177.043 176.870 0.093 0.000 1.009 545 L CA -0.697 54.204 54.840 0.101 0.000 0.819 545 L CB 2.201 44.326 42.059 0.110 0.000 1.323 545 L HN 0.704 nan 8.230 nan 0.000 0.425 546 G N 0.074 108.925 108.800 0.086 0.000 2.429 546 G HA2 0.113 4.072 3.960 -0.001 0.000 0.300 546 G HA3 0.113 4.072 3.960 -0.001 0.000 0.300 546 G C -0.210 174.732 174.900 0.070 0.000 1.598 546 G CA -0.392 44.755 45.100 0.079 0.000 0.863 546 G HN 0.720 nan 8.290 nan 0.000 0.614 547 E N -0.155 120.084 120.200 0.066 0.000 2.204 547 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 547 E C 0.650 177.279 176.600 0.048 0.000 0.990 547 E CA 1.471 57.904 56.400 0.055 0.000 0.821 547 E CB 0.130 29.860 29.700 0.050 0.000 0.750 547 E HN 0.400 nan 8.360 nan 0.000 0.477 548 D N -0.128 120.300 120.400 0.047 0.000 2.388 548 D HA 0.126 4.766 4.640 -0.001 0.000 0.221 548 D C 1.094 177.420 176.300 0.043 0.000 1.133 548 D CA 0.128 54.152 54.000 0.041 0.000 0.831 548 D CB 0.883 41.704 40.800 0.036 0.000 0.962 548 D HN 0.349 nan 8.370 nan 0.000 0.502 549 I N -0.859 119.741 120.570 0.050 0.000 4.420 549 I HA 0.107 4.276 4.170 -0.001 0.000 0.292 549 I C -1.399 174.755 176.117 0.062 0.000 1.153 549 I CA 0.092 61.424 61.300 0.052 0.000 1.315 549 I CB 1.270 39.302 38.000 0.052 0.000 1.616 549 I HN -0.176 nan 8.210 nan 0.000 0.450 550 L N 1.908 123.173 121.223 0.071 0.000 2.830 550 L HA 0.467 4.807 4.340 -0.001 0.000 0.259 550 L C -2.566 174.357 176.870 0.088 0.000 0.943 550 L CA -0.838 54.052 54.840 0.084 0.000 0.997 550 L CB 1.556 43.672 42.059 0.095 0.000 1.427 550 L HN -0.191 nan 8.230 nan 0.000 0.456 551 P HA 0.108 nan 4.420 nan 0.000 0.227 551 P C -0.321 177.034 177.300 0.092 0.000 1.161 551 P CA 0.820 63.969 63.100 0.083 0.000 0.788 551 P CB 0.345 32.088 31.700 0.071 0.000 0.822 552 S N -2.370 113.396 115.700 0.110 0.000 2.588 552 S HA 0.725 5.194 4.470 -0.001 0.000 0.269 552 S C -1.359 173.344 174.600 0.170 0.000 1.157 552 S CA -0.750 57.520 58.200 0.117 0.000 0.824 552 S CB 2.371 65.629 63.200 0.098 0.000 1.126 552 S HN -0.151 nan 8.310 nan 0.000 0.464 553 K N 0.686 121.189 120.400 0.171 0.000 2.513 553 K HA 0.561 4.880 4.320 -0.001 0.000 0.251 553 K C -1.957 174.799 176.600 0.260 0.000 0.939 553 K CA -0.250 56.188 56.287 0.251 0.000 0.793 553 K CB 0.893 33.500 32.500 0.180 0.000 1.241 553 K HN 0.843 nan 8.250 nan 0.000 0.431 554 H N 0.987 120.202 119.070 0.241 0.000 2.683 554 H HA 0.392 4.948 4.556 -0.001 0.000 0.339 554 H C -0.126 175.423 175.328 0.369 0.000 1.081 554 H CA -0.056 56.182 56.048 0.316 0.000 1.432 554 H CB 0.870 30.904 29.762 0.454 0.000 1.462 554 H HN 0.390 nan 8.280 nan 0.000 0.557 555 V N 1.155 121.311 119.914 0.404 0.000 2.914 555 V HA 0.772 4.891 4.120 -0.001 0.000 0.314 555 V C -0.642 175.771 176.094 0.530 0.000 1.084 555 V CA -0.879 61.653 62.300 0.386 0.000 0.963 555 V CB 2.103 33.889 31.823 -0.062 0.000 1.025 555 V HN 0.457 nan 8.190 nan 0.000 0.432 556 V N 4.130 124.374 119.914 0.549 0.000 2.638 556 V HA 0.616 4.736 4.120 -0.001 0.000 0.306 556 V C -0.415 176.008 176.094 0.548 0.000 1.052 556 V CA -0.370 62.216 62.300 0.477 0.000 0.885 556 V CB 1.803 33.750 31.823 0.206 0.000 0.999 556 V HN 0.944 nan 8.190 nan 0.000 0.424 557 M N 4.087 123.984 119.600 0.496 0.000 2.404 557 M HA 0.495 4.974 4.480 -0.001 0.000 0.338 557 M C -0.461 176.087 176.300 0.412 0.000 1.150 557 M CA -0.247 55.316 55.300 0.439 0.000 1.016 557 M CB 1.145 33.950 32.600 0.343 0.000 1.672 557 M HN 0.753 nan 8.290 nan 0.000 0.448 558 H N 1.878 121.137 119.070 0.316 0.000 2.492 558 H HA 0.492 5.048 4.556 -0.001 0.000 0.345 558 H C -1.365 174.069 175.328 0.177 0.000 1.136 558 H CA -0.601 55.599 56.048 0.254 0.000 1.202 558 H CB 1.217 31.186 29.762 0.345 0.000 1.524 558 H HN 0.646 nan 8.280 nan 0.000 0.506 559 N N 3.028 121.467 118.700 -0.435 0.000 2.569 559 N HA 0.039 4.778 4.740 -0.001 0.000 0.254 559 N C 0.256 175.423 175.510 -0.571 0.000 1.004 559 N CA -0.314 52.502 53.050 -0.389 0.000 0.904 559 N CB 1.610 39.981 38.487 -0.194 0.000 1.165 559 N HN 0.638 nan 8.380 nan 0.000 0.513 560 T N 2.823 117.087 114.554 -0.484 0.000 3.072 560 T HA 0.176 4.526 4.350 -0.001 0.000 0.266 560 T C 0.682 175.340 174.700 -0.070 0.000 1.127 560 T CA 0.479 62.467 62.100 -0.186 0.000 1.107 560 T CB -0.229 68.668 68.868 0.049 0.000 0.910 560 T HN 0.417 nan 8.240 nan 0.000 0.513 561 L N 2.751 123.881 121.223 -0.156 0.000 2.395 561 L HA 0.321 4.661 4.340 -0.001 0.000 0.269 561 L C -1.659 175.064 176.870 -0.245 0.000 1.133 561 L CA -1.964 52.751 54.840 -0.208 0.000 0.812 561 L CB 0.697 42.495 42.059 -0.434 0.000 1.125 561 L HN -0.043 nan 8.230 nan 0.000 0.452 562 P HA 0.071 nan 4.420 nan 0.000 0.235 562 P C -1.032 176.282 177.300 0.024 0.000 1.725 562 P CA 0.255 63.341 63.100 -0.024 0.000 0.894 562 P CB -0.346 31.397 31.700 0.070 0.000 1.704 563 H N -3.057 116.024 119.070 0.018 0.000 3.012 563 H HA 0.241 4.797 4.556 -0.001 0.000 0.367 563 H C -0.996 174.351 175.328 0.032 0.000 1.211 563 H CA -1.060 55.017 56.048 0.049 0.000 1.139 563 H CB 0.022 29.843 29.762 0.098 0.000 1.838 563 H HN -0.117 nan 8.280 nan 0.000 0.550 564 W N 1.758 123.160 121.300 0.171 0.000 2.314 564 W HA 0.195 4.855 4.660 -0.001 0.000 0.339 564 W C 0.910 177.529 176.519 0.166 0.000 1.293 564 W CA 0.456 57.868 57.345 0.112 0.000 1.288 564 W CB 0.426 29.936 29.460 0.083 0.000 1.186 564 W HN 0.509 nan 8.180 nan 0.000 0.566 565 R N 2.415 123.113 120.500 0.331 0.000 2.574 565 R HA 0.298 4.638 4.340 -0.001 0.000 0.288 565 R C -1.031 175.400 176.300 0.218 0.000 1.004 565 R CA -0.669 55.581 56.100 0.249 0.000 0.895 565 R CB 1.349 31.722 30.300 0.122 0.000 1.191 565 R HN 0.491 nan 8.270 nan 0.000 0.444 566 E N 2.411 122.717 120.200 0.178 0.000 2.204 566 E HA 0.239 4.588 4.350 -0.001 0.000 0.276 566 E C -1.196 175.449 176.600 0.075 0.000 0.974 566 E CA -0.733 55.747 56.400 0.133 0.000 0.815 566 E CB 2.254 32.026 29.700 0.118 0.000 1.119 566 E HN 0.385 nan 8.360 nan 0.000 0.393 567 Q N 3.099 122.920 119.800 0.035 0.000 2.320 567 Q HA 0.254 4.593 4.340 -0.001 0.000 0.272 567 Q C -1.452 174.503 176.000 -0.076 0.000 1.023 567 Q CA -0.607 55.187 55.803 -0.015 0.000 0.855 567 Q CB 1.436 30.157 28.738 -0.028 0.000 1.367 567 Q HN 0.556 nan 8.270 nan 0.000 0.406 568 L N 3.212 124.389 121.223 -0.078 0.000 2.453 568 L HA 0.316 4.656 4.340 -0.001 0.000 0.272 568 L C 0.208 176.942 176.870 -0.228 0.000 1.182 568 L CA -0.287 54.468 54.840 -0.141 0.000 0.858 568 L CB 0.557 42.571 42.059 -0.075 0.000 1.120 568 L HN 0.467 nan 8.230 nan 0.000 0.474 569 V N -0.591 119.082 119.914 -0.402 0.000 2.823 569 V HA 0.680 4.799 4.120 -0.001 0.000 0.312 569 V C -0.880 174.943 176.094 -0.452 0.000 1.072 569 V CA -0.872 61.148 62.300 -0.468 0.000 0.937 569 V CB 2.103 33.598 31.823 -0.547 0.000 1.013 569 V HN 0.791 nan 8.190 nan 0.000 0.430 570 D N 1.861 121.999 120.400 -0.437 0.000 2.527 570 D HA 0.648 5.287 4.640 -0.001 0.000 0.233 570 D C -1.331 174.668 176.300 -0.502 0.000 1.063 570 D CA -0.441 53.416 54.000 -0.238 0.000 0.880 570 D CB 2.473 43.233 40.800 -0.065 0.000 1.457 570 D HN 0.448 nan 8.370 nan 0.000 0.475 571 F N -0.244 119.788 119.950 0.136 0.000 2.613 571 F HA 0.339 4.866 4.527 -0.001 0.000 0.314 571 F C -0.563 175.424 175.800 0.313 0.000 1.075 571 F CA -1.057 57.037 58.000 0.157 0.000 0.945 571 F CB 1.581 40.705 39.000 0.206 0.000 1.310 571 F HN 0.157 nan 8.300 nan 0.000 0.467 572 Y N 2.048 122.506 120.300 0.263 0.000 2.304 572 Y HA 0.576 5.126 4.550 -0.001 0.000 0.328 572 Y C 0.172 176.194 175.900 0.203 0.000 1.123 572 Y CA -1.493 56.713 58.100 0.177 0.000 1.218 572 Y CB 1.054 39.571 38.460 0.096 0.000 1.207 572 Y HN 0.344 nan 8.280 nan 0.000 0.495 573 V N -0.405 119.705 119.914 0.326 0.000 3.040 573 V HA 0.567 4.687 4.120 -0.001 0.000 0.312 573 V C 0.294 176.517 176.094 0.216 0.000 1.115 573 V CA -0.820 61.633 62.300 0.255 0.000 0.998 573 V CB 1.709 33.681 31.823 0.249 0.000 1.042 573 V HN 0.666 nan 8.190 nan 0.000 0.433 574 S N 0.206 116.014 115.700 0.180 0.000 2.631 574 S HA 0.296 4.765 4.470 -0.001 0.000 0.217 574 S C 0.610 175.337 174.600 0.211 0.000 0.958 574 S CA 0.430 58.723 58.200 0.156 0.000 0.920 574 S CB -0.309 62.957 63.200 0.110 0.000 0.776 574 S HN 1.450 nan 8.310 nan 0.000 0.517 575 S N 1.253 117.083 115.700 0.216 0.000 2.541 575 S HA 0.578 5.048 4.470 -0.001 0.000 0.271 575 S C -2.616 171.891 174.600 -0.156 0.000 1.133 575 S CA -1.353 56.869 58.200 0.037 0.000 0.876 575 S CB 1.923 65.143 63.200 0.033 0.000 1.105 575 S HN 0.012 nan 8.310 nan 0.000 0.470 576 P HA 0.178 nan 4.420 nan 0.000 0.236 576 P C -0.052 177.143 177.300 -0.175 0.000 1.177 576 P CA 0.441 63.177 63.100 -0.606 0.000 0.773 576 P CB -0.172 30.861 31.700 -1.111 0.000 0.878 577 F N 0.737 120.700 119.950 0.022 0.000 2.509 577 F HA 0.284 4.811 4.527 -0.001 0.000 0.344 577 F C 0.286 176.128 175.800 0.071 0.000 1.197 577 F CA -0.876 57.164 58.000 0.067 0.000 1.294 577 F CB 0.454 39.460 39.000 0.011 0.000 1.643 577 F HN -0.346 nan 8.300 nan 0.000 0.596 578 V N 1.155 121.209 119.914 0.234 0.000 2.709 578 V HA 0.537 4.657 4.120 -0.001 0.000 0.308 578 V C -0.367 175.794 176.094 0.111 0.000 1.062 578 V CA -0.751 61.640 62.300 0.151 0.000 0.901 578 V CB 2.352 34.255 31.823 0.135 0.000 1.003 578 V HN 0.520 nan 8.190 nan 0.000 0.425 579 S N 3.005 118.750 115.700 0.076 0.000 2.599 579 S HA 0.894 5.364 4.470 -0.001 0.000 0.294 579 S C -1.027 173.557 174.600 -0.027 0.000 1.094 579 S CA -0.808 57.416 58.200 0.041 0.000 0.931 579 S CB 2.096 65.338 63.200 0.069 0.000 1.093 579 S HN 0.444 nan 8.310 nan 0.000 0.488 580 V N 1.881 121.744 119.914 -0.085 0.000 2.555 580 V HA 0.802 4.921 4.120 -0.001 0.000 0.302 580 V C 0.058 176.068 176.094 -0.139 0.000 1.038 580 V CA -0.443 61.728 62.300 -0.216 0.000 0.887 580 V CB 1.615 33.118 31.823 -0.534 0.000 0.991 580 V HN 1.202 nan 8.190 nan 0.000 0.434 581 T N -0.442 114.048 114.554 -0.107 0.000 2.906 581 T HA 0.650 4.999 4.350 -0.001 0.000 0.295 581 T C -0.784 173.899 174.700 -0.028 0.000 1.075 581 T CA -0.910 61.151 62.100 -0.066 0.000 1.005 581 T CB 2.046 70.867 68.868 -0.079 0.000 1.136 581 T HN 0.719 nan 8.240 nan 0.000 0.498 582 D N 0.600 120.957 120.400 -0.072 0.000 2.478 582 D HA 0.227 4.867 4.640 -0.001 0.000 0.269 582 D C 0.523 176.683 176.300 -0.234 0.000 1.232 582 D CA -1.149 52.689 54.000 -0.270 0.000 1.059 582 D CB 0.307 40.955 40.800 -0.255 0.000 1.104 582 D HN 0.341 nan 8.370 nan 0.000 0.566 583 L N -0.597 120.469 121.223 -0.263 0.000 2.688 583 L HA 0.372 4.711 4.340 -0.001 0.000 0.234 583 L C 1.265 178.058 176.870 -0.129 0.000 1.192 583 L CA 0.224 54.956 54.840 -0.179 0.000 0.984 583 L CB -0.714 41.246 42.059 -0.164 0.000 1.232 583 L HN 0.627 nan 8.230 nan 0.000 0.465 584 A N -0.819 121.932 122.820 -0.116 0.000 2.460 584 A HA 0.198 4.517 4.320 -0.001 0.000 0.258 584 A C 1.158 178.697 177.584 -0.075 0.000 1.300 584 A CA 0.159 52.146 52.037 -0.084 0.000 0.913 584 A CB -0.538 18.420 19.000 -0.070 0.000 1.031 584 A HN 0.461 nan 8.150 nan 0.000 0.512 585 N N 0.113 118.762 118.700 -0.085 0.000 2.741 585 N HA -0.145 4.594 4.740 -0.001 0.000 0.251 585 N C -0.994 174.475 175.510 -0.069 0.000 1.112 585 N CA 0.865 53.872 53.050 -0.072 0.000 0.750 585 N CB -1.714 36.740 38.487 -0.055 0.000 1.119 585 N HN 0.556 nan 8.380 nan 0.000 0.561 586 N N 1.209 119.863 118.700 -0.075 0.000 2.488 586 N HA 0.248 4.988 4.740 -0.001 0.000 0.274 586 N C -2.477 172.970 175.510 -0.104 0.000 1.111 586 N CA -0.873 52.129 53.050 -0.080 0.000 0.974 586 N CB 0.619 39.067 38.487 -0.064 0.000 1.089 586 N HN 0.247 nan 8.380 nan 0.000 0.465 587 P HA 0.047 nan 4.420 nan 0.000 0.269 587 P C -0.423 176.757 177.300 -0.200 0.000 1.209 587 P CA -0.073 62.871 63.100 -0.260 0.000 0.776 587 P CB 0.726 32.034 31.700 -0.654 0.000 0.876 588 V N 3.049 122.890 119.914 -0.121 0.000 2.487 588 V HA 0.180 4.299 4.120 -0.001 0.000 0.298 588 V C 0.392 176.486 176.094 -0.001 0.000 1.028 588 V CA -0.820 61.462 62.300 -0.031 0.000 0.860 588 V CB 1.525 33.351 31.823 0.005 0.000 0.991 588 V HN 0.440 nan 8.190 nan 0.000 0.427 589 E N 3.069 123.303 120.200 0.056 0.000 2.414 589 E HA 0.494 4.843 4.350 -0.001 0.000 0.263 589 E C 0.077 176.748 176.600 0.118 0.000 1.000 589 E CA 0.222 56.685 56.400 0.104 0.000 0.914 589 E CB 1.419 31.183 29.700 0.107 0.000 0.948 589 E HN 0.845 nan 8.360 nan 0.000 0.444 590 A N 2.868 125.747 122.820 0.097 0.000 2.566 590 A HA 0.521 4.840 4.320 -0.001 0.000 0.292 590 A C -0.987 176.616 177.584 0.033 0.000 1.112 590 A CA -0.686 51.418 52.037 0.112 0.000 0.707 590 A CB 1.910 20.970 19.000 0.100 0.000 1.302 590 A HN 0.526 nan 8.150 nan 0.000 0.409 591 Q N 0.891 120.720 119.800 0.048 0.000 2.337 591 Q HA 0.648 4.988 4.340 -0.001 0.000 0.270 591 Q C -1.984 174.011 176.000 -0.008 0.000 1.043 591 Q CA -0.547 55.242 55.803 -0.023 0.000 0.794 591 Q CB 2.146 30.908 28.738 0.040 0.000 1.281 591 Q HN 0.585 nan 8.270 nan 0.000 0.446 592 V N 2.653 122.490 119.914 -0.129 0.000 2.483 592 V HA 0.572 4.692 4.120 -0.001 0.000 0.295 592 V C -0.496 175.775 176.094 0.296 0.000 1.035 592 V CA -0.314 62.025 62.300 0.064 0.000 0.896 592 V CB 1.821 33.645 31.823 0.001 0.000 0.986 592 V HN 0.848 nan 8.190 nan 0.000 0.447 593 S N 5.053 120.959 115.700 0.342 0.000 2.634 593 S HA 0.688 5.157 4.470 -0.001 0.000 0.296 593 S C -2.765 171.902 174.600 0.111 0.000 1.104 593 S CA -1.177 57.206 58.200 0.306 0.000 0.920 593 S CB 2.405 65.733 63.200 0.212 0.000 1.111 593 S HN 0.531 nan 8.310 nan 0.000 0.493 594 P HA 0.264 nan 4.420 nan 0.000 0.274 594 P C -1.153 175.806 177.300 -0.568 0.000 1.256 594 P CA -0.518 62.191 63.100 -0.651 0.000 0.795 594 P CB 0.394 31.294 31.700 -1.334 0.000 1.038 595 V N 1.728 121.229 119.914 -0.689 0.000 2.334 595 V HA 0.189 4.309 4.120 -0.001 0.000 0.267 595 V C -0.572 175.215 176.094 -0.512 0.000 1.040 595 V CA -0.173 61.799 62.300 -0.547 0.000 0.866 595 V CB -0.472 30.915 31.823 -0.726 0.000 1.019 595 V HN 0.516 nan 8.190 nan 0.000 0.468 596 W N 2.992 124.202 121.300 -0.151 0.000 2.433 596 W HA 0.606 5.266 4.660 -0.001 0.000 0.315 596 W C 0.364 176.817 176.519 -0.109 0.000 1.087 596 W CA -0.347 56.904 57.345 -0.157 0.000 1.205 596 W CB 1.694 31.070 29.460 -0.140 0.000 1.288 596 W HN 0.384 nan 8.180 nan 0.000 0.504 597 S N 1.997 117.755 115.700 0.097 0.000 2.482 597 S HA 0.427 4.896 4.470 -0.001 0.000 0.303 597 S C -1.394 173.064 174.600 -0.237 0.000 1.091 597 S CA -0.728 57.455 58.200 -0.027 0.000 1.057 597 S CB 0.900 64.072 63.200 -0.046 0.000 1.031 597 S HN 0.335 nan 8.310 nan 0.000 0.485 598 W N 2.475 123.608 121.300 -0.277 0.000 2.496 598 W HA 0.491 5.151 4.660 -0.001 0.000 0.327 598 W C 0.417 176.628 176.519 -0.512 0.000 1.086 598 W CA -0.344 56.840 57.345 -0.267 0.000 1.222 598 W CB 0.709 30.085 29.460 -0.140 0.000 1.304 598 W HN 0.548 nan 8.180 nan 0.000 0.547 599 H N 1.576 120.686 119.070 0.066 0.000 2.667 599 H HA 0.106 4.661 4.556 -0.001 0.000 0.353 599 H C -1.050 174.297 175.328 0.031 0.000 1.072 599 H CA -0.922 55.107 56.048 -0.031 0.000 1.214 599 H CB 1.865 31.506 29.762 -0.203 0.000 1.600 599 H HN 0.329 nan 8.280 nan 0.000 0.527 600 H N 2.397 121.515 119.070 0.080 0.000 2.846 600 H HA 0.044 4.599 4.556 -0.001 0.000 0.278 600 H C -0.549 174.817 175.328 0.063 0.000 1.117 600 H CA -0.407 55.681 56.048 0.066 0.000 1.406 600 H CB 0.154 29.945 29.762 0.049 0.000 1.445 600 H HN 0.466 nan 8.280 nan 0.000 0.469 601 D N 3.502 123.868 120.400 -0.056 0.000 2.352 601 D HA -0.023 4.617 4.640 -0.001 0.000 0.245 601 D C 1.044 177.175 176.300 -0.283 0.000 1.224 601 D CA 0.058 54.004 54.000 -0.090 0.000 0.879 601 D CB 0.696 41.602 40.800 0.177 0.000 1.057 601 D HN 0.740 nan 8.370 nan 0.000 0.491 602 T N 1.445 115.813 114.554 -0.310 0.000 3.072 602 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 602 T C 1.642 176.271 174.700 -0.119 0.000 1.127 602 T CA 0.184 62.118 62.100 -0.276 0.000 1.107 602 T CB 0.151 68.912 68.868 -0.180 0.000 0.910 602 T HN 0.257 nan 8.240 nan 0.000 0.513 603 L N 2.083 123.262 121.223 -0.073 0.000 2.189 603 L HA 0.162 4.501 4.340 -0.001 0.000 0.199 603 L C 2.943 179.808 176.870 -0.009 0.000 1.074 603 L CA 2.041 56.862 54.840 -0.030 0.000 0.783 603 L CB -1.519 40.528 42.059 -0.021 0.000 0.955 603 L HN 0.550 nan 8.230 nan 0.000 0.460 604 T N -3.757 110.805 114.554 0.014 0.000 3.088 604 T HA -0.027 4.322 4.350 -0.001 0.000 0.259 604 T C 0.781 175.517 174.700 0.060 0.000 1.122 604 T CA -0.086 62.033 62.100 0.032 0.000 1.095 604 T CB 0.061 68.950 68.868 0.035 0.000 0.930 604 T HN 0.099 nan 8.240 nan 0.000 0.508 605 K N 1.990 122.425 120.400 0.057 0.000 3.125 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.268 605 K C 0.150 176.882 176.600 0.220 0.000 1.078 605 K CA 1.268 57.636 56.287 0.135 0.000 0.775 605 K CB -2.872 29.694 32.500 0.109 0.000 1.253 605 K HN 0.882 nan 8.250 nan 0.000 0.486 606 T N -2.823 111.886 114.554 0.257 0.000 2.901 606 T HA 0.809 5.158 4.350 -0.001 0.000 0.293 606 T C 0.319 175.276 174.700 0.428 0.000 1.084 606 T CA -1.074 61.207 62.100 0.302 0.000 1.008 606 T CB 2.262 71.281 68.868 0.252 0.000 1.170 606 T HN 0.141 nan 8.240 nan 0.000 0.509 607 I N 2.990 123.779 120.570 0.365 0.000 2.330 607 I HA 0.515 4.684 4.170 -0.001 0.000 0.289 607 I C -0.324 176.089 176.117 0.493 0.000 1.001 607 I CA -0.702 60.819 61.300 0.368 0.000 1.193 607 I CB 0.552 38.690 38.000 0.229 0.000 1.345 607 I HN 0.927 nan 8.210 nan 0.000 0.461 608 H N 5.924 125.192 119.070 0.330 0.000 3.016 608 H HA 0.668 5.223 4.556 -0.001 0.000 0.362 608 H C -3.189 171.958 175.328 -0.301 0.000 1.233 608 H CA -2.381 53.688 56.048 0.035 0.000 1.124 608 H CB 1.863 31.637 29.762 0.020 0.000 1.850 608 H HN 0.151 nan 8.280 nan 0.000 0.549 609 P HA 0.227 nan 4.420 nan 0.000 0.290 609 P C -1.028 176.232 177.300 -0.067 0.000 1.275 609 P CA -0.677 61.913 63.100 -0.850 0.000 0.841 609 P CB 1.814 32.639 31.700 -1.459 0.000 1.042 610 Q N 0.735 120.619 119.800 0.140 0.000 2.337 610 Q HA 0.613 4.952 4.340 -0.001 0.000 0.266 610 Q C 0.180 176.291 176.000 0.185 0.000 1.023 610 Q CA -0.503 55.433 55.803 0.222 0.000 0.829 610 Q CB 2.454 31.261 28.738 0.115 0.000 1.306 610 Q HN 0.606 nan 8.270 nan 0.000 0.449 611 G N 0.406 109.175 108.800 -0.051 0.000 2.389 611 G HA2 0.394 4.354 3.960 -0.001 0.000 0.328 611 G HA3 0.394 4.354 3.960 -0.001 0.000 0.328 611 G C -0.416 174.235 174.900 -0.414 0.000 1.133 611 G CA -0.358 44.378 45.100 -0.607 0.000 0.891 611 G HN 0.433 nan 8.290 nan 0.000 0.485 612 S N -0.768 114.628 115.700 -0.508 0.000 2.576 612 S HA 0.325 4.794 4.470 -0.001 0.000 0.276 612 S C 1.537 175.873 174.600 -0.440 0.000 1.339 612 S CA 0.277 58.218 58.200 -0.432 0.000 1.039 612 S CB 0.740 63.630 63.200 -0.517 0.000 0.902 612 S HN 0.913 nan 8.310 nan 0.000 0.516 613 T N -0.300 114.081 114.554 -0.289 0.000 3.092 613 T HA 0.195 4.545 4.350 -0.001 0.000 0.258 613 T C 0.909 175.525 174.700 -0.141 0.000 1.031 613 T CA 0.392 62.390 62.100 -0.171 0.000 0.925 613 T CB -0.224 68.599 68.868 -0.075 0.000 1.036 613 T HN 0.706 nan 8.240 nan 0.000 0.544 614 T N -2.339 112.032 114.554 -0.304 0.000 3.186 614 T HA 0.405 4.754 4.350 -0.001 0.000 0.292 614 T C -0.035 174.471 174.700 -0.323 0.000 0.915 614 T CA -0.544 61.448 62.100 -0.180 0.000 0.902 614 T CB 0.275 69.086 68.868 -0.095 0.000 1.192 614 T HN 0.252 nan 8.240 nan 0.000 0.563 615 K N 0.571 120.543 120.400 -0.713 0.000 2.422 615 K HA 0.698 5.017 4.320 -0.001 0.000 0.251 615 K C -1.940 174.004 176.600 -1.094 0.000 0.933 615 K CA -0.748 55.175 56.287 -0.606 0.000 0.798 615 K CB 2.330 34.565 32.500 -0.441 0.000 1.238 615 K HN 0.139 nan 8.250 nan 0.000 0.428 616 Y N -0.060 120.136 120.300 -0.173 0.000 2.581 616 Y HA 0.458 5.008 4.550 -0.001 0.000 0.345 616 Y C -0.294 175.576 175.900 -0.051 0.000 1.036 616 Y CA -1.127 56.898 58.100 -0.125 0.000 1.042 616 Y CB 2.023 40.490 38.460 0.012 0.000 1.289 616 Y HN 0.221 nan 8.280 nan 0.000 0.471 617 R N 1.854 122.452 120.500 0.163 0.000 2.338 617 R HA 0.589 4.928 4.340 -0.001 0.000 0.317 617 R C -1.359 175.103 176.300 0.269 0.000 0.968 617 R CA -0.689 55.558 56.100 0.246 0.000 0.849 617 R CB 1.511 31.931 30.300 0.201 0.000 1.128 617 R HN 0.692 nan 8.270 nan 0.000 0.448 618 I N 4.535 125.293 120.570 0.312 0.000 2.441 618 I HA 0.449 4.618 4.170 -0.001 0.000 0.295 618 I C -1.104 175.204 176.117 0.318 0.000 0.994 618 I CA -0.787 60.688 61.300 0.292 0.000 1.144 618 I CB 1.205 39.391 38.000 0.309 0.000 1.314 618 I HN 0.544 nan 8.210 nan 0.000 0.445 619 I N 7.942 128.669 120.570 0.263 0.000 2.498 619 I HA 0.526 4.695 4.170 -0.001 0.000 0.290 619 I C -1.006 175.271 176.117 0.266 0.000 1.032 619 I CA -0.492 60.915 61.300 0.178 0.000 1.073 619 I CB 1.721 39.781 38.000 0.100 0.000 1.251 619 I HN 0.518 nan 8.210 nan 0.000 0.426 620 F N 2.565 122.540 119.950 0.042 0.000 2.713 620 F HA 0.574 5.100 4.527 -0.001 0.000 0.311 620 F C -1.112 174.670 175.800 -0.029 0.000 1.141 620 F CA -1.293 56.709 58.000 0.004 0.000 0.939 620 F CB 1.337 40.329 39.000 -0.014 0.000 1.325 620 F HN 0.223 nan 8.300 nan 0.000 0.453 621 K N 2.031 122.521 120.400 0.150 0.000 2.285 621 K HA 0.721 5.041 4.320 -0.001 0.000 0.286 621 K C -0.588 176.047 176.600 0.057 0.000 1.072 621 K CA -0.321 55.988 56.287 0.036 0.000 0.913 621 K CB 0.848 33.408 32.500 0.100 0.000 1.067 621 K HN 0.922 nan 8.250 nan 0.000 0.479 622 A N 4.636 127.393 122.820 -0.105 0.000 2.310 622 A HA 0.380 4.699 4.320 -0.001 0.000 0.299 622 A C -0.598 177.114 177.584 0.214 0.000 1.147 622 A CA -0.638 51.411 52.037 0.019 0.000 0.818 622 A CB 0.617 19.585 19.000 -0.054 0.000 1.096 622 A HN 0.877 nan 8.150 nan 0.000 0.495 623 R N 2.221 122.962 120.500 0.402 0.000 2.360 623 R HA 0.593 4.932 4.340 -0.001 0.000 0.318 623 R C -1.887 174.670 176.300 0.429 0.000 0.950 623 R CA -0.221 56.104 56.100 0.376 0.000 0.837 623 R CB 1.195 31.698 30.300 0.338 0.000 1.165 623 R HN 0.492 nan 8.270 nan 0.000 0.458 624 V N 6.289 126.411 119.914 0.347 0.000 2.656 624 V HA 0.464 4.584 4.120 -0.001 0.000 0.307 624 V C -2.241 173.754 176.094 -0.164 0.000 1.051 624 V CA -2.338 60.058 62.300 0.159 0.000 0.893 624 V CB 1.935 33.823 31.823 0.108 0.000 0.999 624 V HN 0.780 nan 8.190 nan 0.000 0.426 625 P HA 0.226 nan 4.420 nan 0.000 0.271 625 P C -2.751 174.064 177.300 -0.808 0.000 1.244 625 P CA -1.425 60.772 63.100 -1.505 0.000 0.793 625 P CB -0.257 30.739 31.700 -1.173 0.000 0.984 626 P HA 0.088 nan 4.420 nan 0.000 0.264 626 P C 0.113 177.361 177.300 -0.087 0.000 1.193 626 P CA 0.626 63.527 63.100 -0.331 0.000 0.763 626 P CB -0.246 31.327 31.700 -0.211 0.000 0.810 627 M N 0.262 119.854 119.600 -0.014 0.000 2.333 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.575 177.070 176.300 0.325 0.000 0.376 627 M CA 1.016 56.452 55.300 0.228 0.000 0.440 627 M CB -2.065 30.758 32.600 0.370 0.000 1.506 627 M HN 0.586 nan 8.290 nan 0.000 0.889 628 G N -0.203 108.638 108.800 0.069 0.000 3.022 628 G HA2 0.935 4.895 3.960 -0.001 0.000 0.284 628 G HA3 0.935 4.895 3.960 -0.001 0.000 0.284 628 G C -1.352 173.663 174.900 0.190 0.000 1.375 628 G CA -0.972 44.133 45.100 0.010 0.000 0.902 628 G HN 0.172 nan 8.290 nan 0.000 0.538 629 L N -0.480 120.839 121.223 0.161 0.000 2.409 629 L HA 0.797 5.136 4.340 -0.001 0.000 0.262 629 L C -0.266 176.689 176.870 0.142 0.000 0.992 629 L CA -1.016 53.950 54.840 0.211 0.000 0.817 629 L CB 2.471 44.658 42.059 0.214 0.000 1.350 629 L HN 0.767 nan 8.230 nan 0.000 0.411 630 A N 0.881 123.824 122.820 0.205 0.000 2.427 630 A HA 0.814 5.133 4.320 -0.001 0.000 0.298 630 A C -0.786 176.938 177.584 0.233 0.000 1.036 630 A CA -0.453 51.689 52.037 0.176 0.000 0.701 630 A CB 1.753 20.901 19.000 0.248 0.000 1.250 630 A HN 0.557 nan 8.150 nan 0.000 0.412 631 T N 2.096 116.688 114.554 0.064 0.000 2.829 631 T HA 0.651 5.000 4.350 -0.001 0.000 0.282 631 T C -1.047 173.577 174.700 -0.127 0.000 0.990 631 T CA 0.217 62.403 62.100 0.143 0.000 1.028 631 T CB 0.379 69.333 68.868 0.143 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.334 120.718 120.300 0.141 0.000 2.602 632 Y HA 0.670 5.220 4.550 -0.001 0.000 0.342 632 Y C -0.324 175.501 175.900 -0.125 0.000 1.029 632 Y CA -1.154 56.945 58.100 -0.001 0.000 1.080 632 Y CB 1.719 40.198 38.460 0.032 0.000 1.284 632 Y HN 0.306 nan 8.280 nan 0.000 0.485 633 V N 3.175 123.049 119.914 -0.066 0.000 2.588 633 V HA 0.423 4.543 4.120 -0.001 0.000 0.304 633 V C -0.769 175.261 176.094 -0.106 0.000 1.042 633 V CA -0.950 61.244 62.300 -0.177 0.000 0.877 633 V CB 1.715 33.364 31.823 -0.290 0.000 0.996 633 V HN 0.491 nan 8.190 nan 0.000 0.425 634 L N 4.008 125.195 121.223 -0.060 0.000 2.282 634 L HA 0.674 5.014 4.340 -0.001 0.000 0.288 634 L C -0.070 176.811 176.870 0.018 0.000 1.033 634 L CA -0.108 54.714 54.840 -0.030 0.000 0.807 634 L CB 1.741 43.797 42.059 -0.005 0.000 1.209 634 L HN 0.602 nan 8.230 nan 0.000 0.423 635 T N 3.671 118.241 114.554 0.027 0.000 2.861 635 T HA 0.468 4.817 4.350 -0.001 0.000 0.287 635 T C -0.232 174.514 174.700 0.077 0.000 1.003 635 T CA -0.391 61.740 62.100 0.051 0.000 0.977 635 T CB 2.442 71.330 68.868 0.034 0.000 0.996 635 T HN 0.388 nan 8.240 nan 0.000 0.448 636 I N 2.937 123.562 120.570 0.091 0.000 2.662 636 I HA 0.565 4.734 4.170 -0.001 0.000 0.291 636 I C 0.234 176.415 176.117 0.105 0.000 1.046 636 I CA 0.166 61.536 61.300 0.117 0.000 1.361 636 I CB 0.778 38.850 38.000 0.120 0.000 1.429 636 I HN 0.846 nan 8.210 nan 0.000 0.558 637 S N 3.097 118.878 115.700 0.135 0.000 2.720 637 S HA 0.331 4.801 4.470 -0.001 0.000 0.287 637 S C -0.100 174.539 174.600 0.066 0.000 1.168 637 S CA -0.491 57.754 58.200 0.075 0.000 0.832 637 S CB 1.462 64.685 63.200 0.038 0.000 1.166 637 S HN 0.710 nan 8.310 nan 0.000 0.493 638 D N -0.010 120.369 120.400 -0.034 0.000 2.349 638 D HA 0.154 4.793 4.640 -0.001 0.000 0.215 638 D C 0.716 176.777 176.300 -0.399 0.000 1.016 638 D CA 0.584 54.534 54.000 -0.082 0.000 0.870 638 D CB -0.145 40.620 40.800 -0.058 0.000 0.917 638 D HN 0.638 nan 8.370 nan 0.000 0.524 639 S N -1.457 113.899 115.700 -0.575 0.000 2.752 639 S HA 0.367 4.837 4.470 -0.001 0.000 0.284 639 S C -0.764 173.377 174.600 -0.764 0.000 1.189 639 S CA -1.210 56.358 58.200 -1.054 0.000 0.835 639 S CB 1.335 64.204 63.200 -0.551 0.000 1.192 639 S HN -0.043 nan 8.310 nan 0.000 0.506 640 K N 1.929 121.970 120.400 -0.599 0.000 2.466 640 K HA 0.191 4.510 4.320 -0.001 0.000 0.278 640 K C -2.403 174.198 176.600 0.002 0.000 1.048 640 K CA -0.553 55.696 56.287 -0.064 0.000 1.088 640 K CB -0.667 31.844 32.500 0.018 0.000 0.884 640 K HN 0.371 nan 8.250 nan 0.000 0.478 641 P HA 0.003 nan 4.420 nan 0.000 0.274 641 P C 0.535 177.836 177.300 0.002 0.000 1.237 641 P CA -0.365 62.763 63.100 0.047 0.000 0.793 641 P CB 0.711 32.466 31.700 0.092 0.000 0.977 642 E N 0.569 120.723 120.200 -0.077 0.000 2.110 642 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 642 E C 0.570 176.938 176.600 -0.387 0.000 0.988 642 E CA 1.140 57.384 56.400 -0.259 0.000 0.804 642 E CB -0.040 29.415 29.700 -0.409 0.000 0.745 642 E HN 0.463 nan 8.360 nan 0.000 0.458 643 H N -0.694 118.384 119.070 0.013 0.000 2.505 643 H HA 0.224 4.779 4.556 -0.001 0.000 0.286 643 H C -0.420 174.902 175.328 -0.010 0.000 1.072 643 H CA 0.189 56.240 56.048 0.006 0.000 1.141 643 H CB 0.752 30.516 29.762 0.004 0.000 1.550 643 H HN -0.048 nan 8.280 nan 0.000 0.547 644 T N 1.557 116.129 114.554 0.029 0.000 2.792 644 T HA 0.327 4.676 4.350 -0.001 0.000 0.280 644 T C 0.359 174.940 174.700 -0.198 0.000 0.990 644 T CA -0.676 61.377 62.100 -0.079 0.000 0.960 644 T CB 2.073 70.889 68.868 -0.087 0.000 0.939 644 T HN 0.269 nan 8.240 nan 0.000 0.439 645 S N 2.417 117.957 115.700 -0.266 0.000 2.718 645 S HA 0.774 5.244 4.470 -0.001 0.000 0.300 645 S C -1.362 172.886 174.600 -0.588 0.000 1.117 645 S CA -0.824 57.228 58.200 -0.246 0.000 1.002 645 S CB 0.882 64.053 63.200 -0.049 0.000 1.092 645 S HN 0.581 nan 8.310 nan 0.000 0.542 646 Y N -0.005 120.302 120.300 0.013 0.000 2.376 646 Y HA 0.645 5.195 4.550 -0.001 0.000 0.340 646 Y C 0.577 176.532 175.900 0.092 0.000 0.965 646 Y CA -0.780 57.313 58.100 -0.011 0.000 1.078 646 Y CB 1.736 40.055 38.460 -0.235 0.000 1.193 646 Y HN 1.034 nan 8.280 nan 0.000 0.452 647 A N 2.056 125.069 122.820 0.322 0.000 2.407 647 A HA 0.494 4.814 4.320 -0.001 0.000 0.248 647 A C 0.276 178.060 177.584 0.333 0.000 1.082 647 A CA -0.328 51.882 52.037 0.288 0.000 0.785 647 A CB -0.036 19.129 19.000 0.275 0.000 1.020 647 A HN 0.766 nan 8.150 nan 0.000 0.489 648 S N 1.955 117.787 115.700 0.219 0.000 2.652 648 S HA 0.535 5.004 4.470 -0.001 0.000 0.270 648 S C -0.324 174.378 174.600 0.171 0.000 1.243 648 S CA -0.871 57.446 58.200 0.194 0.000 0.999 648 S CB 0.725 63.995 63.200 0.117 0.000 0.973 648 S HN 0.696 nan 8.310 nan 0.000 0.544 649 N N 0.362 119.139 118.700 0.129 0.000 2.310 649 N HA 0.478 5.218 4.740 -0.001 0.000 0.292 649 N C -2.013 173.447 175.510 -0.083 0.000 1.049 649 N CA -0.527 52.558 53.050 0.058 0.000 0.849 649 N CB 2.037 40.649 38.487 0.207 0.000 1.532 649 N HN 0.576 nan 8.380 nan 0.000 0.479 650 L N 2.534 123.667 121.223 -0.150 0.000 2.376 650 L HA 0.501 4.840 4.340 -0.001 0.000 0.275 650 L C -1.485 175.242 176.870 -0.240 0.000 0.987 650 L CA -0.518 54.206 54.840 -0.194 0.000 0.828 650 L CB 1.496 43.495 42.059 -0.101 0.000 1.249 650 L HN 0.443 nan 8.230 nan 0.000 0.409 651 L N 6.651 127.692 121.223 -0.304 0.000 2.265 651 L HA 0.468 4.808 4.340 -0.001 0.000 0.289 651 L C -1.214 175.643 176.870 -0.020 0.000 1.033 651 L CA -0.453 54.272 54.840 -0.192 0.000 0.814 651 L CB 1.278 43.221 42.059 -0.194 0.000 1.203 651 L HN 0.683 nan 8.230 nan 0.000 0.423 652 L N 7.142 128.365 121.223 -0.001 0.000 2.262 652 L HA 0.572 4.912 4.340 -0.001 0.000 0.288 652 L C -0.184 176.726 176.870 0.067 0.000 1.035 652 L CA -0.471 54.395 54.840 0.044 0.000 0.820 652 L CB 0.982 43.058 42.059 0.029 0.000 1.204 652 L HN 0.635 nan 8.230 nan 0.000 0.424 653 R N 2.068 122.617 120.500 0.080 0.000 2.664 653 R HA 0.423 4.763 4.340 -0.001 0.000 0.260 653 R C -1.604 174.728 176.300 0.054 0.000 1.062 653 R CA -1.101 55.040 56.100 0.068 0.000 0.902 653 R CB 1.371 31.710 30.300 0.065 0.000 1.258 653 R HN 0.246 nan 8.270 nan 0.000 0.465 654 K N 1.441 121.864 120.400 0.038 0.000 2.258 654 K HA 0.067 4.387 4.320 -0.001 0.000 0.264 654 K C -0.049 176.551 176.600 -0.001 0.000 1.007 654 K CA -0.209 56.091 56.287 0.021 0.000 0.941 654 K CB 0.226 32.737 32.500 0.019 0.000 0.966 654 K HN 0.827 nan 8.250 nan 0.000 0.480 655 N N 0.678 119.367 118.700 -0.019 0.000 2.727 655 N HA -0.110 4.629 4.740 -0.001 0.000 0.251 655 N C -2.584 172.878 175.510 -0.080 0.000 1.040 655 N CA 0.080 53.101 53.050 -0.048 0.000 0.712 655 N CB -0.665 37.798 38.487 -0.039 0.000 0.912 655 N HN 0.396 nan 8.380 nan 0.000 0.545 656 P HA 0.319 nan 4.420 nan 0.000 0.276 656 P C -0.254 176.887 177.300 -0.265 0.000 1.252 656 P CA -0.150 62.854 63.100 -0.161 0.000 0.802 656 P CB 1.017 32.603 31.700 -0.190 0.000 1.035 657 T N -3.313 111.072 114.554 -0.281 0.000 2.907 657 T HA 0.508 4.858 4.350 -0.001 0.000 0.290 657 T C 0.244 174.756 174.700 -0.313 0.000 1.066 657 T CA -0.738 61.198 62.100 -0.274 0.000 1.012 657 T CB 0.638 69.408 68.868 -0.165 0.000 1.184 657 T HN 0.489 nan 8.240 nan 0.000 0.522 658 S N 0.431 116.003 115.700 -0.213 0.000 2.589 658 S HA 0.501 4.971 4.470 -0.001 0.000 0.265 658 S C -0.182 174.506 174.600 0.147 0.000 1.342 658 S CA -0.836 57.325 58.200 -0.064 0.000 1.005 658 S CB -0.247 62.940 63.200 -0.022 0.000 0.909 658 S HN 0.702 nan 8.310 nan 0.000 0.555 659 L N 1.754 123.172 121.223 0.324 0.000 2.470 659 L HA 0.371 4.710 4.340 -0.001 0.000 0.256 659 L C -2.422 174.557 176.870 0.182 0.000 1.357 659 L CA -1.518 53.491 54.840 0.282 0.000 0.902 659 L CB 1.611 43.917 42.059 0.411 0.000 1.121 659 L HN 0.581 nan 8.230 nan 0.000 0.507 660 P HA 0.202 nan 4.420 nan 0.000 0.274 660 P C -0.038 177.261 177.300 -0.003 0.000 1.231 660 P CA -0.185 62.951 63.100 0.060 0.000 0.790 660 P CB 1.788 33.511 31.700 0.039 0.000 0.951 661 L N 0.788 122.019 121.223 0.013 0.000 3.366 661 L HA 0.275 4.615 4.340 -0.001 0.000 0.304 661 L C 1.353 178.289 176.870 0.110 0.000 1.292 661 L CA -0.071 54.755 54.840 -0.023 0.000 1.012 661 L CB 0.076 42.102 42.059 -0.056 0.000 1.414 661 L HN 0.737 nan 8.230 nan 0.000 0.603 662 G N 1.085 109.929 108.800 0.075 0.000 2.611 662 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.301 662 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.301 662 G C 0.529 175.483 174.900 0.089 0.000 1.233 662 G CA 0.703 45.865 45.100 0.103 0.000 0.993 662 G HN 0.447 nan 8.290 nan 0.000 0.553 663 Q N -0.551 119.277 119.800 0.048 0.000 2.472 663 Q HA 0.139 4.478 4.340 -0.001 0.000 0.208 663 Q C 0.890 176.718 176.000 -0.287 0.000 0.958 663 Q CA 0.330 56.052 55.803 -0.135 0.000 0.932 663 Q CB 0.204 28.751 28.738 -0.317 0.000 1.007 663 Q HN 0.497 nan 8.270 nan 0.000 0.508 664 Y N 3.629 123.734 120.300 -0.325 0.000 2.802 664 Y HA -0.063 4.487 4.550 -0.001 0.000 0.333 664 Y C -1.459 174.299 175.900 -0.235 0.000 1.244 664 Y CA -1.431 56.466 58.100 -0.338 0.000 1.558 664 Y CB 0.801 39.218 38.460 -0.073 0.000 1.233 664 Y HN 0.064 nan 8.280 nan 0.000 0.547 665 P HA -0.053 nan 4.420 nan 0.000 0.245 665 P C -0.661 176.483 177.300 -0.260 0.000 1.212 665 P CA 0.695 63.533 63.100 -0.437 0.000 0.774 665 P CB 0.281 31.619 31.700 -0.604 0.000 0.999 666 E N 0.741 120.823 120.200 -0.197 0.000 2.165 666 E HA 0.241 4.590 4.350 -0.001 0.000 0.266 666 E C -0.891 175.829 176.600 0.200 0.000 0.889 666 E CA -0.816 55.609 56.400 0.041 0.000 0.756 666 E CB 0.639 30.401 29.700 0.103 0.000 1.131 666 E HN -0.213 nan 8.360 nan 0.000 0.411 667 D N 2.746 123.223 120.400 0.128 0.000 2.382 667 D HA 0.086 4.726 4.640 -0.001 0.000 0.245 667 D C -0.171 176.193 176.300 0.107 0.000 1.120 667 D CA -0.182 53.899 54.000 0.134 0.000 0.890 667 D CB 1.216 42.081 40.800 0.108 0.000 1.201 667 D HN 0.221 nan 8.370 nan 0.000 0.433 668 V N 3.638 123.599 119.914 0.079 0.000 2.673 668 V HA -0.039 4.080 4.120 -0.001 0.000 0.303 668 V C 0.869 176.774 176.094 -0.315 0.000 1.046 668 V CA 0.183 62.420 62.300 -0.104 0.000 1.126 668 V CB 0.244 31.986 31.823 -0.136 0.000 0.934 668 V HN 0.313 nan 8.190 nan 0.000 0.487 669 K N 3.758 123.926 120.400 -0.387 0.000 2.123 669 K HA 0.664 4.984 4.320 -0.001 0.000 0.248 669 K C -0.907 175.280 176.600 -0.688 0.000 0.969 669 K CA -0.355 55.727 56.287 -0.341 0.000 0.882 669 K CB 1.638 34.077 32.500 -0.101 0.000 1.080 669 K HN 0.421 nan 8.250 nan 0.000 0.441 670 F N -0.981 118.981 119.950 0.021 0.000 2.577 670 F HA 0.676 5.202 4.527 -0.001 0.000 0.318 670 F C 0.622 176.427 175.800 0.008 0.000 1.065 670 F CA -0.684 57.320 58.000 0.006 0.000 0.929 670 F CB 2.688 41.690 39.000 0.003 0.000 1.237 670 F HN 0.595 nan 8.300 nan 0.000 0.468 671 G N 0.389 109.298 108.800 0.182 0.000 2.646 671 G HA2 0.413 4.373 3.960 -0.001 0.000 0.291 671 G HA3 0.413 4.373 3.960 -0.001 0.000 0.291 671 G C -2.102 172.851 174.900 0.089 0.000 1.445 671 G CA -0.852 44.313 45.100 0.108 0.000 0.814 671 G HN 0.375 nan 8.290 nan 0.000 0.495 672 D N 0.768 121.207 120.400 0.065 0.000 2.368 672 D HA 0.362 5.002 4.640 -0.001 0.000 0.240 672 D C -1.988 174.343 176.300 0.051 0.000 1.169 672 D CA -0.587 53.445 54.000 0.053 0.000 0.906 672 D CB 0.796 41.621 40.800 0.042 0.000 1.187 672 D HN 0.014 nan 8.370 nan 0.000 0.435 673 P HA 0.060 nan 4.420 nan 0.000 0.264 673 P C -0.441 176.887 177.300 0.048 0.000 1.183 673 P CA 0.441 63.572 63.100 0.051 0.000 0.763 673 P CB 0.389 32.122 31.700 0.054 0.000 0.807 674 R N 0.457 120.988 120.500 0.051 0.000 2.690 674 R HA 0.412 4.751 4.340 -0.001 0.000 0.269 674 R C -1.149 175.188 176.300 0.063 0.000 1.037 674 R CA -1.012 55.118 56.100 0.049 0.000 0.877 674 R CB 1.121 31.446 30.300 0.042 0.000 1.255 674 R HN 0.237 nan 8.270 nan 0.000 0.467 675 E N 1.613 121.850 120.200 0.061 0.000 2.398 675 E HA 0.254 4.603 4.350 -0.001 0.000 0.263 675 E C -0.001 176.653 176.600 0.089 0.000 1.046 675 E CA 0.035 56.484 56.400 0.081 0.000 0.908 675 E CB 0.811 30.541 29.700 0.049 0.000 0.963 675 E HN 0.452 nan 8.360 nan 0.000 0.431 676 I N -1.946 118.712 120.570 0.146 0.000 3.095 676 I HA 0.577 4.747 4.170 -0.001 0.000 0.310 676 I C -0.763 175.491 176.117 0.229 0.000 1.196 676 I CA -0.815 60.570 61.300 0.142 0.000 0.985 676 I CB 2.358 40.419 38.000 0.101 0.000 1.250 676 I HN 0.325 nan 8.210 nan 0.000 0.446 677 S N 3.534 119.342 115.700 0.180 0.000 2.548 677 S HA 0.883 5.353 4.470 -0.001 0.000 0.286 677 S C -1.364 173.354 174.600 0.196 0.000 1.098 677 S CA -0.559 57.764 58.200 0.205 0.000 0.930 677 S CB 1.404 64.666 63.200 0.104 0.000 1.070 677 S HN 0.740 nan 8.310 nan 0.000 0.480 678 L N 2.742 124.110 121.223 0.242 0.000 2.434 678 L HA 0.695 5.035 4.340 -0.001 0.000 0.260 678 L C -0.460 176.509 176.870 0.165 0.000 0.983 678 L CA -0.746 54.209 54.840 0.192 0.000 0.820 678 L CB 2.493 44.680 42.059 0.213 0.000 1.361 678 L HN 0.750 nan 8.230 nan 0.000 0.410 679 R N 1.609 122.182 120.500 0.122 0.000 2.533 679 R HA 0.676 5.016 4.340 -0.001 0.000 0.288 679 R C -1.990 174.362 176.300 0.085 0.000 1.039 679 R CA -0.480 55.680 56.100 0.100 0.000 0.909 679 R CB 2.328 32.678 30.300 0.084 0.000 1.195 679 R HN 0.405 nan 8.270 nan 0.000 0.438 680 V N 4.462 124.425 119.914 0.081 0.000 2.483 680 V HA 0.581 4.701 4.120 -0.001 0.000 0.295 680 V C 1.062 177.190 176.094 0.058 0.000 1.035 680 V CA 0.627 62.969 62.300 0.070 0.000 0.896 680 V CB 1.160 33.027 31.823 0.072 0.000 0.986 680 V HN 1.115 nan 8.190 nan 0.000 0.447 681 G N 4.884 113.715 108.800 0.052 0.000 2.596 681 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.295 681 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.295 681 G C 0.470 175.393 174.900 0.039 0.000 1.240 681 G CA 0.535 45.661 45.100 0.044 0.000 0.985 681 G HN 0.695 nan 8.290 nan 0.000 0.555 682 N N 2.365 121.084 118.700 0.032 0.000 2.268 682 N HA 0.226 4.966 4.740 -0.001 0.000 0.204 682 N C 1.151 176.675 175.510 0.022 0.000 1.124 682 N CA 0.912 53.977 53.050 0.025 0.000 0.838 682 N CB 0.432 38.930 38.487 0.018 0.000 0.994 682 N HN 0.818 nan 8.380 nan 0.000 0.489 683 G N 1.781 110.599 108.800 0.030 0.000 2.535 683 G HA2 0.246 4.205 3.960 -0.001 0.000 0.282 683 G HA3 0.246 4.205 3.960 -0.001 0.000 0.282 683 G C -2.365 172.552 174.900 0.028 0.000 1.350 683 G CA -0.737 44.380 45.100 0.030 0.000 1.039 683 G HN -0.014 nan 8.290 nan 0.000 0.509 684 P HA 0.170 nan 4.420 nan 0.000 0.272 684 P C -0.445 176.882 177.300 0.046 0.000 1.230 684 P CA 0.087 63.200 63.100 0.023 0.000 0.788 684 P CB 0.699 32.410 31.700 0.017 0.000 0.949 685 T N 2.510 117.092 114.554 0.046 0.000 2.749 685 T HA 0.441 4.791 4.350 -0.001 0.000 0.287 685 T C 0.045 174.795 174.700 0.083 0.000 0.970 685 T CA -0.365 61.788 62.100 0.088 0.000 0.980 685 T CB 0.095 69.034 68.868 0.119 0.000 0.924 685 T HN 0.177 nan 8.240 nan 0.000 0.456 686 L N 2.756 124.028 121.223 0.081 0.000 2.322 686 L HA 0.756 5.095 4.340 -0.001 0.000 0.281 686 L C 0.203 177.012 176.870 -0.103 0.000 1.014 686 L CA -1.149 53.655 54.840 -0.060 0.000 0.815 686 L CB 1.531 43.539 42.059 -0.086 0.000 1.247 686 L HN 0.645 nan 8.230 nan 0.000 0.421 687 A N 3.374 126.041 122.820 -0.255 0.000 2.324 687 A HA 0.853 5.173 4.320 -0.001 0.000 0.330 687 A C -1.176 176.161 177.584 -0.412 0.000 1.165 687 A CA -0.302 51.629 52.037 -0.176 0.000 0.813 687 A CB 0.753 19.677 19.000 -0.127 0.000 1.197 687 A HN 0.509 nan 8.150 nan 0.000 0.484 688 F N 0.941 120.924 119.950 0.054 0.000 2.546 688 F HA 0.511 5.038 4.527 -0.001 0.000 0.320 688 F C 1.121 176.958 175.800 0.060 0.000 1.076 688 F CA -0.285 57.766 58.000 0.084 0.000 0.928 688 F CB 2.160 41.215 39.000 0.093 0.000 1.189 688 F HN 0.684 nan 8.300 nan 0.000 0.465 689 S N 0.253 116.098 115.700 0.241 0.000 2.596 689 S HA 0.066 4.535 4.470 -0.001 0.000 0.260 689 S C 1.046 175.746 174.600 0.166 0.000 1.336 689 S CA -0.032 58.260 58.200 0.152 0.000 0.993 689 S CB 0.646 63.932 63.200 0.142 0.000 0.923 689 S HN 0.852 nan 8.310 nan 0.000 0.567 690 E N -0.103 120.161 120.200 0.108 0.000 2.409 690 E HA -0.183 4.166 4.350 -0.001 0.000 0.198 690 E C 1.340 178.001 176.600 0.102 0.000 1.024 690 E CA 0.911 57.368 56.400 0.094 0.000 0.861 690 E CB -0.411 29.329 29.700 0.067 0.000 0.788 690 E HN 0.773 nan 8.360 nan 0.000 0.521 691 Q N 0.119 119.993 119.800 0.124 0.000 2.365 691 Q HA 0.182 4.522 4.340 -0.001 0.000 0.203 691 Q C 0.813 176.904 176.000 0.151 0.000 0.929 691 Q CA 0.486 56.363 55.803 0.123 0.000 0.948 691 Q CB 0.774 29.588 28.738 0.126 0.000 1.043 691 Q HN 0.508 nan 8.270 nan 0.000 0.505 692 G N 0.338 109.248 108.800 0.184 0.000 2.136 692 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.242 692 G C -0.318 174.809 174.900 0.378 0.000 0.989 692 G CA -0.159 45.058 45.100 0.195 0.000 0.682 692 G HN 0.252 nan 8.290 nan 0.000 0.522 693 L N -0.175 121.314 121.223 0.443 0.000 2.329 693 L HA 0.688 5.028 4.340 -0.001 0.000 0.279 693 L C 0.735 177.913 176.870 0.513 0.000 1.014 693 L CA -1.344 53.806 54.840 0.517 0.000 0.814 693 L CB 1.632 43.910 42.059 0.365 0.000 1.257 693 L HN 0.131 nan 8.230 nan 0.000 0.424 694 L N 3.477 124.986 121.223 0.476 0.000 2.559 694 L HA -0.047 4.293 4.340 -0.001 0.000 0.282 694 L C 1.093 178.042 176.870 0.131 0.000 1.232 694 L CA 0.937 55.795 54.840 0.031 0.000 0.885 694 L CB 0.146 42.258 42.059 0.089 0.000 1.131 694 L HN 0.826 nan 8.230 nan 0.000 0.498 695 K N 1.394 121.752 120.400 -0.070 0.000 2.474 695 K HA 0.308 4.628 4.320 -0.001 0.000 0.202 695 K C -0.079 176.446 176.600 -0.124 0.000 1.248 695 K CA 0.345 56.595 56.287 -0.062 0.000 0.946 695 K CB 0.433 32.859 32.500 -0.124 0.000 1.102 695 K HN 0.607 nan 8.250 nan 0.000 0.541 696 S N 0.359 115.964 115.700 -0.159 0.000 2.565 696 S HA 0.578 5.047 4.470 -0.001 0.000 0.269 696 S C -1.066 173.476 174.600 -0.096 0.000 1.153 696 S CA -1.015 57.121 58.200 -0.107 0.000 0.835 696 S CB 1.318 64.488 63.200 -0.049 0.000 1.122 696 S HN 0.183 nan 8.310 nan 0.000 0.462 697 I N 1.544 122.083 120.570 -0.052 0.000 2.436 697 I HA 0.456 4.625 4.170 -0.001 0.000 0.289 697 I C -0.444 175.668 176.117 -0.010 0.000 1.010 697 I CA -0.413 60.867 61.300 -0.034 0.000 1.098 697 I CB 2.084 40.050 38.000 -0.056 0.000 1.266 697 I HN 0.736 nan 8.210 nan 0.000 0.434 698 Q N 6.066 125.861 119.800 -0.008 0.000 2.368 698 Q HA 0.410 4.749 4.340 -0.001 0.000 0.263 698 Q C -0.039 175.913 176.000 -0.080 0.000 1.009 698 Q CA -0.511 55.221 55.803 -0.117 0.000 0.818 698 Q CB 1.605 30.155 28.738 -0.313 0.000 1.239 698 Q HN 0.777 nan 8.270 nan 0.000 0.464 699 L N 2.121 123.299 121.223 -0.074 0.000 2.109 699 L HA 0.011 4.351 4.340 -0.001 0.000 0.207 699 L C 1.178 178.020 176.870 -0.045 0.000 1.086 699 L CA 1.153 55.965 54.840 -0.048 0.000 0.760 699 L CB -0.193 41.839 42.059 -0.044 0.000 0.910 699 L HN 0.674 nan 8.230 nan 0.000 0.437 700 T N -6.050 108.466 114.554 -0.064 0.000 2.887 700 T HA 0.216 4.566 4.350 -0.001 0.000 0.292 700 T C 0.501 175.162 174.700 -0.065 0.000 1.087 700 T CA -0.830 61.240 62.100 -0.049 0.000 1.009 700 T CB 1.774 70.619 68.868 -0.039 0.000 1.203 700 T HN -0.054 nan 8.240 nan 0.000 0.518 701 Q N 0.632 120.407 119.800 -0.041 0.000 2.135 701 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 701 Q C 1.768 177.734 176.000 -0.056 0.000 0.981 701 Q CA 2.217 57.997 55.803 -0.039 0.000 0.856 701 Q CB -0.202 28.528 28.738 -0.013 0.000 0.902 701 Q HN 0.858 nan 8.270 nan 0.000 0.425 702 D N 0.453 120.824 120.400 -0.048 0.000 2.194 702 D HA -0.076 4.563 4.640 -0.001 0.000 0.204 702 D C 1.046 177.306 176.300 -0.067 0.000 0.964 702 D CA 0.588 54.561 54.000 -0.045 0.000 0.846 702 D CB -0.225 40.556 40.800 -0.031 0.000 0.962 702 D HN 0.068 nan 8.370 nan 0.000 0.490 703 S N 1.057 116.705 115.700 -0.088 0.000 2.600 703 S HA 0.349 4.819 4.470 -0.001 0.000 0.265 703 S C -2.559 171.949 174.600 -0.153 0.000 1.325 703 S CA -1.186 56.956 58.200 -0.096 0.000 1.002 703 S CB 0.767 63.917 63.200 -0.083 0.000 0.921 703 S HN -0.107 nan 8.310 nan 0.000 0.554 704 P HA 0.173 nan 4.420 nan 0.000 0.272 704 P C -0.564 176.644 177.300 -0.153 0.000 1.223 704 P CA -0.163 62.878 63.100 -0.099 0.000 0.784 704 P CB 0.152 31.838 31.700 -0.023 0.000 0.923 705 H N 0.770 119.831 119.070 -0.015 0.000 3.089 705 H HA 0.131 4.687 4.556 -0.001 0.000 0.262 705 H C -0.126 175.177 175.328 -0.041 0.000 1.160 705 H CA -0.179 55.850 56.048 -0.031 0.000 1.482 705 H CB -0.128 29.615 29.762 -0.031 0.000 1.511 705 H HN 0.104 nan 8.280 nan 0.000 0.483 706 V N 7.311 127.239 119.914 0.022 0.000 2.455 706 V HA 0.078 4.198 4.120 -0.001 0.000 0.273 706 V C -1.874 174.175 176.094 -0.074 0.000 1.045 706 V CA -1.619 60.669 62.300 -0.020 0.000 0.976 706 V CB 0.885 32.687 31.823 -0.035 0.000 0.993 706 V HN 0.559 nan 8.190 nan 0.000 0.475 707 P HA 0.170 nan 4.420 nan 0.000 0.266 707 P C -0.794 176.370 177.300 -0.226 0.000 1.215 707 P CA 0.201 63.157 63.100 -0.240 0.000 0.763 707 P CB 0.511 31.907 31.700 -0.505 0.000 0.806 708 V N 4.224 124.033 119.914 -0.175 0.000 2.498 708 V HA 0.198 4.317 4.120 -0.001 0.000 0.283 708 V C -0.727 175.277 176.094 -0.151 0.000 1.015 708 V CA -0.437 61.747 62.300 -0.194 0.000 0.867 708 V CB 0.996 32.693 31.823 -0.210 0.000 1.025 708 V HN 0.542 nan 8.190 nan 0.000 0.441 709 H N 4.255 123.169 119.070 -0.260 0.000 2.481 709 H HA 0.615 5.170 4.556 -0.001 0.000 0.333 709 H C -1.098 174.109 175.328 -0.203 0.000 1.066 709 H CA -1.074 54.865 56.048 -0.183 0.000 1.209 709 H CB 1.045 30.737 29.762 -0.117 0.000 1.445 709 H HN 0.450 nan 8.280 nan 0.000 0.488 710 F N 4.173 123.873 119.950 -0.416 0.000 2.399 710 F HA 0.315 4.842 4.527 -0.001 0.000 0.342 710 F C 0.530 175.829 175.800 -0.834 0.000 1.106 710 F CA -0.096 57.592 58.000 -0.520 0.000 1.196 710 F CB 0.835 39.662 39.000 -0.288 0.000 1.163 710 F HN 0.373 nan 8.300 nan 0.000 0.547 711 K N 3.643 123.783 120.400 -0.433 0.000 2.523 711 K HA 0.446 4.766 4.320 -0.001 0.000 0.257 711 K C -1.937 174.394 176.600 -0.449 0.000 0.932 711 K CA -0.622 55.445 56.287 -0.367 0.000 0.812 711 K CB 1.398 33.736 32.500 -0.269 0.000 1.326 711 K HN 0.416 nan 8.250 nan 0.000 0.433 712 F N 4.124 123.988 119.950 -0.143 0.000 2.436 712 F HA 0.490 5.017 4.527 -0.001 0.000 0.340 712 F C -0.358 175.391 175.800 -0.086 0.000 1.113 712 F CA -0.588 57.342 58.000 -0.115 0.000 1.022 712 F CB 1.132 40.051 39.000 -0.136 0.000 1.128 712 F HN 0.232 nan 8.300 nan 0.000 0.466 713 L N 2.895 124.149 121.223 0.053 0.000 2.277 713 L HA 0.635 4.975 4.340 -0.001 0.000 0.254 713 L C -1.038 175.815 176.870 -0.029 0.000 1.044 713 L CA -1.012 53.811 54.840 -0.028 0.000 0.842 713 L CB 2.221 44.202 42.059 -0.130 0.000 1.422 713 L HN 0.485 nan 8.230 nan 0.000 0.422 714 K N -0.267 120.078 120.400 -0.092 0.000 2.427 714 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 714 K C -1.797 174.728 176.600 -0.125 0.000 0.931 714 K CA -0.775 55.492 56.287 -0.033 0.000 0.793 714 K CB 1.742 34.255 32.500 0.023 0.000 1.211 714 K HN 0.309 nan 8.250 nan 0.000 0.426 715 Y N 0.604 120.959 120.300 0.093 0.000 2.376 715 Y HA 0.508 5.058 4.550 -0.001 0.000 0.325 715 Y C 1.040 176.991 175.900 0.086 0.000 1.199 715 Y CA -0.032 58.134 58.100 0.110 0.000 1.206 715 Y CB 2.151 40.744 38.460 0.222 0.000 1.229 715 Y HN 0.920 nan 8.280 nan 0.000 0.480 716 G N 0.466 109.404 108.800 0.230 0.000 3.107 716 G HA2 0.639 4.598 3.960 -0.001 0.000 0.232 716 G HA3 0.639 4.598 3.960 -0.001 0.000 0.232 716 G C -1.466 173.501 174.900 0.111 0.000 1.339 716 G CA -0.728 44.452 45.100 0.134 0.000 1.033 716 G HN 0.433 nan 8.290 nan 0.000 0.567 717 V N -0.156 119.791 119.914 0.054 0.000 2.864 717 V HA 0.482 4.601 4.120 -0.001 0.000 0.314 717 V C -0.104 175.973 176.094 -0.027 0.000 1.073 717 V CA -0.866 61.445 62.300 0.017 0.000 0.956 717 V CB 1.970 33.809 31.823 0.026 0.000 1.023 717 V HN 0.671 nan 8.190 nan 0.000 0.435 718 R N 1.240 121.697 120.500 -0.072 0.000 2.543 718 R HA 0.247 4.587 4.340 -0.001 0.000 0.277 718 R C 1.073 177.303 176.300 -0.116 0.000 1.074 718 R CA 0.384 56.396 56.100 -0.146 0.000 1.076 718 R CB 0.695 30.863 30.300 -0.219 0.000 0.993 718 R HN 0.904 nan 8.270 nan 0.000 0.459 719 S N 1.182 116.805 115.700 -0.128 0.000 2.503 719 S HA -0.010 4.460 4.470 -0.001 0.000 0.217 719 S C 0.461 175.087 174.600 0.043 0.000 0.999 719 S CA -0.210 57.980 58.200 -0.016 0.000 0.914 719 S CB -0.060 63.162 63.200 0.037 0.000 0.782 719 S HN 0.749 nan 8.310 nan 0.000 0.520 720 H N -0.550 118.520 119.070 0.000 0.000 2.572 720 H HA 0.672 5.227 4.556 -0.001 0.000 0.359 720 H C 0.660 175.984 175.328 -0.006 0.000 1.134 720 H CA -0.433 55.613 56.048 -0.003 0.000 1.187 720 H CB 1.099 30.859 29.762 -0.003 0.000 1.597 720 H HN 0.405 nan 8.280 nan 0.000 0.524 721 G N 2.245 111.099 108.800 0.090 0.000 2.568 721 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.222 721 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.222 721 G C -1.121 173.770 174.900 -0.015 0.000 1.321 721 G CA -0.277 44.843 45.100 0.032 0.000 0.893 721 G HN 0.741 nan 8.290 nan 0.000 0.569 722 D N 0.954 121.336 120.400 -0.029 0.000 2.345 722 D HA 0.581 5.220 4.640 -0.001 0.000 0.247 722 D C 0.875 177.147 176.300 -0.047 0.000 1.108 722 D CA 0.187 54.166 54.000 -0.035 0.000 0.894 722 D CB 1.009 41.785 40.800 -0.039 0.000 1.203 722 D HN 0.450 nan 8.370 nan 0.000 0.430 723 R N 0.419 120.897 120.500 -0.036 0.000 2.474 723 R HA 0.344 4.684 4.340 -0.001 0.000 0.295 723 R C -0.032 176.254 176.300 -0.023 0.000 0.980 723 R CA -0.482 55.601 56.100 -0.028 0.000 0.934 723 R CB 1.113 31.406 30.300 -0.012 0.000 1.101 723 R HN 0.231 nan 8.270 nan 0.000 0.469 724 S N 0.520 116.215 115.700 -0.007 0.000 2.563 724 S HA 0.445 4.915 4.470 -0.001 0.000 0.284 724 S C 0.416 175.030 174.600 0.024 0.000 1.331 724 S CA 0.398 58.611 58.200 0.021 0.000 1.047 724 S CB 0.922 64.166 63.200 0.075 0.000 0.859 724 S HN 0.752 nan 8.310 nan 0.000 0.514 725 G N 0.015 108.831 108.800 0.026 0.000 2.846 725 G HA2 0.585 4.545 3.960 -0.001 0.000 0.299 725 G HA3 0.585 4.545 3.960 -0.001 0.000 0.299 725 G C 0.544 175.464 174.900 0.034 0.000 1.242 725 G CA -0.099 45.025 45.100 0.040 0.000 0.800 725 G HN 0.704 nan 8.290 nan 0.000 0.538 726 A N -1.243 121.589 122.820 0.020 0.000 1.972 726 A HA 0.098 4.417 4.320 -0.001 0.000 0.219 726 A C 1.933 179.439 177.584 -0.130 0.000 1.169 726 A CA 1.966 53.960 52.037 -0.071 0.000 0.635 726 A CB -0.626 18.263 19.000 -0.184 0.000 0.810 726 A HN 0.581 nan 8.150 nan 0.000 0.446 727 Y N -0.716 119.522 120.300 -0.103 0.000 2.266 727 Y HA 0.330 4.879 4.550 -0.001 0.000 0.294 727 Y C 0.922 176.707 175.900 -0.191 0.000 1.127 727 Y CA 0.111 58.077 58.100 -0.223 0.000 1.140 727 Y CB -0.182 37.801 38.460 -0.795 0.000 1.071 727 Y HN 0.022 nan 8.280 nan 0.000 0.525 728 L N 0.433 121.605 121.223 -0.085 0.000 2.334 728 L HA 0.224 4.564 4.340 -0.001 0.000 0.277 728 L C -0.949 175.962 176.870 0.069 0.000 1.075 728 L CA -0.396 54.393 54.840 -0.085 0.000 0.804 728 L CB 1.234 43.191 42.059 -0.170 0.000 1.174 728 L HN 0.108 nan 8.230 nan 0.000 0.438 729 F N 4.780 124.665 119.950 -0.109 0.000 2.361 729 F HA 0.472 4.998 4.527 -0.001 0.000 0.364 729 F C -0.607 175.108 175.800 -0.143 0.000 1.117 729 F CA -0.749 57.148 58.000 -0.171 0.000 1.071 729 F CB 0.682 39.513 39.000 -0.282 0.000 1.188 729 F HN 0.314 nan 8.300 nan 0.000 0.464 730 L N 8.986 130.088 121.223 -0.202 0.000 2.529 730 L HA 0.334 4.673 4.340 -0.001 0.000 0.246 730 L C -2.333 174.349 176.870 -0.313 0.000 1.394 730 L CA -1.858 52.817 54.840 -0.275 0.000 0.906 730 L CB 0.958 42.945 42.059 -0.120 0.000 1.170 730 L HN 0.417 nan 8.230 nan 0.000 0.501 731 P HA 0.047 nan 4.420 nan 0.000 0.272 731 P C -0.519 176.690 177.300 -0.152 0.000 1.223 731 P CA -0.323 62.590 63.100 -0.313 0.000 0.784 731 P CB 0.585 31.990 31.700 -0.492 0.000 0.923 732 N N 0.976 119.655 118.700 -0.036 0.000 3.250 732 N HA 0.264 5.004 4.740 -0.001 0.000 0.307 732 N C 0.663 176.175 175.510 0.003 0.000 1.355 732 N CA -0.133 52.892 53.050 -0.041 0.000 1.192 732 N CB -0.889 37.579 38.487 -0.032 0.000 1.478 732 N HN 0.744 nan 8.380 nan 0.000 0.543 733 G N 0.875 109.676 108.800 0.002 0.000 2.655 733 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.680 733 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.680 733 G C -3.062 171.909 174.900 0.117 0.000 1.302 733 G CA -1.079 44.042 45.100 0.034 0.000 0.872 733 G HN 0.383 nan 8.290 nan 0.000 0.540 734 P HA 0.463 nan 4.420 nan 0.000 0.270 734 P C 0.499 177.760 177.300 -0.066 0.000 1.227 734 P CA 0.603 63.766 63.100 0.104 0.000 0.788 734 P CB 0.334 32.061 31.700 0.046 0.000 0.926 735 A N 1.651 124.250 122.820 -0.368 0.000 2.425 735 A HA 0.386 4.706 4.320 -0.001 0.000 0.242 735 A C 0.174 177.602 177.584 -0.259 0.000 1.077 735 A CA 0.237 51.893 52.037 -0.635 0.000 0.781 735 A CB -0.284 18.065 19.000 -1.085 0.000 1.020 735 A HN 0.466 nan 8.150 nan 0.000 0.494 736 S N 2.428 118.012 115.700 -0.192 0.000 2.475 736 S HA 0.564 5.033 4.470 -0.001 0.000 0.298 736 S C -2.660 171.897 174.600 -0.072 0.000 1.119 736 S CA -0.978 57.167 58.200 -0.092 0.000 1.085 736 S CB 1.256 64.425 63.200 -0.051 0.000 1.028 736 S HN 0.560 nan 8.310 nan 0.000 0.489 737 P HA 0.086 nan 4.420 nan 0.000 0.268 737 P C -0.703 176.598 177.300 0.002 0.000 1.205 737 P CA -0.322 62.770 63.100 -0.013 0.000 0.771 737 P CB 0.300 32.003 31.700 0.006 0.000 0.858 738 V N 2.929 122.857 119.914 0.024 0.000 2.529 738 V HA -0.046 4.073 4.120 -0.001 0.000 0.292 738 V C 0.979 177.084 176.094 0.019 0.000 1.028 738 V CA 0.236 62.549 62.300 0.023 0.000 1.074 738 V CB -0.136 31.708 31.823 0.035 0.000 0.958 738 V HN 0.541 nan 8.190 nan 0.000 0.481 739 E N 4.690 124.896 120.200 0.010 0.000 2.328 739 E HA 0.059 4.408 4.350 -0.001 0.000 0.265 739 E C 0.435 177.039 176.600 0.008 0.000 1.057 739 E CA 0.410 56.818 56.400 0.013 0.000 0.916 739 E CB 0.376 30.082 29.700 0.010 0.000 0.993 739 E HN 0.594 nan 8.360 nan 0.000 0.446 740 L N 4.093 125.327 121.223 0.018 0.000 2.529 740 L HA 0.276 4.616 4.340 -0.001 0.000 0.223 740 L C 1.485 178.365 176.870 0.017 0.000 1.113 740 L CA 0.211 55.057 54.840 0.011 0.000 0.861 740 L CB -0.874 41.202 42.059 0.028 0.000 1.012 740 L HN 0.902 nan 8.230 nan 0.000 0.461 741 G N 1.111 109.925 108.800 0.024 0.000 2.566 741 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.280 741 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.280 741 G C 0.064 174.987 174.900 0.038 0.000 1.225 741 G CA 0.365 45.483 45.100 0.031 0.000 0.966 741 G HN 0.383 nan 8.290 nan 0.000 0.560 742 Q N 1.528 121.355 119.800 0.044 0.000 2.700 742 Q HA 0.505 4.844 4.340 -0.001 0.000 0.249 742 Q C -2.172 173.866 176.000 0.063 0.000 1.033 742 Q CA -1.557 54.277 55.803 0.051 0.000 0.804 742 Q CB 1.157 29.924 28.738 0.048 0.000 1.164 742 Q HN 0.634 nan 8.270 nan 0.000 0.500 743 P HA 0.067 nan 4.420 nan 0.000 0.274 743 P C -0.544 176.823 177.300 0.112 0.000 1.237 743 P CA -0.318 62.830 63.100 0.080 0.000 0.793 743 P CB 1.178 32.904 31.700 0.044 0.000 0.977 744 V N 2.172 122.192 119.914 0.176 0.000 2.530 744 V HA 0.143 4.263 4.120 -0.001 0.000 0.282 744 V C 0.514 176.765 176.094 0.262 0.000 1.048 744 V CA -0.229 62.199 62.300 0.213 0.000 0.997 744 V CB 1.254 33.245 31.823 0.280 0.000 0.987 744 V HN 0.264 nan 8.190 nan 0.000 0.477 745 V N 6.226 126.237 119.914 0.163 0.000 2.540 745 V HA 0.482 4.602 4.120 -0.001 0.000 0.302 745 V C -0.483 175.639 176.094 0.046 0.000 1.035 745 V CA -0.636 61.737 62.300 0.122 0.000 0.873 745 V CB 1.724 33.578 31.823 0.051 0.000 0.992 745 V HN 0.667 nan 8.190 nan 0.000 0.428 746 L N 6.560 127.808 121.223 0.042 0.000 2.325 746 L HA 0.730 5.070 4.340 -0.001 0.000 0.281 746 L C -0.656 176.109 176.870 -0.174 0.000 1.004 746 L CA -0.027 54.716 54.840 -0.161 0.000 0.823 746 L CB 1.773 43.645 42.059 -0.311 0.000 1.236 746 L HN 0.440 nan 8.230 nan 0.000 0.415 747 V N 4.146 123.947 119.914 -0.189 0.000 2.384 747 V HA 0.542 4.661 4.120 -0.001 0.000 0.287 747 V C 0.025 176.054 176.094 -0.108 0.000 1.020 747 V CA -0.388 61.821 62.300 -0.151 0.000 0.850 747 V CB 1.519 33.269 31.823 -0.122 0.000 0.987 747 V HN 0.841 nan 8.190 nan 0.000 0.436 748 T N 5.428 119.946 114.554 -0.060 0.000 2.779 748 T HA 0.435 4.784 4.350 -0.001 0.000 0.280 748 T C -0.380 174.351 174.700 0.053 0.000 0.987 748 T CA -0.557 61.564 62.100 0.035 0.000 0.966 748 T CB 1.128 70.057 68.868 0.102 0.000 0.933 748 T HN 0.652 nan 8.240 nan 0.000 0.442 749 K N 2.448 122.896 120.400 0.080 0.000 2.450 749 K HA 0.672 4.992 4.320 -0.001 0.000 0.257 749 K C -0.403 176.258 176.600 0.102 0.000 0.953 749 K CA -0.580 55.753 56.287 0.077 0.000 0.844 749 K CB 1.001 33.539 32.500 0.064 0.000 1.103 749 K HN 0.793 nan 8.250 nan 0.000 0.429 750 G N 2.205 111.062 108.800 0.096 0.000 2.658 750 G HA2 0.171 4.130 3.960 -0.001 0.000 0.292 750 G HA3 0.171 4.130 3.960 -0.001 0.000 0.292 750 G C -0.144 174.803 174.900 0.079 0.000 1.320 750 G CA -0.626 44.532 45.100 0.097 0.000 0.933 750 G HN 0.660 nan 8.290 nan 0.000 0.476 751 K N -0.324 120.118 120.400 0.070 0.000 2.097 751 K HA 0.079 4.399 4.320 -0.001 0.000 0.206 751 K C 1.713 178.351 176.600 0.062 0.000 1.049 751 K CA 1.178 57.502 56.287 0.062 0.000 0.933 751 K CB -0.144 32.388 32.500 0.054 0.000 0.717 751 K HN 0.435 nan 8.250 nan 0.000 0.442 752 L N -0.876 120.386 121.223 0.065 0.000 2.425 752 L HA 0.207 4.547 4.340 -0.001 0.000 0.215 752 L C 0.541 177.449 176.870 0.063 0.000 1.065 752 L CA 0.047 54.925 54.840 0.064 0.000 0.842 752 L CB 0.422 42.522 42.059 0.068 0.000 1.033 752 L HN 0.151 nan 8.230 nan 0.000 0.474 753 E N -0.195 120.047 120.200 0.070 0.000 2.291 753 E HA 0.389 4.739 4.350 -0.001 0.000 0.276 753 E C -1.471 175.177 176.600 0.080 0.000 0.896 753 E CA -0.197 56.246 56.400 0.071 0.000 0.774 753 E CB 2.121 31.863 29.700 0.069 0.000 1.227 753 E HN -0.119 nan 8.360 nan 0.000 0.413 754 S N 1.266 117.010 115.700 0.074 0.000 2.638 754 S HA 0.795 5.265 4.470 -0.001 0.000 0.302 754 S C -1.246 173.382 174.600 0.046 0.000 1.096 754 S CA -0.669 57.570 58.200 0.065 0.000 0.953 754 S CB 1.784 65.024 63.200 0.067 0.000 1.107 754 S HN 0.625 nan 8.310 nan 0.000 0.503 755 S N -0.252 115.451 115.700 0.005 0.000 2.565 755 S HA 0.723 5.192 4.470 -0.001 0.000 0.269 755 S C -1.703 172.805 174.600 -0.154 0.000 1.153 755 S CA -0.764 57.411 58.200 -0.041 0.000 0.835 755 S CB 1.025 64.224 63.200 -0.002 0.000 1.122 755 S HN 0.451 nan 8.310 nan 0.000 0.462 756 V N 1.792 121.550 119.914 -0.260 0.000 2.444 756 V HA 0.730 4.850 4.120 -0.001 0.000 0.294 756 V C -0.484 175.477 176.094 -0.222 0.000 1.022 756 V CA -0.376 61.700 62.300 -0.373 0.000 0.850 756 V CB 1.513 32.796 31.823 -0.900 0.000 0.992 756 V HN 0.983 nan 8.190 nan 0.000 0.426 757 S N 3.235 118.863 115.700 -0.120 0.000 2.513 757 S HA 0.793 5.262 4.470 -0.001 0.000 0.299 757 S C -0.834 173.705 174.600 -0.101 0.000 1.087 757 S CA -0.624 57.513 58.200 -0.105 0.000 1.012 757 S CB 2.154 65.399 63.200 0.073 0.000 1.044 757 S HN 0.661 nan 8.310 nan 0.000 0.485 758 V N 2.053 121.781 119.914 -0.310 0.000 2.760 758 V HA 0.798 4.918 4.120 -0.001 0.000 0.309 758 V C -0.050 175.687 176.094 -0.596 0.000 1.077 758 V CA -0.434 61.703 62.300 -0.271 0.000 0.910 758 V CB 1.778 33.575 31.823 -0.043 0.000 1.008 758 V HN 0.992 nan 8.190 nan 0.000 0.424 759 G N 7.054 115.518 108.800 -0.561 0.000 2.639 759 G HA2 0.518 4.478 3.960 -0.001 0.000 0.312 759 G HA3 0.518 4.478 3.960 -0.001 0.000 0.312 759 G C -0.483 174.295 174.900 -0.204 0.000 0.911 759 G CA -0.316 44.512 45.100 -0.453 0.000 1.410 759 G HN 0.705 nan 8.290 nan 0.000 0.469 760 L N 2.674 123.732 121.223 -0.276 0.000 2.416 760 L HA 0.392 4.732 4.340 -0.001 0.000 0.262 760 L C -2.003 174.734 176.870 -0.222 0.000 1.093 760 L CA -2.335 52.367 54.840 -0.231 0.000 0.801 760 L CB 1.667 43.518 42.059 -0.346 0.000 1.191 760 L HN 0.201 nan 8.230 nan 0.000 0.459 761 P HA 0.074 nan 4.420 nan 0.000 0.267 761 P C 0.040 177.224 177.300 -0.193 0.000 1.209 761 P CA 0.375 63.376 63.100 -0.164 0.000 0.763 761 P CB 0.945 32.580 31.700 -0.109 0.000 0.816 762 S N -0.234 115.356 115.700 -0.184 0.000 2.929 762 S HA -0.114 4.356 4.470 -0.001 0.000 0.271 762 S C 0.204 174.680 174.600 -0.206 0.000 1.295 762 S CA 1.243 59.347 58.200 -0.160 0.000 1.277 762 S CB -1.605 61.530 63.200 -0.109 0.000 1.557 762 S HN 0.408 nan 8.310 nan 0.000 0.666 763 V N 1.284 121.018 119.914 -0.301 0.000 2.655 763 V HA 0.438 4.557 4.120 -0.001 0.000 0.301 763 V C -0.218 175.641 176.094 -0.392 0.000 1.082 763 V CA -0.804 61.278 62.300 -0.362 0.000 0.899 763 V CB 2.088 33.533 31.823 -0.630 0.000 1.014 763 V HN 0.104 nan 8.190 nan 0.000 0.429 764 V N 4.174 123.872 119.914 -0.359 0.000 2.368 764 V HA 0.317 4.436 4.120 -0.001 0.000 0.266 764 V C -0.143 175.733 176.094 -0.363 0.000 1.045 764 V CA -0.305 61.683 62.300 -0.520 0.000 0.899 764 V CB 0.681 32.094 31.823 -0.682 0.000 1.006 764 V HN 0.934 nan 8.190 nan 0.000 0.470 765 H N 4.472 123.277 119.070 -0.441 0.000 2.476 765 H HA 0.593 5.149 4.556 -0.001 0.000 0.328 765 H C -0.427 174.781 175.328 -0.201 0.000 1.073 765 H CA -0.208 55.684 56.048 -0.259 0.000 1.229 765 H CB 1.201 30.833 29.762 -0.216 0.000 1.432 765 H HN 0.680 nan 8.280 nan 0.000 0.477 766 Q N 3.948 123.435 119.800 -0.522 0.000 2.323 766 Q HA 0.386 4.725 4.340 -0.001 0.000 0.271 766 Q C -1.326 174.469 176.000 -0.342 0.000 1.048 766 Q CA -0.915 54.676 55.803 -0.354 0.000 0.792 766 Q CB 1.639 30.275 28.738 -0.170 0.000 1.280 766 Q HN 0.759 nan 8.270 nan 0.000 0.441 767 T N 4.835 119.272 114.554 -0.196 0.000 2.770 767 T HA 0.546 4.896 4.350 -0.001 0.000 0.283 767 T C -0.378 174.351 174.700 0.049 0.000 0.988 767 T CA -0.319 61.788 62.100 0.012 0.000 0.957 767 T CB 0.309 69.354 68.868 0.294 0.000 0.930 767 T HN 0.452 nan 8.240 nan 0.000 0.443 768 I N 3.577 124.191 120.570 0.074 0.000 2.474 768 I HA 0.506 4.676 4.170 -0.001 0.000 0.294 768 I C -0.302 175.873 176.117 0.096 0.000 1.005 768 I CA -0.831 60.511 61.300 0.069 0.000 1.113 768 I CB 1.878 39.908 38.000 0.051 0.000 1.289 768 I HN 0.382 nan 8.210 nan 0.000 0.436 769 M N 5.714 125.371 119.600 0.094 0.000 2.253 769 M HA 0.484 4.963 4.480 -0.001 0.000 0.314 769 M C 0.152 176.498 176.300 0.076 0.000 1.019 769 M CA -0.353 55.006 55.300 0.099 0.000 0.932 769 M CB 2.253 34.927 32.600 0.123 0.000 1.606 769 M HN 0.488 nan 8.290 nan 0.000 0.430 770 R N 1.098 121.637 120.500 0.065 0.000 2.572 770 R HA 0.353 4.693 4.340 -0.001 0.000 0.370 770 R C 0.784 177.114 176.300 0.051 0.000 1.005 770 R CA 0.253 56.385 56.100 0.053 0.000 1.146 770 R CB 1.111 31.436 30.300 0.040 0.000 1.390 770 R HN 1.140 nan 8.270 nan 0.000 0.553 771 G N -0.387 108.446 108.800 0.055 0.000 2.211 771 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.201 771 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.201 771 G C 0.264 175.189 174.900 0.041 0.000 0.997 771 G CA -0.365 44.764 45.100 0.048 0.000 0.652 771 G HN 0.527 nan 8.290 nan 0.000 0.500 772 G N -0.104 108.721 108.800 0.042 0.000 3.259 772 G HA2 0.792 4.752 3.960 -0.001 0.000 0.178 772 G HA3 0.792 4.752 3.960 -0.001 0.000 0.178 772 G C 0.386 175.310 174.900 0.040 0.000 1.129 772 G CA 0.559 45.679 45.100 0.033 0.000 0.816 772 G HN 1.532 nan 8.290 nan 0.000 0.634 773 A N 1.389 124.230 122.820 0.036 0.000 2.511 773 A HA 0.565 4.885 4.320 -0.001 0.000 0.242 773 A C -1.910 175.715 177.584 0.069 0.000 1.069 773 A CA -0.516 51.548 52.037 0.046 0.000 0.763 773 A CB -0.356 18.668 19.000 0.041 0.000 1.001 773 A HN 0.350 nan 8.150 nan 0.000 0.498 774 P HA 0.166 nan 4.420 nan 0.000 0.272 774 P C -0.477 176.899 177.300 0.126 0.000 1.230 774 P CA -0.222 62.948 63.100 0.118 0.000 0.788 774 P CB 0.595 32.389 31.700 0.157 0.000 0.949 775 E N 1.279 121.551 120.200 0.119 0.000 2.166 775 E HA 0.385 4.734 4.350 -0.001 0.000 0.275 775 E C -0.858 175.822 176.600 0.133 0.000 0.941 775 E CA -0.671 55.802 56.400 0.122 0.000 0.784 775 E CB 0.574 30.322 29.700 0.080 0.000 1.115 775 E HN 0.200 nan 8.360 nan 0.000 0.399 776 I N 4.163 124.845 120.570 0.188 0.000 2.404 776 I HA 0.413 4.583 4.170 -0.001 0.000 0.293 776 I C -0.016 176.222 176.117 0.202 0.000 0.992 776 I CA -0.629 60.759 61.300 0.146 0.000 1.149 776 I CB 1.315 39.413 38.000 0.164 0.000 1.315 776 I HN 0.565 nan 8.210 nan 0.000 0.446 777 R N 4.596 125.141 120.500 0.075 0.000 2.513 777 R HA 0.479 4.819 4.340 -0.001 0.000 0.301 777 R C -0.947 175.399 176.300 0.078 0.000 0.968 777 R CA -0.841 55.316 56.100 0.094 0.000 0.872 777 R CB 1.998 32.311 30.300 0.022 0.000 1.177 777 R HN 0.466 nan 8.270 nan 0.000 0.444 778 N N 2.679 121.486 118.700 0.179 0.000 2.407 778 N HA 0.195 4.935 4.740 -0.001 0.000 0.277 778 N C -1.228 174.290 175.510 0.012 0.000 0.995 778 N CA -0.698 52.430 53.050 0.130 0.000 0.903 778 N CB 1.834 40.504 38.487 0.305 0.000 1.218 778 N HN 0.308 nan 8.380 nan 0.000 0.487 779 L N 3.729 124.900 121.223 -0.086 0.000 2.268 779 L HA 0.375 4.715 4.340 -0.001 0.000 0.289 779 L C -0.990 175.803 176.870 -0.129 0.000 1.064 779 L CA -0.488 54.281 54.840 -0.117 0.000 0.824 779 L CB 0.494 42.474 42.059 -0.132 0.000 1.202 779 L HN 0.212 nan 8.230 nan 0.000 0.433 780 V N 4.665 124.506 119.914 -0.122 0.000 2.350 780 V HA 0.394 4.513 4.120 -0.001 0.000 0.276 780 V C -0.477 175.570 176.094 -0.077 0.000 1.028 780 V CA -0.503 61.743 62.300 -0.090 0.000 0.860 780 V CB 1.325 33.122 31.823 -0.042 0.000 0.990 780 V HN 0.697 nan 8.190 nan 0.000 0.453 781 D N 4.082 124.437 120.400 -0.075 0.000 2.375 781 D HA 0.247 4.887 4.640 -0.001 0.000 0.259 781 D C 0.460 176.733 176.300 -0.046 0.000 1.235 781 D CA -0.394 53.573 54.000 -0.056 0.000 0.924 781 D CB 1.304 42.066 40.800 -0.064 0.000 1.143 781 D HN 0.475 nan 8.370 nan 0.000 0.529 782 I N 2.199 122.758 120.570 -0.018 0.000 3.334 782 I HA 0.102 4.271 4.170 -0.001 0.000 0.282 782 I C 1.300 177.413 176.117 -0.006 0.000 1.313 782 I CA 1.033 62.330 61.300 -0.006 0.000 1.396 782 I CB -0.294 37.722 38.000 0.026 0.000 1.054 782 I HN 0.605 nan 8.210 nan 0.000 0.495 783 G N 0.979 109.773 108.800 -0.010 0.000 2.583 783 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.292 783 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.292 783 G C 0.471 175.376 174.900 0.007 0.000 1.203 783 G CA 0.367 45.463 45.100 -0.006 0.000 0.987 783 G HN 0.702 nan 8.290 nan 0.000 0.554 784 S N -0.222 115.484 115.700 0.010 0.000 2.588 784 S HA 0.568 5.038 4.470 -0.001 0.000 0.245 784 S C 0.649 175.260 174.600 0.018 0.000 1.021 784 S CA -0.063 58.148 58.200 0.017 0.000 1.006 784 S CB 0.130 63.341 63.200 0.019 0.000 0.830 784 S HN 0.700 nan 8.310 nan 0.000 0.468 785 L N 2.882 124.115 121.223 0.016 0.000 2.505 785 L HA 0.266 4.605 4.340 -0.001 0.000 0.279 785 L C -0.272 176.616 176.870 0.030 0.000 1.211 785 L CA -0.279 54.573 54.840 0.020 0.000 1.059 785 L CB -0.554 41.515 42.059 0.017 0.000 1.340 785 L HN 0.183 nan 8.230 nan 0.000 0.447 786 D N 2.717 123.135 120.400 0.029 0.000 2.399 786 D HA 0.003 4.643 4.640 -0.001 0.000 0.241 786 D C 0.672 176.996 176.300 0.040 0.000 1.133 786 D CA 0.282 54.302 54.000 0.034 0.000 0.890 786 D CB 0.377 41.195 40.800 0.029 0.000 1.201 786 D HN 0.303 nan 8.370 nan 0.000 0.432 787 N N 0.562 119.290 118.700 0.045 0.000 2.725 787 N HA -0.175 4.564 4.740 -0.001 0.000 0.251 787 N C -0.996 174.555 175.510 0.069 0.000 1.031 787 N CA 0.844 53.926 53.050 0.053 0.000 0.720 787 N CB -1.112 37.401 38.487 0.043 0.000 0.930 787 N HN 0.282 nan 8.380 nan 0.000 0.543 788 T N 0.439 115.038 114.554 0.075 0.000 2.916 788 T HA 0.407 4.757 4.350 -0.001 0.000 0.298 788 T C -0.299 174.465 174.700 0.108 0.000 1.031 788 T CA -0.723 61.432 62.100 0.092 0.000 0.993 788 T CB 2.273 71.181 68.868 0.067 0.000 1.045 788 T HN 0.024 nan 8.240 nan 0.000 0.454 789 E N 2.532 122.825 120.200 0.155 0.000 2.191 789 E HA 0.412 4.761 4.350 -0.001 0.000 0.263 789 E C -0.652 176.063 176.600 0.191 0.000 0.881 789 E CA -0.888 55.603 56.400 0.151 0.000 0.757 789 E CB 1.808 31.580 29.700 0.120 0.000 1.147 789 E HN 0.326 nan 8.360 nan 0.000 0.414 790 I N 2.798 123.462 120.570 0.157 0.000 2.365 790 I HA 0.263 4.432 4.170 -0.001 0.000 0.291 790 I C 0.132 176.378 176.117 0.215 0.000 1.004 790 I CA -0.648 60.756 61.300 0.174 0.000 1.311 790 I CB 1.318 39.410 38.000 0.153 0.000 1.401 790 I HN 0.289 nan 8.210 nan 0.000 0.491 791 V N 7.981 128.020 119.914 0.208 0.000 2.628 791 V HA 0.514 4.633 4.120 -0.001 0.000 0.306 791 V C -0.394 175.721 176.094 0.035 0.000 1.045 791 V CA -0.810 61.597 62.300 0.179 0.000 0.905 791 V CB 2.242 34.231 31.823 0.277 0.000 0.997 791 V HN 0.776 nan 8.190 nan 0.000 0.436 792 M N 7.189 126.734 119.600 -0.092 0.000 2.129 792 M HA 0.567 5.046 4.480 -0.001 0.000 0.348 792 M C -0.552 175.594 176.300 -0.257 0.000 1.116 792 M CA -0.421 54.593 55.300 -0.477 0.000 1.022 792 M CB 0.608 32.899 32.600 -0.516 0.000 1.599 792 M HN 0.753 nan 8.290 nan 0.000 0.449 793 R N 4.647 124.980 120.500 -0.279 0.000 2.664 793 R HA 0.712 5.052 4.340 -0.001 0.000 0.286 793 R C -1.923 174.269 176.300 -0.180 0.000 0.967 793 R CA -0.626 55.374 56.100 -0.167 0.000 0.933 793 R CB 1.453 31.671 30.300 -0.136 0.000 1.146 793 R HN 0.808 nan 8.270 nan 0.000 0.468 794 L N 3.158 124.257 121.223 -0.207 0.000 2.313 794 L HA 0.431 4.771 4.340 -0.001 0.000 0.283 794 L C -0.533 176.213 176.870 -0.206 0.000 1.013 794 L CA -0.452 54.194 54.840 -0.323 0.000 0.816 794 L CB 1.980 43.801 42.059 -0.397 0.000 1.236 794 L HN 0.614 nan 8.230 nan 0.000 0.419 795 E N 2.004 122.096 120.200 -0.180 0.000 2.158 795 E HA 0.535 4.885 4.350 -0.001 0.000 0.271 795 E C -0.623 175.913 176.600 -0.107 0.000 0.911 795 E CA -0.493 55.852 56.400 -0.093 0.000 0.767 795 E CB 2.223 31.908 29.700 -0.025 0.000 1.120 795 E HN 0.625 nan 8.360 nan 0.000 0.405 796 T N -1.359 113.147 114.554 -0.080 0.000 2.804 796 T HA 0.310 4.659 4.350 -0.001 0.000 0.290 796 T C 0.175 174.888 174.700 0.021 0.000 1.099 796 T CA -0.696 61.340 62.100 -0.106 0.000 1.011 796 T CB 1.047 69.870 68.868 -0.076 0.000 1.291 796 T HN 0.580 nan 8.240 nan 0.000 0.523 797 H N -0.688 118.372 119.070 -0.017 0.000 2.517 797 H HA 0.402 4.958 4.556 -0.001 0.000 0.282 797 H C 0.180 175.507 175.328 -0.002 0.000 1.023 797 H CA -0.507 55.536 56.048 -0.008 0.000 1.169 797 H CB 0.053 29.810 29.762 -0.008 0.000 1.454 797 H HN 0.317 nan 8.280 nan 0.000 0.556 798 I N 1.597 122.235 120.570 0.114 0.000 2.618 798 I HA -0.120 4.050 4.170 -0.001 0.000 0.284 798 I C 0.524 176.684 176.117 0.071 0.000 1.146 798 I CA 0.226 61.572 61.300 0.077 0.000 1.425 798 I CB 0.538 38.573 38.000 0.058 0.000 1.383 798 I HN 0.144 nan 8.210 nan 0.000 0.562 799 D N 4.383 124.820 120.400 0.061 0.000 2.713 799 D HA 0.035 4.675 4.640 -0.001 0.000 0.229 799 D C 1.247 177.585 176.300 0.063 0.000 1.136 799 D CA -0.020 54.011 54.000 0.051 0.000 1.010 799 D CB 0.325 41.147 40.800 0.037 0.000 1.084 799 D HN 0.543 nan 8.370 nan 0.000 0.495 800 S N 0.100 115.844 115.700 0.073 0.000 2.496 800 S HA 0.245 4.715 4.470 -0.001 0.000 0.224 800 S C 1.600 176.249 174.600 0.081 0.000 0.996 800 S CA 0.320 58.577 58.200 0.094 0.000 0.927 800 S CB -0.137 63.131 63.200 0.113 0.000 0.774 800 S HN 0.520 nan 8.310 nan 0.000 0.524 801 G N 3.120 111.957 108.800 0.062 0.000 2.557 801 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.292 801 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.292 801 G C 0.111 175.050 174.900 0.065 0.000 1.162 801 G CA 0.524 45.657 45.100 0.055 0.000 0.964 801 G HN 0.766 nan 8.290 nan 0.000 0.541 802 D N 0.196 120.639 120.400 0.072 0.000 2.440 802 D HA 0.366 5.006 4.640 -0.001 0.000 0.216 802 D C 0.661 177.043 176.300 0.136 0.000 1.150 802 D CA -0.218 53.843 54.000 0.100 0.000 0.832 802 D CB 0.307 41.152 40.800 0.076 0.000 0.992 802 D HN 0.463 nan 8.370 nan 0.000 0.502 803 I N 1.471 122.104 120.570 0.105 0.000 2.460 803 I HA 0.503 4.673 4.170 -0.001 0.000 0.298 803 I C -0.124 176.071 176.117 0.129 0.000 0.989 803 I CA -1.117 60.188 61.300 0.009 0.000 1.173 803 I CB 0.684 38.654 38.000 -0.051 0.000 1.338 803 I HN 0.007 nan 8.210 nan 0.000 0.456 804 F N 4.050 123.810 119.950 -0.316 0.000 2.745 804 F HA 0.689 5.216 4.527 -0.001 0.000 0.316 804 F C -1.989 173.438 175.800 -0.623 0.000 1.155 804 F CA -1.174 56.660 58.000 -0.278 0.000 0.937 804 F CB 1.548 40.462 39.000 -0.144 0.000 1.361 804 F HN 0.167 nan 8.300 nan 0.000 0.472 805 Y N 0.119 120.198 120.300 -0.369 0.000 2.462 805 Y HA 0.688 5.237 4.550 -0.001 0.000 0.346 805 Y C 0.010 175.753 175.900 -0.262 0.000 0.976 805 Y CA -0.719 57.032 58.100 -0.581 0.000 1.044 805 Y CB 2.470 40.158 38.460 -1.285 0.000 1.230 805 Y HN 0.868 nan 8.280 nan 0.000 0.455 806 T N -1.539 112.951 114.554 -0.105 0.000 2.883 806 T HA 0.490 4.839 4.350 -0.001 0.000 0.296 806 T C -1.138 173.401 174.700 -0.268 0.000 1.117 806 T CA -1.073 60.990 62.100 -0.062 0.000 1.006 806 T CB 2.059 70.862 68.868 -0.109 0.000 1.191 806 T HN 0.582 nan 8.240 nan 0.000 0.508 807 D N 0.887 120.973 120.400 -0.523 0.000 2.332 807 D HA 0.398 5.038 4.640 -0.001 0.000 0.252 807 D C -0.628 175.411 176.300 -0.436 0.000 1.050 807 D CA -0.823 52.668 54.000 -0.847 0.000 0.970 807 D CB 1.303 41.334 40.800 -1.280 0.000 1.141 807 D HN 0.557 nan 8.370 nan 0.000 0.485 808 L N 0.838 121.844 121.223 -0.361 0.000 2.316 808 L HA 0.223 4.563 4.340 -0.001 0.000 0.280 808 L C -0.134 176.612 176.870 -0.206 0.000 1.006 808 L CA -0.787 53.931 54.840 -0.204 0.000 0.836 808 L CB 0.514 42.519 42.059 -0.089 0.000 1.221 808 L HN 0.452 nan 8.230 nan 0.000 0.418 809 N N 2.137 120.721 118.700 -0.193 0.000 2.714 809 N HA -0.230 4.510 4.740 -0.001 0.000 0.250 809 N C 0.965 176.254 175.510 -0.369 0.000 1.117 809 N CA 0.897 53.828 53.050 -0.197 0.000 0.719 809 N CB -1.096 37.354 38.487 -0.062 0.000 1.081 809 N HN 1.085 nan 8.380 nan 0.000 0.557 810 G N -1.686 106.901 108.800 -0.354 0.000 2.155 810 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.257 810 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.257 810 G C 0.619 175.496 174.900 -0.038 0.000 0.983 810 G CA 0.684 45.599 45.100 -0.308 0.000 0.676 810 G HN 0.491 nan 8.290 nan 0.000 0.528 811 L N -0.346 120.791 121.223 -0.144 0.000 2.467 811 L HA 0.506 4.845 4.340 -0.001 0.000 0.213 811 L C 0.973 177.726 176.870 -0.195 0.000 1.053 811 L CA 1.946 56.614 54.840 -0.286 0.000 0.847 811 L CB 0.156 41.887 42.059 -0.547 0.000 1.075 811 L HN 0.707 nan 8.230 nan 0.000 0.479 812 Q N -1.764 117.922 119.800 -0.190 0.000 2.482 812 Q HA 0.359 4.699 4.340 -0.001 0.000 0.286 812 Q C -1.727 174.149 176.000 -0.206 0.000 1.007 812 Q CA -0.738 55.017 55.803 -0.079 0.000 0.801 812 Q CB 1.184 29.933 28.738 0.018 0.000 1.455 812 Q HN -0.033 nan 8.270 nan 0.000 0.398 813 F N 1.332 121.241 119.950 -0.067 0.000 2.444 813 F HA 0.598 5.125 4.527 -0.001 0.000 0.342 813 F C -0.220 175.545 175.800 -0.058 0.000 1.121 813 F CA -0.826 57.147 58.000 -0.045 0.000 0.997 813 F CB 1.730 40.750 39.000 0.033 0.000 1.130 813 F HN 0.540 nan 8.300 nan 0.000 0.454 814 I N 3.809 124.383 120.570 0.008 0.000 2.474 814 I HA 0.342 4.512 4.170 -0.001 0.000 0.294 814 I C -0.490 175.501 176.117 -0.211 0.000 1.005 814 I CA -0.872 60.386 61.300 -0.071 0.000 1.113 814 I CB 1.296 39.206 38.000 -0.150 0.000 1.289 814 I HN 0.507 nan 8.210 nan 0.000 0.436 815 K N 6.573 126.810 120.400 -0.273 0.000 2.368 815 K HA 0.262 4.581 4.320 -0.001 0.000 0.282 815 K C -0.856 175.302 176.600 -0.737 0.000 1.035 815 K CA -0.355 55.499 56.287 -0.722 0.000 0.973 815 K CB 0.518 32.726 32.500 -0.486 0.000 0.957 815 K HN 0.496 nan 8.250 nan 0.000 0.474 816 R N 3.203 123.081 120.500 -1.037 0.000 2.664 816 R HA 0.345 4.685 4.340 -0.001 0.000 0.286 816 R C -0.540 175.265 176.300 -0.826 0.000 0.967 816 R CA -0.790 54.634 56.100 -1.126 0.000 0.933 816 R CB 1.533 30.612 30.300 -2.034 0.000 1.146 816 R HN 0.663 nan 8.270 nan 0.000 0.468 817 R N 1.560 121.790 120.500 -0.451 0.000 2.439 817 R HA 0.289 4.629 4.340 -0.001 0.000 0.310 817 R C -0.435 175.906 176.300 0.069 0.000 0.955 817 R CA -0.661 55.350 56.100 -0.148 0.000 0.853 817 R CB 1.426 31.681 30.300 -0.075 0.000 1.171 817 R HN 0.521 nan 8.270 nan 0.000 0.449 818 R N 4.970 125.619 120.500 0.248 0.000 2.522 818 R HA 0.096 4.435 4.340 -0.001 0.000 0.284 818 R C -0.954 175.432 176.300 0.143 0.000 1.032 818 R CA 0.294 56.568 56.100 0.291 0.000 1.049 818 R CB 0.370 30.826 30.300 0.260 0.000 0.956 818 R HN 0.545 nan 8.270 nan 0.000 0.422 819 L N 4.982 126.268 121.223 0.104 0.000 2.319 819 L HA 0.214 4.554 4.340 -0.001 0.000 0.281 819 L C 0.234 177.101 176.870 -0.003 0.000 1.005 819 L CA -0.688 54.173 54.840 0.035 0.000 0.828 819 L CB 1.995 44.049 42.059 -0.009 0.000 1.227 819 L HN 0.653 nan 8.230 nan 0.000 0.415 820 D N 1.623 122.027 120.400 0.007 0.000 2.348 820 D HA -0.113 4.527 4.640 -0.001 0.000 0.216 820 D C 1.670 177.957 176.300 -0.022 0.000 0.970 820 D CA 0.763 54.761 54.000 -0.003 0.000 0.889 820 D CB 0.355 41.162 40.800 0.011 0.000 0.912 820 D HN 0.552 nan 8.370 nan 0.000 0.524 821 K N 0.234 120.614 120.400 -0.033 0.000 2.486 821 K HA 0.017 4.337 4.320 -0.001 0.000 0.194 821 K C 0.670 177.212 176.600 -0.096 0.000 1.033 821 K CA 0.314 56.578 56.287 -0.037 0.000 1.004 821 K CB 0.343 32.840 32.500 -0.006 0.000 0.798 821 K HN 0.104 nan 8.250 nan 0.000 0.495 822 L N 2.407 123.534 121.223 -0.159 0.000 2.334 822 L HA 0.457 4.797 4.340 -0.001 0.000 0.272 822 L C -2.221 174.543 176.870 -0.175 0.000 1.020 822 L CA -2.849 51.851 54.840 -0.233 0.000 0.812 822 L CB 1.492 43.321 42.059 -0.383 0.000 1.264 822 L HN -0.035 nan 8.230 nan 0.000 0.439 823 P HA 0.051 nan 4.420 nan 0.000 0.274 823 P C 0.810 177.984 177.300 -0.209 0.000 1.256 823 P CA -0.465 62.538 63.100 -0.161 0.000 0.795 823 P CB 1.317 32.944 31.700 -0.122 0.000 1.038 824 L N 0.798 121.927 121.223 -0.157 0.000 2.013 824 L HA -0.267 4.072 4.340 -0.001 0.000 0.212 824 L C 2.502 179.286 176.870 -0.144 0.000 1.073 824 L CA 1.883 56.658 54.840 -0.109 0.000 0.753 824 L CB -0.677 41.315 42.059 -0.112 0.000 0.890 824 L HN 0.414 nan 8.230 nan 0.000 0.432 825 Q N -0.316 119.285 119.800 -0.333 0.000 2.364 825 Q HA -0.160 4.180 4.340 -0.001 0.000 0.209 825 Q C 1.834 177.726 176.000 -0.179 0.000 0.977 825 Q CA 1.453 57.091 55.803 -0.275 0.000 0.885 825 Q CB -0.493 27.997 28.738 -0.414 0.000 0.941 825 Q HN 0.610 nan 8.270 nan 0.000 0.464 826 A N 1.398 123.900 122.820 -0.530 0.000 2.119 826 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 826 A C 1.602 178.993 177.584 -0.322 0.000 1.152 826 A CA 0.608 52.169 52.037 -0.793 0.000 0.708 826 A CB -0.138 18.019 19.000 -1.405 0.000 0.805 826 A HN 0.325 nan 8.150 nan 0.000 0.460 827 N N -1.084 117.545 118.700 -0.119 0.000 2.398 827 N HA 0.055 4.794 4.740 -0.001 0.000 0.188 827 N C -0.860 174.743 175.510 0.154 0.000 1.122 827 N CA 0.195 53.295 53.050 0.082 0.000 0.866 827 N CB 0.048 38.633 38.487 0.164 0.000 0.970 827 N HN 0.458 nan 8.380 nan 0.000 0.462 828 Y N 0.291 120.547 120.300 -0.073 0.000 2.319 828 Y HA 0.192 4.742 4.550 -0.001 0.000 0.328 828 Y C -0.136 175.700 175.900 -0.108 0.000 1.133 828 Y CA -0.048 58.087 58.100 0.058 0.000 1.265 828 Y CB 0.374 38.941 38.460 0.179 0.000 1.218 828 Y HN -0.059 nan 8.280 nan 0.000 0.508 829 Y N 3.251 123.698 120.300 0.244 0.000 2.605 829 Y HA 0.449 4.999 4.550 -0.001 0.000 0.343 829 Y C -2.287 173.318 175.900 -0.491 0.000 1.036 829 Y CA -2.880 55.211 58.100 -0.015 0.000 1.065 829 Y CB 1.558 39.999 38.460 -0.032 0.000 1.288 829 Y HN 0.445 nan 8.280 nan 0.000 0.481 830 P HA 0.114 nan 4.420 nan 0.000 0.271 830 P C -0.682 176.380 177.300 -0.396 0.000 1.216 830 P CA 0.239 62.753 63.100 -0.977 0.000 0.776 830 P CB 0.529 31.567 31.700 -1.104 0.000 0.881 831 I N 4.859 125.278 120.570 -0.251 0.000 2.692 831 I HA 0.170 4.339 4.170 -0.001 0.000 0.285 831 I C -1.706 174.344 176.117 -0.112 0.000 1.191 831 I CA -2.432 58.794 61.300 -0.123 0.000 1.128 831 I CB 0.710 38.693 38.000 -0.027 0.000 1.585 831 I HN 0.203 nan 8.210 nan 0.000 0.558 832 P HA -0.056 nan 4.420 nan 0.000 0.221 832 P C 1.030 178.302 177.300 -0.047 0.000 1.150 832 P CA 1.202 64.232 63.100 -0.117 0.000 0.800 832 P CB 0.586 32.185 31.700 -0.167 0.000 0.787 833 S N -3.580 112.098 115.700 -0.037 0.000 2.551 833 S HA 0.453 4.923 4.470 -0.001 0.000 0.276 833 S C 0.534 175.228 174.600 0.157 0.000 1.051 833 S CA 0.298 58.536 58.200 0.063 0.000 1.377 833 S CB 0.247 63.509 63.200 0.103 0.000 1.208 833 S HN 0.328 nan 8.310 nan 0.000 0.656 834 G N 1.550 110.449 108.800 0.165 0.000 2.466 834 G HA2 0.577 4.536 3.960 -0.001 0.000 0.291 834 G HA3 0.577 4.536 3.960 -0.001 0.000 0.291 834 G C -1.479 173.676 174.900 0.425 0.000 1.460 834 G CA -0.445 44.882 45.100 0.379 0.000 0.791 834 G HN 0.886 nan 8.290 nan 0.000 0.505 835 M N -0.639 119.228 119.600 0.444 0.000 2.520 835 M HA 0.885 5.364 4.480 -0.001 0.000 0.280 835 M C -1.733 174.813 176.300 0.410 0.000 1.232 835 M CA -1.011 54.514 55.300 0.375 0.000 0.892 835 M CB 2.527 35.255 32.600 0.214 0.000 1.728 835 M HN 1.149 nan 8.290 nan 0.000 0.475 836 F N 0.908 121.004 119.950 0.242 0.000 2.686 836 F HA 0.913 5.439 4.527 -0.001 0.000 0.311 836 F C -1.730 174.206 175.800 0.227 0.000 1.128 836 F CA -1.206 56.877 58.000 0.138 0.000 0.946 836 F CB 1.127 40.126 39.000 -0.002 0.000 1.336 836 F HN 0.787 nan 8.300 nan 0.000 0.457 837 I N -0.238 120.566 120.570 0.390 0.000 2.785 837 I HA 0.891 5.061 4.170 -0.001 0.000 0.302 837 I C -1.406 174.902 176.117 0.318 0.000 1.069 837 I CA -0.897 60.597 61.300 0.323 0.000 1.045 837 I CB 2.417 40.522 38.000 0.175 0.000 1.236 837 I HN 0.957 nan 8.210 nan 0.000 0.429 838 E N 1.937 122.306 120.200 0.282 0.000 2.407 838 E HA 0.534 4.883 4.350 -0.001 0.000 0.279 838 E C -2.074 174.614 176.600 0.146 0.000 1.012 838 E CA -0.825 55.687 56.400 0.187 0.000 0.800 838 E CB 2.257 32.063 29.700 0.178 0.000 1.276 838 E HN 0.748 nan 8.360 nan 0.000 0.452 839 D N 0.661 121.117 120.400 0.093 0.000 2.784 839 D HA 0.458 5.098 4.640 -0.001 0.000 0.256 839 D C 0.891 177.224 176.300 0.053 0.000 1.129 839 D CA -0.157 53.888 54.000 0.075 0.000 1.102 839 D CB 0.024 40.860 40.800 0.060 0.000 1.330 839 D HN 0.448 nan 8.370 nan 0.000 0.626 840 A N -0.717 122.127 122.820 0.040 0.000 1.972 840 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 840 A C 1.526 179.118 177.584 0.012 0.000 1.169 840 A CA 1.564 53.617 52.037 0.026 0.000 0.635 840 A CB -0.721 18.292 19.000 0.022 0.000 0.810 840 A HN 0.512 nan 8.150 nan 0.000 0.446 841 N N -1.746 116.962 118.700 0.012 0.000 2.397 841 N HA 0.071 4.811 4.740 -0.001 0.000 0.190 841 N C -0.436 175.069 175.510 -0.008 0.000 1.099 841 N CA 0.749 53.799 53.050 -0.000 0.000 0.876 841 N CB 0.617 39.105 38.487 0.003 0.000 1.143 841 N HN 0.295 nan 8.380 nan 0.000 0.468 842 T N 0.666 115.221 114.554 0.002 0.000 2.886 842 T HA 0.436 4.786 4.350 -0.001 0.000 0.292 842 T C -0.564 174.136 174.700 -0.000 0.000 1.012 842 T CA -0.644 61.452 62.100 -0.006 0.000 0.982 842 T CB 2.792 71.664 68.868 0.006 0.000 1.018 842 T HN -0.039 nan 8.240 nan 0.000 0.451 843 R N 2.137 122.620 120.500 -0.029 0.000 2.686 843 R HA 0.736 5.075 4.340 -0.001 0.000 0.286 843 R C -1.874 174.409 176.300 -0.028 0.000 0.969 843 R CA -0.912 55.172 56.100 -0.026 0.000 0.898 843 R CB 1.242 31.463 30.300 -0.132 0.000 1.183 843 R HN 0.449 nan 8.270 nan 0.000 0.456 844 L N 2.637 123.873 121.223 0.023 0.000 2.349 844 L HA 0.495 4.834 4.340 -0.001 0.000 0.278 844 L C -1.299 175.613 176.870 0.070 0.000 0.996 844 L CA 0.079 54.924 54.840 0.008 0.000 0.825 844 L CB 2.255 44.306 42.059 -0.013 0.000 1.243 844 L HN 0.643 nan 8.230 nan 0.000 0.412 845 T N 5.662 120.235 114.554 0.032 0.000 2.807 845 T HA 0.562 4.911 4.350 -0.001 0.000 0.279 845 T C -1.047 173.716 174.700 0.105 0.000 0.993 845 T CA -0.282 61.873 62.100 0.093 0.000 0.970 845 T CB 1.411 70.257 68.868 -0.037 0.000 0.950 845 T HN 0.456 nan 8.240 nan 0.000 0.441 846 L N 5.094 126.416 121.223 0.164 0.000 2.298 846 L HA 0.539 4.878 4.340 -0.001 0.000 0.284 846 L C -1.283 175.734 176.870 0.245 0.000 1.013 846 L CA -0.704 54.245 54.840 0.181 0.000 0.824 846 L CB 0.525 42.669 42.059 0.142 0.000 1.221 846 L HN 0.411 nan 8.230 nan 0.000 0.418 847 L N 3.857 125.227 121.223 0.244 0.000 2.343 847 L HA 0.647 4.986 4.340 -0.001 0.000 0.275 847 L C 0.525 177.547 176.870 0.253 0.000 1.056 847 L CA -0.262 54.721 54.840 0.239 0.000 0.804 847 L CB 1.421 43.587 42.059 0.178 0.000 1.203 847 L HN 0.767 nan 8.230 nan 0.000 0.440 848 T N -2.426 112.230 114.554 0.169 0.000 2.908 848 T HA 0.610 4.960 4.350 -0.001 0.000 0.290 848 T C 0.667 175.337 174.700 -0.051 0.000 1.034 848 T CA -0.307 61.807 62.100 0.024 0.000 1.010 848 T CB 1.945 70.832 68.868 0.031 0.000 1.068 848 T HN 0.678 nan 8.240 nan 0.000 0.481 849 G N 1.204 109.898 108.800 -0.176 0.000 3.284 849 G HA2 0.420 4.380 3.960 -0.001 0.000 0.236 849 G HA3 0.420 4.380 3.960 -0.001 0.000 0.236 849 G C 0.166 175.006 174.900 -0.100 0.000 1.158 849 G CA -0.316 44.714 45.100 -0.117 0.000 0.774 849 G HN 0.969 nan 8.290 nan 0.000 0.545 850 Q N -0.241 119.496 119.800 -0.106 0.000 2.479 850 Q HA 0.285 4.624 4.340 -0.001 0.000 0.276 850 Q C -3.554 172.410 176.000 -0.060 0.000 0.989 850 Q CA -2.163 53.600 55.803 -0.066 0.000 0.864 850 Q CB 1.844 30.557 28.738 -0.042 0.000 1.444 850 Q HN 0.000 nan 8.270 nan 0.000 0.388 851 P HA 0.471 nan 4.420 nan 0.000 0.281 851 P C -0.688 176.598 177.300 -0.024 0.000 1.252 851 P CA -0.166 62.916 63.100 -0.030 0.000 0.778 851 P CB 1.036 32.725 31.700 -0.019 0.000 0.895 852 L N 1.560 122.764 121.223 -0.031 0.000 2.403 852 L HA 0.684 5.023 4.340 -0.001 0.000 0.253 852 L C 0.753 177.642 176.870 0.031 0.000 1.045 852 L CA -1.140 53.704 54.840 0.006 0.000 0.845 852 L CB 2.027 44.074 42.059 -0.020 0.000 1.447 852 L HN 0.345 nan 8.230 nan 0.000 0.411 853 G N -1.054 107.820 108.800 0.123 0.000 2.425 853 G HA2 0.691 4.651 3.960 -0.001 0.000 0.302 853 G HA3 0.691 4.651 3.960 -0.001 0.000 0.302 853 G C -0.541 174.393 174.900 0.057 0.000 1.159 853 G CA 0.074 45.305 45.100 0.219 0.000 0.865 853 G HN 0.878 nan 8.290 nan 0.000 0.515 854 G N -1.512 107.136 108.800 -0.254 0.000 2.550 854 G HA2 0.666 4.626 3.960 -0.001 0.000 0.293 854 G HA3 0.666 4.626 3.960 -0.001 0.000 0.293 854 G C -1.186 173.256 174.900 -0.763 0.000 1.402 854 G CA 0.463 45.205 45.100 -0.597 0.000 0.784 854 G HN 1.283 nan 8.290 nan 0.000 0.482 855 S N -1.885 113.427 115.700 -0.647 0.000 2.703 855 S HA 0.735 5.205 4.470 -0.001 0.000 0.273 855 S C -1.536 172.598 174.600 -0.777 0.000 1.178 855 S CA 0.326 58.148 58.200 -0.630 0.000 0.838 855 S CB 1.326 64.221 63.200 -0.508 0.000 1.178 855 S HN 1.559 nan 8.310 nan 0.000 0.494 856 S N 1.589 116.527 115.700 -1.270 0.000 2.718 856 S HA 0.495 4.964 4.470 -0.001 0.000 0.294 856 S C 0.138 174.474 174.600 -0.440 0.000 1.157 856 S CA -0.643 57.097 58.200 -0.767 0.000 1.121 856 S CB 0.036 62.739 63.200 -0.829 0.000 1.015 856 S HN 0.578 nan 8.310 nan 0.000 0.479 857 L N 3.229 124.336 121.223 -0.193 0.000 2.591 857 L HA 0.493 4.832 4.340 -0.001 0.000 0.228 857 L C 0.843 177.699 176.870 -0.024 0.000 1.133 857 L CA 0.229 55.038 54.840 -0.052 0.000 0.880 857 L CB 0.003 42.091 42.059 0.048 0.000 1.033 857 L HN 0.703 nan 8.230 nan 0.000 0.450 858 A N -1.233 121.561 122.820 -0.044 0.000 2.612 858 A HA 0.454 4.773 4.320 -0.001 0.000 0.293 858 A C -0.462 177.115 177.584 -0.013 0.000 1.075 858 A CA -0.441 51.590 52.037 -0.011 0.000 0.680 858 A CB 1.199 20.200 19.000 0.001 0.000 1.279 858 A HN -0.142 nan 8.150 nan 0.000 0.411 859 S N -0.149 115.558 115.700 0.012 0.000 2.558 859 S HA 0.394 4.863 4.470 -0.001 0.000 0.293 859 S C 1.538 176.152 174.600 0.023 0.000 1.292 859 S CA 1.901 60.116 58.200 0.025 0.000 1.063 859 S CB -0.066 63.154 63.200 0.033 0.000 0.831 859 S HN 2.659 nan 8.310 nan 0.000 0.499 860 G N 3.360 112.177 108.800 0.028 0.000 2.184 860 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.264 860 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.264 860 G C -0.133 174.758 174.900 -0.014 0.000 0.975 860 G CA 0.559 45.674 45.100 0.025 0.000 0.642 860 G HN 0.723 nan 8.290 nan 0.000 0.536 861 E N -0.587 119.589 120.200 -0.041 0.000 2.222 861 E HA 0.773 5.123 4.350 -0.001 0.000 0.267 861 E C -0.121 176.410 176.600 -0.115 0.000 0.963 861 E CA -0.751 55.601 56.400 -0.080 0.000 0.837 861 E CB 1.700 31.352 29.700 -0.081 0.000 1.183 861 E HN 0.245 nan 8.360 nan 0.000 0.403 862 L N 1.470 122.619 121.223 -0.125 0.000 2.388 862 L HA 0.485 4.825 4.340 -0.001 0.000 0.264 862 L C -0.612 176.178 176.870 -0.133 0.000 0.998 862 L CA -0.646 54.111 54.840 -0.139 0.000 0.817 862 L CB 2.040 44.048 42.059 -0.084 0.000 1.338 862 L HN 0.665 nan 8.230 nan 0.000 0.414 863 E N 2.645 122.759 120.200 -0.143 0.000 2.366 863 E HA 0.699 5.049 4.350 -0.001 0.000 0.278 863 E C -1.604 174.940 176.600 -0.093 0.000 0.923 863 E CA -0.834 55.513 56.400 -0.089 0.000 0.761 863 E CB 3.308 32.998 29.700 -0.016 0.000 1.231 863 E HN 0.536 nan 8.360 nan 0.000 0.443 864 I N 2.284 122.840 120.570 -0.025 0.000 2.610 864 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 864 I C -1.386 174.790 176.117 0.099 0.000 1.163 864 I CA -1.090 60.220 61.300 0.016 0.000 1.044 864 I CB 1.917 39.930 38.000 0.021 0.000 1.251 864 I HN 0.791 nan 8.210 nan 0.000 0.424 865 M N 6.286 125.982 119.600 0.161 0.000 2.228 865 M HA 0.208 4.688 4.480 -0.001 0.000 0.351 865 M C 0.592 176.985 176.300 0.156 0.000 1.233 865 M CA 0.671 56.072 55.300 0.168 0.000 1.129 865 M CB 0.878 33.548 32.600 0.117 0.000 1.604 865 M HN 0.583 nan 8.290 nan 0.000 0.457 866 Q N 1.410 121.336 119.800 0.209 0.000 2.304 866 Q HA 0.254 4.593 4.340 -0.001 0.000 0.204 866 Q C -0.244 175.958 176.000 0.337 0.000 0.936 866 Q CA 0.800 56.794 55.803 0.318 0.000 0.878 866 Q CB 0.400 29.356 28.738 0.363 0.000 0.983 866 Q HN 0.771 nan 8.270 nan 0.000 0.516 867 D N -0.892 119.636 120.400 0.215 0.000 2.671 867 D HA 0.299 4.938 4.640 -0.001 0.000 0.273 867 D C -1.434 174.933 176.300 0.112 0.000 1.264 867 D CA -0.496 53.609 54.000 0.174 0.000 0.788 867 D CB 1.432 42.325 40.800 0.156 0.000 1.324 867 D HN 0.033 nan 8.370 nan 0.000 0.424 868 R N 0.774 121.330 120.500 0.092 0.000 2.584 868 R HA 0.664 5.003 4.340 -0.001 0.000 0.276 868 R C -1.123 175.219 176.300 0.070 0.000 1.046 868 R CA -1.045 55.094 56.100 0.065 0.000 0.906 868 R CB 2.038 32.349 30.300 0.018 0.000 1.215 868 R HN 0.334 nan 8.270 nan 0.000 0.449 869 R N 3.819 124.358 120.500 0.065 0.000 2.451 869 R HA 0.488 4.827 4.340 -0.001 0.000 0.307 869 R C -1.492 174.842 176.300 0.056 0.000 0.965 869 R CA -0.586 55.550 56.100 0.060 0.000 0.865 869 R CB 1.306 31.638 30.300 0.053 0.000 1.174 869 R HN 0.719 nan 8.270 nan 0.000 0.455 870 L N 3.985 125.240 121.223 0.053 0.000 2.409 870 L HA 0.506 4.846 4.340 -0.001 0.000 0.272 870 L C 0.730 177.625 176.870 0.043 0.000 0.980 870 L CA -0.567 54.302 54.840 0.049 0.000 0.826 870 L CB 2.157 44.245 42.059 0.050 0.000 1.268 870 L HN 0.817 nan 8.230 nan 0.000 0.407 871 A N 1.625 124.467 122.820 0.037 0.000 2.067 871 A HA 0.118 4.438 4.320 -0.001 0.000 0.217 871 A C 0.972 178.573 177.584 0.030 0.000 1.156 871 A CA 0.740 52.796 52.037 0.032 0.000 0.683 871 A CB -0.005 19.012 19.000 0.027 0.000 0.808 871 A HN 0.607 nan 8.150 nan 0.000 0.455 872 S N -0.091 115.627 115.700 0.029 0.000 2.608 872 S HA 0.407 4.877 4.470 -0.001 0.000 0.291 872 S C -0.582 174.037 174.600 0.032 0.000 1.146 872 S CA -0.648 57.567 58.200 0.025 0.000 1.043 872 S CB 1.438 64.648 63.200 0.017 0.000 1.037 872 S HN 0.490 nan 8.310 nan 0.000 0.520 873 D N 0.399 120.818 120.400 0.031 0.000 2.341 873 D HA 0.204 4.844 4.640 -0.001 0.000 0.245 873 D C -0.097 176.219 176.300 0.026 0.000 1.106 873 D CA -0.343 53.683 54.000 0.043 0.000 0.905 873 D CB 0.666 41.490 40.800 0.041 0.000 1.202 873 D HN 0.505 nan 8.370 nan 0.000 0.426 874 D N 1.827 122.247 120.400 0.033 0.000 2.501 874 D HA 0.080 4.720 4.640 -0.001 0.000 0.226 874 D C -0.360 175.896 176.300 -0.073 0.000 1.198 874 D CA -0.290 53.695 54.000 -0.024 0.000 0.830 874 D CB -0.384 40.391 40.800 -0.041 0.000 1.014 874 D HN 0.689 nan 8.370 nan 0.000 0.496 875 E N -0.372 119.810 120.200 -0.030 0.000 2.957 875 E HA -0.194 4.155 4.350 -0.001 0.000 0.287 875 E C 0.301 176.855 176.600 -0.078 0.000 0.976 875 E CA 0.195 56.573 56.400 -0.037 0.000 0.907 875 E CB -0.704 28.971 29.700 -0.042 0.000 1.456 875 E HN 0.172 nan 8.360 nan 0.000 0.421 876 R N -0.659 119.763 120.500 -0.130 0.000 2.508 876 R HA 0.236 4.575 4.340 -0.001 0.000 0.300 876 R C 1.336 177.662 176.300 0.044 0.000 0.970 876 R CA 0.747 56.680 56.100 -0.278 0.000 1.102 876 R CB 1.184 30.831 30.300 -1.087 0.000 1.246 876 R HN 0.385 nan 8.270 nan 0.000 0.539 877 G N 0.726 109.659 108.800 0.221 0.000 2.211 877 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.201 877 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.201 877 G C 0.702 175.733 174.900 0.219 0.000 0.997 877 G CA 0.174 45.497 45.100 0.371 0.000 0.652 877 G HN 0.260 nan 8.290 nan 0.000 0.500 878 L N 1.518 122.952 121.223 0.351 0.000 2.109 878 L HA 0.468 4.808 4.340 -0.001 0.000 0.207 878 L C 2.173 179.046 176.870 0.004 0.000 1.086 878 L CA 2.731 57.671 54.840 0.166 0.000 0.760 878 L CB -0.601 41.699 42.059 0.401 0.000 0.910 878 L HN 1.674 nan 8.230 nan 0.000 0.437 879 G N -0.306 108.526 108.800 0.052 0.000 2.176 879 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.252 879 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.252 879 G C 0.043 174.954 174.900 0.019 0.000 1.024 879 G CA 0.617 45.725 45.100 0.014 0.000 0.755 879 G HN 0.794 nan 8.290 nan 0.000 0.507 880 Q N -1.930 117.897 119.800 0.044 0.000 2.578 880 Q HA 0.666 5.006 4.340 -0.001 0.000 0.284 880 Q C 0.400 176.434 176.000 0.057 0.000 0.960 880 Q CA -0.650 55.178 55.803 0.042 0.000 0.809 880 Q CB 0.512 29.273 28.738 0.039 0.000 1.462 880 Q HN 0.948 nan 8.270 nan 0.000 0.392 881 G N 0.109 108.938 108.800 0.048 0.000 2.494 881 G HA2 0.470 4.429 3.960 -0.001 0.000 0.270 881 G HA3 0.470 4.429 3.960 -0.001 0.000 0.270 881 G C -0.849 174.085 174.900 0.056 0.000 1.423 881 G CA -0.606 44.524 45.100 0.050 0.000 1.055 881 G HN 0.401 nan 8.290 nan 0.000 0.536 882 V N 0.850 120.797 119.914 0.056 0.000 2.289 882 V HA 0.335 4.454 4.120 -0.001 0.000 0.272 882 V C 0.094 176.225 176.094 0.062 0.000 1.026 882 V CA -0.123 62.217 62.300 0.066 0.000 0.807 882 V CB 0.748 32.613 31.823 0.070 0.000 1.044 882 V HN 0.535 nan 8.190 nan 0.000 0.443 883 L N 3.279 124.538 121.223 0.060 0.000 3.358 883 L HA 0.336 4.675 4.340 -0.001 0.000 0.301 883 L C 0.505 177.405 176.870 0.050 0.000 1.276 883 L CA 0.024 54.894 54.840 0.050 0.000 1.028 883 L CB 0.753 42.837 42.059 0.040 0.000 1.421 883 L HN 0.651 nan 8.230 nan 0.000 0.604 884 D N -2.286 118.152 120.400 0.064 0.000 2.559 884 D HA 0.062 4.702 4.640 -0.001 0.000 0.234 884 D C 0.125 176.465 176.300 0.067 0.000 1.226 884 D CA -0.475 53.563 54.000 0.064 0.000 0.830 884 D CB -0.358 40.491 40.800 0.081 0.000 1.028 884 D HN 0.061 nan 8.370 nan 0.000 0.492 885 N N 1.714 120.450 118.700 0.061 0.000 2.345 885 N HA 0.087 4.827 4.740 -0.001 0.000 0.243 885 N C 0.182 175.695 175.510 0.006 0.000 1.246 885 N CA 0.392 53.475 53.050 0.055 0.000 0.863 885 N CB 0.659 39.177 38.487 0.051 0.000 1.096 885 N HN 0.329 nan 8.380 nan 0.000 0.446 886 K N -0.142 120.244 120.400 -0.023 0.000 2.482 886 K HA 0.580 4.900 4.320 -0.001 0.000 0.257 886 K C -3.222 173.340 176.600 -0.064 0.000 0.969 886 K CA -2.076 54.151 56.287 -0.100 0.000 0.842 886 K CB 1.388 33.731 32.500 -0.262 0.000 1.359 886 K HN 0.124 nan 8.250 nan 0.000 0.441 887 P HA 0.003 nan 4.420 nan 0.000 0.265 887 P C -1.044 176.264 177.300 0.012 0.000 1.193 887 P CA -0.457 62.614 63.100 -0.049 0.000 0.765 887 P CB 0.831 32.491 31.700 -0.068 0.000 0.823 888 V N 5.245 125.133 119.914 -0.044 0.000 2.789 888 V HA 0.481 4.601 4.120 -0.001 0.000 0.311 888 V C -1.267 174.687 176.094 -0.233 0.000 1.073 888 V CA -1.115 61.135 62.300 -0.083 0.000 0.921 888 V CB 2.043 33.801 31.823 -0.109 0.000 1.009 888 V HN 0.282 nan 8.190 nan 0.000 0.426 889 L N 7.030 128.145 121.223 -0.180 0.000 2.270 889 L HA 0.588 4.927 4.340 -0.001 0.000 0.286 889 L C -0.365 176.469 176.870 -0.060 0.000 1.059 889 L CA 0.139 54.906 54.840 -0.121 0.000 0.839 889 L CB 0.325 42.336 42.059 -0.079 0.000 1.221 889 L HN 0.701 nan 8.230 nan 0.000 0.431 890 H N 5.732 124.808 119.070 0.011 0.000 2.610 890 H HA 0.480 5.035 4.556 -0.001 0.000 0.336 890 H C -0.097 175.117 175.328 -0.191 0.000 1.087 890 H CA -0.182 55.814 56.048 -0.085 0.000 1.405 890 H CB 1.224 31.003 29.762 0.029 0.000 1.460 890 H HN 0.699 nan 8.280 nan 0.000 0.538 891 I N 0.252 120.641 120.570 -0.301 0.000 2.689 891 I HA 0.607 4.777 4.170 -0.001 0.000 0.299 891 I C -1.427 174.326 176.117 -0.606 0.000 1.059 891 I CA -0.946 60.196 61.300 -0.263 0.000 1.055 891 I CB 2.165 40.109 38.000 -0.093 0.000 1.243 891 I HN 0.245 nan 8.210 nan 0.000 0.425 892 Y N 2.531 122.880 120.300 0.081 0.000 2.625 892 Y HA 0.695 5.245 4.550 -0.001 0.000 0.338 892 Y C -0.600 175.354 175.900 0.089 0.000 1.123 892 Y CA -1.081 57.074 58.100 0.091 0.000 1.046 892 Y CB 1.629 40.162 38.460 0.123 0.000 1.299 892 Y HN 0.420 nan 8.280 nan 0.000 0.464 893 R N 1.374 122.036 120.500 0.270 0.000 2.686 893 R HA 0.614 4.953 4.340 -0.001 0.000 0.286 893 R C -1.928 174.487 176.300 0.192 0.000 0.969 893 R CA -1.155 55.059 56.100 0.189 0.000 0.898 893 R CB 2.585 32.957 30.300 0.119 0.000 1.183 893 R HN 0.648 nan 8.270 nan 0.000 0.456 894 L N 2.274 123.590 121.223 0.156 0.000 2.342 894 L HA 0.440 4.780 4.340 -0.001 0.000 0.276 894 L C -1.235 175.669 176.870 0.057 0.000 0.997 894 L CA -0.549 54.360 54.840 0.115 0.000 0.838 894 L CB 1.828 43.972 42.059 0.141 0.000 1.224 894 L HN 0.311 nan 8.230 nan 0.000 0.416 895 V N 6.255 126.185 119.914 0.028 0.000 2.326 895 V HA 0.384 4.504 4.120 -0.001 0.000 0.281 895 V C -0.324 175.750 176.094 -0.033 0.000 1.015 895 V CA -0.575 61.722 62.300 -0.005 0.000 0.823 895 V CB 1.350 33.162 31.823 -0.019 0.000 1.009 895 V HN 0.631 nan 8.190 nan 0.000 0.436 896 L N 5.361 126.562 121.223 -0.037 0.000 2.292 896 L HA 0.657 4.997 4.340 -0.001 0.000 0.284 896 L C -0.092 176.746 176.870 -0.053 0.000 1.065 896 L CA 0.688 55.499 54.840 -0.049 0.000 0.806 896 L CB 0.969 42.998 42.059 -0.051 0.000 1.175 896 L HN 0.724 nan 8.230 nan 0.000 0.431 897 E N 3.870 124.033 120.200 -0.063 0.000 2.356 897 E HA 0.408 4.757 4.350 -0.001 0.000 0.275 897 E C -1.278 175.284 176.600 -0.063 0.000 0.904 897 E CA -1.144 55.215 56.400 -0.069 0.000 0.757 897 E CB 1.581 31.222 29.700 -0.098 0.000 1.232 897 E HN 0.249 nan 8.360 nan 0.000 0.442 898 K N 1.700 122.067 120.400 -0.055 0.000 2.276 898 K HA 0.180 4.499 4.320 -0.001 0.000 0.285 898 K C 0.379 176.944 176.600 -0.058 0.000 1.062 898 K CA -0.126 56.132 56.287 -0.048 0.000 0.918 898 K CB 1.261 33.738 32.500 -0.039 0.000 1.055 898 K HN 0.476 nan 8.250 nan 0.000 0.477 899 V N -0.066 119.814 119.914 -0.057 0.000 3.276 899 V HA 0.019 4.139 4.120 -0.001 0.000 0.319 899 V C 1.241 177.307 176.094 -0.048 0.000 1.427 899 V CA -0.288 61.971 62.300 -0.069 0.000 1.102 899 V CB -0.342 31.426 31.823 -0.091 0.000 1.020 899 V HN 0.575 nan 8.190 nan 0.000 0.456 900 N N 1.592 120.272 118.700 -0.034 0.000 2.289 900 N HA -0.178 4.562 4.740 -0.001 0.000 0.184 900 N C 1.040 176.534 175.510 -0.027 0.000 1.016 900 N CA 1.590 54.627 53.050 -0.023 0.000 0.872 900 N CB -0.543 37.935 38.487 -0.016 0.000 0.973 900 N HN 0.538 nan 8.380 nan 0.000 0.433 901 N N 0.107 118.786 118.700 -0.034 0.000 2.398 901 N HA 0.058 4.797 4.740 -0.001 0.000 0.188 901 N C -0.227 175.257 175.510 -0.043 0.000 1.122 901 N CA -0.058 52.971 53.050 -0.035 0.000 0.866 901 N CB 0.035 38.502 38.487 -0.034 0.000 0.970 901 N HN 0.218 nan 8.380 nan 0.000 0.462 902 c N 1.268 119.837 118.600 -0.052 0.000 2.601 902 c HA 0.264 4.834 4.570 -0.001 0.000 0.409 902 c C 1.028 175.085 174.090 -0.055 0.000 1.293 902 c CA -0.923 55.367 56.329 -0.064 0.000 2.101 902 c CB 0.857 43.316 42.510 -0.085 0.000 2.639 902 c HN 0.014 nan 8.230 nan 0.000 0.592 903 V N 5.557 125.435 119.914 -0.061 0.000 2.387 903 V HA 0.226 4.346 4.120 -0.001 0.000 0.260 903 V C 0.603 176.663 176.094 -0.057 0.000 1.054 903 V CA 0.352 62.620 62.300 -0.053 0.000 0.967 903 V CB -0.524 31.264 31.823 -0.059 0.000 1.036 903 V HN 0.798 nan 8.190 nan 0.000 0.481 904 R N 4.601 125.080 120.500 -0.035 0.000 2.758 904 R HA 0.553 4.893 4.340 -0.001 0.000 0.265 904 R C -2.459 173.835 176.300 -0.009 0.000 1.016 904 R CA -1.874 54.213 56.100 -0.021 0.000 1.040 904 R CB 1.164 31.458 30.300 -0.011 0.000 1.152 904 R HN 0.403 nan 8.270 nan 0.000 0.503 905 P HA -0.041 nan 4.420 nan 0.000 0.270 905 P C -0.407 176.932 177.300 0.063 0.000 1.223 905 P CA -0.188 62.895 63.100 -0.029 0.000 0.785 905 P CB 0.566 32.173 31.700 -0.156 0.000 0.923 906 S N 0.877 116.643 115.700 0.109 0.000 2.596 906 S HA 0.081 4.550 4.470 -0.001 0.000 0.260 906 S C 1.156 175.837 174.600 0.136 0.000 1.336 906 S CA -0.124 58.143 58.200 0.113 0.000 0.993 906 S CB 0.316 63.585 63.200 0.115 0.000 0.923 906 S HN 0.295 nan 8.310 nan 0.000 0.567 907 K N 0.249 120.710 120.400 0.102 0.000 2.281 907 K HA 0.053 4.372 4.320 -0.001 0.000 0.203 907 K C 1.452 178.109 176.600 0.095 0.000 1.046 907 K CA 1.326 57.670 56.287 0.095 0.000 0.938 907 K CB -0.459 32.081 32.500 0.066 0.000 0.737 907 K HN 0.576 nan 8.250 nan 0.000 0.458 908 L N -0.245 121.037 121.223 0.099 0.000 2.567 908 L HA 0.030 4.369 4.340 -0.001 0.000 0.225 908 L C 0.904 177.827 176.870 0.088 0.000 1.119 908 L CA -0.233 54.650 54.840 0.071 0.000 0.871 908 L CB -0.166 41.921 42.059 0.046 0.000 1.036 908 L HN 0.251 nan 8.230 nan 0.000 0.459 909 H N 2.554 121.662 119.070 0.064 0.000 2.683 909 H HA 0.097 4.653 4.556 -0.001 0.000 0.339 909 H C -1.717 173.653 175.328 0.070 0.000 1.081 909 H CA -1.392 54.707 56.048 0.084 0.000 1.432 909 H CB 1.850 31.689 29.762 0.128 0.000 1.462 909 H HN -0.089 nan 8.280 nan 0.000 0.557 910 P HA 0.138 nan 4.420 nan 0.000 0.249 910 P C -0.397 177.015 177.300 0.188 0.000 1.229 910 P CA 0.200 63.333 63.100 0.055 0.000 0.788 910 P CB 0.493 32.156 31.700 -0.062 0.000 1.072 911 A N -0.342 122.758 122.820 0.466 0.000 2.299 911 A HA 0.754 5.073 4.320 -0.001 0.000 0.332 911 A C 0.300 177.945 177.584 0.102 0.000 1.131 911 A CA -0.310 51.862 52.037 0.226 0.000 0.844 911 A CB 1.067 20.188 19.000 0.203 0.000 1.251 911 A HN 0.164 nan 8.150 nan 0.000 0.486 912 G N -1.449 107.282 108.800 -0.115 0.000 2.730 912 G HA2 0.641 4.601 3.960 -0.001 0.000 0.289 912 G HA3 0.641 4.601 3.960 -0.001 0.000 0.289 912 G C -1.771 172.748 174.900 -0.636 0.000 1.341 912 G CA -0.461 44.458 45.100 -0.303 0.000 0.932 912 G HN 0.564 nan 8.290 nan 0.000 0.481 913 Y N -0.936 119.331 120.300 -0.055 0.000 2.504 913 Y HA 0.463 5.013 4.550 -0.001 0.000 0.344 913 Y C 0.351 176.012 175.900 -0.400 0.000 1.023 913 Y CA -0.915 57.085 58.100 -0.166 0.000 1.020 913 Y CB 2.116 40.468 38.460 -0.180 0.000 1.282 913 Y HN 0.323 nan 8.280 nan 0.000 0.454 914 L N 2.187 123.237 121.223 -0.288 0.000 2.464 914 L HA 0.327 4.667 4.340 -0.001 0.000 0.264 914 L C 0.736 177.453 176.870 -0.255 0.000 1.199 914 L CA -0.470 54.122 54.840 -0.413 0.000 0.818 914 L CB 0.724 42.619 42.059 -0.274 0.000 1.102 914 L HN 0.774 nan 8.230 nan 0.000 0.473 915 T N -2.505 111.886 114.554 -0.272 0.000 2.816 915 T HA 0.049 4.398 4.350 -0.001 0.000 0.282 915 T C 1.167 175.816 174.700 -0.085 0.000 0.993 915 T CA -0.146 61.851 62.100 -0.172 0.000 0.994 915 T CB 1.480 70.243 68.868 -0.175 0.000 1.025 915 T HN 0.631 nan 8.240 nan 0.000 0.529 916 S N 0.697 116.361 115.700 -0.060 0.000 2.365 916 S HA -0.164 4.305 4.470 -0.001 0.000 0.225 916 S C 2.339 176.953 174.600 0.023 0.000 1.039 916 S CA 1.537 59.737 58.200 -0.001 0.000 1.033 916 S CB -1.248 61.937 63.200 -0.025 0.000 0.887 916 S HN 0.941 nan 8.310 nan 0.000 0.447 917 A N 1.124 123.933 122.820 -0.018 0.000 1.933 917 A HA 0.257 4.577 4.320 -0.001 0.000 0.218 917 A C 2.468 180.049 177.584 -0.004 0.000 1.175 917 A CA 1.825 53.854 52.037 -0.012 0.000 0.628 917 A CB -1.301 17.681 19.000 -0.029 0.000 0.814 917 A HN 0.826 nan 8.150 nan 0.000 0.444 918 A N -1.457 121.346 122.820 -0.029 0.000 1.929 918 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 918 A C 2.089 179.703 177.584 0.049 0.000 1.176 918 A CA 1.511 53.534 52.037 -0.023 0.000 0.628 918 A CB -0.889 18.038 19.000 -0.121 0.000 0.816 918 A HN 0.775 nan 8.150 nan 0.000 0.444 919 H N 0.047 119.102 119.070 -0.024 0.000 2.321 919 H HA -0.055 4.501 4.556 -0.001 0.000 0.300 919 H C 1.837 177.204 175.328 0.064 0.000 1.087 919 H CA 1.821 57.893 56.048 0.040 0.000 1.319 919 H CB -0.026 29.754 29.762 0.029 0.000 1.379 919 H HN 0.433 nan 8.280 nan 0.000 0.501 920 K N 0.182 120.556 120.400 -0.044 0.000 2.097 920 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 920 K C 2.381 178.953 176.600 -0.048 0.000 1.049 920 K CA 0.853 57.091 56.287 -0.083 0.000 0.933 920 K CB -0.023 32.474 32.500 -0.005 0.000 0.717 920 K HN 0.271 nan 8.250 nan 0.000 0.442 921 A N 0.747 123.562 122.820 -0.009 0.000 1.933 921 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 921 A C 2.183 179.777 177.584 0.018 0.000 1.175 921 A CA 1.987 54.033 52.037 0.015 0.000 0.628 921 A CB -0.613 18.409 19.000 0.036 0.000 0.814 921 A HN 0.277 nan 8.150 nan 0.000 0.444 922 S N -0.649 115.066 115.700 0.025 0.000 2.368 922 S HA -0.228 4.242 4.470 -0.001 0.000 0.225 922 S C 2.125 176.723 174.600 -0.004 0.000 1.030 922 S CA 1.668 59.899 58.200 0.051 0.000 0.999 922 S CB -0.406 62.872 63.200 0.130 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.659 120.410 119.800 -0.082 0.000 2.170 923 Q HA -0.095 4.245 4.340 -0.001 0.000 0.203 923 Q C 2.480 178.445 176.000 -0.059 0.000 0.976 923 Q CA 1.673 57.430 55.803 -0.077 0.000 0.858 923 Q CB -0.319 28.349 28.738 -0.117 0.000 0.907 923 Q HN 0.811 nan 8.270 nan 0.000 0.433 924 S N 0.237 115.910 115.700 -0.044 0.000 2.423 924 S HA -0.083 4.387 4.470 -0.001 0.000 0.231 924 S C 1.852 176.413 174.600 -0.064 0.000 1.014 924 S CA 0.680 58.853 58.200 -0.045 0.000 0.965 924 S CB -0.232 62.957 63.200 -0.018 0.000 0.785 924 S HN 0.285 nan 8.310 nan 0.000 0.495 925 L N 0.033 121.227 121.223 -0.048 0.000 2.102 925 L HA 0.209 4.549 4.340 -0.001 0.000 0.202 925 L C 2.552 179.366 176.870 -0.095 0.000 1.076 925 L CA 0.786 55.592 54.840 -0.057 0.000 0.761 925 L CB -0.396 41.647 42.059 -0.027 0.000 0.921 925 L HN 0.280 nan 8.230 nan 0.000 0.444 926 L N -1.165 120.007 121.223 -0.084 0.000 2.202 926 L HA 0.028 4.368 4.340 -0.001 0.000 0.205 926 L C 0.220 176.978 176.870 -0.186 0.000 1.083 926 L CA 0.805 55.582 54.840 -0.106 0.000 0.790 926 L CB 0.101 42.125 42.059 -0.059 0.000 0.942 926 L HN 0.217 nan 8.230 nan 0.000 0.452 927 D N 0.491 120.769 120.400 -0.202 0.000 2.613 927 D HA 0.228 4.868 4.640 -0.001 0.000 0.312 927 D C -2.337 173.766 176.300 -0.329 0.000 1.202 927 D CA -1.018 52.797 54.000 -0.307 0.000 0.825 927 D CB 1.259 42.072 40.800 0.021 0.000 1.113 927 D HN 0.068 nan 8.370 nan 0.000 0.502 928 P HA 0.085 nan 4.420 nan 0.000 0.273 928 P C 0.635 177.822 177.300 -0.188 0.000 1.250 928 P CA -0.460 62.492 63.100 -0.247 0.000 0.793 928 P CB 1.478 33.044 31.700 -0.224 0.000 1.011 929 L N 0.844 122.008 121.223 -0.098 0.000 2.514 929 L HA 0.044 4.384 4.340 -0.001 0.000 0.280 929 L C 0.947 177.810 176.870 -0.013 0.000 1.223 929 L CA 0.525 55.347 54.840 -0.031 0.000 0.864 929 L CB -0.378 41.673 42.059 -0.012 0.000 1.118 929 L HN 0.289 nan 8.230 nan 0.000 0.494 930 D N 3.327 123.781 120.400 0.091 0.000 2.264 930 D HA 0.318 4.958 4.640 -0.001 0.000 0.249 930 D C -0.297 175.991 176.300 -0.020 0.000 1.070 930 D CA -0.245 53.751 54.000 -0.006 0.000 0.912 930 D CB 1.585 42.418 40.800 0.055 0.000 1.193 930 D HN 0.375 nan 8.370 nan 0.000 0.427 931 K N 1.378 121.653 120.400 -0.208 0.000 2.345 931 K HA 0.453 4.773 4.320 -0.001 0.000 0.255 931 K C -1.026 175.499 176.600 -0.125 0.000 0.934 931 K CA -0.645 55.654 56.287 0.020 0.000 0.801 931 K CB 1.574 34.059 32.500 -0.026 0.000 1.137 931 K HN 0.225 nan 8.250 nan 0.000 0.424 932 F N 2.666 122.786 119.950 0.283 0.000 2.520 932 F HA 0.494 5.021 4.527 -0.001 0.000 0.322 932 F C 0.043 176.108 175.800 0.441 0.000 1.103 932 F CA -0.879 57.279 58.000 0.263 0.000 0.926 932 F CB 1.272 40.245 39.000 -0.045 0.000 1.154 932 F HN 0.199 nan 8.300 nan 0.000 0.453 933 I N 3.612 124.553 120.570 0.617 0.000 2.362 933 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 933 I C -0.538 175.875 176.117 0.493 0.000 0.994 933 I CA -0.830 60.766 61.300 0.492 0.000 1.158 933 I CB 1.209 39.400 38.000 0.318 0.000 1.315 933 I HN 0.431 nan 8.210 nan 0.000 0.451 934 F N 5.688 125.811 119.950 0.289 0.000 2.578 934 F HA 0.205 4.732 4.527 -0.001 0.000 0.376 934 F C 1.164 176.892 175.800 -0.121 0.000 1.085 934 F CA 0.094 57.981 58.000 -0.189 0.000 1.260 934 F CB 1.214 40.118 39.000 -0.161 0.000 1.095 934 F HN 0.587 nan 8.300 nan 0.000 0.573 935 A N 4.364 126.637 122.820 -0.913 0.000 2.030 935 A HA 0.114 4.433 4.320 -0.001 0.000 0.215 935 A C 0.896 178.218 177.584 -0.437 0.000 1.164 935 A CA 0.470 52.198 52.037 -0.516 0.000 0.697 935 A CB -0.232 18.448 19.000 -0.533 0.000 0.827 935 A HN 0.705 nan 8.150 nan 0.000 0.457 936 E N -0.653 119.140 120.200 -0.679 0.000 2.405 936 E HA 0.216 4.566 4.350 -0.001 0.000 0.249 936 E C -0.024 176.670 176.600 0.157 0.000 1.028 936 E CA -0.833 55.474 56.400 -0.155 0.000 0.897 936 E CB 0.305 29.956 29.700 -0.082 0.000 1.262 936 E HN 0.151 nan 8.360 nan 0.000 0.442 937 N N 0.609 119.417 118.700 0.181 0.000 2.216 937 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 937 N C -0.030 175.641 175.510 0.268 0.000 1.017 937 N CA 0.964 54.136 53.050 0.204 0.000 0.861 937 N CB 0.322 38.886 38.487 0.129 0.000 0.986 937 N HN 0.447 nan 8.380 nan 0.000 0.428 938 E N -0.622 119.759 120.200 0.301 0.000 2.246 938 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 938 E C -1.491 175.248 176.600 0.232 0.000 0.880 938 E CA -0.693 55.827 56.400 0.200 0.000 0.762 938 E CB 1.222 30.993 29.700 0.119 0.000 1.180 938 E HN 0.005 nan 8.360 nan 0.000 0.416 939 W N 7.608 128.636 121.300 -0.454 0.000 2.316 939 W HA 0.386 5.046 4.660 -0.001 0.000 0.339 939 W C -1.336 174.991 176.519 -0.320 0.000 1.002 939 W CA -1.330 55.582 57.345 -0.722 0.000 1.465 939 W CB -0.234 28.264 29.460 -1.604 0.000 1.300 939 W HN 0.438 nan 8.180 nan 0.000 0.378 940 I N 5.553 126.230 120.570 0.179 0.000 2.529 940 I HA 0.357 4.526 4.170 -0.001 0.000 0.284 940 I C 1.483 177.597 176.117 -0.005 0.000 1.082 940 I CA 1.069 62.393 61.300 0.040 0.000 1.406 940 I CB 0.823 38.871 38.000 0.080 0.000 1.405 940 I HN 0.755 nan 8.210 nan 0.000 0.548 941 G N 3.970 112.684 108.800 -0.142 0.000 2.176 941 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.253 941 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.253 941 G C 0.443 175.113 174.900 -0.382 0.000 0.979 941 G CA -0.135 44.871 45.100 -0.157 0.000 0.641 941 G HN 1.032 nan 8.290 nan 0.000 0.530 942 A N -0.331 121.999 122.820 -0.817 0.000 2.531 942 A HA 0.569 4.889 4.320 -0.001 0.000 0.236 942 A C 0.546 177.717 177.584 -0.688 0.000 1.062 942 A CA 0.891 52.088 52.037 -1.399 0.000 0.760 942 A CB 0.238 18.034 19.000 -2.007 0.000 0.995 942 A HN 0.632 nan 8.150 nan 0.000 0.501 943 Q N 0.383 119.847 119.800 -0.559 0.000 2.351 943 Q HA 0.529 4.869 4.340 -0.001 0.000 0.273 943 Q C 1.038 176.918 176.000 -0.199 0.000 1.077 943 Q CA -0.209 55.432 55.803 -0.271 0.000 0.843 943 Q CB 1.988 30.635 28.738 -0.152 0.000 1.367 943 Q HN 0.804 nan 8.270 nan 0.000 0.449 944 G N 0.048 108.770 108.800 -0.130 0.000 2.683 944 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.213 944 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.213 944 G C 0.159 175.030 174.900 -0.048 0.000 1.142 944 G CA 0.526 45.566 45.100 -0.099 0.000 0.793 944 G HN 0.426 nan 8.290 nan 0.000 0.534 945 Q N -1.350 118.436 119.800 -0.023 0.000 2.527 945 Q HA 0.522 4.861 4.340 -0.001 0.000 0.280 945 Q C -2.369 173.649 176.000 0.029 0.000 0.977 945 Q CA -0.922 54.882 55.803 0.002 0.000 0.837 945 Q CB 2.202 30.927 28.738 -0.021 0.000 1.454 945 Q HN 0.046 nan 8.270 nan 0.000 0.387 946 F N 1.046 120.896 119.950 -0.166 0.000 2.569 946 F HA 0.646 5.172 4.527 -0.001 0.000 0.312 946 F C 0.500 176.039 175.800 -0.435 0.000 1.109 946 F CA 0.455 58.290 58.000 -0.276 0.000 0.919 946 F CB 2.088 40.934 39.000 -0.258 0.000 1.211 946 F HN 0.673 nan 8.300 nan 0.000 0.446 947 G N 3.025 110.851 108.800 -1.624 0.000 2.141 947 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.231 947 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.231 947 G C 1.013 175.229 174.900 -1.141 0.000 0.984 947 G CA 0.249 44.090 45.100 -2.098 0.000 0.660 947 G HN 1.569 nan 8.290 nan 0.000 0.525 948 G N 1.049 109.477 108.800 -0.620 0.000 2.470 948 G HA2 0.048 4.007 3.960 -0.001 0.000 0.220 948 G HA3 0.048 4.007 3.960 -0.001 0.000 0.220 948 G C 1.215 176.047 174.900 -0.114 0.000 1.121 948 G CA 1.721 46.682 45.100 -0.231 0.000 0.766 948 G HN 0.821 nan 8.290 nan 0.000 0.553 949 D N -0.735 119.523 120.400 -0.238 0.000 2.340 949 D HA 0.015 4.654 4.640 -0.001 0.000 0.217 949 D C 0.296 176.591 176.300 -0.008 0.000 1.081 949 D CA -0.505 53.447 54.000 -0.079 0.000 0.842 949 D CB -0.905 39.855 40.800 -0.068 0.000 0.934 949 D HN 0.449 nan 8.370 nan 0.000 0.511 950 H N 1.205 120.156 119.070 -0.199 0.000 2.848 950 H HA 0.211 4.767 4.556 -0.001 0.000 0.341 950 H C -1.974 173.310 175.328 -0.073 0.000 1.060 950 H CA -1.656 54.300 56.048 -0.154 0.000 1.444 950 H CB 0.561 30.178 29.762 -0.242 0.000 1.446 950 H HN 0.011 nan 8.280 nan 0.000 0.583 951 P HA -0.044 nan 4.420 nan 0.000 0.268 951 P C -0.593 176.753 177.300 0.077 0.000 1.205 951 P CA -0.011 63.132 63.100 0.072 0.000 0.771 951 P CB 0.780 32.501 31.700 0.034 0.000 0.858 952 S N 2.083 117.856 115.700 0.122 0.000 2.434 952 S HA 0.583 5.053 4.470 -0.001 0.000 0.318 952 S C -0.008 174.666 174.600 0.123 0.000 1.062 952 S CA -0.577 57.726 58.200 0.173 0.000 1.116 952 S CB -0.701 62.716 63.200 0.361 0.000 0.977 952 S HN 0.494 nan 8.310 nan 0.000 0.480 953 A N 4.459 127.353 122.820 0.123 0.000 2.313 953 A HA 0.511 4.831 4.320 -0.001 0.000 0.261 953 A C 0.569 178.199 177.584 0.076 0.000 1.090 953 A CA -0.559 51.528 52.037 0.083 0.000 0.807 953 A CB 0.224 19.280 19.000 0.093 0.000 1.055 953 A HN 0.902 nan 8.150 nan 0.000 0.492 954 R N -0.043 120.472 120.500 0.025 0.000 2.697 954 R HA -0.035 4.305 4.340 -0.001 0.000 0.265 954 R C 1.381 177.686 176.300 0.007 0.000 1.009 954 R CA 0.933 57.030 56.100 -0.005 0.000 1.099 954 R CB 0.326 30.612 30.300 -0.023 0.000 0.965 954 R HN 0.918 nan 8.270 nan 0.000 0.428 955 E N 1.728 121.898 120.200 -0.051 0.000 2.265 955 E HA -0.212 4.138 4.350 -0.001 0.000 0.196 955 E C 0.265 176.897 176.600 0.052 0.000 0.996 955 E CA 1.442 57.792 56.400 -0.084 0.000 0.832 955 E CB -0.018 29.612 29.700 -0.117 0.000 0.756 955 E HN 0.729 nan 8.360 nan 0.000 0.491 956 D N 0.633 121.027 120.400 -0.009 0.000 2.340 956 D HA 0.003 4.642 4.640 -0.001 0.000 0.220 956 D C 0.368 176.668 176.300 0.000 0.000 1.039 956 D CA -0.132 53.820 54.000 -0.079 0.000 0.866 956 D CB -0.019 40.676 40.800 -0.175 0.000 0.913 956 D HN 0.167 nan 8.370 nan 0.000 0.523 957 L N 0.774 122.043 121.223 0.076 0.000 2.322 957 L HA 0.525 4.865 4.340 -0.001 0.000 0.279 957 L C -1.086 175.912 176.870 0.214 0.000 1.036 957 L CA -0.436 54.468 54.840 0.106 0.000 0.807 957 L CB 1.662 43.769 42.059 0.080 0.000 1.226 957 L HN -0.214 nan 8.230 nan 0.000 0.433 958 D N 2.257 122.804 120.400 0.245 0.000 2.671 958 D HA 0.356 4.995 4.640 -0.001 0.000 0.232 958 D C -1.334 175.126 176.300 0.268 0.000 1.114 958 D CA -0.275 53.893 54.000 0.280 0.000 0.858 958 D CB 2.395 43.409 40.800 0.357 0.000 1.544 958 D HN 0.232 nan 8.370 nan 0.000 0.471 959 V N 3.484 123.533 119.914 0.225 0.000 2.267 959 V HA 0.124 4.243 4.120 -0.001 0.000 0.254 959 V C 1.313 177.543 176.094 0.226 0.000 1.144 959 V CA 0.004 62.448 62.300 0.240 0.000 0.992 959 V CB 0.398 32.349 31.823 0.213 0.000 1.199 959 V HN 0.583 nan 8.190 nan 0.000 0.493 960 S N 3.079 118.942 115.700 0.272 0.000 2.382 960 S HA -0.013 4.457 4.470 -0.001 0.000 0.228 960 S C 0.675 175.333 174.600 0.096 0.000 1.027 960 S CA 0.866 59.181 58.200 0.192 0.000 0.991 960 S CB 0.173 63.545 63.200 0.286 0.000 0.823 960 S HN 0.499 nan 8.310 nan 0.000 0.469 961 V N 1.492 121.502 119.914 0.159 0.000 2.760 961 V HA 0.537 4.657 4.120 -0.001 0.000 0.309 961 V C -0.740 175.428 176.094 0.123 0.000 1.077 961 V CA -0.577 61.792 62.300 0.116 0.000 0.910 961 V CB 1.900 33.816 31.823 0.155 0.000 1.008 961 V HN 0.368 nan 8.190 nan 0.000 0.424 962 M N 5.459 125.051 119.600 -0.014 0.000 2.204 962 M HA 0.691 5.170 4.480 -0.001 0.000 0.293 962 M C -1.075 175.056 176.300 -0.281 0.000 0.994 962 M CA -0.509 54.650 55.300 -0.236 0.000 0.925 962 M CB 1.563 34.029 32.600 -0.223 0.000 1.577 962 M HN 0.749 nan 8.290 nan 0.000 0.439 963 R N 4.103 124.366 120.500 -0.396 0.000 2.510 963 R HA 0.420 4.759 4.340 -0.001 0.000 0.287 963 R C -1.413 174.655 176.300 -0.387 0.000 1.084 963 R CA -0.681 55.238 56.100 -0.302 0.000 0.934 963 R CB 1.803 32.006 30.300 -0.161 0.000 1.201 963 R HN 0.906 nan 8.270 nan 0.000 0.431 964 R N 4.530 124.858 120.500 -0.286 0.000 2.442 964 R HA 0.126 4.466 4.340 -0.001 0.000 0.291 964 R C 0.190 176.377 176.300 -0.188 0.000 1.069 964 R CA 0.112 56.072 56.100 -0.233 0.000 1.022 964 R CB 0.602 30.820 30.300 -0.136 0.000 0.976 964 R HN 0.704 nan 8.270 nan 0.000 0.443 965 L N 3.042 124.147 121.223 -0.197 0.000 2.616 965 L HA 0.146 4.486 4.340 -0.001 0.000 0.229 965 L C 0.272 177.086 176.870 -0.093 0.000 1.110 965 L CA 0.041 54.783 54.840 -0.162 0.000 0.884 965 L CB 0.497 42.426 42.059 -0.217 0.000 1.115 965 L HN 0.703 nan 8.230 nan 0.000 0.481 966 T N -2.679 111.832 114.554 -0.072 0.000 2.887 966 T HA 0.455 4.804 4.350 -0.001 0.000 0.288 966 T C -0.232 174.458 174.700 -0.017 0.000 1.021 966 T CA -0.914 61.163 62.100 -0.040 0.000 1.000 966 T CB 2.443 71.294 68.868 -0.029 0.000 1.034 966 T HN -0.089 nan 8.240 nan 0.000 0.467 967 K N 0.856 121.253 120.400 -0.005 0.000 2.118 967 K HA 0.323 4.643 4.320 -0.001 0.000 0.240 967 K C 1.676 178.289 176.600 0.022 0.000 1.035 967 K CA -0.207 56.089 56.287 0.015 0.000 0.899 967 K CB 0.420 32.928 32.500 0.014 0.000 1.085 967 K HN 0.792 nan 8.250 nan 0.000 0.498 968 S N -0.678 115.044 115.700 0.036 0.000 2.423 968 S HA -0.139 4.330 4.470 -0.001 0.000 0.231 968 S C 1.764 176.378 174.600 0.024 0.000 1.014 968 S CA 1.376 59.597 58.200 0.034 0.000 0.965 968 S CB -0.342 62.887 63.200 0.048 0.000 0.785 968 S HN 0.618 nan 8.310 nan 0.000 0.495 969 S N 1.494 117.206 115.700 0.021 0.000 2.561 969 S HA 0.456 4.926 4.470 -0.001 0.000 0.225 969 S C 0.785 175.391 174.600 0.010 0.000 0.977 969 S CA 0.011 58.221 58.200 0.017 0.000 0.926 969 S CB -0.614 62.596 63.200 0.017 0.000 0.769 969 S HN 0.759 nan 8.310 nan 0.000 0.533 970 A N 1.880 124.705 122.820 0.007 0.000 2.491 970 A HA 0.347 4.667 4.320 -0.001 0.000 0.261 970 A C 1.258 178.846 177.584 0.006 0.000 1.101 970 A CA -0.343 51.695 52.037 0.001 0.000 0.772 970 A CB 0.168 19.165 19.000 -0.005 0.000 1.043 970 A HN 0.477 nan 8.150 nan 0.000 0.501 971 K N 1.754 122.157 120.400 0.004 0.000 2.057 971 K HA -0.083 4.237 4.320 -0.001 0.000 0.207 971 K C 0.140 176.746 176.600 0.011 0.000 1.049 971 K CA 1.603 57.895 56.287 0.007 0.000 0.931 971 K CB -0.012 32.490 32.500 0.003 0.000 0.714 971 K HN 0.656 nan 8.250 nan 0.000 0.440 972 T N 2.487 117.044 114.554 0.004 0.000 2.781 972 T HA 0.172 4.522 4.350 -0.001 0.000 0.305 972 T C -0.787 173.922 174.700 0.016 0.000 1.001 972 T CA -0.610 61.495 62.100 0.007 0.000 0.950 972 T CB 1.306 70.167 68.868 -0.012 0.000 0.955 972 T HN 0.093 nan 8.240 nan 0.000 0.471 973 Q N 2.749 122.578 119.800 0.048 0.000 2.340 973 Q HA 0.404 4.744 4.340 -0.001 0.000 0.249 973 Q C 0.113 176.161 176.000 0.080 0.000 0.957 973 Q CA 0.044 55.877 55.803 0.051 0.000 0.882 973 Q CB 1.293 30.065 28.738 0.056 0.000 1.235 973 Q HN 0.550 nan 8.270 nan 0.000 0.439 974 R N 0.283 120.796 120.500 0.022 0.000 2.575 974 R HA 0.638 4.977 4.340 -0.001 0.000 0.293 974 R C -1.093 175.155 176.300 -0.087 0.000 0.983 974 R CA -0.649 55.448 56.100 -0.005 0.000 0.887 974 R CB 1.833 32.095 30.300 -0.062 0.000 1.184 974 R HN 0.252 nan 8.270 nan 0.000 0.445 975 V N 1.518 121.376 119.914 -0.094 0.000 2.588 975 V HA 0.617 4.737 4.120 -0.001 0.000 0.304 975 V C 0.226 176.037 176.094 -0.472 0.000 1.042 975 V CA -0.826 61.285 62.300 -0.315 0.000 0.877 975 V CB 2.021 33.665 31.823 -0.298 0.000 0.996 975 V HN 0.945 nan 8.190 nan 0.000 0.425 976 G N 2.882 111.200 108.800 -0.803 0.000 2.389 976 G HA2 0.677 4.636 3.960 -0.001 0.000 0.328 976 G HA3 0.677 4.636 3.960 -0.001 0.000 0.328 976 G C -1.695 172.772 174.900 -0.722 0.000 1.133 976 G CA -0.324 44.151 45.100 -1.041 0.000 0.891 976 G HN 0.504 nan 8.290 nan 0.000 0.485 977 Y N 0.193 120.588 120.300 0.158 0.000 2.442 977 Y HA 0.473 5.022 4.550 -0.001 0.000 0.344 977 Y C -0.153 176.019 175.900 0.453 0.000 0.976 977 Y CA -0.907 57.370 58.100 0.296 0.000 1.040 977 Y CB 2.766 41.366 38.460 0.233 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.149 125.358 119.914 0.493 0.000 2.370 978 V HA 0.408 4.527 4.120 -0.001 0.000 0.283 978 V C -0.328 175.993 176.094 0.378 0.000 1.023 978 V CA -0.746 61.767 62.300 0.354 0.000 0.857 978 V CB 1.227 33.211 31.823 0.269 0.000 0.985 978 V HN 0.592 nan 8.190 nan 0.000 0.443 979 L N 4.617 126.048 121.223 0.347 0.000 2.325 979 L HA 0.626 4.966 4.340 -0.001 0.000 0.278 979 L C -0.675 176.401 176.870 0.342 0.000 1.023 979 L CA -0.644 54.396 54.840 0.333 0.000 0.811 979 L CB 1.554 43.801 42.059 0.314 0.000 1.249 979 L HN 0.711 nan 8.230 nan 0.000 0.431 980 H N 2.942 122.162 119.070 0.250 0.000 2.782 980 H HA 0.445 5.000 4.556 -0.001 0.000 0.347 980 H C -1.215 174.203 175.328 0.149 0.000 1.038 980 H CA -0.650 55.519 56.048 0.201 0.000 1.255 980 H CB 1.520 31.475 29.762 0.321 0.000 1.623 980 H HN 0.475 nan 8.280 nan 0.000 0.525 981 R N 4.163 124.318 120.500 -0.575 0.000 2.387 981 R HA 0.351 4.691 4.340 -0.001 0.000 0.314 981 R C -0.337 175.535 176.300 -0.714 0.000 0.958 981 R CA -0.475 55.355 56.100 -0.450 0.000 0.846 981 R CB 1.371 31.537 30.300 -0.222 0.000 1.147 981 R HN 0.749 nan 8.270 nan 0.000 0.447 982 T N 1.487 115.775 114.554 -0.444 0.000 2.793 982 T HA 0.189 4.539 4.350 -0.001 0.000 0.299 982 T C -0.530 173.995 174.700 -0.291 0.000 1.038 982 T CA -0.453 61.479 62.100 -0.280 0.000 0.948 982 T CB 0.576 69.358 68.868 -0.142 0.000 1.231 982 T HN 0.679 nan 8.240 nan 0.000 0.538 983 N N 0.536 119.091 118.700 -0.242 0.000 2.399 983 N HA 0.473 5.212 4.740 -0.001 0.000 0.284 983 N C -1.468 173.882 175.510 -0.266 0.000 1.025 983 N CA -0.504 52.344 53.050 -0.337 0.000 0.885 983 N CB 0.711 38.843 38.487 -0.592 0.000 1.339 983 N HN 0.471 nan 8.380 nan 0.000 0.487 984 L N 2.694 123.758 121.223 -0.265 0.000 2.331 984 L HA 0.530 4.870 4.340 -0.001 0.000 0.275 984 L C 0.532 177.282 176.870 -0.200 0.000 1.022 984 L CA -0.946 53.772 54.840 -0.202 0.000 0.812 984 L CB 1.588 43.536 42.059 -0.185 0.000 1.257 984 L HN 0.406 nan 8.230 nan 0.000 0.435 985 M N 2.178 121.682 119.600 -0.161 0.000 2.245 985 M HA 0.080 4.560 4.480 -0.001 0.000 0.344 985 M C -0.103 176.116 176.300 -0.135 0.000 1.170 985 M CA 0.087 55.295 55.300 -0.153 0.000 1.135 985 M CB 0.478 32.993 32.600 -0.142 0.000 1.574 985 M HN 0.485 nan 8.290 nan 0.000 0.452 986 Q N 1.976 121.701 119.800 -0.125 0.000 2.314 986 Q HA 0.185 4.525 4.340 -0.001 0.000 0.257 986 Q C -0.308 175.642 176.000 -0.084 0.000 0.975 986 Q CA 0.045 55.789 55.803 -0.099 0.000 0.933 986 Q CB 0.982 29.665 28.738 -0.092 0.000 1.195 986 Q HN 0.811 nan 8.270 nan 0.000 0.426 987 c N 0.943 119.497 118.600 -0.076 0.000 2.976 987 c HA 0.339 4.909 4.570 -0.001 0.000 0.274 987 c C 1.244 175.302 174.090 -0.053 0.000 1.487 987 c CA 0.012 56.301 56.329 -0.067 0.000 1.789 987 c CB -0.430 42.035 42.510 -0.076 0.000 2.771 987 c HN 1.064 nan 8.230 nan 0.000 0.551 988 G N 1.534 110.305 108.800 -0.049 0.000 2.132 988 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.234 988 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.234 988 G C -0.046 174.832 174.900 -0.037 0.000 0.989 988 G CA 0.353 45.429 45.100 -0.040 0.000 0.676 988 G HN 0.461 nan 8.290 nan 0.000 0.522 989 T N 2.566 117.095 114.554 -0.041 0.000 2.728 989 T HA 0.504 4.854 4.350 -0.001 0.000 0.296 989 T C -1.786 172.895 174.700 -0.031 0.000 0.940 989 T CA -0.721 61.358 62.100 -0.035 0.000 1.013 989 T CB 1.563 70.409 68.868 -0.037 0.000 0.912 989 T HN 0.174 nan 8.240 nan 0.000 0.484 990 P HA 0.049 nan 4.420 nan 0.000 0.262 990 P C 0.105 177.395 177.300 -0.017 0.000 1.182 990 P CA -0.173 62.916 63.100 -0.019 0.000 0.761 990 P CB 0.381 32.072 31.700 -0.014 0.000 0.795 991 E N 3.080 123.271 120.200 -0.014 0.000 2.324 991 E HA 0.013 4.363 4.350 -0.001 0.000 0.271 991 E C -0.567 176.039 176.600 0.009 0.000 1.028 991 E CA -0.526 55.867 56.400 -0.010 0.000 0.890 991 E CB 0.391 30.085 29.700 -0.009 0.000 1.004 991 E HN 0.410 nan 8.360 nan 0.000 0.431 992 E N 4.584 124.787 120.200 0.004 0.000 2.166 992 E HA -0.002 4.347 4.350 -0.001 0.000 0.279 992 E C -0.064 176.560 176.600 0.040 0.000 1.095 992 E CA -0.348 56.064 56.400 0.020 0.000 0.888 992 E CB 0.354 30.053 29.700 -0.002 0.000 1.041 992 E HN 0.508 nan 8.360 nan 0.000 0.414 993 H N 3.816 122.880 119.070 -0.011 0.000 3.223 993 H HA -0.091 4.464 4.556 -0.001 0.000 0.287 993 H C -0.391 174.941 175.328 0.006 0.000 0.910 993 H CA 0.968 57.013 56.048 -0.006 0.000 1.406 993 H CB 0.443 30.200 29.762 -0.008 0.000 1.377 993 H HN 0.717 nan 8.280 nan 0.000 0.556 994 T N 2.103 116.314 114.554 -0.572 0.000 2.858 994 T HA 0.385 4.735 4.350 -0.001 0.000 0.285 994 T C -0.373 174.055 174.700 -0.453 0.000 1.052 994 T CA -1.149 60.727 62.100 -0.374 0.000 1.009 994 T CB 1.945 70.728 68.868 -0.141 0.000 1.241 994 T HN 0.632 nan 8.240 nan 0.000 0.542 995 Q N 0.474 120.159 119.800 -0.192 0.000 2.222 995 Q HA 0.406 4.746 4.340 -0.001 0.000 0.252 995 Q C -0.383 175.584 176.000 -0.055 0.000 0.926 995 Q CA -0.864 54.870 55.803 -0.115 0.000 0.899 995 Q CB 1.692 30.414 28.738 -0.026 0.000 1.250 995 Q HN 0.585 nan 8.270 nan 0.000 0.441 996 K N 2.017 122.397 120.400 -0.034 0.000 2.412 996 K HA 0.088 4.408 4.320 -0.001 0.000 0.281 996 K C -1.010 175.577 176.600 -0.022 0.000 1.027 996 K CA -0.286 55.987 56.287 -0.022 0.000 0.989 996 K CB 0.365 32.855 32.500 -0.017 0.000 0.935 996 K HN 0.419 nan 8.250 nan 0.000 0.475 997 L N 4.796 126.005 121.223 -0.022 0.000 2.265 997 L HA 0.276 4.615 4.340 -0.001 0.000 0.289 997 L C -1.125 175.702 176.870 -0.071 0.000 1.033 997 L CA -0.036 54.784 54.840 -0.032 0.000 0.814 997 L CB 1.181 43.233 42.059 -0.012 0.000 1.203 997 L HN 0.625 nan 8.230 nan 0.000 0.423 998 D N 3.603 123.954 120.400 -0.082 0.000 2.472 998 D HA 0.154 4.794 4.640 -0.001 0.000 0.234 998 D C 1.070 177.270 176.300 -0.168 0.000 1.088 998 D CA -0.291 53.640 54.000 -0.114 0.000 0.882 998 D CB 1.241 42.017 40.800 -0.040 0.000 1.037 998 D HN 0.393 nan 8.370 nan 0.000 0.520 999 V N 1.384 121.102 119.914 -0.327 0.000 2.720 999 V HA -0.156 3.964 4.120 -0.001 0.000 0.256 999 V C 2.103 177.889 176.094 -0.514 0.000 1.082 999 V CA 0.945 62.878 62.300 -0.611 0.000 1.101 999 V CB -1.064 30.107 31.823 -1.087 0.000 0.693 999 V HN 0.600 nan 8.190 nan 0.000 0.479 1000 c N 0.548 118.987 118.600 -0.269 0.000 2.456 1000 c HA 0.043 4.612 4.570 -0.001 0.000 0.279 1000 c C 2.085 176.083 174.090 -0.154 0.000 1.427 1000 c CA 1.125 57.368 56.329 -0.143 0.000 1.778 1000 c CB -1.782 40.635 42.510 -0.155 0.000 1.842 1000 c HN 0.760 nan 8.230 nan 0.000 0.531 1001 H N -0.964 118.084 119.070 -0.037 0.000 2.542 1001 H HA 0.261 4.817 4.556 -0.001 0.000 0.283 1001 H C 1.703 177.061 175.328 0.051 0.000 1.059 1001 H CA -0.013 56.054 56.048 0.032 0.000 1.162 1001 H CB 0.071 29.833 29.762 -0.001 0.000 1.539 1001 H HN 0.344 nan 8.280 nan 0.000 0.543 1002 L N -0.108 121.171 121.223 0.094 0.000 2.217 1002 L HA -0.007 4.333 4.340 -0.001 0.000 0.211 1002 L C 0.105 177.116 176.870 0.235 0.000 1.107 1002 L CA 0.837 55.758 54.840 0.135 0.000 0.783 1002 L CB 0.147 42.246 42.059 0.067 0.000 0.919 1002 L HN 0.208 nan 8.230 nan 0.000 0.442 1003 L N -0.111 121.213 121.223 0.168 0.000 2.331 1003 L HA 0.395 4.735 4.340 -0.001 0.000 0.275 1003 L C -2.104 174.818 176.870 0.086 0.000 1.022 1003 L CA -1.975 52.894 54.840 0.048 0.000 0.812 1003 L CB 1.454 43.306 42.059 -0.345 0.000 1.257 1003 L HN -0.211 nan 8.230 nan 0.000 0.435 1004 P HA 0.151 nan 4.420 nan 0.000 0.276 1004 P C -0.885 176.535 177.300 0.200 0.000 1.261 1004 P CA -0.320 62.855 63.100 0.124 0.000 0.800 1004 P CB 0.386 32.134 31.700 0.079 0.000 1.066 1005 N N -3.170 115.626 118.700 0.159 0.000 2.758 1005 N HA -0.150 4.590 4.740 -0.001 0.000 0.248 1005 N C 0.030 175.618 175.510 0.131 0.000 1.076 1005 N CA 0.116 53.246 53.050 0.133 0.000 0.696 1005 N CB -1.924 36.632 38.487 0.116 0.000 0.979 1005 N HN 0.268 nan 8.380 nan 0.000 0.550 1006 V N -0.064 119.882 119.914 0.053 0.000 2.655 1006 V HA 0.398 4.518 4.120 -0.001 0.000 0.300 1006 V C 1.171 177.154 176.094 -0.184 0.000 1.044 1006 V CA 1.113 63.261 62.300 -0.254 0.000 1.095 1006 V CB 1.261 32.842 31.823 -0.404 0.000 0.952 1006 V HN 0.416 nan 8.190 nan 0.000 0.485 1007 A N 6.909 129.596 122.820 -0.222 0.000 2.287 1007 A HA 0.496 4.816 4.320 -0.001 0.000 0.214 1007 A C 0.901 178.437 177.584 -0.080 0.000 1.228 1007 A CA 0.039 52.013 52.037 -0.105 0.000 0.939 1007 A CB 0.231 19.188 19.000 -0.073 0.000 0.992 1007 A HN 0.801 nan 8.150 nan 0.000 0.502 1008 R N -1.663 118.762 120.500 -0.126 0.000 2.634 1008 R HA 0.473 4.813 4.340 -0.001 0.000 0.263 1008 R C -2.334 173.936 176.300 -0.051 0.000 1.060 1008 R CA -0.329 55.758 56.100 -0.021 0.000 0.898 1008 R CB 1.330 31.611 30.300 -0.033 0.000 1.253 1008 R HN 0.284 nan 8.270 nan 0.000 0.461 1009 c N 2.699 121.331 118.600 0.052 0.000 2.431 1009 c HA 0.623 5.193 4.570 -0.001 0.000 0.321 1009 c C -1.161 173.029 174.090 0.166 0.000 1.202 1009 c CA -0.199 56.164 56.329 0.057 0.000 1.398 1009 c CB 1.244 43.751 42.510 -0.006 0.000 2.047 1009 c HN 0.921 nan 8.230 nan 0.000 0.465 1010 E N 2.892 123.206 120.200 0.190 0.000 2.266 1010 E HA 0.448 4.797 4.350 -0.001 0.000 0.268 1010 E C -0.939 175.840 176.600 0.298 0.000 0.879 1010 E CA -0.608 55.922 56.400 0.216 0.000 0.762 1010 E CB 1.850 31.633 29.700 0.138 0.000 1.199 1010 E HN 0.637 nan 8.360 nan 0.000 0.422 1011 R N 1.470 122.128 120.500 0.263 0.000 2.390 1011 R HA 0.317 4.657 4.340 -0.001 0.000 0.291 1011 R C -0.464 175.872 176.300 0.059 0.000 1.070 1011 R CA 0.102 56.282 56.100 0.134 0.000 1.014 1011 R CB 0.628 30.981 30.300 0.088 0.000 1.007 1011 R HN 0.693 nan 8.270 nan 0.000 0.466 1012 T N -0.258 114.305 114.554 0.014 0.000 2.888 1012 T HA 0.362 4.712 4.350 -0.001 0.000 0.288 1012 T C 0.145 174.831 174.700 -0.024 0.000 1.063 1012 T CA -0.763 61.365 62.100 0.046 0.000 1.010 1012 T CB 1.378 70.344 68.868 0.163 0.000 1.214 1012 T HN 0.621 nan 8.240 nan 0.000 0.533 1013 T N 0.088 114.631 114.554 -0.018 0.000 2.795 1013 T HA 0.204 4.554 4.350 -0.001 0.000 0.314 1013 T C 1.582 176.202 174.700 -0.132 0.000 1.069 1013 T CA -0.687 61.379 62.100 -0.057 0.000 1.071 1013 T CB -0.071 68.781 68.868 -0.028 0.000 0.988 1013 T HN 0.562 nan 8.240 nan 0.000 0.543 1014 L N 1.011 122.139 121.223 -0.158 0.000 2.362 1014 L HA -0.027 4.312 4.340 -0.001 0.000 0.219 1014 L C 2.841 179.413 176.870 -0.498 0.000 1.134 1014 L CA 1.373 56.047 54.840 -0.275 0.000 0.807 1014 L CB -1.010 40.976 42.059 -0.122 0.000 0.927 1014 L HN 0.985 nan 8.230 nan 0.000 0.447 1015 T N -4.703 109.668 114.554 -0.305 0.000 3.129 1015 T HA 0.022 4.372 4.350 -0.001 0.000 0.251 1015 T C 0.849 175.448 174.700 -0.170 0.000 1.117 1015 T CA -0.155 61.800 62.100 -0.241 0.000 1.034 1015 T CB -0.321 68.530 68.868 -0.029 0.000 0.968 1015 T HN 0.324 nan 8.240 nan 0.000 0.526 1016 F N -0.882 119.079 119.950 0.018 0.000 2.794 1016 F HA -0.217 4.309 4.527 -0.001 0.000 0.335 1016 F C 1.112 176.911 175.800 -0.002 0.000 0.653 1016 F CA 0.156 58.159 58.000 0.005 0.000 1.266 1016 F CB -2.111 36.887 39.000 -0.003 0.000 1.666 1016 F HN 0.207 nan 8.300 nan 0.000 0.314 1017 L N -0.517 120.775 121.223 0.115 0.000 2.529 1017 L HA 0.094 4.434 4.340 -0.001 0.000 0.223 1017 L C 0.985 177.876 176.870 0.036 0.000 1.113 1017 L CA 0.901 55.782 54.840 0.068 0.000 0.861 1017 L CB 0.186 42.268 42.059 0.039 0.000 1.012 1017 L HN 0.307 nan 8.230 nan 0.000 0.461 1018 Q N 0.409 120.230 119.800 0.035 0.000 2.347 1018 Q HA 0.276 4.616 4.340 -0.001 0.000 0.271 1018 Q C -1.161 174.856 176.000 0.029 0.000 1.064 1018 Q CA -0.736 55.076 55.803 0.015 0.000 0.800 1018 Q CB 1.944 30.677 28.738 -0.007 0.000 1.304 1018 Q HN 0.078 nan 8.270 nan 0.000 0.438 1019 N N 4.249 122.963 118.700 0.024 0.000 2.458 1019 N HA 0.195 4.935 4.740 -0.001 0.000 0.270 1019 N C 0.259 175.786 175.510 0.028 0.000 1.102 1019 N CA 0.187 53.259 53.050 0.036 0.000 0.967 1019 N CB 1.134 39.636 38.487 0.024 0.000 1.078 1019 N HN 0.638 nan 8.380 nan 0.000 0.471 1020 L N 0.453 121.698 121.223 0.037 0.000 2.537 1020 L HA 0.303 4.643 4.340 -0.001 0.000 0.224 1020 L C 0.620 177.519 176.870 0.049 0.000 1.065 1020 L CA 0.409 55.266 54.840 0.027 0.000 0.860 1020 L CB 0.361 42.426 42.059 0.010 0.000 1.086 1020 L HN 0.524 nan 8.230 nan 0.000 0.482 1021 E N -0.553 119.695 120.200 0.081 0.000 2.354 1021 E HA 0.134 4.483 4.350 -0.001 0.000 0.283 1021 E C -1.380 175.323 176.600 0.171 0.000 0.938 1021 E CA -0.573 55.891 56.400 0.108 0.000 0.777 1021 E CB 1.640 31.397 29.700 0.095 0.000 1.222 1021 E HN 0.100 nan 8.360 nan 0.000 0.423 1022 H N 5.761 124.857 119.070 0.043 0.000 2.604 1022 H HA 0.351 4.906 4.556 -0.001 0.000 0.306 1022 H C -0.832 174.521 175.328 0.041 0.000 1.075 1022 H CA -0.597 55.474 56.048 0.038 0.000 1.357 1022 H CB 0.668 30.442 29.762 0.021 0.000 1.426 1022 H HN 0.342 nan 8.280 nan 0.000 0.470 1023 L N 4.919 126.143 121.223 0.001 0.000 2.289 1023 L HA 0.119 4.458 4.340 -0.001 0.000 0.285 1023 L C 0.162 176.924 176.870 -0.180 0.000 1.049 1023 L CA -0.931 53.873 54.840 -0.060 0.000 0.804 1023 L CB 1.194 43.271 42.059 0.031 0.000 1.195 1023 L HN 0.676 nan 8.230 nan 0.000 0.428 1024 D N 2.645 122.956 120.400 -0.148 0.000 2.531 1024 D HA 0.125 4.764 4.640 -0.001 0.000 0.239 1024 D C 1.156 177.416 176.300 -0.066 0.000 1.144 1024 D CA 1.494 55.420 54.000 -0.123 0.000 0.869 1024 D CB 0.986 41.742 40.800 -0.074 0.000 1.160 1024 D HN 0.837 nan 8.370 nan 0.000 0.484 1025 G N 3.349 112.116 108.800 -0.053 0.000 2.155 1025 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.257 1025 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.257 1025 G C 0.834 175.773 174.900 0.066 0.000 0.983 1025 G CA 0.408 45.510 45.100 0.004 0.000 0.676 1025 G HN 0.657 nan 8.290 nan 0.000 0.528 1026 M N -2.650 116.963 119.600 0.022 0.000 2.612 1026 M HA -0.201 4.279 4.480 -0.001 0.000 0.194 1026 M C 0.206 176.550 176.300 0.074 0.000 0.530 1026 M CA 0.978 56.291 55.300 0.021 0.000 0.548 1026 M CB -1.876 30.706 32.600 -0.031 0.000 2.013 1026 M HN 0.226 nan 8.290 nan 0.000 0.711 1027 V N 0.737 120.682 119.914 0.051 0.000 2.427 1027 V HA 0.715 4.834 4.120 -0.001 0.000 0.286 1027 V C 0.642 176.669 176.094 -0.112 0.000 1.034 1027 V CA -0.306 62.006 62.300 0.020 0.000 0.893 1027 V CB 1.768 33.588 31.823 -0.005 0.000 0.982 1027 V HN 0.366 nan 8.190 nan 0.000 0.452 1028 A N 7.779 130.445 122.820 -0.257 0.000 2.279 1028 A HA 0.744 5.063 4.320 -0.001 0.000 0.306 1028 A C -2.453 174.850 177.584 -0.468 0.000 1.300 1028 A CA -1.505 50.136 52.037 -0.659 0.000 0.925 1028 A CB 0.122 18.414 19.000 -1.181 0.000 1.152 1028 A HN 0.638 nan 8.150 nan 0.000 0.544 1029 P HA 0.155 nan 4.420 nan 0.000 0.269 1029 P C -0.008 177.282 177.300 -0.017 0.000 1.215 1029 P CA -0.078 62.979 63.100 -0.072 0.000 0.780 1029 P CB 0.574 32.298 31.700 0.040 0.000 0.898 1030 E N -0.230 119.975 120.200 0.009 0.000 2.391 1030 E HA 0.279 4.628 4.350 -0.001 0.000 0.255 1030 E C -0.002 176.653 176.600 0.092 0.000 1.187 1030 E CA -0.812 55.623 56.400 0.058 0.000 0.941 1030 E CB 0.392 30.106 29.700 0.023 0.000 1.010 1030 E HN 0.282 nan 8.360 nan 0.000 0.458 1031 V N -1.965 118.002 119.914 0.088 0.000 2.975 1031 V HA 0.416 4.535 4.120 -0.001 0.000 0.318 1031 V C 0.033 176.133 176.094 0.010 0.000 1.077 1031 V CA -1.130 61.211 62.300 0.069 0.000 1.000 1031 V CB 1.335 33.205 31.823 0.078 0.000 1.066 1031 V HN 0.754 nan 8.190 nan 0.000 0.452 1032 c N 2.282 120.883 118.600 0.000 0.000 2.580 1032 c HA 0.452 5.022 4.570 -0.001 0.000 0.371 1032 c C -2.113 171.925 174.090 -0.086 0.000 1.308 1032 c CA -0.336 55.975 56.329 -0.030 0.000 2.428 1032 c CB 0.006 42.515 42.510 -0.002 0.000 2.529 1032 c HN 0.807 nan 8.230 nan 0.000 0.657 1033 P HA 0.046 nan 4.420 nan 0.000 0.265 1033 P C 0.279 177.432 177.300 -0.245 0.000 1.193 1033 P CA 0.909 63.878 63.100 -0.218 0.000 0.765 1033 P CB 0.182 31.733 31.700 -0.248 0.000 0.823 1034 M N -1.234 118.170 119.600 -0.327 0.000 2.939 1034 M HA -0.183 4.296 4.480 -0.001 0.000 0.194 1034 M C -0.133 176.169 176.300 0.003 0.000 0.617 1034 M CA 1.404 56.496 55.300 -0.348 0.000 0.734 1034 M CB -2.051 30.015 32.600 -0.890 0.000 2.637 1034 M HN 0.412 nan 8.290 nan 0.000 0.316 1035 E N 0.363 120.560 120.200 -0.005 0.000 2.227 1035 E HA 0.726 5.076 4.350 -0.001 0.000 0.268 1035 E C 0.101 176.769 176.600 0.114 0.000 0.990 1035 E CA -0.131 56.343 56.400 0.122 0.000 0.856 1035 E CB 1.406 31.146 29.700 0.067 0.000 1.159 1035 E HN 0.135 nan 8.360 nan 0.000 0.401 1036 T N 0.446 115.083 114.554 0.137 0.000 2.921 1036 T HA 0.684 5.034 4.350 -0.001 0.000 0.297 1036 T C -0.911 173.803 174.700 0.024 0.000 1.013 1036 T CA -0.647 61.543 62.100 0.150 0.000 0.990 1036 T CB 1.582 70.555 68.868 0.175 0.000 1.023 1036 T HN 0.520 nan 8.240 nan 0.000 0.447 1037 A N 1.938 124.771 122.820 0.022 0.000 2.515 1037 A HA 1.007 5.327 4.320 -0.001 0.000 0.296 1037 A C -1.017 176.460 177.584 -0.178 0.000 1.094 1037 A CA -0.921 51.030 52.037 -0.143 0.000 0.718 1037 A CB 1.540 20.405 19.000 -0.225 0.000 1.307 1037 A HN 1.114 nan 8.150 nan 0.000 0.408 1038 A N 0.165 122.793 122.820 -0.320 0.000 2.374 1038 A HA 0.840 5.159 4.320 -0.001 0.000 0.317 1038 A C -1.472 175.913 177.584 -0.331 0.000 1.094 1038 A CA -0.378 51.580 52.037 -0.132 0.000 0.765 1038 A CB 0.776 19.730 19.000 -0.076 0.000 1.268 1038 A HN 0.863 nan 8.150 nan 0.000 0.438 1039 Y N -0.045 120.472 120.300 0.362 0.000 2.524 1039 Y HA 0.589 5.138 4.550 -0.001 0.000 0.347 1039 Y C -0.288 175.788 175.900 0.293 0.000 1.005 1039 Y CA -0.939 57.331 58.100 0.283 0.000 1.025 1039 Y CB 2.607 41.194 38.460 0.213 0.000 1.275 1039 Y HN 0.422 nan 8.280 nan 0.000 0.460 1040 V N 2.189 122.309 119.914 0.342 0.000 2.531 1040 V HA 0.461 4.580 4.120 -0.001 0.000 0.301 1040 V C -0.739 175.440 176.094 0.141 0.000 1.034 1040 V CA -0.925 61.466 62.300 0.152 0.000 0.865 1040 V CB 1.892 33.739 31.823 0.039 0.000 0.995 1040 V HN 0.826 nan 8.190 nan 0.000 0.424 1041 S N 3.312 119.100 115.700 0.148 0.000 2.489 1041 S HA 0.734 5.203 4.470 -0.001 0.000 0.291 1041 S C -0.242 174.297 174.600 -0.101 0.000 1.151 1041 S CA -0.601 57.615 58.200 0.027 0.000 1.082 1041 S CB 1.593 64.892 63.200 0.165 0.000 1.019 1041 S HN 0.574 nan 8.310 nan 0.000 0.492 1042 S N 2.411 117.923 115.700 -0.313 0.000 2.501 1042 S HA 0.539 5.008 4.470 -0.001 0.000 0.301 1042 S C -0.882 173.375 174.600 -0.572 0.000 1.096 1042 S CA -0.782 57.257 58.200 -0.268 0.000 1.063 1042 S CB 0.529 63.646 63.200 -0.138 0.000 1.042 1042 S HN 0.789 nan 8.310 nan 0.000 0.494 1043 H N 0.471 119.526 119.070 -0.026 0.000 2.667 1043 H HA 0.332 4.887 4.556 -0.001 0.000 0.353 1043 H C -0.483 174.837 175.328 -0.014 0.000 1.072 1043 H CA -0.475 55.561 56.048 -0.020 0.000 1.214 1043 H CB 1.852 31.604 29.762 -0.016 0.000 1.600 1043 H HN 0.568 nan 8.280 nan 0.000 0.527 1044 S N 2.309 118.054 115.700 0.075 0.000 2.533 1044 S HA 0.271 4.740 4.470 -0.001 0.000 0.282 1044 S C 0.316 174.952 174.600 0.060 0.000 1.304 1044 S CA -0.225 58.005 58.200 0.049 0.000 1.063 1044 S CB 0.027 63.245 63.200 0.029 0.000 0.881 1044 S HN 0.764 nan 8.310 nan 0.000 0.493 1045 S N 0.000 115.725 115.700 0.042 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.220 58.200 0.033 0.000 1.107 1045 S CB 0.000 63.218 63.200 0.031 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517