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 3blb_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 WAIDPFGHSP 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 SSHS 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 0.000 174.102 174.090 0.020 0.000 1.270 31 c CA 0.000 56.336 56.329 0.011 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.011 0.000 2.134 32 Q N 1.416 121.243 119.800 0.046 0.000 2.364 32 Q HA 0.154 4.493 4.340 -0.001 0.000 0.267 32 Q C -0.253 175.777 176.000 0.049 0.000 0.999 32 Q CA 0.387 56.232 55.803 0.069 0.000 0.886 32 Q CB 0.791 29.608 28.738 0.132 0.000 1.243 32 Q HN 0.651 nan 8.270 nan 0.000 0.415 33 D N 1.672 122.102 120.400 0.051 0.000 2.295 33 D HA 0.063 4.703 4.640 -0.001 0.000 0.248 33 D C 0.486 176.831 176.300 0.076 0.000 1.154 33 D CA -0.262 53.749 54.000 0.018 0.000 0.857 33 D CB 1.356 42.165 40.800 0.016 0.000 1.117 33 D HN 0.380 nan 8.370 nan 0.000 0.468 34 V N 2.212 122.126 119.914 -0.000 0.000 3.649 34 V HA 0.089 4.209 4.120 -0.001 0.000 0.275 34 V C 1.093 177.239 176.094 0.087 0.000 1.281 34 V CA 0.144 62.503 62.300 0.098 0.000 1.143 34 V CB 0.174 31.880 31.823 -0.195 0.000 0.892 34 V HN 0.394 nan 8.190 nan 0.000 0.441 35 V N 0.006 119.886 119.914 -0.057 0.000 2.806 35 V HA 0.097 4.216 4.120 -0.001 0.000 0.239 35 V C 2.286 178.355 176.094 -0.042 0.000 1.113 35 V CA 1.239 63.458 62.300 -0.136 0.000 1.137 35 V CB 0.017 31.713 31.823 -0.210 0.000 0.865 35 V HN 0.485 nan 8.190 nan 0.000 0.482 36 Q N -0.276 119.550 119.800 0.043 0.000 2.356 36 Q HA 0.132 4.471 4.340 -0.001 0.000 0.205 36 Q C -0.513 175.568 176.000 0.136 0.000 0.901 36 Q CA 0.271 56.120 55.803 0.076 0.000 0.938 36 Q CB 0.615 29.371 28.738 0.030 0.000 1.081 36 Q HN 0.495 nan 8.270 nan 0.000 0.517 37 D N 1.160 121.675 120.400 0.191 0.000 2.453 37 D HA 0.180 4.820 4.640 -0.001 0.000 0.238 37 D C -0.722 175.693 176.300 0.191 0.000 1.088 37 D CA -0.283 53.813 54.000 0.160 0.000 0.854 37 D CB 2.177 43.050 40.800 0.122 0.000 1.076 37 D HN -0.174 nan 8.370 nan 0.000 0.533 38 V N 4.424 124.416 119.914 0.130 0.000 2.446 38 V HA 0.137 4.257 4.120 -0.001 0.000 0.276 38 V C -1.819 174.252 176.094 -0.038 0.000 1.030 38 V CA -1.111 61.185 62.300 -0.006 0.000 1.033 38 V CB 0.352 32.179 31.823 0.006 0.000 0.993 38 V HN 0.316 nan 8.190 nan 0.000 0.477 39 P HA 0.098 nan 4.420 nan 0.000 0.268 39 P C -0.434 176.836 177.300 -0.049 0.000 1.205 39 P CA -0.158 62.910 63.100 -0.054 0.000 0.771 39 P CB 0.338 31.988 31.700 -0.084 0.000 0.858 40 N N 2.744 121.431 118.700 -0.022 0.000 2.439 40 N HA 0.337 5.076 4.740 -0.001 0.000 0.249 40 N C -1.082 174.419 175.510 -0.015 0.000 1.003 40 N CA -0.445 52.594 53.050 -0.017 0.000 0.942 40 N CB 0.130 38.615 38.487 -0.002 0.000 1.115 40 N HN 0.130 nan 8.380 nan 0.000 0.505 41 V N 0.491 120.389 119.914 -0.027 0.000 2.914 41 V HA 0.523 4.643 4.120 -0.001 0.000 0.314 41 V C 0.536 176.615 176.094 -0.025 0.000 1.084 41 V CA -0.773 61.514 62.300 -0.021 0.000 0.963 41 V CB 2.072 33.871 31.823 -0.040 0.000 1.025 41 V HN 0.418 nan 8.190 nan 0.000 0.432 42 D N 1.171 121.564 120.400 -0.011 0.000 2.144 42 D HA 0.007 4.646 4.640 -0.001 0.000 0.200 42 D C 0.512 176.782 176.300 -0.050 0.000 0.978 42 D CA 1.623 55.613 54.000 -0.017 0.000 0.833 42 D CB 0.464 41.270 40.800 0.010 0.000 0.961 42 D HN 0.428 nan 8.370 nan 0.000 0.470 43 V N 1.528 121.391 119.914 -0.085 0.000 2.482 43 V HA 0.193 4.312 4.120 -0.001 0.000 0.295 43 V C -0.356 175.642 176.094 -0.161 0.000 1.026 43 V CA -0.745 61.474 62.300 -0.135 0.000 0.856 43 V CB 2.376 34.075 31.823 -0.206 0.000 1.001 43 V HN -0.083 nan 8.190 nan 0.000 0.424 44 Q N 4.648 124.365 119.800 -0.139 0.000 2.341 44 Q HA 0.430 4.769 4.340 -0.001 0.000 0.268 44 Q C 0.495 176.397 176.000 -0.163 0.000 1.013 44 Q CA -0.679 55.034 55.803 -0.149 0.000 0.798 44 Q CB 1.849 30.520 28.738 -0.112 0.000 1.253 44 Q HN 0.676 nan 8.270 nan 0.000 0.457 45 M N 3.017 122.474 119.600 -0.239 0.000 2.213 45 M HA -0.173 4.307 4.480 -0.001 0.000 0.263 45 M C 1.608 177.806 176.300 -0.169 0.000 1.062 45 M CA 1.003 56.151 55.300 -0.253 0.000 1.105 45 M CB -0.789 31.530 32.600 -0.469 0.000 1.385 45 M HN 0.557 nan 8.290 nan 0.000 0.417 46 L N 0.642 121.759 121.223 -0.176 0.000 2.093 46 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 46 L C 2.489 179.352 176.870 -0.012 0.000 1.085 46 L CA 1.778 56.547 54.840 -0.118 0.000 0.755 46 L CB -0.610 41.355 42.059 -0.157 0.000 0.904 46 L HN 0.261 nan 8.230 nan 0.000 0.435 47 E N -0.399 119.779 120.200 -0.035 0.000 2.072 47 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 47 E C 2.194 178.804 176.600 0.016 0.000 0.985 47 E CA 1.331 57.723 56.400 -0.013 0.000 0.801 47 E CB -0.267 29.411 29.700 -0.037 0.000 0.750 47 E HN 0.443 nan 8.360 nan 0.000 0.452 48 L N 0.526 121.757 121.223 0.014 0.000 2.012 48 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 48 L C 2.289 179.218 176.870 0.099 0.000 1.073 48 L CA 1.678 56.532 54.840 0.024 0.000 0.748 48 L CB -0.966 41.095 42.059 0.003 0.000 0.891 48 L HN 0.121 nan 8.230 nan 0.000 0.431 49 Y N -0.041 120.255 120.300 -0.005 0.000 2.207 49 Y HA -0.270 4.279 4.550 -0.001 0.000 0.287 49 Y C 2.561 178.550 175.900 0.150 0.000 1.156 49 Y CA 1.857 60.039 58.100 0.136 0.000 1.182 49 Y CB -0.620 37.928 38.460 0.145 0.000 0.979 49 Y HN 0.363 nan 8.280 nan 0.000 0.521 50 D N -0.615 119.895 120.400 0.183 0.000 2.178 50 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 50 D C 1.938 178.276 176.300 0.063 0.000 0.974 50 D CA 1.181 55.243 54.000 0.104 0.000 0.841 50 D CB 0.079 40.915 40.800 0.059 0.000 0.953 50 D HN 0.298 nan 8.370 nan 0.000 0.478 51 R N -1.008 119.511 120.500 0.031 0.000 2.140 51 R HA 0.211 4.550 4.340 -0.001 0.000 0.213 51 R C 0.881 177.153 176.300 -0.047 0.000 1.059 51 R CA -0.012 56.081 56.100 -0.011 0.000 1.000 51 R CB 0.028 30.308 30.300 -0.033 0.000 0.910 51 R HN 0.192 nan 8.270 nan 0.000 0.455 52 M N 1.070 120.606 119.600 -0.108 0.000 2.248 52 M HA -0.043 4.436 4.480 -0.001 0.000 0.337 52 M C 1.380 177.604 176.300 -0.126 0.000 1.121 52 M CA 0.290 55.428 55.300 -0.271 0.000 1.155 52 M CB 1.219 33.356 32.600 -0.772 0.000 1.514 52 M HN 0.066 nan 8.290 nan 0.000 0.452 53 S N 1.250 116.869 115.700 -0.135 0.000 2.503 53 S HA 0.091 4.561 4.470 -0.001 0.000 0.217 53 S C 0.654 175.361 174.600 0.179 0.000 0.999 53 S CA -0.224 58.000 58.200 0.040 0.000 0.914 53 S CB -0.198 63.002 63.200 0.001 0.000 0.782 53 S HN 0.766 nan 8.310 nan 0.000 0.520 54 F N 0.783 120.662 119.950 -0.119 0.000 3.084 54 F HA -0.149 4.377 4.527 -0.001 0.000 0.286 54 F C 0.173 175.984 175.800 0.019 0.000 0.855 54 F CA 0.421 58.358 58.000 -0.105 0.000 1.091 54 F CB -1.894 37.019 39.000 -0.146 0.000 1.177 54 F HN 0.120 nan 8.300 nan 0.000 0.542 55 K N 1.108 121.590 120.400 0.136 0.000 2.368 55 K HA 0.134 4.453 4.320 -0.001 0.000 0.282 55 K C 0.298 177.011 176.600 0.189 0.000 1.035 55 K CA -0.162 56.211 56.287 0.142 0.000 0.973 55 K CB 0.569 33.113 32.500 0.074 0.000 0.957 55 K HN 0.051 nan 8.250 nan 0.000 0.474 56 D N 3.681 124.208 120.400 0.212 0.000 2.631 56 D HA 0.109 4.749 4.640 -0.001 0.000 0.227 56 D C -0.072 176.279 176.300 0.085 0.000 1.146 56 D CA -0.419 53.710 54.000 0.215 0.000 1.009 56 D CB -0.598 40.334 40.800 0.220 0.000 1.057 56 D HN 0.497 nan 8.370 nan 0.000 0.509 57 I N -1.281 119.327 120.570 0.063 0.000 2.499 57 I HA 0.422 4.591 4.170 -0.001 0.000 0.296 57 I C 0.044 176.156 176.117 -0.009 0.000 0.992 57 I CA -0.836 60.478 61.300 0.022 0.000 1.297 57 I CB 1.390 39.401 38.000 0.019 0.000 1.410 57 I HN -0.132 nan 8.210 nan 0.000 0.507 58 D N 4.535 124.928 120.400 -0.012 0.000 2.346 58 D HA 0.161 4.801 4.640 -0.001 0.000 0.260 58 D C 0.971 177.261 176.300 -0.017 0.000 1.252 58 D CA 0.093 54.079 54.000 -0.022 0.000 0.895 58 D CB 1.443 42.237 40.800 -0.011 0.000 1.097 58 D HN 0.825 nan 8.370 nan 0.000 0.489 59 G N 2.437 111.211 108.800 -0.044 0.000 2.985 59 G HA2 0.414 4.374 3.960 -0.001 0.000 0.209 59 G HA3 0.414 4.374 3.960 -0.001 0.000 0.209 59 G C 0.895 175.801 174.900 0.010 0.000 1.165 59 G CA 0.389 45.468 45.100 -0.035 0.000 0.776 59 G HN 0.912 nan 8.290 nan 0.000 0.541 60 G N -0.639 108.170 108.800 0.014 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 1.165 176.088 174.900 0.038 0.000 1.217 60 G CA 0.674 45.794 45.100 0.033 0.000 1.002 60 G HN 1.084 nan 8.290 nan 0.000 0.574 61 V N -3.631 116.305 119.914 0.036 0.000 2.407 61 V HA 0.079 4.199 4.120 -0.001 0.000 0.248 61 V C 1.499 177.624 176.094 0.052 0.000 1.055 61 V CA 2.394 64.697 62.300 0.005 0.000 1.049 61 V CB -0.590 31.202 31.823 -0.052 0.000 0.662 61 V HN 1.381 nan 8.190 nan 0.000 0.455 62 W N 2.790 124.004 121.300 -0.143 0.000 2.430 62 W HA 0.409 5.068 4.660 -0.001 0.000 0.380 62 W C 1.190 177.677 176.519 -0.053 0.000 1.045 62 W CA -1.670 55.588 57.345 -0.145 0.000 1.547 62 W CB 0.042 29.387 29.460 -0.192 0.000 1.554 62 W HN 0.079 nan 8.180 nan 0.000 0.378 63 K N 2.584 123.071 120.400 0.146 0.000 2.152 63 K HA -0.189 4.130 4.320 -0.001 0.000 0.206 63 K C 0.834 177.359 176.600 -0.125 0.000 1.048 63 K CA 1.486 57.766 56.287 -0.011 0.000 0.933 63 K CB 0.140 32.628 32.500 -0.019 0.000 0.721 63 K HN 0.558 nan 8.250 nan 0.000 0.447 64 Q N -0.703 118.983 119.800 -0.190 0.000 2.188 64 Q HA 0.159 4.498 4.340 -0.001 0.000 0.212 64 Q C 0.766 176.423 176.000 -0.571 0.000 0.846 64 Q CA -0.355 55.311 55.803 -0.228 0.000 0.989 64 Q CB 1.325 30.060 28.738 -0.005 0.000 1.114 64 Q HN 0.226 nan 8.270 nan 0.000 0.488 65 G N 0.611 108.652 108.800 -1.266 0.000 3.392 65 G HA2 0.533 4.492 3.960 -0.001 0.000 0.185 65 G HA3 0.533 4.492 3.960 -0.001 0.000 0.185 65 G C -1.477 173.121 174.900 -0.504 0.000 1.206 65 G CA -0.334 43.718 45.100 -1.746 0.000 0.776 65 G HN 0.353 nan 8.290 nan 0.000 0.697 66 W N -1.417 119.613 121.300 -0.450 0.000 2.988 66 W HA 0.642 5.301 4.660 -0.001 0.000 0.355 66 W C -1.508 175.106 176.519 0.158 0.000 1.233 66 W CA -1.168 56.133 57.345 -0.074 0.000 1.176 66 W CB 0.672 30.100 29.460 -0.052 0.000 1.477 66 W HN 0.189 nan 8.180 nan 0.000 0.582 67 N N 2.122 120.974 118.700 0.254 0.000 2.402 67 N HA 0.226 4.966 4.740 -0.001 0.000 0.259 67 N C -0.281 175.364 175.510 0.225 0.000 1.167 67 N CA 0.004 53.156 53.050 0.169 0.000 0.949 67 N CB 0.259 38.847 38.487 0.168 0.000 1.212 67 N HN 0.410 nan 8.380 nan 0.000 0.493 68 I N 2.176 122.782 120.570 0.060 0.000 2.588 68 I HA 0.017 4.187 4.170 -0.001 0.000 0.283 68 I C 0.838 177.111 176.117 0.260 0.000 1.119 68 I CA 0.191 61.602 61.300 0.185 0.000 1.419 68 I CB 0.486 38.539 38.000 0.089 0.000 1.394 68 I HN 0.039 nan 8.210 nan 0.000 0.562 69 K N 6.227 126.814 120.400 0.312 0.000 2.259 69 K HA 0.549 4.868 4.320 -0.001 0.000 0.249 69 K C -1.063 175.691 176.600 0.256 0.000 0.942 69 K CA -0.720 55.678 56.287 0.185 0.000 0.816 69 K CB 2.430 35.010 32.500 0.134 0.000 1.155 69 K HN 0.530 nan 8.250 nan 0.000 0.428 70 Y N -2.055 118.331 120.300 0.143 0.000 2.588 70 Y HA 0.446 4.996 4.550 -0.001 0.000 0.343 70 Y C -0.793 175.175 175.900 0.114 0.000 1.065 70 Y CA -1.461 56.724 58.100 0.141 0.000 1.038 70 Y CB 1.185 39.748 38.460 0.171 0.000 1.297 70 Y HN 0.375 nan 8.280 nan 0.000 0.467 71 D N 3.814 124.361 120.400 0.245 0.000 2.313 71 D HA 0.294 4.934 4.640 -0.001 0.000 0.239 71 D C -1.644 174.820 176.300 0.272 0.000 1.142 71 D CA -2.759 51.329 54.000 0.147 0.000 0.847 71 D CB 1.594 42.453 40.800 0.100 0.000 1.082 71 D HN 0.446 nan 8.370 nan 0.000 0.480 72 P HA -0.120 nan 4.420 nan 0.000 0.221 72 P C 1.350 178.791 177.300 0.235 0.000 1.145 72 P CA 0.689 63.984 63.100 0.327 0.000 0.795 72 P CB 0.364 32.200 31.700 0.227 0.000 0.775 73 L N -0.570 120.741 121.223 0.147 0.000 2.599 73 L HA 0.067 4.407 4.340 -0.001 0.000 0.230 73 L C 2.658 179.564 176.870 0.060 0.000 1.141 73 L CA 0.459 55.359 54.840 0.101 0.000 0.877 73 L CB -0.675 41.422 42.059 0.063 0.000 1.009 73 L HN -0.021 nan 8.230 nan 0.000 0.447 74 K N 0.386 120.803 120.400 0.028 0.000 2.147 74 K HA -0.137 4.183 4.320 -0.001 0.000 0.205 74 K C -0.164 176.285 176.600 -0.251 0.000 1.049 74 K CA 1.070 57.257 56.287 -0.166 0.000 0.936 74 K CB 0.134 32.465 32.500 -0.282 0.000 0.722 74 K HN 0.073 nan 8.250 nan 0.000 0.446 75 Y N 0.944 121.365 120.300 0.201 0.000 2.360 75 Y HA 0.255 4.805 4.550 -0.000 0.000 0.337 75 Y C -0.092 175.891 175.900 0.138 0.000 1.039 75 Y CA -1.136 57.082 58.100 0.197 0.000 1.109 75 Y CB 1.431 39.958 38.460 0.111 0.000 1.201 75 Y HN 0.248 nan 8.280 nan 0.000 0.458 76 N N -0.399 118.458 118.700 0.261 0.000 3.243 76 N HA 0.550 5.290 4.740 -0.001 0.000 0.280 76 N C 0.183 175.730 175.510 0.062 0.000 1.545 76 N CA -0.440 52.691 53.050 0.136 0.000 0.854 76 N CB 0.416 38.971 38.487 0.113 0.000 1.612 76 N HN 0.448 nan 8.380 nan 0.000 0.577 77 A N -1.195 121.584 122.820 -0.068 0.000 1.986 77 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 77 A C 0.874 178.271 177.584 -0.312 0.000 1.171 77 A CA 1.386 53.281 52.037 -0.238 0.000 0.640 77 A CB -1.037 17.718 19.000 -0.407 0.000 0.811 77 A HN 0.694 nan 8.150 nan 0.000 0.451 78 H N -2.745 116.383 119.070 0.096 0.000 2.549 78 H HA 0.187 4.742 4.556 -0.001 0.000 0.279 78 H C -0.474 174.959 175.328 0.176 0.000 1.018 78 H CA 0.567 56.676 56.048 0.101 0.000 1.175 78 H CB 0.025 29.833 29.762 0.078 0.000 1.485 78 H HN 0.759 nan 8.280 nan 0.000 0.543 79 H N 0.324 119.473 119.070 0.132 0.000 2.750 79 H HA 0.279 4.835 4.556 -0.000 0.000 0.261 79 H C -0.811 174.654 175.328 0.228 0.000 1.387 79 H CA -0.456 55.687 56.048 0.158 0.000 1.557 79 H CB 0.259 30.103 29.762 0.137 0.000 1.756 79 H HN -0.047 nan 8.280 nan 0.000 0.580 80 K N 2.110 122.476 120.400 -0.055 0.000 2.090 80 K HA 0.327 4.646 4.320 -0.001 0.000 0.249 80 K C -0.714 175.702 176.600 -0.307 0.000 0.995 80 K CA -1.276 54.954 56.287 -0.094 0.000 0.914 80 K CB 1.620 34.048 32.500 -0.120 0.000 1.057 80 K HN 0.248 nan 8.250 nan 0.000 0.462 81 L N 2.191 123.090 121.223 -0.540 0.000 2.278 81 L HA 0.206 4.545 4.340 -0.001 0.000 0.287 81 L C -0.640 175.947 176.870 -0.471 0.000 1.072 81 L CA -0.116 54.287 54.840 -0.728 0.000 0.819 81 L CB 0.318 41.736 42.059 -1.069 0.000 1.176 81 L HN 0.348 nan 8.230 nan 0.000 0.435 82 K N 4.071 124.221 120.400 -0.417 0.000 2.248 82 K HA 0.545 4.864 4.320 -0.001 0.000 0.281 82 K C -1.456 174.786 176.600 -0.597 0.000 1.054 82 K CA -0.343 55.652 56.287 -0.486 0.000 0.903 82 K CB 0.952 33.212 32.500 -0.399 0.000 1.077 82 K HN 0.458 nan 8.250 nan 0.000 0.474 83 V N 5.979 125.428 119.914 -0.774 0.000 2.417 83 V HA 0.467 4.587 4.120 -0.001 0.000 0.291 83 V C -0.936 174.603 176.094 -0.924 0.000 1.024 83 V CA -0.716 61.086 62.300 -0.830 0.000 0.861 83 V CB 0.853 32.016 31.823 -1.100 0.000 0.985 83 V HN 0.583 nan 8.190 nan 0.000 0.436 84 F N 3.652 123.353 119.950 -0.416 0.000 2.375 84 F HA 0.511 5.037 4.527 -0.001 0.000 0.361 84 F C 0.158 175.782 175.800 -0.294 0.000 1.117 84 F CA -0.726 57.087 58.000 -0.312 0.000 1.037 84 F CB 1.782 40.668 39.000 -0.189 0.000 1.192 84 F HN 0.177 nan 8.300 nan 0.000 0.452 85 V N 5.058 124.947 119.914 -0.042 0.000 2.385 85 V HA 0.310 4.429 4.120 -0.001 0.000 0.269 85 V C -0.214 175.990 176.094 0.183 0.000 1.043 85 V CA -0.629 61.708 62.300 0.062 0.000 0.906 85 V CB 1.282 33.212 31.823 0.179 0.000 0.995 85 V HN 0.435 nan 8.190 nan 0.000 0.467 86 V N 8.382 128.349 119.914 0.088 0.000 2.293 86 V HA 0.316 4.435 4.120 -0.001 0.000 0.275 86 V C -2.362 173.774 176.094 0.071 0.000 1.021 86 V CA -1.930 60.389 62.300 0.032 0.000 0.815 86 V CB 1.448 33.202 31.823 -0.116 0.000 1.025 86 V HN 0.727 nan 8.190 nan 0.000 0.448 87 P HA 0.329 nan 4.420 nan 0.000 0.271 87 P C -0.860 176.463 177.300 0.038 0.000 1.216 87 P CA 0.250 63.342 63.100 -0.013 0.000 0.771 87 P CB 0.363 31.867 31.700 -0.326 0.000 0.864 88 H N -1.145 117.949 119.070 0.041 0.000 2.990 88 H HA 0.794 5.349 4.556 -0.001 0.000 0.336 88 H C -1.482 173.972 175.328 0.211 0.000 1.306 88 H CA -1.128 54.850 56.048 -0.117 0.000 1.118 88 H CB 0.990 30.608 29.762 -0.240 0.000 1.856 88 H HN 0.198 nan 8.280 nan 0.000 0.538 89 S N 0.681 116.421 115.700 0.067 0.000 2.776 89 S HA 0.210 4.679 4.470 -0.001 0.000 0.284 89 S C -1.851 172.686 174.600 -0.104 0.000 1.160 89 S CA -0.665 57.604 58.200 0.115 0.000 1.051 89 S CB 0.160 63.616 63.200 0.427 0.000 1.037 89 S HN 0.841 nan 8.310 nan 0.000 0.485 90 H N 4.434 123.412 119.070 -0.154 0.000 2.800 90 H HA 0.438 4.993 4.556 -0.001 0.000 0.291 90 H C -0.161 174.775 175.328 -0.654 0.000 1.076 90 H CA 0.218 56.084 56.048 -0.304 0.000 1.452 90 H CB 0.258 29.883 29.762 -0.227 0.000 1.461 90 H HN 0.561 nan 8.280 nan 0.000 0.488 91 N N 5.592 123.645 118.700 -1.078 0.000 2.564 91 N HA 0.066 4.805 4.740 -0.001 0.000 0.248 91 N C -1.184 173.873 175.510 -0.754 0.000 0.986 91 N CA -0.603 51.669 53.050 -1.297 0.000 0.921 91 N CB 1.085 39.111 38.487 -0.768 0.000 1.136 91 N HN 0.662 nan 8.380 nan 0.000 0.509 92 D N 2.558 122.532 120.400 -0.709 0.000 2.348 92 D HA 0.124 4.763 4.640 -0.001 0.000 0.253 92 D C -2.102 174.267 176.300 0.116 0.000 1.161 92 D CA -0.937 52.936 54.000 -0.211 0.000 0.876 92 D CB 1.574 42.486 40.800 0.186 0.000 1.160 92 D HN 0.185 nan 8.370 nan 0.000 0.459 93 P HA 0.209 nan 4.420 nan 0.000 0.226 93 P C -0.090 177.410 177.300 0.333 0.000 1.783 93 P CA -0.010 63.114 63.100 0.041 0.000 0.980 93 P CB 0.256 31.847 31.700 -0.181 0.000 1.967 94 G N 0.385 109.558 108.800 0.621 0.000 2.911 94 G HA2 0.018 3.978 3.960 -0.001 0.000 0.686 94 G HA3 0.018 3.978 3.960 -0.001 0.000 0.686 94 G C -1.120 174.314 174.900 0.890 0.000 1.136 94 G CA -0.650 44.841 45.100 0.651 0.000 0.764 94 G HN 0.355 nan 8.290 nan 0.000 0.626 95 W N 2.388 124.032 121.300 0.573 0.000 4.489 95 W HA 0.302 4.961 4.660 -0.001 0.000 0.161 95 W C 0.929 177.637 176.519 0.314 0.000 3.472 95 W CA 0.912 58.564 57.345 0.511 0.000 1.144 95 W CB -0.761 29.075 29.460 0.627 0.000 2.110 95 W HN 0.513 nan 8.180 nan 0.000 0.358 96 I N 1.942 122.567 120.570 0.093 0.000 3.030 96 I HA 0.133 4.303 4.170 -0.001 0.000 0.270 96 I C 0.394 176.428 176.117 -0.138 0.000 1.211 96 I CA 1.065 62.238 61.300 -0.212 0.000 1.479 96 I CB -1.225 36.617 38.000 -0.263 0.000 1.105 96 I HN 0.110 nan 8.210 nan 0.000 0.447 97 Q N 0.029 119.596 119.800 -0.388 0.000 2.416 97 Q HA 0.377 4.716 4.340 -0.001 0.000 0.279 97 Q C 0.150 175.922 176.000 -0.381 0.000 1.101 97 Q CA -0.633 54.874 55.803 -0.494 0.000 0.830 97 Q CB 2.140 30.298 28.738 -0.966 0.000 1.402 97 Q HN 0.238 nan 8.270 nan 0.000 0.445 98 T N -2.129 112.305 114.554 -0.199 0.000 2.766 98 T HA 0.108 4.458 4.350 -0.001 0.000 0.295 98 T C 0.820 175.605 174.700 0.142 0.000 1.024 98 T CA -0.449 61.605 62.100 -0.077 0.000 1.018 98 T CB 0.294 69.144 68.868 -0.031 0.000 1.002 98 T HN 0.566 nan 8.240 nan 0.000 0.532 99 F N 1.231 121.249 119.950 0.113 0.000 2.063 99 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 99 F C 2.494 178.471 175.800 0.296 0.000 1.109 99 F CA 2.456 60.592 58.000 0.226 0.000 1.212 99 F CB -0.356 38.672 39.000 0.047 0.000 0.973 99 F HN 0.775 nan 8.300 nan 0.000 0.480 100 E N 0.288 120.683 120.200 0.325 0.000 2.150 100 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 100 E C 1.999 178.641 176.600 0.071 0.000 0.985 100 E CA 1.613 58.150 56.400 0.228 0.000 0.814 100 E CB -0.255 29.581 29.700 0.226 0.000 0.752 100 E HN 0.616 nan 8.360 nan 0.000 0.466 101 E N -1.044 119.142 120.200 -0.023 0.000 2.047 101 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 101 E C 1.752 178.162 176.600 -0.318 0.000 0.987 101 E CA 1.116 57.349 56.400 -0.279 0.000 0.799 101 E CB -0.227 29.385 29.700 -0.148 0.000 0.752 101 E HN 0.333 nan 8.360 nan 0.000 0.449 102 Y N -0.575 119.681 120.300 -0.073 0.000 2.224 102 Y HA -0.243 4.306 4.550 -0.001 0.000 0.289 102 Y C 2.171 178.008 175.900 -0.106 0.000 1.146 102 Y CA 1.155 59.200 58.100 -0.093 0.000 1.182 102 Y CB -0.672 37.822 38.460 0.058 0.000 0.983 102 Y HN 0.194 nan 8.280 nan 0.000 0.524 103 Y N 0.807 121.115 120.300 0.013 0.000 2.145 103 Y HA -0.271 4.278 4.550 -0.001 0.000 0.286 103 Y C 2.260 178.118 175.900 -0.071 0.000 1.145 103 Y CA 1.858 59.922 58.100 -0.062 0.000 1.148 103 Y CB -0.317 38.106 38.460 -0.061 0.000 0.981 103 Y HN 0.041 nan 8.280 nan 0.000 0.507 104 Q N -0.713 118.981 119.800 -0.176 0.000 2.123 104 Q HA -0.146 4.193 4.340 -0.001 0.000 0.199 104 Q C 2.029 177.990 176.000 -0.066 0.000 0.966 104 Q CA 2.033 57.706 55.803 -0.218 0.000 0.845 104 Q CB -0.468 28.179 28.738 -0.151 0.000 0.907 104 Q HN 0.778 nan 8.270 nan 0.000 0.439 105 H N -0.843 118.248 119.070 0.036 0.000 2.497 105 H HA 0.071 4.626 4.556 -0.001 0.000 0.282 105 H C 0.902 176.325 175.328 0.158 0.000 1.003 105 H CA 0.579 56.682 56.048 0.091 0.000 1.307 105 H CB 0.725 30.503 29.762 0.027 0.000 1.437 105 H HN 0.184 nan 8.280 nan 0.000 0.544 106 D N -1.031 119.481 120.400 0.187 0.000 2.954 106 D HA 0.010 4.649 4.640 -0.001 0.000 0.266 106 D C 1.696 178.056 176.300 0.100 0.000 1.277 106 D CA 0.537 54.635 54.000 0.163 0.000 1.130 106 D CB 0.045 40.845 40.800 -0.000 0.000 1.440 106 D HN 0.064 nan 8.370 nan 0.000 0.427 107 T N 2.487 117.017 114.554 -0.041 0.000 2.821 107 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 107 T C 1.939 176.476 174.700 -0.272 0.000 1.046 107 T CA 1.419 63.454 62.100 -0.109 0.000 1.139 107 T CB -0.076 68.562 68.868 -0.383 0.000 0.871 107 T HN 0.241 nan 8.240 nan 0.000 0.454 108 K N 0.815 120.869 120.400 -0.576 0.000 2.209 108 K HA -0.154 4.166 4.320 -0.001 0.000 0.204 108 K C 1.916 178.261 176.600 -0.424 0.000 1.048 108 K CA 1.400 57.329 56.287 -0.597 0.000 0.940 108 K CB -0.358 31.556 32.500 -0.977 0.000 0.729 108 K HN 0.409 nan 8.250 nan 0.000 0.451 109 H N 0.984 119.987 119.070 -0.112 0.000 2.395 109 H HA 0.051 4.606 4.556 -0.001 0.000 0.299 109 H C 2.291 177.626 175.328 0.011 0.000 1.070 109 H CA 1.398 57.436 56.048 -0.016 0.000 1.356 109 H CB -0.146 29.630 29.762 0.024 0.000 1.401 109 H HN 0.193 nan 8.280 nan 0.000 0.524 110 I N 0.772 121.424 120.570 0.137 0.000 2.163 110 I HA -0.269 3.901 4.170 -0.001 0.000 0.243 110 I C 2.431 178.565 176.117 0.028 0.000 1.085 110 I CA 1.113 62.538 61.300 0.209 0.000 1.347 110 I CB -0.245 37.945 38.000 0.317 0.000 1.044 110 I HN 0.094 nan 8.210 nan 0.000 0.408 111 L N -0.449 120.571 121.223 -0.338 0.000 2.109 111 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 111 L C 2.673 179.196 176.870 -0.579 0.000 1.086 111 L CA 0.956 55.353 54.840 -0.739 0.000 0.760 111 L CB -0.453 40.614 42.059 -1.654 0.000 0.910 111 L HN 0.152 nan 8.230 nan 0.000 0.437 112 S N 0.062 115.548 115.700 -0.356 0.000 2.368 112 S HA -0.140 4.330 4.470 -0.001 0.000 0.225 112 S C 1.712 176.286 174.600 -0.043 0.000 1.030 112 S CA 1.321 59.546 58.200 0.041 0.000 0.999 112 S CB -0.249 63.038 63.200 0.144 0.000 0.844 112 S HN 0.452 nan 8.310 nan 0.000 0.459 113 N N 1.534 120.201 118.700 -0.056 0.000 2.354 113 N HA 0.118 4.857 4.740 -0.001 0.000 0.179 113 N C 1.713 176.894 175.510 -0.548 0.000 1.021 113 N CA 0.975 53.925 53.050 -0.168 0.000 0.887 113 N CB -0.501 38.010 38.487 0.039 0.000 0.974 113 N HN 0.389 nan 8.380 nan 0.000 0.437 114 A N 1.107 123.668 122.820 -0.432 0.000 1.898 114 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 114 A C 2.190 179.484 177.584 -0.483 0.000 1.181 114 A CA 0.887 52.482 52.037 -0.737 0.000 0.620 114 A CB -0.690 18.157 19.000 -0.255 0.000 0.819 114 A HN 0.220 nan 8.150 nan 0.000 0.442 115 L N 0.151 121.241 121.223 -0.221 0.000 2.012 115 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 115 L C 2.467 179.268 176.870 -0.116 0.000 1.073 115 L CA 2.554 57.343 54.840 -0.085 0.000 0.748 115 L CB -0.650 41.431 42.059 0.037 0.000 0.891 115 L HN 0.496 nan 8.230 nan 0.000 0.431 116 R N -1.742 118.661 120.500 -0.163 0.000 2.066 116 R HA -0.236 4.104 4.340 -0.001 0.000 0.232 116 R C 2.395 178.593 176.300 -0.171 0.000 1.131 116 R CA 1.887 57.908 56.100 -0.132 0.000 0.955 116 R CB -0.534 29.697 30.300 -0.114 0.000 0.851 116 R HN 0.550 nan 8.270 nan 0.000 0.432 117 H N 0.194 118.973 119.070 -0.485 0.000 2.357 117 H HA 0.010 4.566 4.556 -0.001 0.000 0.301 117 H C 2.054 177.157 175.328 -0.375 0.000 1.082 117 H CA 1.966 57.700 56.048 -0.524 0.000 1.342 117 H CB 0.002 29.152 29.762 -1.021 0.000 1.389 117 H HN 0.138 nan 8.280 nan 0.000 0.511 118 L N -0.721 120.313 121.223 -0.314 0.000 2.072 118 L HA -0.184 4.155 4.340 -0.001 0.000 0.205 118 L C 2.595 179.404 176.870 -0.102 0.000 1.079 118 L CA 1.391 56.127 54.840 -0.174 0.000 0.752 118 L CB -0.665 41.315 42.059 -0.132 0.000 0.906 118 L HN 0.496 nan 8.230 nan 0.000 0.436 119 H N 0.653 119.633 119.070 -0.150 0.000 2.319 119 H HA -0.207 4.348 4.556 -0.001 0.000 0.299 119 H C 1.232 176.492 175.328 -0.114 0.000 1.092 119 H CA 2.099 58.087 56.048 -0.099 0.000 1.302 119 H CB 0.210 29.922 29.762 -0.083 0.000 1.373 119 H HN 0.323 nan 8.280 nan 0.000 0.497 120 D N 0.142 120.469 120.400 -0.122 0.000 2.347 120 D HA -0.013 4.626 4.640 -0.001 0.000 0.213 120 D C -0.103 176.069 176.300 -0.214 0.000 0.985 120 D CA 0.488 54.382 54.000 -0.177 0.000 0.879 120 D CB -0.133 40.582 40.800 -0.142 0.000 0.919 120 D HN 0.400 nan 8.370 nan 0.000 0.526 121 N N 0.016 118.584 118.700 -0.220 0.000 2.716 121 N HA 0.180 4.919 4.740 -0.001 0.000 0.253 121 N C -2.218 173.246 175.510 -0.076 0.000 1.170 121 N CA -1.086 51.877 53.050 -0.146 0.000 0.807 121 N CB 2.269 40.650 38.487 -0.178 0.000 1.183 121 N HN -0.216 nan 8.380 nan 0.000 0.524 122 P HA -0.234 nan 4.420 nan 0.000 0.218 122 P C 1.192 178.506 177.300 0.022 0.000 1.146 122 P CA 1.129 64.209 63.100 -0.033 0.000 0.813 122 P CB 0.311 31.987 31.700 -0.039 0.000 0.778 123 E N -1.069 119.173 120.200 0.070 0.000 2.435 123 E HA -0.037 4.313 4.350 -0.001 0.000 0.195 123 E C 0.801 177.524 176.600 0.206 0.000 1.029 123 E CA 0.240 56.730 56.400 0.150 0.000 0.865 123 E CB -0.598 29.225 29.700 0.206 0.000 0.833 123 E HN 0.167 nan 8.360 nan 0.000 0.510 124 M N 1.925 121.584 119.600 0.098 0.000 2.241 124 M HA 0.210 4.690 4.480 -0.001 0.000 0.335 124 M C -0.503 175.788 176.300 -0.016 0.000 1.122 124 M CA -0.051 55.224 55.300 -0.042 0.000 1.164 124 M CB 0.751 33.342 32.600 -0.017 0.000 1.459 124 M HN -0.273 nan 8.290 nan 0.000 0.461 125 K N 2.866 123.222 120.400 -0.074 0.000 2.444 125 K HA 0.655 4.974 4.320 -0.001 0.000 0.252 125 K C -1.734 174.912 176.600 0.076 0.000 0.993 125 K CA -0.461 55.839 56.287 0.020 0.000 0.847 125 K CB 2.132 34.667 32.500 0.059 0.000 1.340 125 K HN 0.669 nan 8.250 nan 0.000 0.446 126 F N 1.398 121.274 119.950 -0.122 0.000 2.672 126 F HA 0.450 4.977 4.527 -0.001 0.000 0.311 126 F C -1.435 174.270 175.800 -0.159 0.000 1.113 126 F CA -1.295 56.622 58.000 -0.138 0.000 0.996 126 F CB 1.023 40.020 39.000 -0.005 0.000 1.286 126 F HN 0.455 nan 8.300 nan 0.000 0.441 127 I N 1.651 121.893 120.570 -0.546 0.000 2.693 127 I HA 0.620 4.789 4.170 -0.001 0.000 0.303 127 I C -1.741 173.948 176.117 -0.714 0.000 1.025 127 I CA -0.635 60.312 61.300 -0.589 0.000 1.086 127 I CB 2.609 40.209 38.000 -0.667 0.000 1.268 127 I HN 0.691 nan 8.210 nan 0.000 0.440 128 W N 4.238 125.155 121.300 -0.639 0.000 2.957 128 W HA 0.631 5.290 4.660 -0.001 0.000 0.336 128 W C -0.782 175.661 176.519 -0.127 0.000 1.087 128 W CA -0.538 56.561 57.345 -0.409 0.000 1.235 128 W CB 2.680 31.941 29.460 -0.330 0.000 1.399 128 W HN 0.785 nan 8.180 nan 0.000 0.480 129 A N 3.417 125.871 122.820 -0.611 0.000 2.013 129 A HA 0.167 4.487 4.320 -0.001 0.000 0.204 129 A C -0.034 177.505 177.584 -0.076 0.000 1.262 129 A CA 0.479 52.399 52.037 -0.195 0.000 0.800 129 A CB 0.050 18.987 19.000 -0.105 0.000 0.909 129 A HN 0.493 nan 8.150 nan 0.000 0.472 130 E N 0.982 121.032 120.200 -0.250 0.000 2.001 130 E HA 0.314 4.663 4.350 -0.001 0.000 0.279 130 E C 0.432 177.198 176.600 0.277 0.000 1.045 130 E CA -0.283 56.140 56.400 0.038 0.000 0.833 130 E CB 0.778 30.494 29.700 0.027 0.000 1.077 130 E HN 0.266 nan 8.360 nan 0.000 0.397 131 I N 1.519 122.144 120.570 0.092 0.000 2.761 131 I HA -0.186 3.983 4.170 -0.001 0.000 0.261 131 I C 1.959 177.720 176.117 -0.593 0.000 1.198 131 I CA 0.884 62.160 61.300 -0.041 0.000 1.482 131 I CB -1.334 36.689 38.000 0.038 0.000 1.100 131 I HN 0.416 nan 8.210 nan 0.000 0.445 132 S N 1.076 116.120 115.700 -1.093 0.000 2.374 132 S HA -0.260 4.210 4.470 -0.001 0.000 0.227 132 S C 2.134 176.431 174.600 -0.506 0.000 1.037 132 S CA 1.273 58.455 58.200 -1.697 0.000 1.024 132 S CB -0.971 61.281 63.200 -1.580 0.000 0.861 132 S HN 0.365 nan 8.310 nan 0.000 0.456 133 Y N 0.551 120.859 120.300 0.013 0.000 2.220 133 Y HA 0.148 4.697 4.550 -0.001 0.000 0.291 133 Y C 2.219 178.167 175.900 0.080 0.000 1.129 133 Y CA 0.373 58.580 58.100 0.178 0.000 1.161 133 Y CB -0.932 37.741 38.460 0.356 0.000 0.997 133 Y HN 0.330 nan 8.280 nan 0.000 0.522 134 F N 0.083 120.106 119.950 0.123 0.000 2.134 134 F HA -0.179 4.348 4.527 -0.001 0.000 0.299 134 F C 2.352 177.991 175.800 -0.269 0.000 1.097 134 F CA 1.292 59.239 58.000 -0.088 0.000 1.264 134 F CB -0.521 38.417 39.000 -0.103 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.205 122.681 122.820 -0.573 0.000 1.902 135 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 135 A C 2.167 179.651 177.584 -0.166 0.000 1.181 135 A CA 1.858 53.403 52.037 -0.821 0.000 0.623 135 A CB -0.781 17.590 19.000 -1.049 0.000 0.818 135 A HN 0.409 nan 8.150 nan 0.000 0.443 136 R N -1.345 119.087 120.500 -0.112 0.000 2.120 136 R HA -0.100 4.239 4.340 -0.001 0.000 0.234 136 R C 1.706 177.963 176.300 -0.072 0.000 1.123 136 R CA 1.834 57.880 56.100 -0.090 0.000 0.975 136 R CB -0.677 29.506 30.300 -0.195 0.000 0.866 136 R HN 0.494 nan 8.270 nan 0.000 0.446 137 F N -0.516 119.355 119.950 -0.132 0.000 2.118 137 F HA -0.052 4.474 4.527 -0.001 0.000 0.293 137 F C 1.866 177.594 175.800 -0.120 0.000 1.102 137 F CA 1.337 59.313 58.000 -0.040 0.000 1.247 137 F CB -0.762 38.143 39.000 -0.159 0.000 1.017 137 F HN 0.068 nan 8.300 nan 0.000 0.475 138 Y N 0.415 120.511 120.300 -0.340 0.000 2.165 138 Y HA -0.280 4.269 4.550 -0.001 0.000 0.286 138 Y C 2.758 178.498 175.900 -0.267 0.000 1.155 138 Y CA 2.313 60.207 58.100 -0.344 0.000 1.164 138 Y CB -0.746 37.640 38.460 -0.123 0.000 0.978 138 Y HN 0.143 nan 8.280 nan 0.000 0.513 139 H N -0.726 118.348 119.070 0.006 0.000 2.491 139 H HA -0.099 4.456 4.556 -0.001 0.000 0.290 139 H C 1.082 176.309 175.328 -0.168 0.000 1.050 139 H CA 1.560 57.569 56.048 -0.065 0.000 1.309 139 H CB -0.102 29.672 29.762 0.021 0.000 1.392 139 H HN 0.447 nan 8.280 nan 0.000 0.554 140 D N 0.051 120.379 120.400 -0.119 0.000 2.349 140 D HA 0.071 4.711 4.640 -0.001 0.000 0.215 140 D C 0.632 176.762 176.300 -0.282 0.000 1.016 140 D CA 0.056 53.962 54.000 -0.157 0.000 0.870 140 D CB 0.300 41.038 40.800 -0.103 0.000 0.917 140 D HN 0.190 nan 8.370 nan 0.000 0.524 141 L N 0.591 121.550 121.223 -0.440 0.000 2.417 141 L HA 0.323 4.662 4.340 -0.001 0.000 0.268 141 L C 1.377 178.063 176.870 -0.307 0.000 1.158 141 L CA -0.589 53.981 54.840 -0.450 0.000 0.819 141 L CB 0.934 42.643 42.059 -0.585 0.000 1.112 141 L HN -0.024 nan 8.230 nan 0.000 0.458 142 G N 0.780 109.447 108.800 -0.223 0.000 2.606 142 G HA2 0.039 3.998 3.960 -0.001 0.000 0.252 142 G HA3 0.039 3.998 3.960 -0.001 0.000 0.252 142 G C 0.630 175.434 174.900 -0.159 0.000 1.206 142 G CA -0.286 44.721 45.100 -0.154 0.000 0.861 142 G HN 0.791 nan 8.290 nan 0.000 0.561 143 E N 0.092 120.228 120.200 -0.107 0.000 2.118 143 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 143 E C 2.205 178.768 176.600 -0.061 0.000 0.992 143 E CA 1.565 57.918 56.400 -0.079 0.000 0.804 143 E CB -0.118 29.560 29.700 -0.036 0.000 0.741 143 E HN 0.586 nan 8.360 nan 0.000 0.458 144 N N 0.098 118.764 118.700 -0.058 0.000 2.069 144 N HA -0.190 4.549 4.740 -0.001 0.000 0.191 144 N C 1.412 176.890 175.510 -0.053 0.000 1.031 144 N CA 1.288 54.311 53.050 -0.045 0.000 0.852 144 N CB 0.022 38.479 38.487 -0.049 0.000 1.018 144 N HN 0.021 nan 8.380 nan 0.000 0.423 145 K N 1.264 121.613 120.400 -0.085 0.000 2.155 145 K HA -0.009 4.311 4.320 -0.001 0.000 0.203 145 K C 2.024 178.593 176.600 -0.051 0.000 1.052 145 K CA 0.618 56.856 56.287 -0.082 0.000 0.948 145 K CB -0.188 32.240 32.500 -0.119 0.000 0.728 145 K HN 0.322 nan 8.250 nan 0.000 0.448 146 K N 0.760 121.087 120.400 -0.123 0.000 2.063 146 K HA -0.067 4.253 4.320 -0.001 0.000 0.208 146 K C 2.246 178.926 176.600 0.133 0.000 1.048 146 K CA 1.056 57.286 56.287 -0.095 0.000 0.928 146 K CB -0.183 32.155 32.500 -0.270 0.000 0.713 146 K HN 0.048 nan 8.250 nan 0.000 0.442 147 L N 1.011 122.279 121.223 0.075 0.000 2.056 147 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 147 L C 2.551 179.488 176.870 0.112 0.000 1.078 147 L CA 1.266 56.166 54.840 0.101 0.000 0.749 147 L CB -0.390 41.704 42.059 0.059 0.000 0.901 147 L HN 0.265 nan 8.230 nan 0.000 0.433 148 Q N -0.846 119.003 119.800 0.082 0.000 2.084 148 Q HA -0.270 4.069 4.340 -0.001 0.000 0.202 148 Q C 2.201 178.294 176.000 0.155 0.000 0.978 148 Q CA 1.725 57.588 55.803 0.101 0.000 0.844 148 Q CB -0.201 28.543 28.738 0.009 0.000 0.898 148 Q HN 0.366 nan 8.270 nan 0.000 0.426 149 M N 1.160 120.880 119.600 0.199 0.000 2.099 149 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 149 M C 1.605 178.084 176.300 0.299 0.000 1.067 149 M CA 1.770 57.248 55.300 0.298 0.000 1.124 149 M CB 0.039 32.915 32.600 0.460 0.000 1.353 149 M HN -0.103 nan 8.290 nan 0.000 0.410 150 K N -1.028 119.549 120.400 0.296 0.000 2.097 150 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 150 K C 2.265 178.959 176.600 0.157 0.000 1.049 150 K CA 1.561 57.987 56.287 0.232 0.000 0.933 150 K CB -0.409 32.217 32.500 0.209 0.000 0.717 150 K HN 0.407 nan 8.250 nan 0.000 0.442 151 S N 1.411 117.195 115.700 0.140 0.000 2.368 151 S HA -0.081 4.388 4.470 -0.001 0.000 0.224 151 S C 1.923 176.574 174.600 0.086 0.000 1.029 151 S CA 1.024 59.285 58.200 0.102 0.000 0.988 151 S CB -0.234 63.026 63.200 0.100 0.000 0.838 151 S HN 0.393 nan 8.310 nan 0.000 0.462 152 I N -0.876 119.755 120.570 0.101 0.000 2.830 152 I HA 0.058 4.227 4.170 -0.001 0.000 0.263 152 I C 1.820 177.964 176.117 0.045 0.000 1.230 152 I CA 0.665 62.004 61.300 0.066 0.000 1.480 152 I CB -0.338 37.700 38.000 0.064 0.000 1.095 152 I HN 0.095 nan 8.210 nan 0.000 0.455 153 V N 1.545 121.504 119.914 0.074 0.000 2.407 153 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 153 V C 2.690 178.814 176.094 0.050 0.000 1.041 153 V CA 1.929 64.260 62.300 0.051 0.000 1.040 153 V CB -0.672 31.237 31.823 0.144 0.000 0.671 153 V HN 0.427 nan 8.190 nan 0.000 0.455 154 K N 0.417 120.855 120.400 0.063 0.000 2.103 154 K HA -0.179 4.141 4.320 -0.001 0.000 0.207 154 K C 1.533 178.148 176.600 0.025 0.000 1.048 154 K CA 1.672 57.986 56.287 0.044 0.000 0.930 154 K CB -0.066 32.463 32.500 0.048 0.000 0.716 154 K HN 0.392 nan 8.250 nan 0.000 0.444 155 N N -0.706 118.008 118.700 0.023 0.000 2.336 155 N HA 0.064 4.804 4.740 -0.001 0.000 0.189 155 N C 0.526 176.037 175.510 0.003 0.000 1.113 155 N CA 0.930 53.987 53.050 0.012 0.000 0.858 155 N CB 1.209 39.704 38.487 0.014 0.000 0.970 155 N HN 0.452 nan 8.380 nan 0.000 0.471 156 G N 0.560 109.358 108.800 -0.003 0.000 2.175 156 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.244 156 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.244 156 G C 0.922 175.809 174.900 -0.022 0.000 0.982 156 G CA 0.264 45.354 45.100 -0.018 0.000 0.641 156 G HN 0.358 nan 8.290 nan 0.000 0.527 157 Q N -1.164 118.629 119.800 -0.012 0.000 2.020 157 Q HA 0.181 4.521 4.340 -0.001 0.000 0.198 157 Q C 1.211 177.203 176.000 -0.015 0.000 0.974 157 Q CA 1.162 56.963 55.803 -0.004 0.000 0.829 157 Q CB 0.123 28.861 28.738 0.001 0.000 0.894 157 Q HN 0.586 nan 8.270 nan 0.000 0.433 158 L N 1.364 122.560 121.223 -0.045 0.000 2.264 158 L HA 0.264 4.604 4.340 -0.001 0.000 0.289 158 L C -0.831 175.873 176.870 -0.276 0.000 1.044 158 L CA 0.044 54.809 54.840 -0.124 0.000 0.807 158 L CB 1.326 43.318 42.059 -0.113 0.000 1.192 158 L HN -0.029 nan 8.230 nan 0.000 0.425 159 E N 4.205 124.212 120.200 -0.321 0.000 2.210 159 E HA 0.367 4.716 4.350 -0.001 0.000 0.266 159 E C -1.553 174.814 176.600 -0.389 0.000 0.883 159 E CA -0.742 55.479 56.400 -0.298 0.000 0.761 159 E CB 1.037 30.633 29.700 -0.174 0.000 1.156 159 E HN 0.509 nan 8.360 nan 0.000 0.412 160 F N 3.431 123.330 119.950 -0.084 0.000 2.411 160 F HA 0.241 4.767 4.527 -0.001 0.000 0.350 160 F C 0.152 175.922 175.800 -0.050 0.000 1.114 160 F CA -0.578 57.383 58.000 -0.064 0.000 1.135 160 F CB 1.410 40.379 39.000 -0.051 0.000 1.120 160 F HN 0.191 nan 8.300 nan 0.000 0.495 161 V N 0.316 120.298 119.914 0.112 0.000 2.459 161 V HA 0.632 4.752 4.120 -0.001 0.000 0.295 161 V C 0.355 176.575 176.094 0.209 0.000 1.029 161 V CA -0.541 61.818 62.300 0.097 0.000 0.874 161 V CB 0.923 32.696 31.823 -0.082 0.000 0.985 161 V HN 0.973 nan 8.190 nan 0.000 0.438 162 T N 3.137 117.888 114.554 0.328 0.000 12.763 162 T HA -0.326 4.023 4.350 -0.001 0.000 0.419 162 T C 1.734 176.659 174.700 0.376 0.000 1.443 162 T CA 3.079 65.421 62.100 0.404 0.000 2.376 162 T CB -1.673 67.335 68.868 0.233 0.000 2.832 162 T HN 2.787 nan 8.240 nan 0.000 0.739 163 G N 1.766 110.722 108.800 0.260 0.000 2.136 163 G HA2 0.112 4.071 3.960 -0.001 0.000 0.242 163 G HA3 0.112 4.071 3.960 -0.001 0.000 0.242 163 G C 0.299 175.333 174.900 0.224 0.000 0.989 163 G CA 0.545 45.771 45.100 0.209 0.000 0.682 163 G HN 1.538 nan 8.290 nan 0.000 0.522 164 G N -1.608 107.326 108.800 0.223 0.000 2.599 164 G HA2 0.367 4.327 3.960 -0.001 0.000 0.264 164 G HA3 0.367 4.327 3.960 -0.001 0.000 0.264 164 G C 0.977 176.053 174.900 0.293 0.000 1.200 164 G CA 0.180 45.425 45.100 0.241 0.000 0.896 164 G HN 0.338 nan 8.290 nan 0.000 0.536 165 W N 0.316 121.660 121.300 0.072 0.000 2.342 165 W HA -0.033 4.626 4.660 -0.001 0.000 0.297 165 W C 0.691 177.241 176.519 0.052 0.000 1.213 165 W CA 1.876 59.250 57.345 0.047 0.000 1.251 165 W CB 0.242 29.714 29.460 0.020 0.000 1.136 165 W HN 0.400 nan 8.180 nan 0.000 0.526 166 V N -2.634 117.406 119.914 0.210 0.000 3.156 166 V HA 0.499 4.618 4.120 -0.001 0.000 0.310 166 V C -0.442 175.744 176.094 0.153 0.000 1.234 166 V CA -1.295 61.075 62.300 0.117 0.000 1.065 166 V CB 1.737 33.648 31.823 0.147 0.000 1.088 166 V HN -0.047 nan 8.190 nan 0.000 0.451 167 M N 3.970 123.688 119.600 0.197 0.000 2.152 167 M HA 0.518 4.997 4.480 -0.001 0.000 0.354 167 M C -2.698 173.762 176.300 0.267 0.000 1.173 167 M CA -1.867 53.565 55.300 0.219 0.000 1.110 167 M CB 1.434 34.187 32.600 0.255 0.000 1.366 167 M HN 0.634 nan 8.290 nan 0.000 0.415 168 P HA 0.143 nan 4.420 nan 0.000 0.277 168 P C -1.000 176.311 177.300 0.018 0.000 1.240 168 P CA -0.221 62.932 63.100 0.087 0.000 0.798 168 P CB 0.603 32.342 31.700 0.066 0.000 0.979 169 D N 0.706 121.078 120.400 -0.048 0.000 2.478 169 D HA -0.078 4.562 4.640 -0.001 0.000 0.234 169 D C 0.672 176.981 176.300 0.016 0.000 1.154 169 D CA 0.703 54.654 54.000 -0.082 0.000 0.874 169 D CB 0.450 41.213 40.800 -0.063 0.000 1.198 169 D HN 0.310 nan 8.370 nan 0.000 0.455 170 E N 1.414 121.667 120.200 0.088 0.000 2.526 170 E HA 0.194 4.543 4.350 -0.001 0.000 0.208 170 E C 0.817 177.590 176.600 0.290 0.000 0.997 170 E CA 0.016 56.534 56.400 0.196 0.000 0.961 170 E CB 0.712 30.550 29.700 0.230 0.000 1.030 170 E HN 0.470 nan 8.360 nan 0.000 0.483 171 A N 1.412 124.348 122.820 0.194 0.000 1.901 171 A HA 0.032 4.352 4.320 -0.001 0.000 0.210 171 A C 1.809 179.270 177.584 -0.206 0.000 1.208 171 A CA 0.533 52.444 52.037 -0.210 0.000 0.644 171 A CB 0.063 18.919 19.000 -0.240 0.000 0.863 171 A HN 0.027 nan 8.150 nan 0.000 0.454 172 N N 0.673 119.344 118.700 -0.048 0.000 2.356 172 N HA 0.012 4.752 4.740 -0.001 0.000 0.178 172 N C 0.455 175.952 175.510 -0.021 0.000 1.075 172 N CA 0.746 53.766 53.050 -0.051 0.000 0.889 172 N CB 0.085 38.587 38.487 0.025 0.000 0.999 172 N HN 0.498 nan 8.380 nan 0.000 0.464 173 S N 0.763 116.462 115.700 -0.002 0.000 2.562 173 S HA 0.027 4.496 4.470 -0.001 0.000 0.281 173 S C 0.029 174.642 174.600 0.021 0.000 1.333 173 S CA -0.532 57.680 58.200 0.019 0.000 1.052 173 S CB 1.101 64.316 63.200 0.025 0.000 0.884 173 S HN 0.207 nan 8.310 nan 0.000 0.506 174 H N 3.399 122.450 119.070 -0.032 0.000 2.582 174 H HA 0.049 4.604 4.556 -0.001 0.000 0.345 174 H C 1.270 176.576 175.328 -0.038 0.000 1.104 174 H CA -0.280 55.736 56.048 -0.053 0.000 1.390 174 H CB 0.542 30.221 29.762 -0.137 0.000 1.461 174 H HN 1.029 nan 8.280 nan 0.000 0.551 175 W N 5.772 126.963 121.300 -0.182 0.000 2.331 175 W HA -0.189 4.470 4.660 -0.001 0.000 0.291 175 W C 1.085 177.670 176.519 0.110 0.000 1.214 175 W CA 0.468 57.792 57.345 -0.036 0.000 1.228 175 W CB -0.507 28.879 29.460 -0.123 0.000 1.135 175 W HN 0.536 nan 8.180 nan 0.000 0.537 176 R N 0.780 120.932 120.500 -0.580 0.000 2.096 176 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 176 R C 2.012 178.154 176.300 -0.262 0.000 1.127 176 R CA 1.910 57.562 56.100 -0.748 0.000 0.968 176 R CB -0.400 29.396 30.300 -0.841 0.000 0.861 176 R HN 0.157 nan 8.270 nan 0.000 0.440 177 N N -0.281 118.350 118.700 -0.116 0.000 2.376 177 N HA -0.050 4.689 4.740 -0.001 0.000 0.177 177 N C 1.684 177.200 175.510 0.009 0.000 1.024 177 N CA 0.668 53.688 53.050 -0.049 0.000 0.893 177 N CB 0.058 38.535 38.487 -0.016 0.000 0.980 177 N HN 0.001 nan 8.380 nan 0.000 0.439 178 V N 1.385 121.327 119.914 0.047 0.000 2.358 178 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 178 V C 2.292 178.430 176.094 0.074 0.000 1.047 178 V CA 0.993 63.337 62.300 0.074 0.000 1.035 178 V CB -0.425 31.462 31.823 0.106 0.000 0.658 178 V HN 0.187 nan 8.190 nan 0.000 0.452 179 L N -0.291 120.984 121.223 0.087 0.000 2.093 179 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 179 L C 2.146 179.024 176.870 0.015 0.000 1.085 179 L CA 1.745 56.629 54.840 0.073 0.000 0.755 179 L CB -0.626 41.511 42.059 0.129 0.000 0.904 179 L HN 0.279 nan 8.230 nan 0.000 0.435 180 L N -0.043 121.168 121.223 -0.020 0.000 2.017 180 L HA -0.240 4.100 4.340 -0.001 0.000 0.208 180 L C 2.561 179.421 176.870 -0.018 0.000 1.073 180 L CA 2.307 57.123 54.840 -0.039 0.000 0.745 180 L CB -0.742 41.276 42.059 -0.069 0.000 0.894 180 L HN 0.670 nan 8.230 nan 0.000 0.432 181 Q N -0.990 118.823 119.800 0.021 0.000 2.172 181 Q HA -0.181 4.158 4.340 -0.001 0.000 0.200 181 Q C 2.019 178.100 176.000 0.135 0.000 0.964 181 Q CA 1.963 57.811 55.803 0.076 0.000 0.855 181 Q CB -1.136 27.684 28.738 0.136 0.000 0.918 181 Q HN 0.468 nan 8.270 nan 0.000 0.444 182 L N 0.813 122.100 121.223 0.108 0.000 2.046 182 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 182 L C 1.910 178.857 176.870 0.129 0.000 1.077 182 L CA 2.414 57.331 54.840 0.128 0.000 0.747 182 L CB -0.964 41.148 42.059 0.088 0.000 0.896 182 L HN 0.327 nan 8.230 nan 0.000 0.432 183 T N -1.055 113.543 114.554 0.073 0.000 2.821 183 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 183 T C 1.721 176.469 174.700 0.081 0.000 1.046 183 T CA 1.369 63.505 62.100 0.059 0.000 1.139 183 T CB -0.137 68.735 68.868 0.006 0.000 0.871 183 T HN 0.322 nan 8.240 nan 0.000 0.454 184 E N 1.006 121.227 120.200 0.035 0.000 2.051 184 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 184 E C 2.332 179.051 176.600 0.199 0.000 0.991 184 E CA 1.505 57.881 56.400 -0.041 0.000 0.799 184 E CB -0.822 28.656 29.700 -0.370 0.000 0.748 184 E HN 0.448 nan 8.360 nan 0.000 0.449 185 G N -0.180 108.841 108.800 0.367 0.000 2.394 185 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.215 185 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.215 185 G C 1.482 176.597 174.900 0.357 0.000 1.165 185 G CA 0.586 45.988 45.100 0.505 0.000 0.784 185 G HN 0.246 nan 8.290 nan 0.000 0.535 186 Q N -0.129 119.819 119.800 0.246 0.000 2.172 186 Q HA -0.058 4.282 4.340 -0.001 0.000 0.200 186 Q C 2.797 178.893 176.000 0.160 0.000 0.964 186 Q CA 1.430 57.338 55.803 0.175 0.000 0.855 186 Q CB -0.208 28.615 28.738 0.142 0.000 0.918 186 Q HN 0.407 nan 8.270 nan 0.000 0.444 187 T N 0.212 114.872 114.554 0.177 0.000 2.746 187 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 187 T C 1.101 175.911 174.700 0.184 0.000 1.039 187 T CA 1.094 63.277 62.100 0.139 0.000 1.142 187 T CB -0.394 68.551 68.868 0.128 0.000 0.866 187 T HN 0.471 nan 8.240 nan 0.000 0.444 188 W N 1.602 123.002 121.300 0.167 0.000 2.335 188 W HA -0.074 4.585 4.660 -0.001 0.000 0.311 188 W C 1.813 178.446 176.519 0.191 0.000 1.213 188 W CA 0.970 58.493 57.345 0.296 0.000 1.274 188 W CB -0.429 29.284 29.460 0.421 0.000 1.148 188 W HN 0.148 nan 8.180 nan 0.000 0.498 189 L N 0.569 122.021 121.223 0.382 0.000 2.046 189 L HA -0.252 4.088 4.340 -0.001 0.000 0.208 189 L C 2.596 179.405 176.870 -0.103 0.000 1.077 189 L CA 1.893 56.778 54.840 0.075 0.000 0.747 189 L CB -0.927 41.102 42.059 -0.051 0.000 0.896 189 L HN 0.001 nan 8.230 nan 0.000 0.432 190 K N -0.001 120.356 120.400 -0.072 0.000 2.025 190 K HA -0.250 4.069 4.320 -0.001 0.000 0.207 190 K C 2.193 178.656 176.600 -0.228 0.000 1.049 190 K CA 1.497 57.716 56.287 -0.114 0.000 0.933 190 K CB -0.029 32.429 32.500 -0.069 0.000 0.714 190 K HN 0.236 nan 8.250 nan 0.000 0.438 191 Q N -0.715 118.878 119.800 -0.346 0.000 2.050 191 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 191 Q C 1.521 177.018 176.000 -0.838 0.000 0.980 191 Q CA 1.921 57.346 55.803 -0.631 0.000 0.840 191 Q CB 0.002 28.228 28.738 -0.853 0.000 0.898 191 Q HN 0.322 nan 8.270 nan 0.000 0.424 192 F N -1.361 118.223 119.950 -0.611 0.000 2.582 192 F HA 0.110 4.637 4.527 -0.001 0.000 0.290 192 F C 1.705 177.216 175.800 -0.481 0.000 1.115 192 F CA 0.293 57.882 58.000 -0.686 0.000 1.445 192 F CB 0.360 38.512 39.000 -1.413 0.000 1.126 192 F HN 0.110 nan 8.300 nan 0.000 0.574 193 M N -1.065 118.383 119.600 -0.253 0.000 2.331 193 M HA 0.227 4.706 4.480 -0.001 0.000 0.266 193 M C 0.333 176.608 176.300 -0.042 0.000 1.055 193 M CA 0.248 55.498 55.300 -0.083 0.000 1.048 193 M CB -1.040 31.544 32.600 -0.026 0.000 1.460 193 M HN 0.105 nan 8.290 nan 0.000 0.519 194 N N 2.004 120.646 118.700 -0.096 0.000 2.740 194 N HA -0.132 4.608 4.740 -0.001 0.000 0.248 194 N C -0.934 174.555 175.510 -0.035 0.000 1.062 194 N CA 0.739 53.748 53.050 -0.069 0.000 0.704 194 N CB -0.997 37.463 38.487 -0.046 0.000 0.968 194 N HN 0.397 nan 8.380 nan 0.000 0.547 195 V N -3.938 115.957 119.914 -0.033 0.000 3.007 195 V HA 0.891 5.011 4.120 -0.001 0.000 0.311 195 V C 0.035 176.110 176.094 -0.032 0.000 1.120 195 V CA -0.442 61.852 62.300 -0.010 0.000 0.980 195 V CB 2.379 34.239 31.823 0.062 0.000 1.033 195 V HN 0.058 nan 8.190 nan 0.000 0.429 196 T N 3.878 118.404 114.554 -0.047 0.000 2.930 196 T HA 0.568 4.917 4.350 -0.001 0.000 0.313 196 T C -2.758 171.855 174.700 -0.145 0.000 1.019 196 T CA -0.748 61.304 62.100 -0.080 0.000 1.004 196 T CB 1.380 70.192 68.868 -0.092 0.000 0.987 196 T HN 0.759 nan 8.240 nan 0.000 0.456 197 P HA 0.176 nan 4.420 nan 0.000 0.266 197 P C 0.857 177.772 177.300 -0.641 0.000 1.195 197 P CA -0.164 62.812 63.100 -0.208 0.000 0.768 197 P CB 0.557 32.246 31.700 -0.018 0.000 0.838 198 T N -1.712 112.522 114.554 -0.533 0.000 3.040 198 T HA 0.528 4.877 4.350 -0.001 0.000 0.266 198 T C 0.358 174.870 174.700 -0.313 0.000 1.005 198 T CA -0.276 61.387 62.100 -0.728 0.000 0.906 198 T CB 0.154 68.802 68.868 -0.367 0.000 1.082 198 T HN 0.399 nan 8.240 nan 0.000 0.531 199 A N 0.894 123.692 122.820 -0.037 0.000 2.343 199 A HA 0.797 5.116 4.320 -0.001 0.000 0.316 199 A C -0.137 177.711 177.584 0.439 0.000 1.104 199 A CA -0.687 51.479 52.037 0.216 0.000 0.768 199 A CB 1.774 20.910 19.000 0.227 0.000 1.213 199 A HN 0.260 nan 8.150 nan 0.000 0.456 200 S N 2.133 118.083 115.700 0.416 0.000 2.549 200 S HA 0.690 5.159 4.470 -0.001 0.000 0.297 200 S C -1.133 173.656 174.600 0.315 0.000 1.115 200 S CA -0.436 57.949 58.200 0.308 0.000 1.059 200 S CB 0.783 63.993 63.200 0.017 0.000 1.046 200 S HN 0.815 nan 8.310 nan 0.000 0.506 201 W N 4.358 125.676 121.300 0.029 0.000 2.543 201 W HA 0.627 5.287 4.660 -0.001 0.000 0.318 201 W C -1.543 174.927 176.519 -0.080 0.000 1.002 201 W CA -0.810 56.506 57.345 -0.048 0.000 1.302 201 W CB 1.115 30.520 29.460 -0.091 0.000 1.299 201 W HN 0.786 nan 8.180 nan 0.000 0.424 202 A N 7.867 130.532 122.820 -0.258 0.000 2.763 202 A HA 0.305 4.625 4.320 -0.001 0.000 0.325 202 A C 0.254 177.588 177.584 -0.416 0.000 1.209 202 A CA -0.484 51.410 52.037 -0.239 0.000 0.764 202 A CB -0.265 18.720 19.000 -0.026 0.000 1.120 202 A HN 0.699 nan 8.150 nan 0.000 0.463 203 I N -2.517 117.625 120.570 -0.713 0.000 3.603 203 I HA 0.280 4.449 4.170 -0.001 0.000 0.297 203 I C 0.803 176.581 176.117 -0.565 0.000 1.269 203 I CA 0.790 61.628 61.300 -0.770 0.000 1.361 203 I CB 0.414 37.691 38.000 -1.204 0.000 1.063 203 I HN 0.341 nan 8.210 nan 0.000 0.448 204 D N 0.414 120.439 120.400 -0.625 0.000 2.489 204 D HA 0.249 4.888 4.640 -0.001 0.000 0.231 204 D C -2.155 173.747 176.300 -0.662 0.000 1.114 204 D CA -0.764 52.880 54.000 -0.594 0.000 0.842 204 D CB 0.079 40.426 40.800 -0.755 0.000 1.133 204 D HN 0.177 nan 8.370 nan 0.000 0.506 205 P HA 0.040 nan 4.420 nan 0.000 0.268 205 P C -0.551 176.322 177.300 -0.712 0.000 1.208 205 P CA 0.077 62.676 63.100 -0.836 0.000 0.777 205 P CB 0.207 31.562 31.700 -0.574 0.000 0.875 206 F N 2.011 121.724 119.950 -0.394 0.000 2.541 206 F HA 0.553 5.080 4.527 -0.001 0.000 0.351 206 F C 1.374 177.105 175.800 -0.116 0.000 1.209 206 F CA -0.716 56.997 58.000 -0.479 0.000 1.277 206 F CB -1.011 37.824 39.000 -0.275 0.000 1.632 206 F HN 0.502 nan 8.300 nan 0.000 0.619 207 G N 1.355 109.914 108.800 -0.402 0.000 2.619 207 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.686 207 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.686 207 G C -1.520 173.023 174.900 -0.596 0.000 1.256 207 G CA -1.167 43.797 45.100 -0.226 0.000 0.826 207 G HN 0.614 nan 8.290 nan 0.000 0.619 208 H N -0.546 118.226 119.070 -0.496 0.000 2.717 208 H HA 0.741 5.296 4.556 -0.001 0.000 0.366 208 H C -0.361 174.854 175.328 -0.189 0.000 1.132 208 H CA 0.026 55.968 56.048 -0.176 0.000 1.180 208 H CB 2.050 31.873 29.762 0.102 0.000 1.678 208 H HN 0.677 nan 8.280 nan 0.000 0.537 209 S N 2.370 118.206 115.700 0.228 0.000 2.501 209 S HA 0.260 4.730 4.470 -0.001 0.000 0.301 209 S C -1.772 172.852 174.600 0.039 0.000 1.096 209 S CA -1.797 56.548 58.200 0.241 0.000 1.063 209 S CB 1.313 64.703 63.200 0.316 0.000 1.042 209 S HN 0.448 nan 8.310 nan 0.000 0.494 210 P HA 0.017 nan 4.420 nan 0.000 0.234 210 P C 1.083 178.122 177.300 -0.435 0.000 1.167 210 P CA 0.738 63.433 63.100 -0.675 0.000 0.763 210 P CB -0.255 31.208 31.700 -0.395 0.000 0.835 211 T N -0.341 114.099 114.554 -0.190 0.000 2.881 211 T HA -0.139 4.211 4.350 -0.001 0.000 0.270 211 T C 1.723 176.377 174.700 -0.077 0.000 1.068 211 T CA 1.282 63.315 62.100 -0.112 0.000 1.131 211 T CB -0.483 68.360 68.868 -0.041 0.000 0.871 211 T HN 0.021 nan 8.240 nan 0.000 0.479 212 M N 1.972 121.487 119.600 -0.143 0.000 2.059 212 M HA 0.007 4.486 4.480 -0.001 0.000 0.259 212 M C -1.067 175.095 176.300 -0.230 0.000 1.072 212 M CA 1.383 56.595 55.300 -0.146 0.000 1.117 212 M CB -1.119 31.424 32.600 -0.096 0.000 1.320 212 M HN 0.027 nan 8.290 nan 0.000 0.408 213 P HA -0.197 nan 4.420 nan 0.000 0.218 213 P C 1.441 178.618 177.300 -0.206 0.000 1.149 213 P CA 1.411 64.319 63.100 -0.319 0.000 0.817 213 P CB -0.527 30.887 31.700 -0.477 0.000 0.785 214 Y N 1.253 121.367 120.300 -0.311 0.000 2.053 214 Y HA -0.230 4.319 4.550 -0.001 0.000 0.277 214 Y C 2.430 178.247 175.900 -0.139 0.000 1.159 214 Y CA 1.777 59.759 58.100 -0.198 0.000 1.125 214 Y CB -1.052 37.307 38.460 -0.168 0.000 0.969 214 Y HN -0.236 nan 8.280 nan 0.000 0.492 215 I N -0.458 120.112 120.570 0.000 0.000 2.252 215 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 215 I C 2.308 178.344 176.117 -0.135 0.000 1.102 215 I CA 1.214 62.479 61.300 -0.059 0.000 1.385 215 I CB -0.427 37.608 38.000 0.057 0.000 1.064 215 I HN 0.274 nan 8.210 nan 0.000 0.414 216 L N 0.083 121.182 121.223 -0.207 0.000 2.046 216 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 216 L C 2.686 179.538 176.870 -0.031 0.000 1.077 216 L CA 1.190 55.843 54.840 -0.311 0.000 0.747 216 L CB -0.706 40.981 42.059 -0.619 0.000 0.896 216 L HN 0.348 nan 8.230 nan 0.000 0.432 217 Q N 1.111 120.860 119.800 -0.085 0.000 2.224 217 Q HA -0.190 4.150 4.340 -0.001 0.000 0.203 217 Q C 1.681 177.642 176.000 -0.066 0.000 0.970 217 Q CA 1.456 57.233 55.803 -0.044 0.000 0.865 217 Q CB 0.129 28.813 28.738 -0.090 0.000 0.922 217 Q HN 0.461 nan 8.270 nan 0.000 0.445 218 K N -0.503 119.814 120.400 -0.138 0.000 2.444 218 K HA 0.108 4.428 4.320 -0.001 0.000 0.193 218 K C 0.710 177.271 176.600 -0.065 0.000 1.024 218 K CA 0.158 56.357 56.287 -0.147 0.000 1.077 218 K CB 0.512 32.850 32.500 -0.270 0.000 0.833 218 K HN -0.068 nan 8.250 nan 0.000 0.517 219 S N -0.291 115.425 115.700 0.027 0.000 2.754 219 S HA 0.198 4.668 4.470 -0.001 0.000 0.247 219 S C 0.774 175.469 174.600 0.159 0.000 1.031 219 S CA 0.112 58.376 58.200 0.106 0.000 1.014 219 S CB 1.302 64.608 63.200 0.177 0.000 0.918 219 S HN 0.517 nan 8.310 nan 0.000 0.519 220 G N 1.224 110.073 108.800 0.082 0.000 2.176 220 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.253 220 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.253 220 G C -0.006 174.870 174.900 -0.039 0.000 0.979 220 G CA -0.365 44.729 45.100 -0.010 0.000 0.641 220 G HN 0.437 nan 8.290 nan 0.000 0.530 221 F N 0.211 120.120 119.950 -0.069 0.000 2.444 221 F HA 0.588 5.115 4.527 -0.001 0.000 0.331 221 F C 1.573 177.315 175.800 -0.096 0.000 1.167 221 F CA 0.054 58.009 58.000 -0.075 0.000 1.262 221 F CB 0.892 39.852 39.000 -0.068 0.000 1.196 221 F HN -0.192 nan 8.300 nan 0.000 0.583 222 K N 0.582 121.002 120.400 0.033 0.000 2.464 222 K HA 0.258 4.578 4.320 -0.001 0.000 0.206 222 K C -0.444 176.100 176.600 -0.094 0.000 1.186 222 K CA 0.239 56.487 56.287 -0.064 0.000 0.990 222 K CB 0.295 32.708 32.500 -0.144 0.000 1.003 222 K HN 0.521 nan 8.250 nan 0.000 0.562 223 N N 0.688 119.315 118.700 -0.123 0.000 2.484 223 N HA 0.404 5.143 4.740 -0.001 0.000 0.269 223 N C -0.966 174.392 175.510 -0.253 0.000 1.237 223 N CA -0.405 52.408 53.050 -0.394 0.000 0.838 223 N CB 2.532 40.243 38.487 -1.292 0.000 1.593 223 N HN -0.078 nan 8.380 nan 0.000 0.485 224 M N -0.388 119.072 119.600 -0.234 0.000 2.569 224 M HA 0.618 5.097 4.480 -0.001 0.000 0.279 224 M C -2.013 174.345 176.300 0.097 0.000 1.253 224 M CA -0.938 54.352 55.300 -0.017 0.000 0.867 224 M CB 2.890 35.473 32.600 -0.028 0.000 1.727 224 M HN 0.474 nan 8.290 nan 0.000 0.467 225 L N 3.679 124.980 121.223 0.130 0.000 2.386 225 L HA 0.880 5.220 4.340 -0.001 0.000 0.271 225 L C -1.456 175.297 176.870 -0.195 0.000 0.993 225 L CA -0.757 54.116 54.840 0.056 0.000 0.819 225 L CB 2.026 44.165 42.059 0.134 0.000 1.294 225 L HN 0.949 nan 8.230 nan 0.000 0.414 226 I N 0.936 121.305 120.570 -0.334 0.000 3.042 226 I HA 0.618 4.787 4.170 -0.001 0.000 0.310 226 I C -0.678 175.140 176.117 -0.498 0.000 1.117 226 I CA -0.568 60.347 61.300 -0.642 0.000 1.003 226 I CB 2.238 39.565 38.000 -1.122 0.000 1.228 226 I HN 0.744 nan 8.210 nan 0.000 0.443 227 Q N 2.020 121.585 119.800 -0.392 0.000 2.546 227 Q HA 0.334 4.674 4.340 -0.001 0.000 0.226 227 Q C -0.015 175.886 176.000 -0.164 0.000 0.769 227 Q CA 0.399 56.056 55.803 -0.243 0.000 0.954 227 Q CB 0.608 29.199 28.738 -0.244 0.000 1.319 227 Q HN 0.661 nan 8.270 nan 0.000 0.534 228 R N 2.041 122.466 120.500 -0.125 0.000 2.608 228 R HA 0.349 4.689 4.340 -0.001 0.000 0.277 228 R C -0.681 175.393 176.300 -0.376 0.000 1.341 228 R CA 0.536 56.334 56.100 -0.503 0.000 1.199 228 R CB 0.287 29.905 30.300 -1.137 0.000 1.156 228 R HN 0.382 nan 8.270 nan 0.000 0.558 229 T N -2.414 112.135 114.554 -0.008 0.000 2.924 229 T HA 0.138 4.488 4.350 -0.001 0.000 0.291 229 T C 0.012 174.967 174.700 0.425 0.000 1.045 229 T CA -0.899 61.314 62.100 0.188 0.000 1.015 229 T CB 1.750 70.559 68.868 -0.098 0.000 1.103 229 T HN 0.425 nan 8.240 nan 0.000 0.496 230 H N 1.925 121.202 119.070 0.345 0.000 3.115 230 H HA -0.047 4.508 4.556 -0.001 0.000 0.324 230 H C 1.055 176.436 175.328 0.088 0.000 1.007 230 H CA 0.489 56.632 56.048 0.158 0.000 1.385 230 H CB 0.332 30.212 29.762 0.197 0.000 1.351 230 H HN 0.929 nan 8.280 nan 0.000 0.592 231 Y N 2.281 122.690 120.300 0.182 0.000 2.256 231 Y HA -0.170 4.379 4.550 -0.001 0.000 0.288 231 Y C 2.193 178.263 175.900 0.284 0.000 1.155 231 Y CA 0.970 59.203 58.100 0.222 0.000 1.203 231 Y CB -0.642 37.889 38.460 0.120 0.000 0.980 231 Y HN 0.296 nan 8.280 nan 0.000 0.530 232 S N 0.329 116.073 115.700 0.072 0.000 2.406 232 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 232 S C 2.085 176.602 174.600 -0.139 0.000 1.020 232 S CA 1.128 59.258 58.200 -0.116 0.000 0.965 232 S CB -0.541 62.367 63.200 -0.487 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 2.013 121.900 119.914 -0.045 0.000 2.307 233 V HA -0.180 3.940 4.120 -0.001 0.000 0.245 233 V C 2.247 178.372 176.094 0.050 0.000 1.045 233 V CA 1.616 63.921 62.300 0.009 0.000 1.024 233 V CB -0.519 31.413 31.823 0.181 0.000 0.651 233 V HN 0.411 nan 8.190 nan 0.000 0.449 234 K N 0.102 120.573 120.400 0.120 0.000 2.063 234 K HA -0.263 4.056 4.320 -0.001 0.000 0.208 234 K C 2.270 178.994 176.600 0.207 0.000 1.048 234 K CA 1.889 58.262 56.287 0.144 0.000 0.928 234 K CB -0.246 32.395 32.500 0.234 0.000 0.713 234 K HN 0.363 nan 8.250 nan 0.000 0.442 235 K N 1.139 121.662 120.400 0.206 0.000 2.026 235 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 235 K C 2.130 178.820 176.600 0.149 0.000 1.048 235 K CA 1.715 58.133 56.287 0.218 0.000 0.929 235 K CB 0.045 32.605 32.500 0.099 0.000 0.713 235 K HN -0.023 nan 8.250 nan 0.000 0.439 236 E N 0.881 121.089 120.200 0.015 0.000 2.051 236 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 236 E C 1.937 178.525 176.600 -0.019 0.000 0.991 236 E CA 1.435 57.802 56.400 -0.054 0.000 0.799 236 E CB -0.184 29.436 29.700 -0.134 0.000 0.748 236 E HN 0.342 nan 8.360 nan 0.000 0.449 237 L N -0.212 121.009 121.223 -0.003 0.000 2.093 237 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 237 L C 2.504 179.389 176.870 0.025 0.000 1.085 237 L CA 0.915 55.747 54.840 -0.013 0.000 0.755 237 L CB -0.584 41.451 42.059 -0.040 0.000 0.904 237 L HN 0.208 nan 8.230 nan 0.000 0.435 238 A N -0.234 122.653 122.820 0.111 0.000 1.933 238 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 238 A C 2.217 179.980 177.584 0.299 0.000 1.175 238 A CA 1.492 53.650 52.037 0.202 0.000 0.628 238 A CB -0.444 18.823 19.000 0.445 0.000 0.814 238 A HN 0.461 nan 8.150 nan 0.000 0.444 239 Q N -0.922 119.007 119.800 0.214 0.000 2.226 239 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 239 Q C 1.474 177.465 176.000 -0.015 0.000 0.975 239 Q CA 1.243 57.028 55.803 -0.031 0.000 0.866 239 Q CB -0.027 28.550 28.738 -0.269 0.000 0.915 239 Q HN 0.609 nan 8.270 nan 0.000 0.440 240 Q N -0.135 119.666 119.800 0.001 0.000 2.319 240 Q HA 0.121 4.461 4.340 -0.001 0.000 0.202 240 Q C -0.357 175.658 176.000 0.025 0.000 0.896 240 Q CA 0.029 55.830 55.803 -0.003 0.000 0.942 240 Q CB 0.600 29.326 28.738 -0.019 0.000 1.083 240 Q HN 0.279 nan 8.270 nan 0.000 0.510 241 R N 0.789 121.309 120.500 0.033 0.000 3.333 241 R HA -0.207 4.132 4.340 -0.001 0.000 0.256 241 R C -0.089 176.239 176.300 0.047 0.000 1.010 241 R CA 0.440 56.550 56.100 0.017 0.000 0.680 241 R CB -1.907 28.430 30.300 0.062 0.000 1.102 241 R HN 0.388 nan 8.270 nan 0.000 0.440 242 Q N 0.032 119.847 119.800 0.026 0.000 2.165 242 Q HA 0.197 4.537 4.340 -0.001 0.000 0.245 242 Q C 1.243 177.318 176.000 0.125 0.000 0.841 242 Q CA -0.234 55.621 55.803 0.086 0.000 1.078 242 Q CB 0.548 29.301 28.738 0.025 0.000 1.169 242 Q HN 0.442 nan 8.270 nan 0.000 0.475 243 L N 0.130 121.352 121.223 -0.002 0.000 2.395 243 L HA 0.023 4.363 4.340 -0.001 0.000 0.218 243 L C 0.330 177.183 176.870 -0.028 0.000 1.130 243 L CA 0.989 55.800 54.840 -0.050 0.000 0.826 243 L CB 0.255 42.087 42.059 -0.379 0.000 0.941 243 L HN 0.180 nan 8.230 nan 0.000 0.451 244 E N 0.078 120.305 120.200 0.045 0.000 2.171 244 E HA 0.533 4.882 4.350 -0.001 0.000 0.271 244 E C -1.209 175.307 176.600 -0.140 0.000 0.916 244 E CA -0.548 55.683 56.400 -0.282 0.000 0.774 244 E CB 1.590 31.255 29.700 -0.058 0.000 1.128 244 E HN 0.001 nan 8.360 nan 0.000 0.403 245 F N -0.301 119.401 119.950 -0.413 0.000 2.713 245 F HA 0.464 4.990 4.527 -0.001 0.000 0.311 245 F C -1.570 174.128 175.800 -0.171 0.000 1.141 245 F CA -1.369 56.532 58.000 -0.165 0.000 0.939 245 F CB 0.779 39.711 39.000 -0.114 0.000 1.325 245 F HN 0.164 nan 8.300 nan 0.000 0.453 246 L N 2.605 123.986 121.223 0.264 0.000 2.282 246 L HA 0.181 4.520 4.340 -0.001 0.000 0.287 246 L C -1.110 175.991 176.870 0.385 0.000 1.075 246 L CA -0.247 54.745 54.840 0.253 0.000 0.839 246 L CB 0.522 42.735 42.059 0.257 0.000 1.219 246 L HN 0.589 nan 8.230 nan 0.000 0.434 247 W N 6.799 128.207 121.300 0.181 0.000 2.387 247 W HA 0.340 4.999 4.660 -0.001 0.000 0.310 247 W C 0.205 176.754 176.519 0.049 0.000 1.181 247 W CA -1.265 56.205 57.345 0.208 0.000 1.333 247 W CB 0.479 30.106 29.460 0.277 0.000 1.286 247 W HN 0.507 nan 8.180 nan 0.000 0.455 248 R N 3.823 124.503 120.500 0.300 0.000 2.828 248 R HA 0.539 4.879 4.340 -0.001 0.000 0.264 248 R C -0.102 176.108 176.300 -0.150 0.000 1.022 248 R CA -0.930 55.173 56.100 0.005 0.000 1.021 248 R CB 1.132 31.416 30.300 -0.027 0.000 1.163 248 R HN 0.239 nan 8.270 nan 0.000 0.494 249 Q N 1.439 120.994 119.800 -0.408 0.000 2.421 249 Q HA 0.048 4.387 4.340 -0.001 0.000 0.255 249 Q C 1.455 177.035 176.000 -0.701 0.000 1.013 249 Q CA 0.135 55.485 55.803 -0.756 0.000 0.895 249 Q CB 0.783 28.622 28.738 -1.498 0.000 1.271 249 Q HN 0.852 nan 8.270 nan 0.000 0.460 250 I N -2.007 118.244 120.570 -0.533 0.000 2.567 250 I HA -0.150 4.019 4.170 -0.001 0.000 0.257 250 I C 1.247 177.281 176.117 -0.138 0.000 1.184 250 I CA 1.274 62.441 61.300 -0.222 0.000 1.451 250 I CB -0.336 37.638 38.000 -0.042 0.000 1.089 250 I HN 0.671 nan 8.210 nan 0.000 0.441 251 W N 1.213 122.571 121.300 0.096 0.000 3.220 251 W HA 0.380 5.039 4.660 -0.001 0.000 0.328 251 W C 0.197 176.793 176.519 0.128 0.000 1.205 251 W CA -0.763 56.701 57.345 0.198 0.000 1.773 251 W CB -0.719 28.944 29.460 0.338 0.000 1.086 251 W HN -0.071 nan 8.180 nan 0.000 0.622 252 D N 1.957 122.085 120.400 -0.454 0.000 2.402 252 D HA -0.028 4.611 4.640 -0.001 0.000 0.235 252 D C 1.064 177.338 176.300 -0.043 0.000 1.226 252 D CA 0.216 54.099 54.000 -0.195 0.000 0.918 252 D CB 0.263 40.851 40.800 -0.353 0.000 1.043 252 D HN 0.095 nan 8.370 nan 0.000 0.506 253 N N 3.764 122.500 118.700 0.061 0.000 2.188 253 N HA -0.151 4.588 4.740 -0.001 0.000 0.184 253 N C 1.447 176.978 175.510 0.035 0.000 1.018 253 N CA 1.194 54.274 53.050 0.050 0.000 0.858 253 N CB 0.135 38.673 38.487 0.085 0.000 0.989 253 N HN 0.352 nan 8.380 nan 0.000 0.426 254 K N -1.354 119.072 120.400 0.044 0.000 2.137 254 K HA 0.075 4.394 4.320 -0.001 0.000 0.202 254 K C 0.575 177.191 176.600 0.028 0.000 1.052 254 K CA 1.005 57.314 56.287 0.038 0.000 0.961 254 K CB 0.060 32.587 32.500 0.046 0.000 0.741 254 K HN 0.273 nan 8.250 nan 0.000 0.452 255 G N 0.967 109.777 108.800 0.015 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 0.133 175.041 174.900 0.013 0.000 0.991 255 G CA 0.317 45.425 45.100 0.012 0.000 0.653 255 G HN 0.365 nan 8.290 nan 0.000 0.518 256 D N 0.678 121.087 120.400 0.016 0.000 2.310 256 D HA -0.027 4.612 4.640 -0.001 0.000 0.212 256 D C 2.563 178.860 176.300 -0.005 0.000 0.965 256 D CA 1.738 55.745 54.000 0.013 0.000 0.879 256 D CB -0.191 40.623 40.800 0.024 0.000 0.921 256 D HN 0.672 nan 8.370 nan 0.000 0.510 257 T N -2.097 112.446 114.554 -0.018 0.000 3.100 257 T HA 0.317 4.666 4.350 -0.001 0.000 0.253 257 T C 0.976 175.648 174.700 -0.047 0.000 1.118 257 T CA -0.105 61.967 62.100 -0.046 0.000 1.058 257 T CB 0.033 68.862 68.868 -0.065 0.000 0.953 257 T HN 0.060 nan 8.240 nan 0.000 0.515 258 A N 1.448 124.263 122.820 -0.008 0.000 2.540 258 A HA 0.550 4.869 4.320 -0.001 0.000 0.239 258 A C -0.271 177.339 177.584 0.044 0.000 1.061 258 A CA -0.321 51.740 52.037 0.039 0.000 0.758 258 A CB -0.126 18.923 19.000 0.081 0.000 0.991 258 A HN 0.548 nan 8.150 nan 0.000 0.502 259 L N 2.702 123.970 121.223 0.076 0.000 2.410 259 L HA 0.580 4.920 4.340 -0.001 0.000 0.270 259 L C -0.661 176.271 176.870 0.104 0.000 0.983 259 L CA -0.580 54.300 54.840 0.065 0.000 0.822 259 L CB 1.502 43.563 42.059 0.004 0.000 1.285 259 L HN 0.660 nan 8.230 nan 0.000 0.409 260 F N 3.735 123.652 119.950 -0.054 0.000 2.578 260 F HA 0.424 4.950 4.527 -0.001 0.000 0.381 260 F C 0.017 175.707 175.800 -0.183 0.000 1.069 260 F CA 0.742 58.678 58.000 -0.107 0.000 1.231 260 F CB 0.487 39.445 39.000 -0.070 0.000 1.086 260 F HN 0.560 nan 8.300 nan 0.000 0.564 261 T N 5.299 119.271 114.554 -0.970 0.000 2.861 261 T HA 0.207 4.556 4.350 -0.001 0.000 0.287 261 T C -1.654 172.419 174.700 -1.045 0.000 1.003 261 T CA -0.482 61.133 62.100 -0.809 0.000 0.977 261 T CB 0.928 69.313 68.868 -0.805 0.000 0.996 261 T HN 0.616 nan 8.240 nan 0.000 0.448 262 H N 2.768 121.532 119.070 -0.510 0.000 2.551 262 H HA 0.615 5.171 4.556 -0.001 0.000 0.321 262 H C -0.393 174.753 175.328 -0.304 0.000 1.028 262 H CA -0.737 55.130 56.048 -0.302 0.000 1.215 262 H CB 0.734 30.539 29.762 0.071 0.000 1.414 262 H HN 0.476 nan 8.280 nan 0.000 0.480 263 M N 6.878 126.177 119.600 -0.501 0.000 2.144 263 M HA 0.286 4.765 4.480 -0.001 0.000 0.356 263 M C -0.893 175.178 176.300 -0.381 0.000 1.217 263 M CA -0.538 54.531 55.300 -0.386 0.000 1.087 263 M CB 0.643 33.061 32.600 -0.304 0.000 1.609 263 M HN 0.678 nan 8.290 nan 0.000 0.467 264 M N 6.707 126.172 119.600 -0.224 0.000 2.240 264 M HA 0.192 4.672 4.480 -0.001 0.000 0.333 264 M C -1.582 174.583 176.300 -0.224 0.000 1.110 264 M CA -1.210 53.998 55.300 -0.154 0.000 1.173 264 M CB 0.469 33.000 32.600 -0.114 0.000 1.458 264 M HN 0.485 nan 8.290 nan 0.000 0.458 265 P HA 0.128 nan 4.420 nan 0.000 0.245 265 P C -0.362 176.720 177.300 -0.363 0.000 1.199 265 P CA 0.846 63.614 63.100 -0.553 0.000 0.807 265 P CB 0.377 31.419 31.700 -1.096 0.000 1.002 266 F N -1.797 118.161 119.950 0.012 0.000 2.629 266 F HA 0.308 4.834 4.527 -0.001 0.000 0.386 266 F C 2.017 177.907 175.800 0.149 0.000 1.135 266 F CA -1.294 56.753 58.000 0.079 0.000 1.116 266 F CB -0.894 38.090 39.000 -0.026 0.000 1.426 266 F HN -0.319 nan 8.300 nan 0.000 0.501 267 Y N -0.121 120.322 120.300 0.238 0.000 2.395 267 Y HA 0.190 4.739 4.550 -0.001 0.000 0.293 267 Y C 0.839 176.656 175.900 -0.138 0.000 1.123 267 Y CA 1.185 59.288 58.100 0.005 0.000 1.227 267 Y CB 0.158 38.535 38.460 -0.139 0.000 1.012 267 Y HN 0.359 nan 8.280 nan 0.000 0.552 268 S N -1.768 113.806 115.700 -0.211 0.000 2.638 268 S HA 0.233 4.702 4.470 -0.001 0.000 0.274 268 S C -0.392 174.140 174.600 -0.114 0.000 1.157 268 S CA -0.370 57.608 58.200 -0.369 0.000 0.826 268 S CB 0.215 63.134 63.200 -0.467 0.000 1.139 268 S HN 0.284 nan 8.310 nan 0.000 0.474 269 Y N 0.829 121.096 120.300 -0.055 0.000 2.466 269 Y HA 0.311 4.861 4.550 -0.001 0.000 0.272 269 Y C 0.463 176.452 175.900 0.148 0.000 1.169 269 Y CA -0.469 57.628 58.100 -0.006 0.000 1.285 269 Y CB -0.966 37.400 38.460 -0.156 0.000 1.078 269 Y HN 0.546 nan 8.280 nan 0.000 0.523 270 D N 0.757 121.162 120.400 0.008 0.000 2.371 270 D HA -0.038 4.601 4.640 -0.001 0.000 0.242 270 D C 1.250 177.682 176.300 0.219 0.000 1.218 270 D CA -0.370 53.729 54.000 0.165 0.000 0.945 270 D CB 0.824 41.678 40.800 0.091 0.000 1.137 270 D HN 0.264 nan 8.370 nan 0.000 0.464 271 I N -0.153 120.523 120.570 0.177 0.000 2.208 271 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 271 I C -0.740 175.418 176.117 0.068 0.000 1.097 271 I CA 0.914 62.303 61.300 0.148 0.000 1.363 271 I CB -1.174 36.901 38.000 0.126 0.000 1.051 271 I HN 0.348 nan 8.210 nan 0.000 0.413 272 P HA -0.148 nan 4.420 nan 0.000 0.221 272 P C 0.587 177.585 177.300 -0.502 0.000 1.145 272 P CA 1.594 64.517 63.100 -0.294 0.000 0.795 272 P CB -0.084 31.435 31.700 -0.301 0.000 0.775 273 H N -3.093 115.970 119.070 -0.011 0.000 2.486 273 H HA 0.218 4.773 4.556 -0.001 0.000 0.284 273 H C 0.907 176.322 175.328 0.144 0.000 1.103 273 H CA 0.548 56.598 56.048 0.003 0.000 1.089 273 H CB -0.144 29.689 29.762 0.117 0.000 1.603 273 H HN 0.094 nan 8.280 nan 0.000 0.557 274 T N -4.210 110.459 114.554 0.192 0.000 2.986 274 T HA -0.028 4.321 4.350 -0.001 0.000 0.264 274 T C 1.819 176.645 174.700 0.209 0.000 0.964 274 T CA 0.368 62.614 62.100 0.243 0.000 0.895 274 T CB -0.671 68.333 68.868 0.226 0.000 1.163 274 T HN 0.500 nan 8.240 nan 0.000 0.517 275 c N 1.743 120.433 118.600 0.150 0.000 2.495 275 c HA 0.689 5.258 4.570 -0.001 0.000 0.275 275 c C 1.349 175.555 174.090 0.194 0.000 1.392 275 c CA 0.482 56.937 56.329 0.209 0.000 1.766 275 c CB -1.197 41.403 42.510 0.150 0.000 1.933 275 c HN 0.885 nan 8.230 nan 0.000 0.519 276 G N -0.385 108.437 108.800 0.036 0.000 2.315 276 G HA2 0.367 4.326 3.960 -0.001 0.000 0.294 276 G HA3 0.367 4.326 3.960 -0.001 0.000 0.294 276 G C -2.694 171.755 174.900 -0.752 0.000 1.300 276 G CA 0.242 45.285 45.100 -0.095 0.000 0.843 276 G HN -0.094 nan 8.290 nan 0.000 0.527 277 P HA 0.092 nan 4.420 nan 0.000 0.229 277 P C -0.144 176.746 177.300 -0.683 0.000 1.160 277 P CA 1.040 63.465 63.100 -1.124 0.000 0.777 277 P CB 0.389 31.753 31.700 -0.560 0.000 0.814 278 D N 0.904 121.008 120.400 -0.494 0.000 2.454 278 D HA 0.141 4.781 4.640 -0.001 0.000 0.225 278 D C -1.451 174.508 176.300 -0.569 0.000 1.081 278 D CA -2.616 51.136 54.000 -0.413 0.000 0.864 278 D CB 1.420 42.061 40.800 -0.264 0.000 1.040 278 D HN -0.009 nan 8.370 nan 0.000 0.517 279 P HA -0.156 nan 4.420 nan 0.000 0.220 279 P C 1.216 177.711 177.300 -1.342 0.000 1.148 279 P CA 0.743 63.088 63.100 -1.258 0.000 0.803 279 P CB 0.506 31.168 31.700 -1.730 0.000 0.782 280 K N 0.252 120.003 120.400 -1.083 0.000 2.148 280 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 280 K C 1.798 178.211 176.600 -0.310 0.000 1.050 280 K CA 0.974 56.916 56.287 -0.575 0.000 0.942 280 K CB -0.189 32.162 32.500 -0.249 0.000 0.724 280 K HN -0.057 nan 8.250 nan 0.000 0.446 281 V N 0.504 120.242 119.914 -0.292 0.000 2.331 281 V HA -0.239 3.881 4.120 -0.001 0.000 0.242 281 V C 2.423 178.488 176.094 -0.049 0.000 1.034 281 V CA 1.396 63.620 62.300 -0.127 0.000 1.027 281 V CB -0.359 31.407 31.823 -0.096 0.000 0.667 281 V HN 0.469 nan 8.190 nan 0.000 0.457 282 c N -0.635 117.866 118.600 -0.167 0.000 2.411 282 c HA -0.217 4.353 4.570 -0.001 0.000 0.279 282 c C 2.989 177.048 174.090 -0.052 0.000 1.288 282 c CA 0.854 57.148 56.329 -0.060 0.000 1.764 282 c CB -1.536 40.857 42.510 -0.195 0.000 1.974 282 c HN 0.768 nan 8.230 nan 0.000 0.498 283 c N 0.812 119.290 118.600 -0.202 0.000 2.410 283 c HA -0.154 4.416 4.570 -0.001 0.000 0.281 283 c C 2.584 176.562 174.090 -0.186 0.000 1.318 283 c CA 1.252 57.511 56.329 -0.118 0.000 1.776 283 c CB -1.473 41.041 42.510 0.007 0.000 1.942 283 c HN 0.643 nan 8.230 nan 0.000 0.508 284 Q N -1.413 118.218 119.800 -0.281 0.000 2.515 284 Q HA 0.003 4.343 4.340 -0.001 0.000 0.212 284 Q C 0.598 175.925 176.000 -1.122 0.000 0.970 284 Q CA 0.904 56.350 55.803 -0.594 0.000 0.941 284 Q CB -0.004 28.363 28.738 -0.617 0.000 0.998 284 Q HN 0.741 nan 8.270 nan 0.000 0.518 285 F N -0.236 119.428 119.950 -0.478 0.000 2.668 285 F HA 0.170 4.696 4.527 -0.001 0.000 0.301 285 F C 0.211 175.750 175.800 -0.435 0.000 1.106 285 F CA -0.593 57.035 58.000 -0.620 0.000 1.289 285 F CB 0.777 39.656 39.000 -0.203 0.000 1.006 285 F HN -0.142 nan 8.300 nan 0.000 0.535 286 D N 0.071 120.254 120.400 -0.361 0.000 2.473 286 D HA 0.138 4.777 4.640 -0.001 0.000 0.226 286 D C 0.476 176.599 176.300 -0.294 0.000 1.089 286 D CA -0.361 53.547 54.000 -0.153 0.000 0.883 286 D CB 0.168 40.926 40.800 -0.069 0.000 1.029 286 D HN 0.083 nan 8.370 nan 0.000 0.517 287 F N 1.829 121.788 119.950 0.015 0.000 2.771 287 F HA 0.097 4.624 4.527 -0.001 0.000 0.299 287 F C 2.324 178.081 175.800 -0.072 0.000 1.177 287 F CA 0.309 58.293 58.000 -0.028 0.000 1.450 287 F CB 0.083 39.088 39.000 0.009 0.000 1.114 287 F HN 0.262 nan 8.300 nan 0.000 0.587 288 K N 0.684 121.030 120.400 -0.091 0.000 2.487 288 K HA 0.059 4.378 4.320 -0.001 0.000 0.192 288 K C 0.997 177.567 176.600 -0.050 0.000 1.027 288 K CA 0.245 56.355 56.287 -0.295 0.000 1.054 288 K CB 0.124 32.306 32.500 -0.531 0.000 0.824 288 K HN 0.188 nan 8.250 nan 0.000 0.510 289 R N 0.080 120.569 120.500 -0.017 0.000 2.702 289 R HA 0.213 4.552 4.340 -0.001 0.000 0.314 289 R C 0.853 177.174 176.300 0.035 0.000 1.152 289 R CA -0.183 55.926 56.100 0.015 0.000 1.097 289 R CB 0.257 30.543 30.300 -0.024 0.000 1.343 289 R HN 0.178 nan 8.270 nan 0.000 0.575 290 M N -1.002 118.654 119.600 0.094 0.000 2.502 290 M HA 0.154 4.633 4.480 -0.001 0.000 0.243 290 M C 1.157 177.494 176.300 0.061 0.000 1.130 290 M CA 0.836 56.177 55.300 0.068 0.000 1.055 290 M CB 0.860 33.516 32.600 0.093 0.000 1.457 290 M HN 0.533 nan 8.290 nan 0.000 0.488 291 G N -0.076 108.777 108.800 0.089 0.000 3.180 291 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.197 291 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.197 291 G C 0.979 175.890 174.900 0.019 0.000 1.149 291 G CA 0.250 45.377 45.100 0.045 0.000 0.847 291 G HN 0.402 nan 8.290 nan 0.000 0.469 292 S N 0.331 116.007 115.700 -0.040 0.000 2.469 292 S HA 0.159 4.628 4.470 -0.001 0.000 0.238 292 S C 1.727 176.156 174.600 -0.285 0.000 0.998 292 S CA 1.635 59.718 58.200 -0.195 0.000 0.957 292 S CB -0.437 62.571 63.200 -0.320 0.000 0.764 292 S HN 0.394 nan 8.310 nan 0.000 0.514 293 F N 1.788 121.733 119.950 -0.008 0.000 2.693 293 F HA 0.437 4.963 4.527 -0.001 0.000 0.303 293 F C 1.879 177.674 175.800 -0.008 0.000 1.097 293 F CA -0.111 57.882 58.000 -0.011 0.000 1.330 293 F CB -0.160 38.830 39.000 -0.017 0.000 1.067 293 F HN 0.352 nan 8.300 nan 0.000 0.565 294 G N 1.120 109.992 108.800 0.120 0.000 2.160 294 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 294 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 294 G C -0.084 174.863 174.900 0.079 0.000 1.008 294 G CA 0.140 45.285 45.100 0.076 0.000 0.724 294 G HN 0.320 nan 8.290 nan 0.000 0.514 295 L N 0.037 121.319 121.223 0.099 0.000 2.323 295 L HA 0.869 5.209 4.340 -0.001 0.000 0.265 295 L C 0.496 177.395 176.870 0.049 0.000 1.012 295 L CA -0.391 54.489 54.840 0.067 0.000 0.820 295 L CB 2.345 44.439 42.059 0.060 0.000 1.334 295 L HN 0.451 nan 8.230 nan 0.000 0.427 296 S N -0.763 114.954 115.700 0.028 0.000 2.688 296 S HA 0.539 5.008 4.470 -0.001 0.000 0.275 296 S C -1.257 173.355 174.600 0.019 0.000 1.175 296 S CA -0.814 57.395 58.200 0.015 0.000 0.818 296 S CB 1.592 64.792 63.200 0.000 0.000 1.157 296 S HN 0.526 nan 8.310 nan 0.000 0.482 297 c N 2.924 121.540 118.600 0.026 0.000 2.285 297 c HA 0.572 5.141 4.570 -0.001 0.000 0.335 297 c C -1.132 172.951 174.090 -0.013 0.000 1.267 297 c CA -1.148 55.236 56.329 0.091 0.000 1.762 297 c CB 0.851 43.451 42.510 0.149 0.000 2.365 297 c HN 0.765 nan 8.230 nan 0.000 0.527 298 P HA -0.061 nan 4.420 nan 0.000 0.230 298 P C 1.080 178.105 177.300 -0.459 0.000 1.158 298 P CA 1.151 63.987 63.100 -0.440 0.000 0.769 298 P CB 0.075 31.361 31.700 -0.691 0.000 0.807 299 W N 0.651 121.926 121.300 -0.042 0.000 3.180 299 W HA 0.173 4.833 4.660 -0.001 0.000 0.254 299 W C 0.605 177.095 176.519 -0.049 0.000 1.318 299 W CA 0.104 57.420 57.345 -0.049 0.000 1.608 299 W CB -0.492 28.929 29.460 -0.065 0.000 1.124 299 W HN 0.136 nan 8.180 nan 0.000 0.694 300 K N -0.939 119.513 120.400 0.087 0.000 3.446 300 K HA -0.181 4.139 4.320 -0.001 0.000 0.312 300 K C -0.395 176.225 176.600 0.034 0.000 1.329 300 K CA 0.487 56.795 56.287 0.035 0.000 0.935 300 K CB -1.976 30.532 32.500 0.013 0.000 1.281 300 K HN -0.111 nan 8.250 nan 0.000 0.457 301 V N 1.697 121.642 119.914 0.050 0.000 2.407 301 V HA 0.351 4.471 4.120 -0.001 0.000 0.291 301 V C -1.800 174.275 176.094 -0.031 0.000 1.018 301 V CA -1.493 60.807 62.300 -0.001 0.000 0.842 301 V CB 1.531 33.346 31.823 -0.013 0.000 0.996 301 V HN -0.021 nan 8.190 nan 0.000 0.426 302 P HA 0.482 nan 4.420 nan 0.000 0.281 302 P C -2.902 174.299 177.300 -0.165 0.000 1.264 302 P CA -2.238 60.812 63.100 -0.083 0.000 0.824 302 P CB 0.915 32.583 31.700 -0.054 0.000 1.092 303 P HA 0.313 nan 4.420 nan 0.000 0.274 303 P C -0.337 176.852 177.300 -0.185 0.000 1.237 303 P CA 0.017 62.893 63.100 -0.374 0.000 0.793 303 P CB 0.708 32.117 31.700 -0.485 0.000 0.977 304 R N 0.085 120.490 120.500 -0.157 0.000 2.686 304 R HA 0.413 4.752 4.340 -0.001 0.000 0.286 304 R C -0.312 176.048 176.300 0.100 0.000 0.969 304 R CA -0.656 55.428 56.100 -0.028 0.000 0.898 304 R CB 1.417 31.680 30.300 -0.062 0.000 1.183 304 R HN 0.358 nan 8.270 nan 0.000 0.456 305 T N 3.851 118.461 114.554 0.093 0.000 2.905 305 T HA 0.032 4.382 4.350 -0.001 0.000 0.299 305 T C 0.721 175.420 174.700 -0.001 0.000 1.024 305 T CA 0.159 62.293 62.100 0.057 0.000 1.151 305 T CB 0.132 69.010 68.868 0.016 0.000 0.987 305 T HN 0.188 nan 8.240 nan 0.000 0.535 306 I N 3.937 124.459 120.570 -0.080 0.000 2.496 306 I HA 0.247 4.417 4.170 -0.001 0.000 0.285 306 I C 0.993 177.065 176.117 -0.076 0.000 1.080 306 I CA 0.067 61.316 61.300 -0.085 0.000 1.404 306 I CB 0.312 38.217 38.000 -0.158 0.000 1.403 306 I HN 0.769 nan 8.210 nan 0.000 0.539 307 S N 3.855 119.521 115.700 -0.057 0.000 2.667 307 S HA 0.439 4.909 4.470 -0.001 0.000 0.292 307 S C 0.307 174.878 174.600 -0.047 0.000 1.126 307 S CA -0.767 57.407 58.200 -0.044 0.000 0.881 307 S CB 2.165 65.346 63.200 -0.031 0.000 1.132 307 S HN 0.507 nan 8.310 nan 0.000 0.492 308 D N 0.603 120.984 120.400 -0.031 0.000 2.263 308 D HA -0.032 4.608 4.640 -0.001 0.000 0.208 308 D C 1.436 177.714 176.300 -0.037 0.000 0.971 308 D CA 1.232 55.215 54.000 -0.028 0.000 0.867 308 D CB -0.164 40.633 40.800 -0.004 0.000 0.929 308 D HN 0.520 nan 8.370 nan 0.000 0.492 309 Q N 0.148 119.929 119.800 -0.033 0.000 2.331 309 Q HA -0.010 4.329 4.340 -0.001 0.000 0.203 309 Q C 1.237 177.213 176.000 -0.040 0.000 0.944 309 Q CA 0.727 56.512 55.803 -0.029 0.000 0.892 309 Q CB -0.005 28.721 28.738 -0.019 0.000 0.983 309 Q HN 0.339 nan 8.270 nan 0.000 0.482 310 N N -1.593 117.076 118.700 -0.051 0.000 2.171 310 N HA -0.008 4.731 4.740 -0.001 0.000 0.212 310 N C 1.030 176.492 175.510 -0.081 0.000 1.184 310 N CA 0.093 53.112 53.050 -0.052 0.000 0.888 310 N CB -0.174 38.290 38.487 -0.038 0.000 1.038 310 N HN 0.041 nan 8.380 nan 0.000 0.517 311 V N 0.465 120.297 119.914 -0.137 0.000 2.407 311 V HA -0.068 4.052 4.120 -0.001 0.000 0.248 311 V C 2.241 178.124 176.094 -0.351 0.000 1.055 311 V CA 2.023 64.190 62.300 -0.222 0.000 1.049 311 V CB -0.838 30.832 31.823 -0.255 0.000 0.662 311 V HN 0.433 nan 8.190 nan 0.000 0.455 312 A N -0.150 122.441 122.820 -0.382 0.000 1.877 312 A HA -0.051 4.268 4.320 -0.001 0.000 0.216 312 A C 2.416 180.023 177.584 0.039 0.000 1.186 312 A CA 2.172 54.095 52.037 -0.190 0.000 0.620 312 A CB -1.008 17.986 19.000 -0.010 0.000 0.822 312 A HN 0.794 nan 8.150 nan 0.000 0.443 313 A N -0.636 122.191 122.820 0.011 0.000 1.930 313 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 313 A C 2.224 179.843 177.584 0.058 0.000 1.175 313 A CA 1.258 53.322 52.037 0.045 0.000 0.627 313 A CB -0.399 18.612 19.000 0.019 0.000 0.815 313 A HN 0.408 nan 8.150 nan 0.000 0.443 314 R N 0.118 120.646 120.500 0.047 0.000 2.092 314 R HA -0.039 4.301 4.340 -0.001 0.000 0.231 314 R C 2.350 178.697 176.300 0.077 0.000 1.119 314 R CA 1.521 57.709 56.100 0.146 0.000 0.970 314 R CB -0.924 29.462 30.300 0.144 0.000 0.864 314 R HN 0.524 nan 8.270 nan 0.000 0.440 315 S N 1.336 117.028 115.700 -0.013 0.000 2.383 315 S HA -0.104 4.365 4.470 -0.001 0.000 0.227 315 S C 1.317 175.812 174.600 -0.174 0.000 1.026 315 S CA 1.209 59.316 58.200 -0.154 0.000 0.981 315 S CB -0.171 63.077 63.200 0.081 0.000 0.818 315 S HN 0.261 nan 8.310 nan 0.000 0.472 316 D N 1.681 122.151 120.400 0.118 0.000 2.104 316 D HA -0.076 4.564 4.640 -0.001 0.000 0.194 316 D C 1.886 178.188 176.300 0.005 0.000 0.994 316 D CA 0.885 55.005 54.000 0.200 0.000 0.830 316 D CB -0.399 40.526 40.800 0.208 0.000 0.959 316 D HN 0.300 nan 8.370 nan 0.000 0.452 317 L N -0.053 121.149 121.223 -0.034 0.000 2.056 317 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 317 L C 2.391 179.077 176.870 -0.308 0.000 1.078 317 L CA 0.470 55.265 54.840 -0.076 0.000 0.749 317 L CB -0.218 41.875 42.059 0.056 0.000 0.901 317 L HN 0.072 nan 8.230 nan 0.000 0.433 318 L N -0.912 119.945 121.223 -0.610 0.000 2.072 318 L HA -0.102 4.237 4.340 -0.001 0.000 0.205 318 L C 2.309 178.490 176.870 -1.149 0.000 1.079 318 L CA 1.496 55.648 54.840 -1.147 0.000 0.752 318 L CB -0.272 40.804 42.059 -1.638 0.000 0.906 318 L HN -0.095 nan 8.230 nan 0.000 0.436 319 V N -0.011 119.354 119.914 -0.916 0.000 2.407 319 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 319 V C 2.295 178.208 176.094 -0.301 0.000 1.055 319 V CA 1.914 63.816 62.300 -0.662 0.000 1.049 319 V CB -0.775 30.604 31.823 -0.740 0.000 0.662 319 V HN 0.590 nan 8.190 nan 0.000 0.455 320 D N -0.759 119.533 120.400 -0.179 0.000 2.117 320 D HA -0.211 4.428 4.640 -0.001 0.000 0.197 320 D C 2.228 178.501 176.300 -0.044 0.000 0.987 320 D CA 1.197 55.203 54.000 0.011 0.000 0.829 320 D CB -0.010 40.857 40.800 0.111 0.000 0.961 320 D HN 0.290 nan 8.370 nan 0.000 0.460 321 Q N -0.449 119.257 119.800 -0.157 0.000 2.050 321 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 321 Q C 2.159 178.178 176.000 0.032 0.000 0.980 321 Q CA 1.032 56.770 55.803 -0.108 0.000 0.840 321 Q CB -0.637 27.975 28.738 -0.210 0.000 0.898 321 Q HN 0.561 nan 8.270 nan 0.000 0.424 322 W N 1.472 122.667 121.300 -0.176 0.000 2.338 322 W HA -0.102 4.557 4.660 -0.001 0.000 0.304 322 W C 2.047 178.454 176.519 -0.186 0.000 1.212 322 W CA 0.757 58.000 57.345 -0.170 0.000 1.264 322 W CB -0.635 28.695 29.460 -0.216 0.000 1.142 322 W HN 0.224 nan 8.180 nan 0.000 0.512 323 K N 0.133 120.497 120.400 -0.061 0.000 2.217 323 K HA -0.117 4.202 4.320 -0.001 0.000 0.202 323 K C 1.918 178.375 176.600 -0.238 0.000 1.051 323 K CA 1.071 57.168 56.287 -0.317 0.000 0.952 323 K CB -0.177 31.785 32.500 -0.897 0.000 0.736 323 K HN 0.096 nan 8.250 nan 0.000 0.453 324 K N 1.080 121.432 120.400 -0.080 0.000 2.025 324 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 324 K C 2.107 178.780 176.600 0.120 0.000 1.049 324 K CA 1.135 57.496 56.287 0.122 0.000 0.933 324 K CB -0.003 32.580 32.500 0.137 0.000 0.714 324 K HN -0.001 nan 8.250 nan 0.000 0.438 325 K N 0.875 121.351 120.400 0.127 0.000 2.063 325 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 325 K C 2.041 178.762 176.600 0.201 0.000 1.048 325 K CA 1.414 57.805 56.287 0.172 0.000 0.928 325 K CB -0.133 32.488 32.500 0.201 0.000 0.713 325 K HN 0.151 nan 8.250 nan 0.000 0.442 326 A N 1.136 124.056 122.820 0.167 0.000 2.070 326 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 326 A C 1.733 179.485 177.584 0.279 0.000 1.159 326 A CA 1.354 53.525 52.037 0.222 0.000 0.656 326 A CB -0.338 18.744 19.000 0.137 0.000 0.800 326 A HN 0.317 nan 8.150 nan 0.000 0.453 327 E N 0.003 120.344 120.200 0.235 0.000 2.265 327 E HA -0.087 4.262 4.350 -0.001 0.000 0.196 327 E C 1.578 178.305 176.600 0.211 0.000 0.996 327 E CA 0.655 57.203 56.400 0.247 0.000 0.832 327 E CB -0.226 29.643 29.700 0.282 0.000 0.756 327 E HN 0.726 nan 8.360 nan 0.000 0.491 328 L N -0.562 120.745 121.223 0.139 0.000 2.591 328 L HA 0.047 4.386 4.340 -0.001 0.000 0.228 328 L C 0.168 176.844 176.870 -0.323 0.000 1.133 328 L CA 0.230 55.023 54.840 -0.078 0.000 0.880 328 L CB -0.087 41.805 42.059 -0.280 0.000 1.033 328 L HN -0.007 nan 8.230 nan 0.000 0.450 329 Y N -1.627 118.755 120.300 0.136 0.000 2.602 329 Y HA 0.377 4.926 4.550 -0.001 0.000 0.342 329 Y C 1.104 177.121 175.900 0.195 0.000 1.029 329 Y CA -0.987 57.214 58.100 0.169 0.000 1.080 329 Y CB 1.227 39.795 38.460 0.180 0.000 1.284 329 Y HN -0.278 nan 8.280 nan 0.000 0.485 330 R N -0.512 120.229 120.500 0.403 0.000 2.280 330 R HA 0.087 4.426 4.340 -0.001 0.000 0.195 330 R C 0.330 176.770 176.300 0.233 0.000 0.935 330 R CA 0.738 56.991 56.100 0.255 0.000 1.033 330 R CB 0.227 30.619 30.300 0.154 0.000 0.964 330 R HN 0.752 nan 8.270 nan 0.000 0.489 331 T N -0.944 113.788 114.554 0.297 0.000 2.922 331 T HA 0.109 4.458 4.350 -0.001 0.000 0.281 331 T C 0.628 175.472 174.700 0.239 0.000 1.005 331 T CA -0.947 61.290 62.100 0.228 0.000 0.982 331 T CB 1.207 70.187 68.868 0.186 0.000 1.158 331 T HN 0.072 nan 8.240 nan 0.000 0.566 332 N N 0.015 118.825 118.700 0.183 0.000 2.327 332 N HA 0.140 4.880 4.740 -0.001 0.000 0.231 332 N C -0.712 174.775 175.510 -0.039 0.000 1.130 332 N CA -0.365 52.756 53.050 0.118 0.000 0.845 332 N CB -0.118 38.353 38.487 -0.026 0.000 1.073 332 N HN 0.375 nan 8.380 nan 0.000 0.496 333 V N 1.332 121.256 119.914 0.017 0.000 2.409 333 V HA 0.408 4.528 4.120 -0.001 0.000 0.291 333 V C -0.616 175.552 176.094 0.122 0.000 1.020 333 V CA -0.967 61.340 62.300 0.011 0.000 0.848 333 V CB 1.516 33.328 31.823 -0.019 0.000 0.990 333 V HN 0.182 nan 8.190 nan 0.000 0.430 334 L N 5.784 127.015 121.223 0.012 0.000 2.341 334 L HA 0.688 5.027 4.340 -0.001 0.000 0.278 334 L C -0.829 175.903 176.870 -0.230 0.000 1.005 334 L CA -0.473 54.299 54.840 -0.112 0.000 0.818 334 L CB 1.659 43.550 42.059 -0.280 0.000 1.259 334 L HN 0.630 nan 8.230 nan 0.000 0.418 335 L N 6.357 127.239 121.223 -0.569 0.000 2.265 335 L HA 0.544 4.883 4.340 -0.001 0.000 0.288 335 L C -0.997 175.589 176.870 -0.474 0.000 1.058 335 L CA 0.170 54.522 54.840 -0.814 0.000 0.809 335 L CB 0.712 41.802 42.059 -1.615 0.000 1.179 335 L HN 0.442 nan 8.230 nan 0.000 0.429 336 I N 7.429 127.803 120.570 -0.327 0.000 2.502 336 I HA 0.340 4.509 4.170 -0.001 0.000 0.276 336 I C -2.288 173.812 176.117 -0.029 0.000 1.057 336 I CA -2.020 59.178 61.300 -0.170 0.000 1.163 336 I CB 1.019 38.886 38.000 -0.222 0.000 1.288 336 I HN 0.425 nan 8.210 nan 0.000 0.479 337 P HA 0.159 nan 4.420 nan 0.000 0.269 337 P C -0.440 177.038 177.300 0.296 0.000 1.209 337 P CA -0.223 63.012 63.100 0.226 0.000 0.776 337 P CB 0.851 32.727 31.700 0.292 0.000 0.876 338 L N 3.021 124.455 121.223 0.351 0.000 2.454 338 L HA 0.754 5.094 4.340 -0.001 0.000 0.258 338 L C -0.104 176.824 176.870 0.098 0.000 1.025 338 L CA 0.392 55.358 54.840 0.211 0.000 0.901 338 L CB 0.399 42.512 42.059 0.090 0.000 1.210 338 L HN 0.605 nan 8.230 nan 0.000 0.457 339 G N 1.608 110.356 108.800 -0.086 0.000 2.342 339 G HA2 0.478 4.437 3.960 -0.001 0.000 0.297 339 G HA3 0.478 4.437 3.960 -0.001 0.000 0.297 339 G C -2.185 172.605 174.900 -0.182 0.000 1.313 339 G CA -0.233 44.569 45.100 -0.497 0.000 0.830 339 G HN 0.375 nan 8.290 nan 0.000 0.506 340 D N -1.779 118.577 120.400 -0.074 0.000 3.010 340 D HA 0.306 4.946 4.640 -0.001 0.000 0.353 340 D C -1.503 174.936 176.300 0.231 0.000 1.415 340 D CA -0.438 53.702 54.000 0.234 0.000 0.864 340 D CB 1.303 42.189 40.800 0.143 0.000 1.445 340 D HN 0.219 nan 8.370 nan 0.000 0.516 341 D N 0.447 121.040 120.400 0.322 0.000 2.417 341 D HA 0.222 4.861 4.640 -0.001 0.000 0.250 341 D C 0.183 176.646 176.300 0.271 0.000 1.166 341 D CA 0.420 54.595 54.000 0.292 0.000 0.881 341 D CB -0.269 40.808 40.800 0.461 0.000 1.164 341 D HN 0.340 nan 8.370 nan 0.000 0.467 342 F N 0.275 120.280 119.950 0.093 0.000 3.079 342 F HA -0.308 4.218 4.527 -0.001 0.000 0.274 342 F C 1.130 176.965 175.800 0.058 0.000 0.940 342 F CA 0.618 58.652 58.000 0.057 0.000 0.932 342 F CB -0.938 38.084 39.000 0.036 0.000 0.891 342 F HN 0.226 nan 8.300 nan 0.000 0.722 343 R N -0.516 120.065 120.500 0.136 0.000 2.580 343 R HA 0.460 4.799 4.340 -0.001 0.000 0.267 343 R C 0.736 177.059 176.300 0.039 0.000 1.125 343 R CA -0.708 55.354 56.100 -0.063 0.000 1.188 343 R CB -0.106 30.036 30.300 -0.264 0.000 1.155 343 R HN 0.185 nan 8.270 nan 0.000 0.586 344 F N -0.699 119.092 119.950 -0.265 0.000 3.071 344 F HA -0.265 4.261 4.527 -0.001 0.000 0.295 344 F C 1.382 177.160 175.800 -0.035 0.000 0.919 344 F CA 1.024 58.696 58.000 -0.547 0.000 1.050 344 F CB -1.108 37.278 39.000 -1.023 0.000 1.040 344 F HN 0.602 nan 8.300 nan 0.000 0.692 345 K N -0.103 120.364 120.400 0.112 0.000 2.128 345 K HA 0.051 4.370 4.320 -0.001 0.000 0.202 345 K C 0.669 177.415 176.600 0.244 0.000 1.050 345 K CA 0.935 57.352 56.287 0.218 0.000 0.966 345 K CB 0.259 32.855 32.500 0.160 0.000 0.759 345 K HN 0.485 nan 8.250 nan 0.000 0.454 346 Q N 0.121 120.044 119.800 0.206 0.000 2.235 346 Q HA 0.186 4.525 4.340 -0.001 0.000 0.256 346 Q C 0.038 176.240 176.000 0.337 0.000 0.951 346 Q CA -0.391 55.555 55.803 0.239 0.000 0.890 346 Q CB 1.605 30.498 28.738 0.258 0.000 1.279 346 Q HN 0.207 nan 8.270 nan 0.000 0.444 347 N N 0.046 118.915 118.700 0.281 0.000 2.094 347 N HA -0.241 4.498 4.740 -0.001 0.000 0.191 347 N C 1.516 177.194 175.510 0.281 0.000 1.023 347 N CA 2.027 55.241 53.050 0.274 0.000 0.857 347 N CB -0.032 38.561 38.487 0.177 0.000 1.013 347 N HN 0.693 nan 8.380 nan 0.000 0.426 348 T N -1.321 113.389 114.554 0.260 0.000 2.833 348 T HA -0.162 4.188 4.350 -0.001 0.000 0.269 348 T C 1.639 176.536 174.700 0.328 0.000 1.054 348 T CA 1.106 63.376 62.100 0.283 0.000 1.135 348 T CB -0.200 68.828 68.868 0.267 0.000 0.869 348 T HN 0.328 nan 8.240 nan 0.000 0.466 349 E N -0.196 120.145 120.200 0.236 0.000 2.072 349 E HA -0.096 4.254 4.350 -0.001 0.000 0.190 349 E C 1.821 178.336 176.600 -0.141 0.000 0.982 349 E CA 0.690 57.001 56.400 -0.148 0.000 0.803 349 E CB -0.250 29.178 29.700 -0.453 0.000 0.755 349 E HN 0.693 nan 8.360 nan 0.000 0.453 350 W N 1.840 123.078 121.300 -0.104 0.000 2.335 350 W HA -0.198 4.461 4.660 -0.001 0.000 0.311 350 W C 2.120 178.505 176.519 -0.223 0.000 1.213 350 W CA 1.346 58.541 57.345 -0.250 0.000 1.274 350 W CB -0.251 28.714 29.460 -0.825 0.000 1.148 350 W HN 0.189 nan 8.180 nan 0.000 0.498 351 D N -0.631 119.863 120.400 0.157 0.000 2.117 351 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 351 D C 2.289 178.681 176.300 0.152 0.000 0.982 351 D CA 1.374 55.507 54.000 0.222 0.000 0.828 351 D CB -0.937 40.002 40.800 0.232 0.000 0.967 351 D HN 0.023 nan 8.370 nan 0.000 0.464 352 V N 1.030 121.021 119.914 0.128 0.000 2.427 352 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 352 V C 2.253 178.386 176.094 0.066 0.000 1.051 352 V CA 1.560 63.918 62.300 0.096 0.000 1.048 352 V CB -0.063 31.866 31.823 0.177 0.000 0.666 352 V HN 0.152 nan 8.190 nan 0.000 0.456 353 Q N -0.382 119.490 119.800 0.120 0.000 2.049 353 Q HA -0.176 4.164 4.340 -0.001 0.000 0.198 353 Q C 2.343 178.536 176.000 0.322 0.000 0.971 353 Q CA 1.786 57.752 55.803 0.273 0.000 0.833 353 Q CB -0.457 28.419 28.738 0.230 0.000 0.896 353 Q HN 0.608 nan 8.270 nan 0.000 0.434 354 R N 0.503 121.158 120.500 0.258 0.000 2.073 354 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 354 R C 2.236 178.705 176.300 0.282 0.000 1.134 354 R CA 1.325 57.630 56.100 0.340 0.000 0.952 354 R CB -0.060 30.432 30.300 0.320 0.000 0.850 354 R HN 0.053 nan 8.270 nan 0.000 0.433 355 V N 1.903 121.903 119.914 0.144 0.000 2.358 355 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 355 V C 2.004 178.037 176.094 -0.103 0.000 1.047 355 V CA 1.849 64.177 62.300 0.048 0.000 1.035 355 V CB -0.605 31.239 31.823 0.035 0.000 0.658 355 V HN 0.439 nan 8.190 nan 0.000 0.452 356 N N -0.636 117.887 118.700 -0.294 0.000 2.120 356 N HA -0.181 4.558 4.740 -0.001 0.000 0.188 356 N C 1.849 177.030 175.510 -0.549 0.000 1.024 356 N CA 1.701 54.362 53.050 -0.647 0.000 0.852 356 N CB -0.339 37.179 38.487 -1.615 0.000 1.003 356 N HN 0.523 nan 8.380 nan 0.000 0.424 357 Y N 1.871 121.962 120.300 -0.349 0.000 2.242 357 Y HA -0.075 4.474 4.550 -0.001 0.000 0.291 357 Y C 2.353 177.728 175.900 -0.875 0.000 1.137 357 Y CA 1.041 58.822 58.100 -0.530 0.000 1.181 357 Y CB -0.065 38.188 38.460 -0.345 0.000 0.989 357 Y HN 0.142 nan 8.280 nan 0.000 0.527 358 E N -0.324 119.708 120.200 -0.280 0.000 2.106 358 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 358 E C 2.198 178.739 176.600 -0.098 0.000 0.984 358 E CA 0.826 57.138 56.400 -0.146 0.000 0.806 358 E CB -0.108 29.657 29.700 0.108 0.000 0.750 358 E HN 0.461 nan 8.360 nan 0.000 0.458 359 R N 0.422 120.849 120.500 -0.123 0.000 2.081 359 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 359 R C 2.447 178.718 176.300 -0.049 0.000 1.131 359 R CA 0.984 57.042 56.100 -0.070 0.000 0.960 359 R CB -0.315 29.924 30.300 -0.101 0.000 0.856 359 R HN 0.161 nan 8.270 nan 0.000 0.436 360 L N -0.382 120.746 121.223 -0.158 0.000 2.017 360 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 360 L C 2.176 179.100 176.870 0.090 0.000 1.073 360 L CA 1.156 55.944 54.840 -0.087 0.000 0.745 360 L CB -0.422 41.502 42.059 -0.226 0.000 0.894 360 L HN 0.080 nan 8.230 nan 0.000 0.432 361 F N 0.259 120.226 119.950 0.029 0.000 2.134 361 F HA -0.219 4.308 4.527 -0.001 0.000 0.299 361 F C 2.643 178.452 175.800 0.015 0.000 1.097 361 F CA 1.369 59.374 58.000 0.009 0.000 1.264 361 F CB -0.989 37.976 39.000 -0.058 0.000 1.001 361 F HN 0.207 nan 8.300 nan 0.000 0.479 362 E N -0.780 119.550 120.200 0.218 0.000 2.077 362 E HA -0.283 4.066 4.350 -0.001 0.000 0.193 362 E C 2.196 178.877 176.600 0.136 0.000 0.989 362 E CA 1.430 57.916 56.400 0.145 0.000 0.800 362 E CB -0.219 29.550 29.700 0.114 0.000 0.746 362 E HN 0.507 nan 8.360 nan 0.000 0.452 363 H N 0.251 119.368 119.070 0.079 0.000 2.276 363 H HA -0.050 4.505 4.556 -0.001 0.000 0.301 363 H C 2.034 177.439 175.328 0.129 0.000 1.073 363 H CA 2.203 58.306 56.048 0.091 0.000 1.311 363 H CB -0.198 29.613 29.762 0.082 0.000 1.379 363 H HN 0.148 nan 8.280 nan 0.000 0.494 364 I N 0.489 121.125 120.570 0.110 0.000 2.208 364 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 364 I C 1.611 177.749 176.117 0.036 0.000 1.097 364 I CA 1.409 62.740 61.300 0.051 0.000 1.363 364 I CB -0.296 37.688 38.000 -0.027 0.000 1.051 364 I HN 0.373 nan 8.210 nan 0.000 0.413 365 N N 0.243 118.957 118.700 0.025 0.000 2.459 365 N HA -0.098 4.641 4.740 -0.001 0.000 0.181 365 N C 1.756 177.247 175.510 -0.033 0.000 1.046 365 N CA 1.389 54.429 53.050 -0.017 0.000 0.904 365 N CB -0.210 38.260 38.487 -0.028 0.000 0.964 365 N HN 0.402 nan 8.380 nan 0.000 0.444 366 S N -1.096 114.575 115.700 -0.048 0.000 2.556 366 S HA 0.160 4.630 4.470 -0.001 0.000 0.216 366 S C 0.510 175.048 174.600 -0.104 0.000 0.970 366 S CA -0.244 57.918 58.200 -0.063 0.000 0.912 366 S CB 0.319 63.494 63.200 -0.041 0.000 0.790 366 S HN -0.052 nan 8.310 nan 0.000 0.504 367 Q N 1.436 121.144 119.800 -0.154 0.000 2.456 367 Q HA 0.546 4.885 4.340 -0.001 0.000 0.234 367 Q C 1.036 176.887 176.000 -0.248 0.000 1.061 367 Q CA 0.080 55.739 55.803 -0.240 0.000 0.896 367 Q CB 1.132 29.599 28.738 -0.451 0.000 1.233 367 Q HN 0.443 nan 8.270 nan 0.000 0.506 368 A N 3.254 126.001 122.820 -0.122 0.000 1.958 368 A HA -0.261 4.058 4.320 -0.001 0.000 0.221 368 A C 1.682 179.207 177.584 -0.098 0.000 1.178 368 A CA 2.091 54.080 52.037 -0.081 0.000 0.642 368 A CB -0.825 18.156 19.000 -0.031 0.000 0.816 368 A HN 0.871 nan 8.150 nan 0.000 0.453 369 H N -2.573 116.419 119.070 -0.130 0.000 2.492 369 H HA -0.150 4.405 4.556 -0.001 0.000 0.296 369 H C 1.615 176.890 175.328 -0.088 0.000 1.095 369 H CA 1.566 57.527 56.048 -0.145 0.000 1.281 369 H CB -0.625 29.000 29.762 -0.229 0.000 1.374 369 H HN 0.472 nan 8.280 nan 0.000 0.545 370 F N 1.467 121.159 119.950 -0.429 0.000 2.259 370 F HA 0.003 4.530 4.527 -0.001 0.000 0.298 370 F C 1.033 176.787 175.800 -0.077 0.000 1.088 370 F CA 0.511 58.385 58.000 -0.211 0.000 1.358 370 F CB -0.388 38.452 39.000 -0.267 0.000 1.040 370 F HN 0.140 nan 8.300 nan 0.000 0.505 371 N N 0.536 119.290 118.700 0.089 0.000 2.725 371 N HA -0.168 4.572 4.740 -0.001 0.000 0.251 371 N C -0.995 174.503 175.510 -0.020 0.000 1.031 371 N CA 0.440 53.520 53.050 0.050 0.000 0.720 371 N CB -1.482 37.078 38.487 0.123 0.000 0.930 371 N HN 0.032 nan 8.380 nan 0.000 0.543 372 V N 0.682 120.576 119.914 -0.033 0.000 2.735 372 V HA 0.397 4.517 4.120 -0.001 0.000 0.310 372 V C 0.152 176.162 176.094 -0.141 0.000 1.061 372 V CA -0.652 61.574 62.300 -0.124 0.000 0.913 372 V CB 2.446 34.227 31.823 -0.070 0.000 1.005 372 V HN 0.187 nan 8.190 nan 0.000 0.428 373 Q N 3.191 122.850 119.800 -0.235 0.000 2.363 373 Q HA 0.747 5.086 4.340 -0.001 0.000 0.265 373 Q C -0.792 174.949 176.000 -0.430 0.000 1.032 373 Q CA -0.144 55.497 55.803 -0.270 0.000 0.746 373 Q CB 1.547 30.132 28.738 -0.256 0.000 1.237 373 Q HN 0.982 nan 8.270 nan 0.000 0.475 374 A N 4.256 126.805 122.820 -0.452 0.000 2.337 374 A HA 0.919 5.239 4.320 -0.001 0.000 0.329 374 A C -1.149 175.743 177.584 -1.155 0.000 1.146 374 A CA -0.495 51.098 52.037 -0.740 0.000 0.800 374 A CB 1.183 19.920 19.000 -0.438 0.000 1.220 374 A HN 0.769 nan 8.150 nan 0.000 0.472 375 Q N 1.035 120.066 119.800 -1.282 0.000 2.633 375 Q HA 0.432 4.771 4.340 -0.001 0.000 0.289 375 Q C -1.668 173.922 176.000 -0.682 0.000 0.940 375 Q CA -0.692 54.406 55.803 -1.175 0.000 0.785 375 Q CB 0.454 28.876 28.738 -0.526 0.000 1.467 375 Q HN 0.379 nan 8.270 nan 0.000 0.401 376 F N 0.565 120.453 119.950 -0.103 0.000 2.506 376 F HA 0.615 5.142 4.527 -0.001 0.000 0.351 376 F C 1.266 177.128 175.800 0.103 0.000 1.136 376 F CA 1.494 59.553 58.000 0.099 0.000 1.298 376 F CB 0.843 39.951 39.000 0.180 0.000 1.145 376 F HN 0.748 nan 8.300 nan 0.000 0.593 377 G N 0.189 109.180 108.800 0.320 0.000 2.687 377 G HA2 0.600 4.560 3.960 -0.001 0.000 0.291 377 G HA3 0.600 4.560 3.960 -0.001 0.000 0.291 377 G C -1.112 173.787 174.900 -0.001 0.000 1.420 377 G CA -0.650 44.559 45.100 0.182 0.000 0.796 377 G HN 0.718 nan 8.290 nan 0.000 0.485 378 T N -1.774 112.698 114.554 -0.137 0.000 2.948 378 T HA 0.468 4.817 4.350 -0.001 0.000 0.285 378 T C 1.302 175.853 174.700 -0.249 0.000 1.019 378 T CA -0.476 61.515 62.100 -0.182 0.000 1.013 378 T CB 1.561 70.336 68.868 -0.155 0.000 1.117 378 T HN 0.565 nan 8.240 nan 0.000 0.533 379 L N 0.571 121.652 121.223 -0.236 0.000 2.046 379 L HA 0.016 4.355 4.340 -0.001 0.000 0.208 379 L C 2.759 179.598 176.870 -0.051 0.000 1.077 379 L CA 1.987 56.717 54.840 -0.183 0.000 0.747 379 L CB -1.099 40.887 42.059 -0.122 0.000 0.896 379 L HN 0.898 nan 8.230 nan 0.000 0.432 380 Q N -0.095 119.698 119.800 -0.012 0.000 2.124 380 Q HA -0.218 4.121 4.340 -0.001 0.000 0.202 380 Q C 2.076 178.013 176.000 -0.104 0.000 0.977 380 Q CA 1.914 57.741 55.803 0.040 0.000 0.850 380 Q CB -0.170 28.563 28.738 -0.007 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.189 118.854 120.200 -0.262 0.000 2.077 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.666 177.831 176.600 -0.724 0.000 0.989 381 E CA 1.159 57.276 56.400 -0.472 0.000 0.800 381 E CB -0.290 29.033 29.700 -0.629 0.000 0.746 381 E HN 0.479 nan 8.360 nan 0.000 0.452 382 Y N 0.572 120.360 120.300 -0.854 0.000 2.097 382 Y HA -0.270 4.280 4.550 -0.001 0.000 0.282 382 Y C 1.869 177.490 175.900 -0.465 0.000 1.152 382 Y CA 1.609 59.249 58.100 -0.768 0.000 1.136 382 Y CB -0.486 37.540 38.460 -0.724 0.000 0.975 382 Y HN -0.062 nan 8.280 nan 0.000 0.498 383 F N 0.914 120.604 119.950 -0.434 0.000 2.134 383 F HA -0.175 4.351 4.527 -0.001 0.000 0.299 383 F C 2.245 177.816 175.800 -0.381 0.000 1.097 383 F CA 1.756 59.480 58.000 -0.461 0.000 1.264 383 F CB -0.861 38.066 39.000 -0.121 0.000 1.001 383 F HN 0.089 nan 8.300 nan 0.000 0.479 384 D N 0.078 120.433 120.400 -0.075 0.000 2.123 384 D HA -0.175 4.465 4.640 -0.001 0.000 0.196 384 D C 2.349 178.572 176.300 -0.127 0.000 0.992 384 D CA 1.534 55.494 54.000 -0.066 0.000 0.833 384 D CB -0.617 40.133 40.800 -0.083 0.000 0.954 384 D HN 0.246 nan 8.370 nan 0.000 0.455 385 A N 0.451 123.140 122.820 -0.218 0.000 1.930 385 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 385 A C 2.527 179.987 177.584 -0.206 0.000 1.175 385 A CA 0.951 52.902 52.037 -0.143 0.000 0.627 385 A CB -0.652 18.338 19.000 -0.016 0.000 0.815 385 A HN 0.136 nan 8.150 nan 0.000 0.443 386 V N -0.017 119.637 119.914 -0.434 0.000 2.332 386 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 386 V C 2.418 178.315 176.094 -0.327 0.000 1.055 386 V CA 2.164 64.203 62.300 -0.435 0.000 1.038 386 V CB -1.033 30.344 31.823 -0.743 0.000 0.651 386 V HN 0.655 nan 8.190 nan 0.000 0.450 387 H N -0.327 118.626 119.070 -0.195 0.000 2.462 387 H HA -0.069 4.487 4.556 -0.001 0.000 0.292 387 H C 2.412 177.704 175.328 -0.060 0.000 1.049 387 H CA 1.298 57.264 56.048 -0.137 0.000 1.334 387 H CB -0.074 29.570 29.762 -0.195 0.000 1.404 387 H HN 0.555 nan 8.280 nan 0.000 0.544 388 Q N 0.329 120.145 119.800 0.026 0.000 2.084 388 Q HA -0.080 4.259 4.340 -0.001 0.000 0.202 388 Q C 2.554 178.571 176.000 0.027 0.000 0.978 388 Q CA 1.396 57.211 55.803 0.020 0.000 0.844 388 Q CB -0.009 28.729 28.738 -0.000 0.000 0.898 388 Q HN 0.409 nan 8.270 nan 0.000 0.426 389 A N 0.983 123.814 122.820 0.019 0.000 1.898 389 A HA -0.256 4.064 4.320 -0.001 0.000 0.216 389 A C 1.938 179.552 177.584 0.051 0.000 1.181 389 A CA 1.582 53.644 52.037 0.040 0.000 0.620 389 A CB -0.552 18.475 19.000 0.046 0.000 0.819 389 A HN 0.439 nan 8.150 nan 0.000 0.442 390 E N -0.196 120.051 120.200 0.079 0.000 2.058 390 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 390 E C 2.225 178.864 176.600 0.066 0.000 0.997 390 E CA 1.203 57.659 56.400 0.094 0.000 0.801 390 E CB -0.135 29.727 29.700 0.270 0.000 0.746 390 E HN 0.572 nan 8.360 nan 0.000 0.450 391 R N -0.314 120.228 120.500 0.069 0.000 2.148 391 R HA -0.039 4.300 4.340 -0.001 0.000 0.227 391 R C 2.029 178.347 176.300 0.030 0.000 1.103 391 R CA 0.812 56.939 56.100 0.044 0.000 0.983 391 R CB -0.106 30.215 30.300 0.035 0.000 0.874 391 R HN 0.119 nan 8.270 nan 0.000 0.451 392 A N 0.266 123.105 122.820 0.031 0.000 2.259 392 A HA 0.195 4.514 4.320 -0.001 0.000 0.208 392 A C 1.325 178.922 177.584 0.021 0.000 1.201 392 A CA 0.716 52.769 52.037 0.026 0.000 0.824 392 A CB -0.177 18.843 19.000 0.034 0.000 0.838 392 A HN 0.437 nan 8.150 nan 0.000 0.485 393 G N -0.976 107.833 108.800 0.015 0.000 2.143 393 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.248 393 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.248 393 G C 0.768 175.664 174.900 -0.006 0.000 0.991 393 G CA 0.617 45.718 45.100 0.001 0.000 0.689 393 G HN 0.575 nan 8.290 nan 0.000 0.522 394 Q N -0.515 119.288 119.800 0.005 0.000 2.389 394 Q HA 0.507 4.847 4.340 -0.001 0.000 0.204 394 Q C 0.996 176.981 176.000 -0.025 0.000 0.944 394 Q CA 1.404 57.217 55.803 0.016 0.000 0.908 394 Q CB 0.031 28.810 28.738 0.068 0.000 1.002 394 Q HN 1.408 nan 8.270 nan 0.000 0.493 395 A N 0.819 123.580 122.820 -0.099 0.000 2.605 395 A HA 0.454 4.773 4.320 -0.001 0.000 0.294 395 A C -1.647 175.706 177.584 -0.385 0.000 1.062 395 A CA -0.879 51.011 52.037 -0.244 0.000 0.682 395 A CB 1.146 19.964 19.000 -0.304 0.000 1.278 395 A HN 0.280 nan 8.150 nan 0.000 0.410 396 E N 0.623 120.564 120.200 -0.431 0.000 2.317 396 E HA 0.786 5.135 4.350 -0.001 0.000 0.270 396 E C -1.714 174.638 176.600 -0.414 0.000 0.885 396 E CA -0.638 55.564 56.400 -0.329 0.000 0.760 396 E CB 1.835 31.474 29.700 -0.101 0.000 1.227 396 E HN 0.337 nan 8.360 nan 0.000 0.434 397 F N 1.445 121.502 119.950 0.178 0.000 2.492 397 F HA 0.443 4.970 4.527 -0.000 0.000 0.327 397 F C -1.948 173.955 175.800 0.171 0.000 1.079 397 F CA -2.358 55.771 58.000 0.214 0.000 0.967 397 F CB 1.295 40.501 39.000 0.343 0.000 1.169 397 F HN 0.344 nan 8.300 nan 0.000 0.472 398 P HA 0.192 nan 4.420 nan 0.000 0.274 398 P C -0.644 176.798 177.300 0.237 0.000 1.237 398 P CA -0.358 62.874 63.100 0.220 0.000 0.793 398 P CB 0.998 32.797 31.700 0.165 0.000 0.977 399 T N -0.406 114.240 114.554 0.153 0.000 2.907 399 T HA 0.680 5.030 4.350 -0.001 0.000 0.284 399 T C -0.293 174.442 174.700 0.057 0.000 1.004 399 T CA -0.799 61.384 62.100 0.139 0.000 1.063 399 T CB 1.048 69.975 68.868 0.098 0.000 0.992 399 T HN 0.470 nan 8.240 nan 0.000 0.483 400 L N 1.747 123.003 121.223 0.056 0.000 2.472 400 L HA 0.713 5.052 4.340 -0.001 0.000 0.260 400 L C -0.756 176.108 176.870 -0.009 0.000 0.963 400 L CA -0.413 54.352 54.840 -0.124 0.000 0.829 400 L CB 2.184 43.929 42.059 -0.523 0.000 1.348 400 L HN 1.115 nan 8.230 nan 0.000 0.408 401 S N 2.507 118.153 115.700 -0.090 0.000 2.595 401 S HA 1.061 5.530 4.470 -0.001 0.000 0.281 401 S C -0.341 174.182 174.600 -0.128 0.000 1.117 401 S CA -0.014 58.190 58.200 0.006 0.000 0.873 401 S CB 2.075 65.242 63.200 -0.054 0.000 1.108 401 S HN 1.712 nan 8.310 nan 0.000 0.477 402 G N 1.094 109.875 108.800 -0.031 0.000 2.343 402 G HA2 0.322 4.281 3.960 -0.001 0.000 0.562 402 G HA3 0.322 4.281 3.960 -0.001 0.000 0.562 402 G C -1.761 173.035 174.900 -0.173 0.000 1.269 402 G CA -0.014 44.971 45.100 -0.191 0.000 1.011 402 G HN 1.274 nan 8.290 nan 0.000 0.498 403 D N -1.727 118.445 120.400 -0.380 0.000 2.654 403 D HA 0.756 5.395 4.640 -0.001 0.000 0.255 403 D C -0.611 175.190 176.300 -0.832 0.000 1.101 403 D CA -1.057 52.737 54.000 -0.344 0.000 1.116 403 D CB 1.065 41.845 40.800 -0.034 0.000 1.348 403 D HN 0.386 nan 8.370 nan 0.000 0.609 404 F N -0.477 119.344 119.950 -0.216 0.000 2.679 404 F HA 0.403 4.930 4.527 -0.001 0.000 0.354 404 F C -0.980 174.649 175.800 -0.286 0.000 1.423 404 F CA -0.635 57.240 58.000 -0.208 0.000 1.141 404 F CB 0.182 39.092 39.000 -0.150 0.000 1.168 404 F HN 0.000 nan 8.300 nan 0.000 0.530 405 F N -0.749 119.383 119.950 0.304 0.000 2.561 405 F HA 0.570 5.097 4.527 -0.001 0.000 0.321 405 F C 0.523 176.586 175.800 0.438 0.000 1.065 405 F CA -1.411 56.838 58.000 0.415 0.000 0.934 405 F CB 1.685 40.923 39.000 0.396 0.000 1.215 405 F HN -0.280 nan 8.300 nan 0.000 0.471 406 T N 1.778 116.717 114.554 0.641 0.000 2.806 406 T HA 0.172 4.522 4.350 -0.001 0.000 0.290 406 T C -0.972 174.187 174.700 0.764 0.000 0.966 406 T CA -0.200 62.340 62.100 0.733 0.000 1.060 406 T CB 0.207 69.373 68.868 0.497 0.000 0.927 406 T HN 0.371 nan 8.240 nan 0.000 0.485 407 Y N 2.932 123.558 120.300 0.543 0.000 2.511 407 Y HA 0.423 4.973 4.550 -0.001 0.000 0.332 407 Y C -0.131 175.804 175.900 0.058 0.000 1.177 407 Y CA -1.122 57.120 58.100 0.237 0.000 1.422 407 Y CB 0.103 38.581 38.460 0.030 0.000 1.271 407 Y HN 0.685 nan 8.280 nan 0.000 0.550 408 A N 5.175 127.532 122.820 -0.771 0.000 2.374 408 A HA 0.364 4.684 4.320 -0.001 0.000 0.305 408 A C -0.046 176.920 177.584 -1.030 0.000 1.053 408 A CA -0.267 51.170 52.037 -1.000 0.000 0.726 408 A CB 0.718 18.874 19.000 -1.407 0.000 1.229 408 A HN 0.802 nan 8.150 nan 0.000 0.431 409 D N 1.492 121.447 120.400 -0.741 0.000 2.346 409 D HA 0.051 4.690 4.640 -0.001 0.000 0.206 409 D C 0.514 176.830 176.300 0.027 0.000 1.001 409 D CA 0.527 54.342 54.000 -0.308 0.000 0.871 409 D CB 0.164 40.902 40.800 -0.105 0.000 0.943 409 D HN 0.732 nan 8.370 nan 0.000 0.518 410 R N -2.300 118.164 120.500 -0.061 0.000 2.687 410 R HA 0.396 4.736 4.340 -0.001 0.000 0.265 410 R C -0.176 176.037 176.300 -0.145 0.000 1.048 410 R CA -0.187 55.731 56.100 -0.303 0.000 0.884 410 R CB 0.794 31.000 30.300 -0.157 0.000 1.258 410 R HN -0.124 nan 8.270 nan 0.000 0.469 411 S N 0.303 115.880 115.700 -0.204 0.000 4.054 411 S HA -0.297 4.172 4.470 -0.001 0.000 0.618 411 S C 0.431 175.125 174.600 0.156 0.000 2.026 411 S CA 1.970 60.185 58.200 0.026 0.000 4.205 411 S CB -1.066 62.129 63.200 -0.009 0.000 0.233 411 S HN 1.097 nan 8.310 nan 0.000 0.612 412 D N 1.437 121.912 120.400 0.125 0.000 2.463 412 D HA 0.198 4.838 4.640 -0.001 0.000 0.224 412 D C -0.016 176.395 176.300 0.185 0.000 1.174 412 D CA -0.142 53.994 54.000 0.226 0.000 0.829 412 D CB -1.408 39.511 40.800 0.199 0.000 0.993 412 D HN 0.505 nan 8.370 nan 0.000 0.497 413 N N 0.937 119.651 118.700 0.023 0.000 2.807 413 N HA 0.061 4.801 4.740 -0.001 0.000 0.259 413 N C -0.951 174.585 175.510 0.043 0.000 1.149 413 N CA -0.330 52.739 53.050 0.032 0.000 1.042 413 N CB 0.182 38.675 38.487 0.010 0.000 1.367 413 N HN 0.129 nan 8.380 nan 0.000 0.516 414 Y N 0.181 120.578 120.300 0.161 0.000 2.316 414 Y HA 0.117 4.667 4.550 -0.001 0.000 0.331 414 Y C 0.108 176.216 175.900 0.348 0.000 1.083 414 Y CA -0.655 57.602 58.100 0.262 0.000 1.206 414 Y CB 0.595 39.151 38.460 0.159 0.000 1.195 414 Y HN 0.398 nan 8.280 nan 0.000 0.497 415 W N 2.375 123.805 121.300 0.215 0.000 1.694 415 W HA 0.220 4.879 4.660 -0.001 0.000 0.425 415 W C 0.861 177.420 176.519 0.067 0.000 0.615 415 W CA -0.554 56.947 57.345 0.260 0.000 2.237 415 W CB -0.518 29.196 29.460 0.423 0.000 1.478 415 W HN 0.546 nan 8.180 nan 0.000 0.427 416 S N -2.093 113.640 115.700 0.055 0.000 2.535 416 S HA 0.124 4.594 4.470 -0.001 0.000 0.214 416 S C 1.958 176.293 174.600 -0.442 0.000 0.980 416 S CA 0.338 58.203 58.200 -0.558 0.000 0.907 416 S CB 0.152 63.351 63.200 -0.001 0.000 0.790 416 S HN 0.340 nan 8.310 nan 0.000 0.510 417 G N 1.992 110.732 108.800 -0.100 0.000 2.408 417 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 417 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 417 G C 1.259 176.146 174.900 -0.021 0.000 1.150 417 G CA 0.891 45.944 45.100 -0.079 0.000 0.776 417 G HN 0.793 nan 8.290 nan 0.000 0.542 418 Y N -0.430 119.849 120.300 -0.035 0.000 2.616 418 Y HA 0.132 4.682 4.550 -0.001 0.000 0.296 418 Y C 1.834 177.867 175.900 0.222 0.000 1.154 418 Y CA -0.301 57.860 58.100 0.101 0.000 1.325 418 Y CB -0.384 38.230 38.460 0.257 0.000 1.007 418 Y HN 0.181 nan 8.280 nan 0.000 0.542 419 Y N 0.652 120.745 120.300 -0.346 0.000 2.574 419 Y HA -0.033 4.517 4.550 -0.001 0.000 0.294 419 Y C 1.712 177.564 175.900 -0.080 0.000 1.142 419 Y CA 0.664 58.588 58.100 -0.292 0.000 1.314 419 Y CB -0.749 37.577 38.460 -0.224 0.000 0.991 419 Y HN 0.304 nan 8.280 nan 0.000 0.555 420 T N -2.803 111.825 114.554 0.124 0.000 2.980 420 T HA 0.082 4.431 4.350 -0.001 0.000 0.252 420 T C 0.710 175.500 174.700 0.150 0.000 0.962 420 T CA -0.082 62.090 62.100 0.120 0.000 0.932 420 T CB 0.036 68.945 68.868 0.069 0.000 1.188 420 T HN -0.068 nan 8.240 nan 0.000 0.500 421 S N 2.404 118.190 115.700 0.144 0.000 2.558 421 S HA 0.199 4.668 4.470 -0.001 0.000 0.293 421 S C 0.424 175.161 174.600 0.227 0.000 1.292 421 S CA 0.011 58.306 58.200 0.159 0.000 1.063 421 S CB 0.096 63.375 63.200 0.131 0.000 0.831 421 S HN 0.404 nan 8.310 nan 0.000 0.499 422 R N 1.066 121.717 120.500 0.252 0.000 3.205 422 R HA -0.124 4.215 4.340 -0.001 0.000 0.249 422 R C -1.942 174.611 176.300 0.422 0.000 0.937 422 R CA 0.714 57.037 56.100 0.373 0.000 0.641 422 R CB -1.686 28.860 30.300 0.411 0.000 1.114 422 R HN 0.513 nan 8.270 nan 0.000 0.451 423 P HA -0.231 nan 4.420 nan 0.000 0.223 423 P C 1.103 178.620 177.300 0.362 0.000 1.151 423 P CA 1.013 64.335 63.100 0.370 0.000 0.787 423 P CB -0.018 31.941 31.700 0.432 0.000 0.788 424 Y N 1.528 121.926 120.300 0.164 0.000 2.165 424 Y HA -0.255 4.294 4.550 -0.001 0.000 0.286 424 Y C 2.272 178.184 175.900 0.020 0.000 1.155 424 Y CA 2.078 60.195 58.100 0.028 0.000 1.164 424 Y CB -0.942 37.393 38.460 -0.208 0.000 0.978 424 Y HN 0.066 nan 8.280 nan 0.000 0.513 425 H N -0.902 118.417 119.070 0.414 0.000 2.470 425 H HA 0.029 4.584 4.556 -0.001 0.000 0.289 425 H C 2.034 177.523 175.328 0.268 0.000 1.033 425 H CA 1.186 57.407 56.048 0.289 0.000 1.331 425 H CB -0.043 29.957 29.762 0.397 0.000 1.414 425 H HN 0.248 nan 8.280 nan 0.000 0.545 426 K N 0.385 121.014 120.400 0.382 0.000 2.057 426 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 426 K C 2.245 178.912 176.600 0.111 0.000 1.049 426 K CA 1.183 57.633 56.287 0.271 0.000 0.931 426 K CB 0.084 32.718 32.500 0.224 0.000 0.714 426 K HN 0.033 nan 8.250 nan 0.000 0.440 427 R N 1.382 121.920 120.500 0.063 0.000 2.075 427 R HA -0.006 4.333 4.340 -0.001 0.000 0.232 427 R C 2.056 178.135 176.300 -0.368 0.000 1.126 427 R CA 1.409 57.477 56.100 -0.054 0.000 0.963 427 R CB -0.410 29.948 30.300 0.096 0.000 0.858 427 R HN 0.152 nan 8.270 nan 0.000 0.435 428 M N 0.303 119.569 119.600 -0.556 0.000 2.149 428 M HA -0.206 4.273 4.480 -0.001 0.000 0.261 428 M C 1.480 177.478 176.300 -0.504 0.000 1.064 428 M CA 2.448 57.175 55.300 -0.956 0.000 1.102 428 M CB -0.347 31.898 32.600 -0.592 0.000 1.369 428 M HN 0.299 nan 8.290 nan 0.000 0.408 429 D N -0.287 119.998 120.400 -0.192 0.000 2.116 429 D HA -0.228 4.412 4.640 -0.001 0.000 0.193 429 D C 1.885 178.118 176.300 -0.112 0.000 0.998 429 D CA 1.514 55.496 54.000 -0.030 0.000 0.836 429 D CB 0.112 41.040 40.800 0.213 0.000 0.951 429 D HN 0.228 nan 8.370 nan 0.000 0.449 430 R N 0.015 120.425 120.500 -0.149 0.000 2.115 430 R HA -0.004 4.336 4.340 -0.001 0.000 0.226 430 R C 2.428 178.598 176.300 -0.216 0.000 1.100 430 R CA 0.405 56.408 56.100 -0.162 0.000 0.980 430 R CB -0.934 29.286 30.300 -0.133 0.000 0.875 430 R HN 0.263 nan 8.270 nan 0.000 0.445 431 V N 1.501 121.219 119.914 -0.326 0.000 2.270 431 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 431 V C 2.356 178.366 176.094 -0.140 0.000 1.043 431 V CA 1.504 63.617 62.300 -0.311 0.000 1.014 431 V CB -0.558 30.870 31.823 -0.659 0.000 0.645 431 V HN 0.137 nan 8.190 nan 0.000 0.447 432 L N -0.404 120.706 121.223 -0.187 0.000 2.131 432 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 432 L C 2.296 179.123 176.870 -0.072 0.000 1.092 432 L CA 1.992 56.788 54.840 -0.074 0.000 0.759 432 L CB -0.666 41.320 42.059 -0.121 0.000 0.903 432 L HN 0.333 nan 8.230 nan 0.000 0.435 433 M N -1.257 118.273 119.600 -0.116 0.000 2.073 433 M HA -0.336 4.143 4.480 -0.001 0.000 0.258 433 M C 2.382 178.588 176.300 -0.158 0.000 1.070 433 M CA 2.438 57.651 55.300 -0.145 0.000 1.103 433 M CB -0.419 32.062 32.600 -0.198 0.000 1.321 433 M HN 0.560 nan 8.290 nan 0.000 0.405 434 H N -0.731 118.185 119.070 -0.256 0.000 2.357 434 H HA -0.164 4.391 4.556 -0.001 0.000 0.301 434 H C 1.441 176.605 175.328 -0.274 0.000 1.082 434 H CA 2.398 58.261 56.048 -0.308 0.000 1.342 434 H CB -0.362 29.141 29.762 -0.432 0.000 1.389 434 H HN 0.493 nan 8.280 nan 0.000 0.511 435 Y N -0.621 119.544 120.300 -0.225 0.000 2.293 435 Y HA -0.121 4.429 4.550 -0.001 0.000 0.291 435 Y C 2.702 178.483 175.900 -0.200 0.000 1.137 435 Y CA 1.094 59.058 58.100 -0.227 0.000 1.202 435 Y CB -0.439 37.952 38.460 -0.116 0.000 0.990 435 Y HN 0.120 nan 8.280 nan 0.000 0.537 436 V N 0.101 119.986 119.914 -0.047 0.000 2.307 436 V HA -0.280 3.839 4.120 -0.001 0.000 0.245 436 V C 2.525 178.555 176.094 -0.106 0.000 1.045 436 V CA 2.083 64.340 62.300 -0.072 0.000 1.024 436 V CB -0.535 31.238 31.823 -0.083 0.000 0.651 436 V HN 0.305 nan 8.190 nan 0.000 0.449 437 R N 0.470 120.874 120.500 -0.160 0.000 2.083 437 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 437 R C 2.237 178.472 176.300 -0.107 0.000 1.137 437 R CA 1.889 57.905 56.100 -0.139 0.000 0.951 437 R CB -0.475 29.730 30.300 -0.159 0.000 0.851 437 R HN 0.458 nan 8.270 nan 0.000 0.434 438 A N 0.674 123.376 122.820 -0.197 0.000 1.930 438 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 438 A C 2.372 179.960 177.584 0.006 0.000 1.175 438 A CA 1.525 53.541 52.037 -0.034 0.000 0.627 438 A CB -0.713 18.226 19.000 -0.102 0.000 0.815 438 A HN 0.568 nan 8.150 nan 0.000 0.443 439 A N -0.095 122.719 122.820 -0.011 0.000 1.902 439 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 439 A C 1.938 179.493 177.584 -0.047 0.000 1.181 439 A CA 1.589 53.616 52.037 -0.017 0.000 0.623 439 A CB -0.510 18.476 19.000 -0.024 0.000 0.818 439 A HN 0.620 nan 8.150 nan 0.000 0.443 440 E N -1.032 119.132 120.200 -0.061 0.000 2.106 440 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 440 E C 2.050 178.597 176.600 -0.088 0.000 0.984 440 E CA 1.281 57.632 56.400 -0.081 0.000 0.806 440 E CB -0.241 29.408 29.700 -0.084 0.000 0.750 440 E HN 0.753 nan 8.360 nan 0.000 0.458 441 M N 0.691 120.263 119.600 -0.047 0.000 2.123 441 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 441 M C 2.120 178.425 176.300 0.008 0.000 1.069 441 M CA 1.280 56.552 55.300 -0.047 0.000 1.133 441 M CB 0.079 32.745 32.600 0.110 0.000 1.356 441 M HN 0.075 nan 8.290 nan 0.000 0.415 442 L N 0.032 121.318 121.223 0.104 0.000 2.083 442 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 442 L C 2.589 179.622 176.870 0.272 0.000 1.083 442 L CA 1.664 56.623 54.840 0.198 0.000 0.752 442 L CB -0.506 41.526 42.059 -0.044 0.000 0.899 442 L HN 0.503 nan 8.230 nan 0.000 0.433 443 S N -1.063 114.718 115.700 0.135 0.000 2.528 443 S HA 0.088 4.557 4.470 -0.001 0.000 0.219 443 S C 1.949 176.721 174.600 0.286 0.000 0.985 443 S CA 0.358 58.708 58.200 0.250 0.000 0.914 443 S CB 0.074 63.227 63.200 -0.078 0.000 0.776 443 S HN 0.285 nan 8.310 nan 0.000 0.526 444 A N 0.872 123.689 122.820 -0.006 0.000 2.066 444 A HA 0.117 4.437 4.320 -0.001 0.000 0.218 444 A C 1.675 179.156 177.584 -0.172 0.000 1.157 444 A CA 0.658 52.596 52.037 -0.164 0.000 0.670 444 A CB -1.143 17.609 19.000 -0.414 0.000 0.804 444 A HN 0.748 nan 8.150 nan 0.000 0.453 445 W N -0.579 120.732 121.300 0.017 0.000 2.392 445 W HA -0.023 4.636 4.660 -0.001 0.000 0.279 445 W C 0.897 177.213 176.519 -0.339 0.000 1.225 445 W CA 1.019 58.276 57.345 -0.146 0.000 1.233 445 W CB -0.156 29.172 29.460 -0.220 0.000 1.122 445 W HN 0.394 nan 8.180 nan 0.000 0.561 446 H N -2.347 116.780 119.070 0.096 0.000 2.771 446 H HA 0.364 4.919 4.556 -0.001 0.000 0.367 446 H C -0.406 174.823 175.328 -0.166 0.000 1.172 446 H CA -0.929 55.018 56.048 -0.168 0.000 1.186 446 H CB 1.754 31.170 29.762 -0.578 0.000 1.790 446 H HN -0.435 nan 8.280 nan 0.000 0.556 447 S N 0.894 116.552 115.700 -0.069 0.000 2.525 447 S HA 0.302 4.772 4.470 -0.001 0.000 0.278 447 S C -1.336 173.166 174.600 -0.164 0.000 1.234 447 S CA -0.638 57.547 58.200 -0.026 0.000 1.058 447 S CB 0.206 63.395 63.200 -0.018 0.000 0.983 447 S HN 0.404 nan 8.310 nan 0.000 0.495 448 W N 2.256 123.554 121.300 -0.003 0.000 2.666 448 W HA 0.366 5.025 4.660 -0.001 0.000 0.334 448 W C -0.063 176.412 176.519 -0.073 0.000 1.051 448 W CA -0.800 56.515 57.345 -0.050 0.000 1.224 448 W CB 0.714 30.107 29.460 -0.112 0.000 1.405 448 W HN 0.649 nan 8.180 nan 0.000 0.513 449 D N 0.621 121.101 120.400 0.134 0.000 2.423 449 D HA 0.177 4.817 4.640 -0.001 0.000 0.238 449 D C 1.622 177.928 176.300 0.010 0.000 1.142 449 D CA 0.942 54.986 54.000 0.073 0.000 0.884 449 D CB 1.283 42.156 40.800 0.121 0.000 1.199 449 D HN 0.541 nan 8.370 nan 0.000 0.438 450 G N 2.705 111.518 108.800 0.022 0.000 2.462 450 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.220 450 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.220 450 G C 1.287 176.167 174.900 -0.033 0.000 1.121 450 G CA 0.402 45.500 45.100 -0.003 0.000 0.758 450 G HN 0.476 nan 8.290 nan 0.000 0.559 451 M N 1.032 120.627 119.600 -0.008 0.000 2.460 451 M HA 0.115 4.595 4.480 -0.001 0.000 0.263 451 M C 2.725 178.969 176.300 -0.093 0.000 1.071 451 M CA 0.713 56.034 55.300 0.035 0.000 1.096 451 M CB -0.802 31.911 32.600 0.188 0.000 1.408 451 M HN 0.310 nan 8.290 nan 0.000 0.463 452 A N -0.044 122.488 122.820 -0.480 0.000 2.167 452 A HA -0.022 4.298 4.320 -0.001 0.000 0.214 452 A C 1.207 178.585 177.584 -0.343 0.000 1.151 452 A CA 0.296 51.820 52.037 -0.854 0.000 0.735 452 A CB -0.351 17.924 19.000 -1.209 0.000 0.802 452 A HN 0.584 nan 8.150 nan 0.000 0.467 453 R N -1.662 118.716 120.500 -0.203 0.000 3.641 453 R HA -0.178 4.161 4.340 -0.001 0.000 0.286 453 R C 0.637 176.828 176.300 -0.182 0.000 1.153 453 R CA 0.734 56.755 56.100 -0.132 0.000 0.775 453 R CB -2.105 28.151 30.300 -0.074 0.000 1.215 453 R HN 0.471 nan 8.270 nan 0.000 0.474 454 I N 0.457 120.868 120.570 -0.265 0.000 2.193 454 I HA -0.168 4.001 4.170 -0.001 0.000 0.240 454 I C 2.115 178.107 176.117 -0.209 0.000 1.084 454 I CA 1.616 62.710 61.300 -0.344 0.000 1.365 454 I CB -0.636 37.007 38.000 -0.595 0.000 1.064 454 I HN 0.200 nan 8.210 nan 0.000 0.410 455 E N 0.721 120.837 120.200 -0.140 0.000 2.110 455 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 455 E C 2.078 178.632 176.600 -0.076 0.000 0.988 455 E CA 1.129 57.476 56.400 -0.088 0.000 0.804 455 E CB -0.223 29.449 29.700 -0.046 0.000 0.745 455 E HN 0.465 nan 8.360 nan 0.000 0.458 456 E N 0.438 120.595 120.200 -0.071 0.000 2.051 456 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 456 E C 1.903 178.463 176.600 -0.066 0.000 0.991 456 E CA 1.069 57.436 56.400 -0.055 0.000 0.799 456 E CB 0.104 29.776 29.700 -0.047 0.000 0.748 456 E HN -0.029 nan 8.360 nan 0.000 0.449 457 R N 0.265 120.712 120.500 -0.087 0.000 2.092 457 R HA 0.013 4.352 4.340 -0.001 0.000 0.231 457 R C 2.369 178.615 176.300 -0.090 0.000 1.119 457 R CA 0.818 56.867 56.100 -0.085 0.000 0.970 457 R CB -0.442 29.799 30.300 -0.098 0.000 0.864 457 R HN 0.278 nan 8.270 nan 0.000 0.440 458 L N -0.101 121.059 121.223 -0.105 0.000 2.093 458 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 458 L C 2.357 179.169 176.870 -0.096 0.000 1.085 458 L CA 1.455 56.235 54.840 -0.101 0.000 0.755 458 L CB -0.399 41.595 42.059 -0.109 0.000 0.904 458 L HN 0.301 nan 8.230 nan 0.000 0.435 459 E N 0.138 120.285 120.200 -0.087 0.000 2.072 459 E HA -0.297 4.052 4.350 -0.001 0.000 0.191 459 E C 2.204 178.738 176.600 -0.110 0.000 0.985 459 E CA 1.216 57.557 56.400 -0.097 0.000 0.801 459 E CB -0.009 29.656 29.700 -0.059 0.000 0.750 459 E HN 0.419 nan 8.360 nan 0.000 0.452 460 Q N 0.100 119.852 119.800 -0.079 0.000 2.061 460 Q HA -0.234 4.106 4.340 -0.001 0.000 0.204 460 Q C 2.087 178.041 176.000 -0.077 0.000 0.984 460 Q CA 1.801 57.564 55.803 -0.067 0.000 0.846 460 Q CB -0.252 28.458 28.738 -0.046 0.000 0.902 460 Q HN 0.358 nan 8.270 nan 0.000 0.421 461 A N 0.998 123.771 122.820 -0.079 0.000 1.902 461 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 461 A C 2.090 179.617 177.584 -0.095 0.000 1.181 461 A CA 1.417 53.409 52.037 -0.075 0.000 0.623 461 A CB -0.488 18.470 19.000 -0.070 0.000 0.818 461 A HN 0.381 nan 8.150 nan 0.000 0.443 462 R N -0.805 119.618 120.500 -0.128 0.000 2.096 462 R HA -0.078 4.261 4.340 -0.001 0.000 0.235 462 R C 2.418 178.574 176.300 -0.240 0.000 1.127 462 R CA 1.546 57.546 56.100 -0.167 0.000 0.968 462 R CB -0.261 29.927 30.300 -0.187 0.000 0.861 462 R HN 0.479 nan 8.270 nan 0.000 0.440 463 R N 0.225 120.552 120.500 -0.289 0.000 2.115 463 R HA -0.054 4.285 4.340 -0.001 0.000 0.226 463 R C 2.039 178.280 176.300 -0.098 0.000 1.100 463 R CA 0.827 56.687 56.100 -0.399 0.000 0.980 463 R CB 0.065 30.155 30.300 -0.351 0.000 0.875 463 R HN 0.176 nan 8.270 nan 0.000 0.445 464 E N 0.768 120.946 120.200 -0.038 0.000 2.107 464 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 464 E C 1.945 178.585 176.600 0.067 0.000 0.982 464 E CA 0.750 57.174 56.400 0.039 0.000 0.809 464 E CB -0.184 29.528 29.700 0.020 0.000 0.756 464 E HN 0.146 nan 8.360 nan 0.000 0.459 465 L N 1.154 122.385 121.223 0.013 0.000 2.093 465 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 465 L C 2.137 179.059 176.870 0.085 0.000 1.085 465 L CA 1.555 56.422 54.840 0.044 0.000 0.755 465 L CB -0.578 41.472 42.059 -0.015 0.000 0.904 465 L HN -0.102 nan 8.230 nan 0.000 0.435 466 S N -0.398 115.317 115.700 0.024 0.000 2.368 466 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 466 S C 1.846 176.592 174.600 0.243 0.000 1.030 466 S CA 1.531 59.775 58.200 0.074 0.000 0.999 466 S CB -0.557 62.583 63.200 -0.100 0.000 0.844 466 S HN 0.459 nan 8.310 nan 0.000 0.459 467 L N 0.634 122.042 121.223 0.310 0.000 2.042 467 L HA -0.020 4.320 4.340 -0.001 0.000 0.210 467 L C 1.868 178.852 176.870 0.190 0.000 1.076 467 L CA 1.613 56.631 54.840 0.297 0.000 0.749 467 L CB -0.574 41.635 42.059 0.249 0.000 0.893 467 L HN 0.287 nan 8.230 nan 0.000 0.432 468 F N -0.321 119.611 119.950 -0.029 0.000 2.451 468 F HA -0.125 4.402 4.527 -0.001 0.000 0.299 468 F C 2.179 177.907 175.800 -0.121 0.000 1.101 468 F CA 0.808 58.679 58.000 -0.214 0.000 1.436 468 F CB -0.212 38.699 39.000 -0.149 0.000 1.074 468 F HN 0.244 nan 8.300 nan 0.000 0.553 469 Q N -0.407 119.363 119.800 -0.050 0.000 2.437 469 Q HA -0.150 4.189 4.340 -0.001 0.000 0.210 469 Q C 0.560 176.506 176.000 -0.090 0.000 0.972 469 Q CA 0.503 56.255 55.803 -0.085 0.000 0.903 469 Q CB -1.320 27.436 28.738 0.030 0.000 0.967 469 Q HN 0.505 nan 8.270 nan 0.000 0.486 470 H N 1.929 120.892 119.070 -0.178 0.000 3.016 470 H HA -0.108 4.448 4.556 -0.001 0.000 0.345 470 H C 1.316 176.495 175.328 -0.247 0.000 1.066 470 H CA 0.695 56.636 56.048 -0.178 0.000 1.390 470 H CB 0.558 30.230 29.762 -0.149 0.000 1.344 470 H HN 0.238 nan 8.280 nan 0.000 0.605 471 H N 1.998 120.649 119.070 -0.699 0.000 2.563 471 H HA -0.005 4.550 4.556 -0.001 0.000 0.272 471 H C -0.329 174.588 175.328 -0.685 0.000 1.005 471 H CA 0.701 56.317 56.048 -0.720 0.000 1.171 471 H CB 0.292 29.630 29.762 -0.706 0.000 1.351 471 H HN 0.606 nan 8.280 nan 0.000 0.602 472 D N 0.355 120.080 120.400 -1.125 0.000 2.503 472 D HA 0.128 4.767 4.640 -0.001 0.000 0.218 472 D C 1.607 177.891 176.300 -0.027 0.000 1.183 472 D CA 0.291 54.157 54.000 -0.223 0.000 0.827 472 D CB 0.851 41.746 40.800 0.159 0.000 1.034 472 D HN 0.522 nan 8.370 nan 0.000 0.510 473 G N 1.283 109.849 108.800 -0.390 0.000 2.618 473 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.222 473 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.222 473 G C 1.348 175.643 174.900 -1.008 0.000 1.520 473 G CA -0.208 44.383 45.100 -0.848 0.000 0.930 473 G HN 0.199 nan 8.290 nan 0.000 0.547 474 I N 1.963 121.659 120.570 -1.455 0.000 2.423 474 I HA -0.186 3.983 4.170 -0.001 0.000 0.254 474 I C 2.904 178.925 176.117 -0.160 0.000 1.151 474 I CA 2.087 62.864 61.300 -0.871 0.000 1.421 474 I CB -0.061 37.608 38.000 -0.551 0.000 1.079 474 I HN 0.385 nan 8.210 nan 0.000 0.431 475 T N -1.599 112.911 114.554 -0.073 0.000 2.977 475 T HA -0.002 4.347 4.350 -0.001 0.000 0.271 475 T C 1.564 176.416 174.700 0.254 0.000 1.105 475 T CA 0.681 62.934 62.100 0.253 0.000 1.116 475 T CB -0.601 68.425 68.868 0.263 0.000 0.878 475 T HN 0.653 nan 8.240 nan 0.000 0.509 476 G N 1.386 110.289 108.800 0.171 0.000 2.176 476 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.252 476 G C 0.552 175.534 174.900 0.137 0.000 1.024 476 G CA 0.667 45.889 45.100 0.203 0.000 0.755 476 G HN 1.172 nan 8.290 nan 0.000 0.507 477 T N -3.403 111.235 114.554 0.140 0.000 3.215 477 T HA 0.740 5.090 4.350 -0.001 0.000 0.271 477 T C 0.844 175.761 174.700 0.361 0.000 1.012 477 T CA 1.026 63.156 62.100 0.050 0.000 0.899 477 T CB 0.983 69.769 68.868 -0.136 0.000 1.089 477 T HN 1.568 nan 8.240 nan 0.000 0.552 478 A N 1.267 124.308 122.820 0.369 0.000 2.269 478 A HA 0.694 5.013 4.320 -0.001 0.000 0.327 478 A C 0.195 177.893 177.584 0.190 0.000 1.112 478 A CA -0.957 51.332 52.037 0.420 0.000 0.865 478 A CB 0.888 20.172 19.000 0.473 0.000 1.227 478 A HN 0.389 nan 8.150 nan 0.000 0.498 479 K N -0.201 120.244 120.400 0.074 0.000 2.336 479 K HA 0.124 4.443 4.320 -0.001 0.000 0.262 479 K C 1.051 177.676 176.600 0.042 0.000 0.992 479 K CA 0.402 56.711 56.287 0.036 0.000 0.927 479 K CB 0.326 32.845 32.500 0.031 0.000 0.956 479 K HN 0.735 nan 8.250 nan 0.000 0.495 480 T N 1.250 115.853 114.554 0.081 0.000 2.699 480 T HA -0.190 4.159 4.350 -0.001 0.000 0.268 480 T C 1.662 176.406 174.700 0.073 0.000 1.036 480 T CA 1.760 63.909 62.100 0.082 0.000 1.147 480 T CB -0.391 68.531 68.868 0.090 0.000 0.862 480 T HN 0.678 nan 8.240 nan 0.000 0.446 481 H N 0.585 119.657 119.070 0.004 0.000 2.491 481 H HA 0.099 4.655 4.556 -0.001 0.000 0.290 481 H C 2.000 177.311 175.328 -0.029 0.000 1.050 481 H CA 0.808 56.851 56.048 -0.009 0.000 1.309 481 H CB -0.784 28.967 29.762 -0.018 0.000 1.392 481 H HN 0.269 nan 8.280 nan 0.000 0.554 482 V N 1.113 120.690 119.914 -0.562 0.000 2.407 482 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 482 V C 3.028 178.950 176.094 -0.286 0.000 1.041 482 V CA 1.077 63.077 62.300 -0.501 0.000 1.040 482 V CB -0.426 31.163 31.823 -0.391 0.000 0.671 482 V HN 0.235 nan 8.190 nan 0.000 0.455 483 V N 0.051 119.933 119.914 -0.054 0.000 2.332 483 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 483 V C 2.460 178.553 176.094 -0.002 0.000 1.055 483 V CA 2.007 64.336 62.300 0.047 0.000 1.038 483 V CB -0.545 31.264 31.823 -0.023 0.000 0.651 483 V HN 0.417 nan 8.190 nan 0.000 0.450 484 V N 0.377 120.293 119.914 0.002 0.000 2.407 484 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 484 V C 2.297 178.415 176.094 0.040 0.000 1.055 484 V CA 2.409 64.739 62.300 0.051 0.000 1.049 484 V CB -0.686 31.174 31.823 0.061 0.000 0.662 484 V HN 0.651 nan 8.190 nan 0.000 0.455 485 D N -0.981 119.395 120.400 -0.040 0.000 2.097 485 D HA -0.204 4.435 4.640 -0.001 0.000 0.195 485 D C 1.999 178.314 176.300 0.025 0.000 0.989 485 D CA 1.497 55.469 54.000 -0.046 0.000 0.827 485 D CB -0.168 40.542 40.800 -0.150 0.000 0.966 485 D HN 0.487 nan 8.370 nan 0.000 0.456 486 Y N 0.993 121.341 120.300 0.080 0.000 2.181 486 Y HA -0.068 4.481 4.550 -0.001 0.000 0.288 486 Y C 2.436 178.325 175.900 -0.018 0.000 1.146 486 Y CA 1.286 59.432 58.100 0.077 0.000 1.164 486 Y CB -0.751 37.829 38.460 0.200 0.000 0.982 486 Y HN 0.154 nan 8.280 nan 0.000 0.515 487 E N 0.078 120.392 120.200 0.191 0.000 2.077 487 E HA -0.254 4.096 4.350 -0.001 0.000 0.193 487 E C 2.025 178.714 176.600 0.148 0.000 0.989 487 E CA 1.362 57.891 56.400 0.215 0.000 0.800 487 E CB -0.050 29.857 29.700 0.346 0.000 0.746 487 E HN 0.571 nan 8.360 nan 0.000 0.452 488 Q N -0.031 119.841 119.800 0.120 0.000 2.096 488 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 488 Q C 2.349 178.392 176.000 0.072 0.000 0.982 488 Q CA 1.522 57.377 55.803 0.087 0.000 0.850 488 Q CB -0.099 28.680 28.738 0.068 0.000 0.901 488 Q HN 0.200 nan 8.270 nan 0.000 0.422 489 R N 0.018 120.565 120.500 0.079 0.000 2.081 489 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 489 R C 2.288 178.612 176.300 0.039 0.000 1.131 489 R CA 1.444 57.584 56.100 0.066 0.000 0.960 489 R CB -0.160 30.203 30.300 0.106 0.000 0.856 489 R HN 0.297 nan 8.270 nan 0.000 0.436 490 M N -0.026 119.589 119.600 0.024 0.000 2.229 490 M HA -0.166 4.313 4.480 -0.001 0.000 0.264 490 M C 2.295 178.597 176.300 0.004 0.000 1.063 490 M CA 1.340 56.625 55.300 -0.025 0.000 1.114 490 M CB -0.130 32.399 32.600 -0.119 0.000 1.387 490 M HN 0.042 nan 8.290 nan 0.000 0.420 491 Q N 0.967 120.798 119.800 0.051 0.000 2.084 491 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 491 Q C 1.744 177.758 176.000 0.023 0.000 0.978 491 Q CA 1.624 57.466 55.803 0.064 0.000 0.844 491 Q CB -0.075 28.717 28.738 0.090 0.000 0.898 491 Q HN 0.322 nan 8.270 nan 0.000 0.426 492 E N -0.121 120.090 120.200 0.018 0.000 2.110 492 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 492 E C 1.831 178.421 176.600 -0.017 0.000 0.988 492 E CA 1.161 57.561 56.400 0.001 0.000 0.804 492 E CB -0.480 29.224 29.700 0.007 0.000 0.745 492 E HN 0.465 nan 8.360 nan 0.000 0.458 493 A N 1.137 123.945 122.820 -0.019 0.000 1.902 493 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 493 A C 2.403 179.956 177.584 -0.052 0.000 1.181 493 A CA 1.090 53.105 52.037 -0.037 0.000 0.623 493 A CB -0.722 18.256 19.000 -0.036 0.000 0.818 493 A HN 0.190 nan 8.150 nan 0.000 0.443 494 L N -0.711 120.478 121.223 -0.057 0.000 2.046 494 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 494 L C 2.600 179.399 176.870 -0.119 0.000 1.077 494 L CA 1.764 56.541 54.840 -0.105 0.000 0.747 494 L CB -0.410 41.594 42.059 -0.091 0.000 0.896 494 L HN 0.366 nan 8.230 nan 0.000 0.432 495 K N -0.114 120.242 120.400 -0.073 0.000 2.057 495 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 495 K C 2.249 178.810 176.600 -0.065 0.000 1.049 495 K CA 1.284 57.530 56.287 -0.068 0.000 0.931 495 K CB -0.263 32.212 32.500 -0.042 0.000 0.714 495 K HN 0.286 nan 8.250 nan 0.000 0.440 496 A N 1.174 123.958 122.820 -0.058 0.000 1.883 496 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 496 A C 2.437 179.981 177.584 -0.066 0.000 1.186 496 A CA 1.590 53.591 52.037 -0.060 0.000 0.624 496 A CB -1.044 17.921 19.000 -0.058 0.000 0.822 496 A HN 0.417 nan 8.150 nan 0.000 0.444 497 C N -1.054 118.205 119.300 -0.068 0.000 2.429 497 C HA -0.123 4.336 4.460 -0.001 0.000 0.277 497 C C 2.873 177.838 174.990 -0.042 0.000 1.262 497 C CA 1.274 60.261 59.018 -0.052 0.000 1.733 497 C CB -1.287 26.435 27.740 -0.031 0.000 2.010 497 C HN 0.795 nan 8.230 nan 0.000 0.483 498 Q N 0.215 119.962 119.800 -0.089 0.000 2.061 498 Q HA -0.277 4.062 4.340 -0.001 0.000 0.204 498 Q C 2.180 178.198 176.000 0.031 0.000 0.984 498 Q CA 2.030 57.802 55.803 -0.051 0.000 0.846 498 Q CB -0.277 28.397 28.738 -0.106 0.000 0.902 498 Q HN 0.574 nan 8.270 nan 0.000 0.421 499 M N -0.086 119.510 119.600 -0.007 0.000 2.080 499 M HA -0.142 4.338 4.480 -0.001 0.000 0.260 499 M C 1.869 178.173 176.300 0.007 0.000 1.068 499 M CA 1.590 56.895 55.300 0.009 0.000 1.109 499 M CB -0.526 32.061 32.600 -0.022 0.000 1.342 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.170 120.052 119.914 -0.053 0.000 2.343 500 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 500 V C 2.439 178.500 176.094 -0.055 0.000 1.051 500 V CA 2.178 64.398 62.300 -0.133 0.000 1.036 500 V CB -0.689 31.033 31.823 -0.168 0.000 0.654 500 V HN 0.556 nan 8.190 nan 0.000 0.451 501 M N 0.246 119.876 119.600 0.049 0.000 2.086 501 M HA -0.263 4.217 4.480 -0.001 0.000 0.261 501 M C 2.381 178.759 176.300 0.130 0.000 1.067 501 M CA 2.424 57.809 55.300 0.141 0.000 1.116 501 M CB -0.476 32.333 32.600 0.348 0.000 1.348 501 M HN 0.544 nan 8.290 nan 0.000 0.407 502 Q N -0.231 119.718 119.800 0.249 0.000 2.172 502 Q HA -0.125 4.214 4.340 -0.001 0.000 0.200 502 Q C 1.792 177.978 176.000 0.310 0.000 0.964 502 Q CA 1.147 57.115 55.803 0.276 0.000 0.855 502 Q CB -0.598 28.399 28.738 0.433 0.000 0.918 502 Q HN 0.420 nan 8.270 nan 0.000 0.444 503 Q N 0.502 120.469 119.800 0.278 0.000 2.124 503 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 503 Q C 2.208 178.460 176.000 0.421 0.000 0.977 503 Q CA 1.656 57.699 55.803 0.400 0.000 0.850 503 Q CB -0.140 28.746 28.738 0.248 0.000 0.901 503 Q HN 0.508 nan 8.270 nan 0.000 0.429 504 S N 0.297 116.135 115.700 0.228 0.000 2.371 504 S HA -0.071 4.398 4.470 -0.001 0.000 0.224 504 S C 2.205 176.851 174.600 0.076 0.000 1.029 504 S CA 0.847 59.230 58.200 0.305 0.000 0.978 504 S CB -0.132 63.180 63.200 0.187 0.000 0.833 504 S HN 0.120 nan 8.310 nan 0.000 0.466 505 V N 0.924 120.757 119.914 -0.137 0.000 2.343 505 V HA -0.191 3.928 4.120 -0.001 0.000 0.247 505 V C 2.014 178.080 176.094 -0.047 0.000 1.051 505 V CA 1.836 63.926 62.300 -0.351 0.000 1.036 505 V CB -0.764 30.437 31.823 -1.036 0.000 0.654 505 V HN 0.550 nan 8.190 nan 0.000 0.451 506 Y N 1.301 121.646 120.300 0.074 0.000 2.165 506 Y HA -0.260 4.289 4.550 -0.001 0.000 0.286 506 Y C 2.731 178.698 175.900 0.112 0.000 1.155 506 Y CA 2.219 60.447 58.100 0.215 0.000 1.164 506 Y CB -0.377 38.130 38.460 0.078 0.000 0.978 506 Y HN 0.096 nan 8.280 nan 0.000 0.513 507 R N -0.174 120.220 120.500 -0.177 0.000 2.075 507 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 507 R C 2.184 178.169 176.300 -0.525 0.000 1.126 507 R CA 1.610 57.250 56.100 -0.768 0.000 0.963 507 R CB -0.380 29.458 30.300 -0.770 0.000 0.858 507 R HN 0.447 nan 8.270 nan 0.000 0.435 508 L N 0.239 121.300 121.223 -0.271 0.000 2.291 508 L HA -0.058 4.282 4.340 -0.001 0.000 0.214 508 L C 1.396 178.156 176.870 -0.183 0.000 1.120 508 L CA 0.737 55.388 54.840 -0.316 0.000 0.799 508 L CB 0.137 41.848 42.059 -0.580 0.000 0.925 508 L HN 0.241 nan 8.230 nan 0.000 0.446 509 L N -1.362 119.852 121.223 -0.015 0.000 3.014 509 L HA 0.221 4.560 4.340 -0.001 0.000 0.263 509 L C -0.163 176.807 176.870 0.166 0.000 1.207 509 L CA -0.094 54.836 54.840 0.149 0.000 1.017 509 L CB 0.550 42.848 42.059 0.397 0.000 1.360 509 L HN -0.002 nan 8.230 nan 0.000 0.560 510 T N 0.088 114.657 114.554 0.025 0.000 2.829 510 T HA 0.194 4.543 4.350 -0.001 0.000 0.280 510 T C -0.141 174.505 174.700 -0.090 0.000 0.999 510 T CA -0.561 61.543 62.100 0.007 0.000 0.983 510 T CB 2.464 71.317 68.868 -0.024 0.000 0.968 510 T HN 0.007 nan 8.240 nan 0.000 0.446 511 K N 3.452 123.811 120.400 -0.069 0.000 2.511 511 K HA -0.003 4.316 4.320 -0.001 0.000 0.280 511 K C -1.730 174.845 176.600 -0.042 0.000 1.008 511 K CA -1.099 55.151 56.287 -0.060 0.000 1.050 511 K CB 0.440 32.909 32.500 -0.051 0.000 0.889 511 K HN 0.173 nan 8.250 nan 0.000 0.484 512 P HA -0.178 nan 4.420 nan 0.000 0.216 512 P C 0.791 178.107 177.300 0.026 0.000 1.150 512 P CA 1.378 64.456 63.100 -0.036 0.000 0.837 512 P CB 0.165 31.834 31.700 -0.051 0.000 0.786 513 S N -2.154 113.552 115.700 0.010 0.000 2.561 513 S HA 0.047 4.517 4.470 -0.001 0.000 0.225 513 S C 1.663 176.277 174.600 0.024 0.000 0.977 513 S CA 0.535 58.744 58.200 0.016 0.000 0.926 513 S CB -1.094 62.107 63.200 0.002 0.000 0.769 513 S HN 0.105 nan 8.310 nan 0.000 0.533 514 I N -0.765 119.827 120.570 0.037 0.000 3.790 514 I HA 0.213 4.382 4.170 -0.001 0.000 0.305 514 I C 0.525 176.694 176.117 0.086 0.000 1.253 514 I CA -0.418 60.912 61.300 0.050 0.000 1.355 514 I CB -0.019 38.007 38.000 0.043 0.000 1.137 514 I HN 0.248 nan 8.210 nan 0.000 0.435 515 Y N 2.747 122.997 120.300 -0.084 0.000 2.865 515 Y HA -0.076 4.474 4.550 -0.001 0.000 0.338 515 Y C 0.460 176.331 175.900 -0.048 0.000 1.269 515 Y CA 0.054 58.054 58.100 -0.167 0.000 1.585 515 Y CB 0.360 38.656 38.460 -0.275 0.000 1.224 515 Y HN -0.121 nan 8.280 nan 0.000 0.554 516 S N 8.799 124.312 115.700 -0.312 0.000 2.216 516 S HA 0.368 4.837 4.470 -0.001 0.000 0.156 516 S C -2.864 171.559 174.600 -0.295 0.000 1.665 516 S CA -1.246 56.778 58.200 -0.293 0.000 1.262 516 S CB -0.059 63.089 63.200 -0.088 0.000 1.207 516 S HN 0.613 nan 8.310 nan 0.000 0.427 517 P HA 0.299 nan 4.420 nan 0.000 0.276 517 P C -1.069 175.985 177.300 -0.410 0.000 1.230 517 P CA -0.188 62.669 63.100 -0.405 0.000 0.776 517 P CB 0.758 32.074 31.700 -0.640 0.000 0.888 518 D N 2.493 122.838 120.400 -0.091 0.000 2.392 518 D HA 0.142 4.782 4.640 -0.001 0.000 0.228 518 D C 0.329 176.666 176.300 0.061 0.000 1.074 518 D CA -0.675 53.249 54.000 -0.126 0.000 0.838 518 D CB 0.282 41.043 40.800 -0.065 0.000 1.067 518 D HN 0.052 nan 8.370 nan 0.000 0.511 519 F N 1.626 121.694 119.950 0.197 0.000 2.641 519 F HA -0.062 4.465 4.527 -0.001 0.000 0.298 519 F C 2.369 178.248 175.800 0.132 0.000 1.146 519 F CA 0.511 58.626 58.000 0.192 0.000 1.464 519 F CB -0.441 38.652 39.000 0.156 0.000 1.101 519 F HN 0.351 nan 8.300 nan 0.000 0.585 520 S N -1.964 113.884 115.700 0.247 0.000 2.540 520 S HA 0.132 4.602 4.470 -0.001 0.000 0.218 520 S C 0.300 174.946 174.600 0.076 0.000 0.977 520 S CA -0.420 57.862 58.200 0.138 0.000 0.918 520 S CB -0.630 62.628 63.200 0.097 0.000 0.806 520 S HN 0.094 nan 8.310 nan 0.000 0.496 521 F N 2.898 122.792 119.950 -0.093 0.000 2.375 521 F HA 0.582 5.109 4.527 -0.001 0.000 0.333 521 F C 0.064 175.650 175.800 -0.357 0.000 1.104 521 F CA -0.649 57.164 58.000 -0.311 0.000 1.149 521 F CB 1.490 40.146 39.000 -0.573 0.000 1.190 521 F HN -0.056 nan 8.300 nan 0.000 0.533 522 S N 5.759 120.697 115.700 -1.269 0.000 2.464 522 S HA 0.153 4.622 4.470 -0.001 0.000 0.313 522 S C 0.341 174.325 174.600 -1.027 0.000 1.078 522 S CA -0.341 57.355 58.200 -0.840 0.000 1.096 522 S CB -0.202 62.614 63.200 -0.639 0.000 1.032 522 S HN 0.644 nan 8.310 nan 0.000 0.498 523 Y N 1.714 121.795 120.300 -0.365 0.000 2.314 523 Y HA 0.175 4.725 4.550 -0.001 0.000 0.293 523 Y C 0.352 175.706 175.900 -0.910 0.000 1.129 523 Y CA 0.712 58.485 58.100 -0.545 0.000 1.201 523 Y CB 0.125 38.339 38.460 -0.411 0.000 0.999 523 Y HN 0.495 nan 8.280 nan 0.000 0.541 524 F N -1.466 118.443 119.950 -0.068 0.000 2.599 524 F HA 0.466 4.992 4.527 -0.001 0.000 0.311 524 F C -0.129 175.698 175.800 0.046 0.000 1.076 524 F CA -1.535 56.482 58.000 0.029 0.000 0.937 524 F CB 1.617 40.779 39.000 0.269 0.000 1.282 524 F HN -0.399 nan 8.300 nan 0.000 0.460 525 T N 0.042 114.751 114.554 0.258 0.000 2.856 525 T HA 0.722 5.072 4.350 -0.001 0.000 0.283 525 T C -0.659 174.137 174.700 0.160 0.000 1.008 525 T CA -0.820 61.365 62.100 0.141 0.000 0.997 525 T CB 1.312 70.202 68.868 0.036 0.000 0.992 525 T HN 0.527 nan 8.240 nan 0.000 0.454 526 L N 1.885 123.117 121.223 0.014 0.000 2.417 526 L HA 0.448 4.787 4.340 -0.001 0.000 0.268 526 L C 0.028 176.863 176.870 -0.058 0.000 1.158 526 L CA -0.320 54.435 54.840 -0.141 0.000 0.819 526 L CB 0.806 42.712 42.059 -0.255 0.000 1.112 526 L HN 0.817 nan 8.230 nan 0.000 0.458 527 D N 1.438 121.804 120.400 -0.056 0.000 2.492 527 D HA 0.219 4.858 4.640 -0.001 0.000 0.248 527 D C -1.296 174.942 176.300 -0.103 0.000 1.101 527 D CA -0.388 53.581 54.000 -0.052 0.000 0.840 527 D CB 1.182 41.991 40.800 0.016 0.000 1.209 527 D HN 0.278 nan 8.370 nan 0.000 0.524 528 D N 2.378 122.729 120.400 -0.082 0.000 2.549 528 D HA 0.196 4.835 4.640 -0.001 0.000 0.251 528 D C 0.032 176.281 176.300 -0.084 0.000 1.153 528 D CA -0.468 53.515 54.000 -0.028 0.000 0.861 528 D CB 1.873 42.743 40.800 0.118 0.000 1.207 528 D HN 0.257 nan 8.370 nan 0.000 0.543 529 S N 2.700 118.324 115.700 -0.128 0.000 2.522 529 S HA 0.040 4.509 4.470 -0.001 0.000 0.227 529 S C 1.343 175.904 174.600 -0.065 0.000 0.986 529 S CA 0.428 58.542 58.200 -0.143 0.000 0.929 529 S CB 0.397 63.501 63.200 -0.161 0.000 0.769 529 S HN 0.491 nan 8.310 nan 0.000 0.529 530 R N -0.457 120.039 120.500 -0.006 0.000 2.535 530 R HA 0.227 4.566 4.340 -0.001 0.000 0.323 530 R C -0.657 175.731 176.300 0.146 0.000 0.979 530 R CA -0.112 56.010 56.100 0.036 0.000 1.120 530 R CB 0.761 31.072 30.300 0.018 0.000 1.306 530 R HN 0.347 nan 8.270 nan 0.000 0.540 531 W N 1.373 122.638 121.300 -0.059 0.000 3.211 531 W HA 0.300 4.960 4.660 -0.001 0.000 0.335 531 W C -2.907 173.586 176.519 -0.043 0.000 1.113 531 W CA -1.997 55.313 57.345 -0.058 0.000 1.235 531 W CB 1.870 31.306 29.460 -0.039 0.000 1.365 531 W HN -0.194 nan 8.180 nan 0.000 0.476 532 P HA 0.097 nan 4.420 nan 0.000 0.226 532 P C 0.312 177.276 177.300 -0.560 0.000 1.153 532 P CA 1.682 63.955 63.100 -1.378 0.000 0.777 532 P CB 0.290 31.409 31.700 -0.969 0.000 0.794 533 G N -1.070 107.563 108.800 -0.278 0.000 2.617 533 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.686 533 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.686 533 G C -0.423 174.423 174.900 -0.090 0.000 1.214 533 G CA -0.578 44.443 45.100 -0.131 0.000 0.796 533 G HN 0.054 nan 8.290 nan 0.000 0.654 534 S N 0.258 115.943 115.700 -0.024 0.000 2.544 534 S HA 0.498 4.967 4.470 -0.001 0.000 0.290 534 S C 1.833 176.435 174.600 0.002 0.000 1.276 534 S CA 2.142 60.358 58.200 0.028 0.000 1.075 534 S CB 0.110 63.362 63.200 0.087 0.000 0.849 534 S HN 2.668 nan 8.310 nan 0.000 0.494 535 G N 2.845 111.645 108.800 0.001 0.000 2.195 535 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.246 535 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.246 535 G C 0.601 175.476 174.900 -0.040 0.000 0.984 535 G CA 0.314 45.404 45.100 -0.017 0.000 0.633 535 G HN 0.802 nan 8.290 nan 0.000 0.525 536 V N -0.480 119.392 119.914 -0.068 0.000 2.743 536 V HA 0.377 4.496 4.120 -0.001 0.000 0.237 536 V C 0.830 176.863 176.094 -0.102 0.000 1.113 536 V CA 1.560 63.803 62.300 -0.096 0.000 1.141 536 V CB 0.459 32.191 31.823 -0.152 0.000 0.873 536 V HN 0.354 nan 8.190 nan 0.000 0.486 537 E N 0.299 120.429 120.200 -0.116 0.000 2.356 537 E HA 0.270 4.620 4.350 -0.001 0.000 0.275 537 E C -1.511 175.057 176.600 -0.054 0.000 0.904 537 E CA -0.489 55.857 56.400 -0.091 0.000 0.757 537 E CB 2.186 31.809 29.700 -0.128 0.000 1.232 537 E HN 0.151 nan 8.360 nan 0.000 0.442 538 D N 1.636 122.023 120.400 -0.021 0.000 2.453 538 D HA 0.078 4.717 4.640 -0.001 0.000 0.223 538 D C 0.403 176.702 176.300 -0.002 0.000 1.183 538 D CA 0.125 54.130 54.000 0.010 0.000 0.933 538 D CB 0.408 41.225 40.800 0.027 0.000 1.038 538 D HN 0.373 nan 8.370 nan 0.000 0.513 539 S N 2.902 118.592 115.700 -0.016 0.000 2.549 539 S HA 0.185 4.654 4.470 -0.001 0.000 0.225 539 S C 0.929 175.517 174.600 -0.020 0.000 1.039 539 S CA -0.460 57.722 58.200 -0.029 0.000 0.942 539 S CB 0.574 63.736 63.200 -0.063 0.000 0.881 539 S HN 0.257 nan 8.310 nan 0.000 0.503 540 R N 2.939 123.427 120.500 -0.020 0.000 2.438 540 R HA 0.384 4.723 4.340 -0.001 0.000 0.287 540 R C 0.064 176.391 176.300 0.043 0.000 1.077 540 R CA 0.292 56.364 56.100 -0.048 0.000 1.034 540 R CB 0.749 30.913 30.300 -0.226 0.000 0.993 540 R HN 0.499 nan 8.270 nan 0.000 0.459 541 T N -0.623 113.959 114.554 0.047 0.000 2.889 541 T HA 0.211 4.560 4.350 -0.001 0.000 0.291 541 T C 0.254 175.056 174.700 0.169 0.000 0.995 541 T CA -0.698 61.459 62.100 0.095 0.000 1.092 541 T CB 1.504 70.415 68.868 0.071 0.000 0.954 541 T HN 0.330 nan 8.240 nan 0.000 0.506 542 T N 3.714 118.379 114.554 0.185 0.000 2.806 542 T HA 0.400 4.749 4.350 -0.001 0.000 0.290 542 T C 0.456 175.262 174.700 0.177 0.000 0.966 542 T CA -0.519 61.717 62.100 0.226 0.000 1.060 542 T CB 0.234 69.198 68.868 0.160 0.000 0.927 542 T HN 0.580 nan 8.240 nan 0.000 0.485 543 I N 4.055 124.749 120.570 0.207 0.000 2.436 543 I HA 0.193 4.362 4.170 -0.001 0.000 0.289 543 I C 0.214 176.417 176.117 0.144 0.000 1.083 543 I CA -0.037 61.364 61.300 0.167 0.000 1.372 543 I CB 0.288 38.392 38.000 0.174 0.000 1.408 543 I HN 0.445 nan 8.210 nan 0.000 0.516 544 I N 8.116 128.756 120.570 0.116 0.000 2.297 544 I HA 0.313 4.482 4.170 -0.001 0.000 0.291 544 I C -0.182 175.996 176.117 0.101 0.000 1.033 544 I CA -0.199 61.161 61.300 0.100 0.000 1.253 544 I CB 0.466 38.512 38.000 0.077 0.000 1.396 544 I HN 0.385 nan 8.210 nan 0.000 0.476 545 L N 5.757 127.045 121.223 0.107 0.000 2.341 545 L HA 0.944 5.284 4.340 -0.001 0.000 0.267 545 L C 0.126 177.054 176.870 0.096 0.000 1.009 545 L CA -0.668 54.234 54.840 0.105 0.000 0.819 545 L CB 2.238 44.366 42.059 0.115 0.000 1.323 545 L HN 0.690 nan 8.230 nan 0.000 0.425 546 G N -0.014 108.839 108.800 0.088 0.000 2.556 546 G HA2 0.131 4.090 3.960 -0.001 0.000 0.294 546 G HA3 0.131 4.090 3.960 -0.001 0.000 0.294 546 G C -0.235 174.708 174.900 0.071 0.000 1.516 546 G CA -0.433 44.715 45.100 0.081 0.000 0.824 546 G HN 0.696 nan 8.290 nan 0.000 0.535 547 E N -0.176 120.064 120.200 0.066 0.000 2.204 547 E HA -0.118 4.232 4.350 -0.001 0.000 0.195 547 E C 0.551 177.179 176.600 0.047 0.000 0.990 547 E CA 1.301 57.733 56.400 0.055 0.000 0.821 547 E CB 0.166 29.895 29.700 0.048 0.000 0.750 547 E HN 0.422 nan 8.360 nan 0.000 0.477 548 D N -0.345 120.083 120.400 0.046 0.000 2.388 548 D HA 0.100 4.740 4.640 -0.001 0.000 0.221 548 D C 0.874 177.199 176.300 0.042 0.000 1.133 548 D CA 0.089 54.112 54.000 0.040 0.000 0.831 548 D CB 0.956 41.777 40.800 0.035 0.000 0.962 548 D HN 0.269 nan 8.370 nan 0.000 0.502 549 I N -0.852 119.748 120.570 0.050 0.000 4.147 549 I HA 0.177 4.346 4.170 -0.001 0.000 0.278 549 I C -1.475 174.678 176.117 0.060 0.000 1.133 549 I CA 0.113 61.444 61.300 0.051 0.000 1.317 549 I CB 1.263 39.294 38.000 0.052 0.000 1.688 549 I HN -0.145 nan 8.210 nan 0.000 0.432 550 L N 1.732 122.997 121.223 0.070 0.000 2.795 550 L HA 0.504 4.843 4.340 -0.001 0.000 0.260 550 L C -2.542 174.381 176.870 0.088 0.000 0.935 550 L CA -0.797 54.093 54.840 0.083 0.000 0.985 550 L CB 1.714 43.829 42.059 0.093 0.000 1.433 550 L HN -0.118 nan 8.230 nan 0.000 0.447 551 P HA 0.104 nan 4.420 nan 0.000 0.227 551 P C -0.212 177.145 177.300 0.096 0.000 1.161 551 P CA 0.755 63.905 63.100 0.084 0.000 0.788 551 P CB 0.440 32.183 31.700 0.071 0.000 0.822 552 S N -2.023 113.746 115.700 0.116 0.000 2.625 552 S HA 0.731 5.200 4.470 -0.001 0.000 0.271 552 S C -1.319 173.391 174.600 0.183 0.000 1.161 552 S CA -0.707 57.571 58.200 0.130 0.000 0.820 552 S CB 2.454 65.725 63.200 0.117 0.000 1.137 552 S HN -0.126 nan 8.310 nan 0.000 0.470 553 K N 0.534 121.052 120.400 0.196 0.000 2.535 553 K HA 0.563 4.883 4.320 -0.001 0.000 0.251 553 K C -2.057 174.730 176.600 0.310 0.000 0.942 553 K CA -0.234 56.217 56.287 0.274 0.000 0.798 553 K CB 0.945 33.560 32.500 0.191 0.000 1.267 553 K HN 0.843 nan 8.250 nan 0.000 0.434 554 H N 0.938 120.168 119.070 0.266 0.000 2.610 554 H HA 0.457 5.013 4.556 -0.001 0.000 0.336 554 H C -0.200 175.373 175.328 0.408 0.000 1.087 554 H CA -0.135 56.121 56.048 0.347 0.000 1.405 554 H CB 0.984 31.047 29.762 0.503 0.000 1.460 554 H HN 0.394 nan 8.280 nan 0.000 0.538 555 V N 1.023 121.201 119.914 0.439 0.000 2.914 555 V HA 0.787 4.906 4.120 -0.001 0.000 0.314 555 V C -0.683 175.747 176.094 0.560 0.000 1.084 555 V CA -0.878 61.674 62.300 0.419 0.000 0.963 555 V CB 2.106 33.919 31.823 -0.017 0.000 1.025 555 V HN 0.461 nan 8.190 nan 0.000 0.432 556 V N 3.632 123.897 119.914 0.585 0.000 2.709 556 V HA 0.648 4.768 4.120 -0.001 0.000 0.308 556 V C -0.536 175.915 176.094 0.596 0.000 1.062 556 V CA -0.384 62.225 62.300 0.514 0.000 0.901 556 V CB 1.938 33.905 31.823 0.240 0.000 1.003 556 V HN 0.940 nan 8.190 nan 0.000 0.425 557 M N 3.954 123.876 119.600 0.536 0.000 2.436 557 M HA 0.499 4.979 4.480 -0.001 0.000 0.331 557 M C -0.531 176.046 176.300 0.461 0.000 1.135 557 M CA -0.314 55.278 55.300 0.487 0.000 0.987 557 M CB 1.236 34.064 32.600 0.379 0.000 1.687 557 M HN 0.752 nan 8.290 nan 0.000 0.445 558 H N 1.921 121.219 119.070 0.379 0.000 2.469 558 H HA 0.488 5.043 4.556 -0.001 0.000 0.342 558 H C -1.350 174.111 175.328 0.222 0.000 1.115 558 H CA -0.577 55.658 56.048 0.311 0.000 1.204 558 H CB 1.207 31.227 29.762 0.429 0.000 1.492 558 H HN 0.657 nan 8.280 nan 0.000 0.499 559 N N 3.085 121.566 118.700 -0.366 0.000 2.518 559 N HA 0.038 4.778 4.740 -0.001 0.000 0.254 559 N C 0.342 175.519 175.510 -0.555 0.000 0.979 559 N CA -0.299 52.536 53.050 -0.358 0.000 0.930 559 N CB 1.615 39.998 38.487 -0.174 0.000 1.152 559 N HN 0.632 nan 8.380 nan 0.000 0.505 560 T N 2.950 117.226 114.554 -0.464 0.000 3.035 560 T HA 0.162 4.511 4.350 -0.001 0.000 0.268 560 T C 0.704 175.363 174.700 -0.068 0.000 1.109 560 T CA 0.487 62.478 62.100 -0.182 0.000 1.119 560 T CB -0.235 68.657 68.868 0.039 0.000 0.900 560 T HN 0.419 nan 8.240 nan 0.000 0.503 561 L N 2.826 123.958 121.223 -0.152 0.000 2.417 561 L HA 0.300 4.640 4.340 -0.001 0.000 0.268 561 L C -1.560 175.172 176.870 -0.230 0.000 1.158 561 L CA -1.844 52.874 54.840 -0.203 0.000 0.819 561 L CB 0.646 42.450 42.059 -0.425 0.000 1.112 561 L HN -0.025 nan 8.230 nan 0.000 0.458 562 P HA 0.043 nan 4.420 nan 0.000 0.243 562 P C -0.944 176.383 177.300 0.046 0.000 1.668 562 P CA 0.339 63.434 63.100 -0.008 0.000 0.898 562 P CB -0.329 31.422 31.700 0.085 0.000 1.637 563 H N -3.249 115.842 119.070 0.035 0.000 3.012 563 H HA 0.239 4.794 4.556 -0.001 0.000 0.367 563 H C -1.031 174.324 175.328 0.045 0.000 1.211 563 H CA -1.065 55.025 56.048 0.071 0.000 1.139 563 H CB -0.033 29.803 29.762 0.123 0.000 1.838 563 H HN -0.125 nan 8.280 nan 0.000 0.550 564 W N 1.695 123.115 121.300 0.200 0.000 2.231 564 W HA 0.239 4.898 4.660 -0.001 0.000 0.341 564 W C 0.879 177.511 176.519 0.189 0.000 1.298 564 W CA 0.479 57.904 57.345 0.134 0.000 1.266 564 W CB 0.474 29.998 29.460 0.107 0.000 1.172 564 W HN 0.521 nan 8.180 nan 0.000 0.568 565 R N 2.243 122.953 120.500 0.350 0.000 2.604 565 R HA 0.279 4.619 4.340 -0.001 0.000 0.281 565 R C -1.147 175.289 176.300 0.228 0.000 1.020 565 R CA -0.665 55.594 56.100 0.264 0.000 0.899 565 R CB 1.407 31.786 30.300 0.131 0.000 1.205 565 R HN 0.501 nan 8.270 nan 0.000 0.450 566 E N 2.469 122.781 120.200 0.186 0.000 2.191 566 E HA 0.253 4.603 4.350 -0.001 0.000 0.274 566 E C -1.244 175.405 176.600 0.081 0.000 0.948 566 E CA -0.761 55.724 56.400 0.141 0.000 0.802 566 E CB 2.384 32.161 29.700 0.128 0.000 1.137 566 E HN 0.394 nan 8.360 nan 0.000 0.397 567 Q N 3.065 122.890 119.800 0.040 0.000 2.352 567 Q HA 0.259 4.599 4.340 -0.001 0.000 0.270 567 Q C -1.464 174.495 176.000 -0.069 0.000 1.006 567 Q CA -0.604 55.193 55.803 -0.011 0.000 0.880 567 Q CB 1.452 30.173 28.738 -0.028 0.000 1.392 567 Q HN 0.550 nan 8.270 nan 0.000 0.401 568 L N 3.192 124.370 121.223 -0.076 0.000 2.456 568 L HA 0.354 4.693 4.340 -0.001 0.000 0.272 568 L C 0.204 176.939 176.870 -0.225 0.000 1.189 568 L CA -0.312 54.445 54.840 -0.138 0.000 0.846 568 L CB 0.556 42.569 42.059 -0.077 0.000 1.111 568 L HN 0.475 nan 8.230 nan 0.000 0.475 569 V N -0.732 118.947 119.914 -0.392 0.000 2.914 569 V HA 0.699 4.819 4.120 -0.001 0.000 0.314 569 V C -0.958 174.864 176.094 -0.453 0.000 1.084 569 V CA -0.876 61.148 62.300 -0.460 0.000 0.963 569 V CB 2.172 33.664 31.823 -0.552 0.000 1.025 569 V HN 0.801 nan 8.190 nan 0.000 0.432 570 D N 1.504 121.632 120.400 -0.454 0.000 2.601 570 D HA 0.647 5.286 4.640 -0.001 0.000 0.230 570 D C -1.392 174.593 176.300 -0.524 0.000 1.106 570 D CA -0.426 53.414 54.000 -0.266 0.000 0.873 570 D CB 2.447 43.192 40.800 -0.092 0.000 1.515 570 D HN 0.445 nan 8.370 nan 0.000 0.468 571 F N -0.119 119.890 119.950 0.097 0.000 2.599 571 F HA 0.344 4.870 4.527 -0.001 0.000 0.311 571 F C -0.575 175.378 175.800 0.255 0.000 1.076 571 F CA -1.040 57.029 58.000 0.115 0.000 0.937 571 F CB 1.587 40.700 39.000 0.188 0.000 1.282 571 F HN 0.151 nan 8.300 nan 0.000 0.460 572 Y N 2.031 122.489 120.300 0.264 0.000 2.304 572 Y HA 0.582 5.131 4.550 -0.001 0.000 0.328 572 Y C 0.177 176.202 175.900 0.208 0.000 1.123 572 Y CA -1.488 56.719 58.100 0.177 0.000 1.218 572 Y CB 1.061 39.580 38.460 0.098 0.000 1.207 572 Y HN 0.352 nan 8.280 nan 0.000 0.495 573 V N -0.528 119.589 119.914 0.338 0.000 3.007 573 V HA 0.546 4.665 4.120 -0.001 0.000 0.311 573 V C 0.273 176.503 176.094 0.227 0.000 1.120 573 V CA -0.789 61.669 62.300 0.263 0.000 0.980 573 V CB 1.689 33.667 31.823 0.258 0.000 1.033 573 V HN 0.672 nan 8.190 nan 0.000 0.429 574 S N 0.352 116.164 115.700 0.187 0.000 2.631 574 S HA 0.283 4.752 4.470 -0.001 0.000 0.217 574 S C 0.630 175.365 174.600 0.225 0.000 0.958 574 S CA 0.463 58.762 58.200 0.166 0.000 0.920 574 S CB -0.286 62.983 63.200 0.114 0.000 0.776 574 S HN 1.490 nan 8.310 nan 0.000 0.517 575 S N 1.231 117.068 115.700 0.228 0.000 2.541 575 S HA 0.583 5.052 4.470 -0.001 0.000 0.271 575 S C -2.638 171.886 174.600 -0.126 0.000 1.133 575 S CA -1.347 56.890 58.200 0.061 0.000 0.876 575 S CB 1.955 65.194 63.200 0.064 0.000 1.105 575 S HN 0.021 nan 8.310 nan 0.000 0.470 576 P HA 0.211 nan 4.420 nan 0.000 0.240 576 P C -0.266 176.885 177.300 -0.248 0.000 1.190 576 P CA 0.264 62.982 63.100 -0.637 0.000 0.781 576 P CB -0.147 30.866 31.700 -1.145 0.000 0.931 577 F N 0.878 120.839 119.950 0.018 0.000 2.467 577 F HA 0.283 4.809 4.527 -0.001 0.000 0.349 577 F C 0.445 176.289 175.800 0.074 0.000 1.182 577 F CA -1.113 56.928 58.000 0.068 0.000 1.279 577 F CB 0.079 39.085 39.000 0.011 0.000 1.626 577 F HN -0.333 nan 8.300 nan 0.000 0.596 578 V N 1.171 121.223 119.914 0.231 0.000 2.709 578 V HA 0.656 4.776 4.120 -0.001 0.000 0.308 578 V C -0.367 175.795 176.094 0.113 0.000 1.062 578 V CA -0.861 61.531 62.300 0.153 0.000 0.901 578 V CB 2.362 34.267 31.823 0.138 0.000 1.003 578 V HN 0.524 nan 8.190 nan 0.000 0.425 579 S N 2.981 118.729 115.700 0.080 0.000 2.600 579 S HA 0.896 5.365 4.470 -0.001 0.000 0.300 579 S C -0.946 173.641 174.600 -0.022 0.000 1.087 579 S CA -0.825 57.402 58.200 0.045 0.000 0.965 579 S CB 2.102 65.345 63.200 0.072 0.000 1.089 579 S HN 0.444 nan 8.310 nan 0.000 0.496 580 V N 1.856 121.720 119.914 -0.083 0.000 2.628 580 V HA 0.816 4.935 4.120 -0.001 0.000 0.306 580 V C 0.060 176.067 176.094 -0.144 0.000 1.045 580 V CA -0.445 61.728 62.300 -0.213 0.000 0.905 580 V CB 1.598 33.110 31.823 -0.518 0.000 0.997 580 V HN 1.209 nan 8.190 nan 0.000 0.436 581 T N -0.517 113.970 114.554 -0.112 0.000 2.903 581 T HA 0.630 4.980 4.350 -0.001 0.000 0.299 581 T C -0.851 173.832 174.700 -0.029 0.000 1.093 581 T CA -0.930 61.128 62.100 -0.070 0.000 1.002 581 T CB 2.022 70.842 68.868 -0.081 0.000 1.127 581 T HN 0.716 nan 8.240 nan 0.000 0.488 582 D N 0.702 121.060 120.400 -0.070 0.000 2.433 582 D HA 0.209 4.848 4.640 -0.001 0.000 0.255 582 D C 0.841 177.010 176.300 -0.218 0.000 1.226 582 D CA -1.133 52.716 54.000 -0.252 0.000 1.015 582 D CB 0.307 40.949 40.800 -0.264 0.000 1.091 582 D HN 0.312 nan 8.370 nan 0.000 0.527 583 L N -0.622 120.456 121.223 -0.241 0.000 2.627 583 L HA 0.276 4.615 4.340 -0.001 0.000 0.233 583 L C 1.615 178.411 176.870 -0.124 0.000 1.144 583 L CA 0.588 55.324 54.840 -0.174 0.000 0.892 583 L CB -0.949 41.012 42.059 -0.163 0.000 1.039 583 L HN 0.641 nan 8.230 nan 0.000 0.442 584 A N -1.393 121.359 122.820 -0.113 0.000 2.423 584 A HA 0.173 4.493 4.320 -0.001 0.000 0.246 584 A C 1.112 178.651 177.584 -0.075 0.000 1.278 584 A CA -0.027 51.960 52.037 -0.083 0.000 0.903 584 A CB -0.355 18.601 19.000 -0.073 0.000 0.997 584 A HN 0.446 nan 8.150 nan 0.000 0.510 585 N N 0.216 118.864 118.700 -0.086 0.000 2.782 585 N HA -0.129 4.611 4.740 -0.001 0.000 0.251 585 N C -1.011 174.455 175.510 -0.072 0.000 1.101 585 N CA 0.621 53.627 53.050 -0.074 0.000 0.764 585 N CB -1.137 37.317 38.487 -0.055 0.000 1.122 585 N HN 0.596 nan 8.380 nan 0.000 0.561 586 N N 1.738 120.391 118.700 -0.078 0.000 2.497 586 N HA 0.243 4.983 4.740 -0.001 0.000 0.271 586 N C -2.275 173.168 175.510 -0.111 0.000 1.142 586 N CA -0.645 52.354 53.050 -0.085 0.000 0.965 586 N CB 0.665 39.112 38.487 -0.067 0.000 1.077 586 N HN 0.196 nan 8.380 nan 0.000 0.462 587 P HA 0.079 nan 4.420 nan 0.000 0.271 587 P C -0.506 176.665 177.300 -0.216 0.000 1.218 587 P CA -0.126 62.801 63.100 -0.289 0.000 0.780 587 P CB 0.889 32.152 31.700 -0.728 0.000 0.901 588 V N 2.530 122.362 119.914 -0.137 0.000 2.487 588 V HA 0.208 4.328 4.120 -0.001 0.000 0.298 588 V C 0.523 176.613 176.094 -0.006 0.000 1.028 588 V CA -0.842 61.434 62.300 -0.039 0.000 0.860 588 V CB 1.457 33.267 31.823 -0.022 0.000 0.991 588 V HN 0.580 nan 8.190 nan 0.000 0.427 589 E N 3.005 123.241 120.200 0.059 0.000 2.415 589 E HA 0.451 4.800 4.350 -0.001 0.000 0.263 589 E C -0.207 176.462 176.600 0.115 0.000 0.995 589 E CA 0.115 56.580 56.400 0.109 0.000 0.915 589 E CB 0.850 30.617 29.700 0.112 0.000 0.951 589 E HN 0.879 nan 8.360 nan 0.000 0.449 590 A N 4.303 127.180 122.820 0.095 0.000 2.527 590 A HA 0.442 4.762 4.320 -0.001 0.000 0.293 590 A C -1.274 176.331 177.584 0.035 0.000 1.117 590 A CA -0.708 51.395 52.037 0.110 0.000 0.723 590 A CB 1.957 21.014 19.000 0.095 0.000 1.313 590 A HN 0.668 nan 8.150 nan 0.000 0.411 591 Q N 0.705 120.533 119.800 0.048 0.000 2.347 591 Q HA 0.646 4.986 4.340 -0.001 0.000 0.271 591 Q C -2.043 173.957 176.000 -0.001 0.000 1.064 591 Q CA -0.544 55.246 55.803 -0.021 0.000 0.800 591 Q CB 2.209 30.971 28.738 0.041 0.000 1.304 591 Q HN 0.575 nan 8.270 nan 0.000 0.438 592 V N 2.584 122.436 119.914 -0.104 0.000 2.513 592 V HA 0.576 4.696 4.120 -0.001 0.000 0.299 592 V C -0.530 175.749 176.094 0.307 0.000 1.035 592 V CA -0.311 62.042 62.300 0.088 0.000 0.889 592 V CB 1.855 33.692 31.823 0.023 0.000 0.988 592 V HN 0.840 nan 8.190 nan 0.000 0.440 593 S N 5.154 121.063 115.700 0.348 0.000 2.634 593 S HA 0.698 5.167 4.470 -0.001 0.000 0.296 593 S C -2.741 171.942 174.600 0.138 0.000 1.104 593 S CA -1.146 57.243 58.200 0.315 0.000 0.920 593 S CB 2.447 65.779 63.200 0.220 0.000 1.111 593 S HN 0.542 nan 8.310 nan 0.000 0.493 594 P HA 0.285 nan 4.420 nan 0.000 0.274 594 P C -1.185 175.802 177.300 -0.522 0.000 1.256 594 P CA -0.522 62.228 63.100 -0.583 0.000 0.795 594 P CB 0.396 31.355 31.700 -1.236 0.000 1.038 595 V N 1.441 120.971 119.914 -0.640 0.000 2.364 595 V HA 0.222 4.341 4.120 -0.001 0.000 0.272 595 V C -0.638 175.145 176.094 -0.517 0.000 1.036 595 V CA -0.179 61.830 62.300 -0.485 0.000 0.880 595 V CB -0.118 31.336 31.823 -0.616 0.000 0.991 595 V HN 0.519 nan 8.190 nan 0.000 0.460 596 W N 3.043 124.255 121.300 -0.146 0.000 2.429 596 W HA 0.632 5.292 4.660 -0.001 0.000 0.314 596 W C 0.227 176.660 176.519 -0.144 0.000 1.062 596 W CA -0.329 56.911 57.345 -0.176 0.000 1.211 596 W CB 1.880 31.243 29.460 -0.161 0.000 1.305 596 W HN 0.418 nan 8.180 nan 0.000 0.476 597 S N 2.008 117.730 115.700 0.037 0.000 2.500 597 S HA 0.432 4.901 4.470 -0.001 0.000 0.301 597 S C -1.412 172.972 174.600 -0.360 0.000 1.092 597 S CA -0.775 57.378 58.200 -0.078 0.000 1.030 597 S CB 1.021 64.178 63.200 -0.071 0.000 1.031 597 S HN 0.342 nan 8.310 nan 0.000 0.483 598 W N 2.491 123.547 121.300 -0.407 0.000 2.438 598 W HA 0.486 5.146 4.660 -0.001 0.000 0.324 598 W C 0.362 176.462 176.519 -0.698 0.000 1.119 598 W CA -0.251 56.851 57.345 -0.405 0.000 1.221 598 W CB 0.682 30.018 29.460 -0.207 0.000 1.253 598 W HN 0.550 nan 8.180 nan 0.000 0.555 599 H N 1.307 120.406 119.070 0.049 0.000 2.667 599 H HA 0.108 4.663 4.556 -0.001 0.000 0.353 599 H C -0.877 174.484 175.328 0.054 0.000 1.072 599 H CA -0.866 55.170 56.048 -0.021 0.000 1.214 599 H CB 1.615 31.275 29.762 -0.169 0.000 1.600 599 H HN 0.576 nan 8.280 nan 0.000 0.527 600 H N 3.215 122.349 119.070 0.107 0.000 3.004 600 H HA -0.012 4.544 4.556 -0.001 0.000 0.267 600 H C -0.551 174.832 175.328 0.093 0.000 1.165 600 H CA -0.513 55.589 56.048 0.090 0.000 1.450 600 H CB 0.361 30.162 29.762 0.064 0.000 1.488 600 H HN 0.456 nan 8.280 nan 0.000 0.478 601 D N 4.496 125.052 120.400 0.259 0.000 2.352 601 D HA -0.054 4.586 4.640 -0.001 0.000 0.245 601 D C 1.327 177.634 176.300 0.012 0.000 1.224 601 D CA -0.090 53.994 54.000 0.139 0.000 0.879 601 D CB 1.048 42.055 40.800 0.345 0.000 1.057 601 D HN 0.758 nan 8.370 nan 0.000 0.491 602 T N 1.341 115.802 114.554 -0.155 0.000 3.113 602 T HA -0.060 4.289 4.350 -0.001 0.000 0.263 602 T C 1.727 176.404 174.700 -0.038 0.000 1.143 602 T CA 0.109 62.110 62.100 -0.164 0.000 1.090 602 T CB 0.180 68.933 68.868 -0.193 0.000 0.922 602 T HN 0.250 nan 8.240 nan 0.000 0.521 603 L N 2.156 123.378 121.223 -0.001 0.000 2.130 603 L HA 0.120 4.460 4.340 -0.001 0.000 0.200 603 L C 2.982 179.872 176.870 0.034 0.000 1.075 603 L CA 2.127 56.975 54.840 0.014 0.000 0.768 603 L CB -1.636 40.430 42.059 0.012 0.000 0.933 603 L HN 0.541 nan 8.230 nan 0.000 0.451 604 T N -3.788 110.802 114.554 0.059 0.000 3.088 604 T HA -0.015 4.335 4.350 -0.001 0.000 0.259 604 T C 0.755 175.507 174.700 0.087 0.000 1.122 604 T CA -0.114 62.020 62.100 0.056 0.000 1.095 604 T CB 0.086 68.977 68.868 0.038 0.000 0.930 604 T HN 0.119 nan 8.240 nan 0.000 0.508 605 K N 2.022 122.498 120.400 0.127 0.000 3.125 605 K HA -0.123 4.197 4.320 -0.001 0.000 0.268 605 K C 0.071 176.784 176.600 0.188 0.000 1.078 605 K CA 1.221 57.612 56.287 0.174 0.000 0.775 605 K CB -2.904 29.666 32.500 0.118 0.000 1.253 605 K HN 0.870 nan 8.250 nan 0.000 0.486 606 T N -2.785 111.917 114.554 0.247 0.000 2.906 606 T HA 0.804 5.153 4.350 -0.001 0.000 0.295 606 T C 0.220 175.139 174.700 0.366 0.000 1.075 606 T CA -1.051 61.199 62.100 0.250 0.000 1.005 606 T CB 2.289 71.280 68.868 0.205 0.000 1.136 606 T HN 0.146 nan 8.240 nan 0.000 0.498 607 I N 3.075 123.826 120.570 0.301 0.000 2.354 607 I HA 0.507 4.677 4.170 -0.001 0.000 0.286 607 I C -0.356 176.043 176.117 0.469 0.000 1.007 607 I CA -0.674 60.813 61.300 0.312 0.000 1.167 607 I CB 0.582 38.682 38.000 0.166 0.000 1.320 607 I HN 0.928 nan 8.210 nan 0.000 0.458 608 H N 5.893 125.141 119.070 0.296 0.000 3.016 608 H HA 0.665 5.220 4.556 -0.001 0.000 0.362 608 H C -3.172 171.982 175.328 -0.290 0.000 1.233 608 H CA -2.317 53.753 56.048 0.036 0.000 1.124 608 H CB 1.881 31.657 29.762 0.023 0.000 1.850 608 H HN 0.147 nan 8.280 nan 0.000 0.549 609 P HA 0.211 nan 4.420 nan 0.000 0.290 609 P C -1.068 176.159 177.300 -0.121 0.000 1.275 609 P CA -0.689 61.911 63.100 -0.834 0.000 0.841 609 P CB 1.922 32.739 31.700 -1.472 0.000 1.042 610 Q N 0.856 120.682 119.800 0.043 0.000 2.337 610 Q HA 0.581 4.920 4.340 -0.001 0.000 0.266 610 Q C 0.159 176.231 176.000 0.120 0.000 1.023 610 Q CA -0.584 55.322 55.803 0.173 0.000 0.829 610 Q CB 2.834 31.668 28.738 0.160 0.000 1.306 610 Q HN 0.591 nan 8.270 nan 0.000 0.449 611 G N 0.561 109.313 108.800 -0.080 0.000 2.410 611 G HA2 0.369 4.329 3.960 -0.001 0.000 0.330 611 G HA3 0.369 4.329 3.960 -0.001 0.000 0.330 611 G C -0.522 174.121 174.900 -0.428 0.000 1.142 611 G CA -0.335 44.391 45.100 -0.624 0.000 0.902 611 G HN 0.413 nan 8.290 nan 0.000 0.491 612 S N -0.910 114.475 115.700 -0.525 0.000 2.584 612 S HA 0.396 4.865 4.470 -0.001 0.000 0.273 612 S C 1.447 175.776 174.600 -0.451 0.000 1.311 612 S CA 0.151 58.087 58.200 -0.439 0.000 1.034 612 S CB 0.870 63.756 63.200 -0.524 0.000 0.939 612 S HN 0.887 nan 8.310 nan 0.000 0.513 613 T N -0.205 114.173 114.554 -0.293 0.000 3.092 613 T HA 0.179 4.528 4.350 -0.001 0.000 0.258 613 T C 1.016 175.638 174.700 -0.131 0.000 1.031 613 T CA 0.424 62.426 62.100 -0.163 0.000 0.925 613 T CB -0.176 68.650 68.868 -0.070 0.000 1.036 613 T HN 0.698 nan 8.240 nan 0.000 0.544 614 T N -2.476 111.891 114.554 -0.312 0.000 3.046 614 T HA 0.372 4.721 4.350 -0.001 0.000 0.270 614 T C 0.223 174.707 174.700 -0.361 0.000 0.920 614 T CA -0.480 61.495 62.100 -0.207 0.000 0.874 614 T CB 0.311 69.117 68.868 -0.103 0.000 1.214 614 T HN 0.154 nan 8.240 nan 0.000 0.536 615 K N 0.994 120.978 120.400 -0.693 0.000 2.259 615 K HA 0.661 4.980 4.320 -0.001 0.000 0.252 615 K C -1.756 174.204 176.600 -1.068 0.000 0.936 615 K CA -0.655 55.266 56.287 -0.610 0.000 0.810 615 K CB 1.978 34.157 32.500 -0.535 0.000 1.143 615 K HN 0.199 nan 8.250 nan 0.000 0.427 616 Y N 0.054 120.279 120.300 -0.126 0.000 2.609 616 Y HA 0.414 4.964 4.550 -0.001 0.000 0.342 616 Y C -0.078 175.841 175.900 0.032 0.000 1.058 616 Y CA -1.103 56.956 58.100 -0.068 0.000 1.055 616 Y CB 1.668 40.152 38.460 0.039 0.000 1.292 616 Y HN 0.263 nan 8.280 nan 0.000 0.476 617 R N 1.738 122.379 120.500 0.235 0.000 2.294 617 R HA 0.584 4.923 4.340 -0.001 0.000 0.319 617 R C -1.256 175.218 176.300 0.290 0.000 0.984 617 R CA -0.672 55.606 56.100 0.298 0.000 0.861 617 R CB 1.735 32.187 30.300 0.253 0.000 1.104 617 R HN 0.651 nan 8.270 nan 0.000 0.451 618 I N 4.169 124.931 120.570 0.319 0.000 2.412 618 I HA 0.432 4.601 4.170 -0.001 0.000 0.296 618 I C -1.033 175.274 176.117 0.317 0.000 0.987 618 I CA -0.726 60.753 61.300 0.299 0.000 1.180 618 I CB 1.012 39.200 38.000 0.312 0.000 1.340 618 I HN 0.543 nan 8.210 nan 0.000 0.455 619 I N 8.092 128.819 120.570 0.260 0.000 2.545 619 I HA 0.520 4.690 4.170 -0.001 0.000 0.292 619 I C -1.042 175.234 176.117 0.265 0.000 1.040 619 I CA -0.541 60.862 61.300 0.171 0.000 1.068 619 I CB 1.716 39.775 38.000 0.098 0.000 1.251 619 I HN 0.521 nan 8.210 nan 0.000 0.424 620 F N 2.661 122.635 119.950 0.040 0.000 2.686 620 F HA 0.561 5.088 4.527 -0.001 0.000 0.311 620 F C -1.023 174.760 175.800 -0.027 0.000 1.128 620 F CA -1.327 56.675 58.000 0.003 0.000 0.946 620 F CB 1.286 40.273 39.000 -0.022 0.000 1.336 620 F HN 0.203 nan 8.300 nan 0.000 0.457 621 K N 1.936 122.436 120.400 0.166 0.000 2.285 621 K HA 0.726 5.045 4.320 -0.001 0.000 0.286 621 K C -0.609 176.049 176.600 0.096 0.000 1.072 621 K CA -0.336 55.985 56.287 0.057 0.000 0.913 621 K CB 0.759 33.322 32.500 0.105 0.000 1.067 621 K HN 0.933 nan 8.250 nan 0.000 0.479 622 A N 4.645 127.425 122.820 -0.068 0.000 2.310 622 A HA 0.396 4.715 4.320 -0.001 0.000 0.299 622 A C -0.583 177.138 177.584 0.228 0.000 1.147 622 A CA -0.634 51.433 52.037 0.050 0.000 0.818 622 A CB 0.622 19.610 19.000 -0.021 0.000 1.096 622 A HN 0.882 nan 8.150 nan 0.000 0.495 623 R N 2.004 122.748 120.500 0.408 0.000 2.439 623 R HA 0.607 4.946 4.340 -0.001 0.000 0.310 623 R C -1.886 174.676 176.300 0.437 0.000 0.955 623 R CA -0.246 56.082 56.100 0.381 0.000 0.853 623 R CB 1.406 31.914 30.300 0.346 0.000 1.171 623 R HN 0.507 nan 8.270 nan 0.000 0.449 624 V N 5.858 125.982 119.914 0.349 0.000 2.735 624 V HA 0.498 4.617 4.120 -0.001 0.000 0.310 624 V C -2.290 173.698 176.094 -0.177 0.000 1.061 624 V CA -2.336 60.057 62.300 0.156 0.000 0.913 624 V CB 1.968 33.862 31.823 0.119 0.000 1.005 624 V HN 0.778 nan 8.190 nan 0.000 0.428 625 P HA 0.258 nan 4.420 nan 0.000 0.273 625 P C -2.759 174.052 177.300 -0.815 0.000 1.250 625 P CA -1.507 60.682 63.100 -1.517 0.000 0.793 625 P CB -0.179 30.835 31.700 -1.142 0.000 1.011 626 P HA 0.091 nan 4.420 nan 0.000 0.264 626 P C 0.088 177.346 177.300 -0.070 0.000 1.193 626 P CA 0.605 63.516 63.100 -0.316 0.000 0.763 626 P CB -0.239 31.347 31.700 -0.189 0.000 0.810 627 M N 0.392 119.994 119.600 0.004 0.000 2.253 627 M HA -0.215 4.265 4.480 -0.001 0.000 0.199 627 M C 0.567 177.069 176.300 0.337 0.000 0.342 627 M CA 0.947 56.392 55.300 0.242 0.000 0.417 627 M CB -2.025 30.813 32.600 0.397 0.000 1.338 627 M HN 0.586 nan 8.290 nan 0.000 0.920 628 G N -0.195 108.658 108.800 0.088 0.000 3.022 628 G HA2 0.936 4.895 3.960 -0.001 0.000 0.284 628 G HA3 0.936 4.895 3.960 -0.001 0.000 0.284 628 G C -1.338 173.696 174.900 0.222 0.000 1.375 628 G CA -0.970 44.153 45.100 0.038 0.000 0.902 628 G HN 0.187 nan 8.290 nan 0.000 0.538 629 L N -0.524 120.813 121.223 0.189 0.000 2.388 629 L HA 0.807 5.146 4.340 -0.001 0.000 0.264 629 L C -0.250 176.718 176.870 0.163 0.000 0.998 629 L CA -1.044 53.939 54.840 0.238 0.000 0.817 629 L CB 2.480 44.686 42.059 0.245 0.000 1.338 629 L HN 0.769 nan 8.230 nan 0.000 0.414 630 A N 0.748 123.704 122.820 0.227 0.000 2.427 630 A HA 0.805 5.124 4.320 -0.001 0.000 0.298 630 A C -0.810 176.921 177.584 0.244 0.000 1.036 630 A CA -0.447 51.704 52.037 0.190 0.000 0.701 630 A CB 1.746 20.909 19.000 0.271 0.000 1.250 630 A HN 0.556 nan 8.150 nan 0.000 0.412 631 T N 2.048 116.642 114.554 0.066 0.000 2.829 631 T HA 0.664 5.014 4.350 -0.001 0.000 0.282 631 T C -1.057 173.552 174.700 -0.151 0.000 0.990 631 T CA 0.207 62.390 62.100 0.139 0.000 1.028 631 T CB 0.403 69.358 68.868 0.144 0.000 0.951 631 T HN 0.443 nan 8.240 nan 0.000 0.460 632 Y N 0.206 120.590 120.300 0.141 0.000 2.634 632 Y HA 0.673 5.223 4.550 -0.001 0.000 0.340 632 Y C -0.382 175.444 175.900 -0.123 0.000 1.058 632 Y CA -1.170 56.927 58.100 -0.005 0.000 1.081 632 Y CB 1.709 40.182 38.460 0.021 0.000 1.295 632 Y HN 0.313 nan 8.280 nan 0.000 0.487 633 V N 3.032 122.915 119.914 -0.052 0.000 2.588 633 V HA 0.450 4.569 4.120 -0.001 0.000 0.304 633 V C -0.831 175.210 176.094 -0.088 0.000 1.042 633 V CA -0.951 61.258 62.300 -0.152 0.000 0.877 633 V CB 1.792 33.454 31.823 -0.268 0.000 0.996 633 V HN 0.488 nan 8.190 nan 0.000 0.425 634 L N 3.880 125.079 121.223 -0.039 0.000 2.296 634 L HA 0.695 5.034 4.340 -0.001 0.000 0.286 634 L C -0.118 176.772 176.870 0.035 0.000 1.023 634 L CA -0.154 54.678 54.840 -0.014 0.000 0.812 634 L CB 1.810 43.875 42.059 0.010 0.000 1.223 634 L HN 0.595 nan 8.230 nan 0.000 0.421 635 T N 3.635 118.212 114.554 0.038 0.000 2.861 635 T HA 0.484 4.834 4.350 -0.001 0.000 0.287 635 T C -0.298 174.452 174.700 0.083 0.000 1.003 635 T CA -0.386 61.750 62.100 0.060 0.000 0.977 635 T CB 2.462 71.355 68.868 0.042 0.000 0.996 635 T HN 0.392 nan 8.240 nan 0.000 0.448 636 I N 2.926 123.553 120.570 0.095 0.000 2.612 636 I HA 0.571 4.740 4.170 -0.001 0.000 0.295 636 I C 0.177 176.358 176.117 0.106 0.000 1.011 636 I CA 0.013 61.385 61.300 0.120 0.000 1.326 636 I CB 0.857 38.931 38.000 0.123 0.000 1.427 636 I HN 0.820 nan 8.210 nan 0.000 0.537 637 S N 3.608 119.386 115.700 0.130 0.000 2.704 637 S HA 0.330 4.799 4.470 -0.001 0.000 0.296 637 S C 0.077 174.706 174.600 0.048 0.000 1.138 637 S CA -0.612 57.629 58.200 0.068 0.000 0.875 637 S CB 1.542 64.763 63.200 0.034 0.000 1.151 637 S HN 0.729 nan 8.310 nan 0.000 0.500 638 D N -0.130 120.241 120.400 -0.047 0.000 2.349 638 D HA 0.094 4.733 4.640 -0.001 0.000 0.215 638 D C 0.604 176.653 176.300 -0.418 0.000 1.016 638 D CA 0.470 54.405 54.000 -0.108 0.000 0.870 638 D CB -0.087 40.668 40.800 -0.074 0.000 0.917 638 D HN 0.601 nan 8.370 nan 0.000 0.524 639 S N -1.368 113.982 115.700 -0.583 0.000 2.688 639 S HA 0.338 4.807 4.470 -0.001 0.000 0.275 639 S C -0.730 173.437 174.600 -0.722 0.000 1.175 639 S CA -1.180 56.414 58.200 -1.009 0.000 0.818 639 S CB 1.457 64.352 63.200 -0.510 0.000 1.157 639 S HN -0.048 nan 8.310 nan 0.000 0.482 640 K N 1.809 121.892 120.400 -0.528 0.000 2.466 640 K HA 0.176 4.495 4.320 -0.001 0.000 0.278 640 K C -2.420 174.201 176.600 0.035 0.000 1.048 640 K CA -0.472 55.817 56.287 0.003 0.000 1.088 640 K CB -0.583 31.957 32.500 0.068 0.000 0.884 640 K HN 0.361 nan 8.250 nan 0.000 0.478 641 P HA 0.007 nan 4.420 nan 0.000 0.274 641 P C 0.507 177.825 177.300 0.029 0.000 1.231 641 P CA -0.330 62.815 63.100 0.075 0.000 0.790 641 P CB 0.776 32.546 31.700 0.117 0.000 0.951 642 E N 1.196 121.373 120.200 -0.038 0.000 2.160 642 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 642 E C 0.447 176.842 176.600 -0.342 0.000 0.991 642 E CA 1.159 57.441 56.400 -0.197 0.000 0.810 642 E CB -0.014 29.505 29.700 -0.301 0.000 0.742 642 E HN 0.489 nan 8.360 nan 0.000 0.466 643 H N -0.622 118.458 119.070 0.016 0.000 2.505 643 H HA 0.224 4.779 4.556 -0.001 0.000 0.286 643 H C -0.445 174.878 175.328 -0.009 0.000 1.072 643 H CA 0.167 56.219 56.048 0.007 0.000 1.141 643 H CB 0.769 30.534 29.762 0.005 0.000 1.550 643 H HN -0.050 nan 8.280 nan 0.000 0.547 644 T N 1.496 116.067 114.554 0.029 0.000 2.812 644 T HA 0.316 4.666 4.350 -0.001 0.000 0.282 644 T C 0.321 174.899 174.700 -0.203 0.000 0.990 644 T CA -0.693 61.358 62.100 -0.081 0.000 0.960 644 T CB 2.127 70.942 68.868 -0.089 0.000 0.948 644 T HN 0.266 nan 8.240 nan 0.000 0.438 645 S N 2.357 117.899 115.700 -0.264 0.000 2.718 645 S HA 0.783 5.252 4.470 -0.001 0.000 0.300 645 S C -1.371 172.902 174.600 -0.545 0.000 1.117 645 S CA -0.818 57.242 58.200 -0.232 0.000 1.002 645 S CB 0.872 64.042 63.200 -0.049 0.000 1.092 645 S HN 0.574 nan 8.310 nan 0.000 0.542 646 Y N -0.002 120.303 120.300 0.008 0.000 2.376 646 Y HA 0.642 5.192 4.550 -0.001 0.000 0.340 646 Y C 0.566 176.520 175.900 0.091 0.000 0.965 646 Y CA -0.805 57.285 58.100 -0.017 0.000 1.078 646 Y CB 1.688 39.999 38.460 -0.248 0.000 1.193 646 Y HN 1.027 nan 8.280 nan 0.000 0.452 647 A N 2.189 125.205 122.820 0.325 0.000 2.462 647 A HA 0.435 4.755 4.320 -0.001 0.000 0.243 647 A C 0.186 177.969 177.584 0.332 0.000 1.076 647 A CA -0.291 51.922 52.037 0.293 0.000 0.773 647 A CB 0.054 19.226 19.000 0.286 0.000 1.010 647 A HN 0.708 nan 8.150 nan 0.000 0.493 648 S N 1.549 117.377 115.700 0.214 0.000 2.603 648 S HA 0.341 4.811 4.470 -0.001 0.000 0.268 648 S C 0.041 174.732 174.600 0.152 0.000 1.317 648 S CA -0.557 57.751 58.200 0.180 0.000 1.012 648 S CB 0.304 63.568 63.200 0.107 0.000 0.926 648 S HN 0.755 nan 8.310 nan 0.000 0.539 649 N N 1.141 119.908 118.700 0.112 0.000 2.310 649 N HA 0.460 5.199 4.740 -0.001 0.000 0.292 649 N C -1.804 173.648 175.510 -0.098 0.000 1.049 649 N CA -0.562 52.510 53.050 0.036 0.000 0.849 649 N CB 2.208 40.795 38.487 0.168 0.000 1.532 649 N HN 0.330 nan 8.380 nan 0.000 0.479 650 L N 2.653 123.774 121.223 -0.170 0.000 2.406 650 L HA 0.487 4.826 4.340 -0.001 0.000 0.272 650 L C -1.531 175.176 176.870 -0.272 0.000 0.980 650 L CA -0.602 54.104 54.840 -0.222 0.000 0.831 650 L CB 1.550 43.535 42.059 -0.124 0.000 1.253 650 L HN 0.423 nan 8.230 nan 0.000 0.406 651 L N 6.754 127.762 121.223 -0.358 0.000 2.265 651 L HA 0.471 4.810 4.340 -0.001 0.000 0.289 651 L C -1.258 175.577 176.870 -0.058 0.000 1.033 651 L CA -0.348 54.349 54.840 -0.237 0.000 0.814 651 L CB 1.142 43.053 42.059 -0.246 0.000 1.203 651 L HN 0.680 nan 8.230 nan 0.000 0.423 652 L N 7.343 128.553 121.223 -0.022 0.000 2.262 652 L HA 0.585 4.924 4.340 -0.001 0.000 0.288 652 L C -0.059 176.846 176.870 0.058 0.000 1.035 652 L CA -0.462 54.396 54.840 0.030 0.000 0.820 652 L CB 0.940 43.007 42.059 0.014 0.000 1.204 652 L HN 0.661 nan 8.230 nan 0.000 0.424 653 R N 1.859 122.406 120.500 0.079 0.000 2.739 653 R HA 0.418 4.757 4.340 -0.001 0.000 0.266 653 R C -1.629 174.707 176.300 0.060 0.000 1.044 653 R CA -1.174 54.968 56.100 0.071 0.000 0.885 653 R CB 1.082 31.427 30.300 0.074 0.000 1.260 653 R HN 0.092 nan 8.270 nan 0.000 0.477 654 K N 1.742 122.167 120.400 0.042 0.000 2.295 654 K HA 0.067 4.387 4.320 -0.001 0.000 0.270 654 K C 0.056 176.661 176.600 0.007 0.000 1.011 654 K CA -0.277 56.025 56.287 0.025 0.000 0.953 654 K CB 0.169 32.681 32.500 0.021 0.000 0.956 654 K HN 0.833 nan 8.250 nan 0.000 0.477 655 N N 0.489 119.183 118.700 -0.011 0.000 2.746 655 N HA -0.112 4.628 4.740 -0.001 0.000 0.250 655 N C -2.525 172.945 175.510 -0.066 0.000 1.055 655 N CA 0.192 53.218 53.050 -0.039 0.000 0.699 655 N CB -0.765 37.702 38.487 -0.034 0.000 0.919 655 N HN 0.481 nan 8.380 nan 0.000 0.548 656 P HA 0.322 nan 4.420 nan 0.000 0.276 656 P C -0.289 176.852 177.300 -0.266 0.000 1.252 656 P CA -0.105 62.910 63.100 -0.141 0.000 0.802 656 P CB 1.067 32.677 31.700 -0.150 0.000 1.035 657 T N -2.949 111.442 114.554 -0.272 0.000 2.916 657 T HA 0.478 4.827 4.350 -0.001 0.000 0.292 657 T C 0.227 174.744 174.700 -0.305 0.000 1.064 657 T CA -0.763 61.180 62.100 -0.261 0.000 1.011 657 T CB 0.649 69.433 68.868 -0.140 0.000 1.152 657 T HN 0.483 nan 8.240 nan 0.000 0.510 658 S N 0.745 116.317 115.700 -0.214 0.000 2.573 658 S HA 0.402 4.871 4.470 -0.001 0.000 0.277 658 S C -0.141 174.548 174.600 0.149 0.000 1.346 658 S CA -0.744 57.425 58.200 -0.052 0.000 1.034 658 S CB -0.360 62.828 63.200 -0.019 0.000 0.879 658 S HN 0.697 nan 8.310 nan 0.000 0.528 659 L N 2.412 123.824 121.223 0.316 0.000 2.480 659 L HA 0.368 4.708 4.340 -0.001 0.000 0.253 659 L C -2.354 174.622 176.870 0.178 0.000 1.324 659 L CA -1.595 53.406 54.840 0.270 0.000 0.916 659 L CB 1.518 43.819 42.059 0.402 0.000 1.160 659 L HN 0.589 nan 8.230 nan 0.000 0.503 660 P HA 0.160 nan 4.420 nan 0.000 0.271 660 P C -0.059 177.242 177.300 0.001 0.000 1.218 660 P CA -0.111 63.028 63.100 0.065 0.000 0.780 660 P CB 1.683 33.412 31.700 0.047 0.000 0.901 661 L N 1.125 122.360 121.223 0.020 0.000 3.366 661 L HA 0.286 4.625 4.340 -0.001 0.000 0.304 661 L C 1.446 178.388 176.870 0.121 0.000 1.292 661 L CA -0.090 54.740 54.840 -0.016 0.000 1.012 661 L CB 0.049 42.069 42.059 -0.065 0.000 1.414 661 L HN 0.729 nan 8.230 nan 0.000 0.603 662 G N 1.270 110.121 108.800 0.085 0.000 2.629 662 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.313 662 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.313 662 G C 0.618 175.572 174.900 0.090 0.000 1.217 662 G CA 0.801 45.964 45.100 0.105 0.000 0.994 662 G HN 0.479 nan 8.290 nan 0.000 0.549 663 Q N -0.525 119.307 119.800 0.053 0.000 2.435 663 Q HA 0.159 4.499 4.340 -0.001 0.000 0.207 663 Q C 0.998 176.829 176.000 -0.282 0.000 0.956 663 Q CA 0.420 56.152 55.803 -0.118 0.000 0.917 663 Q CB 0.233 28.812 28.738 -0.265 0.000 0.997 663 Q HN 0.528 nan 8.270 nan 0.000 0.497 664 Y N 4.070 124.174 120.300 -0.327 0.000 2.810 664 Y HA -0.067 4.482 4.550 -0.001 0.000 0.332 664 Y C -1.457 174.297 175.900 -0.242 0.000 1.243 664 Y CA -1.158 56.735 58.100 -0.344 0.000 1.537 664 Y CB 0.801 39.213 38.460 -0.080 0.000 1.265 664 Y HN 0.026 nan 8.280 nan 0.000 0.572 665 P HA 0.027 nan 4.420 nan 0.000 0.255 665 P C -0.723 176.436 177.300 -0.236 0.000 1.248 665 P CA 0.681 63.529 63.100 -0.421 0.000 0.807 665 P CB 0.621 31.978 31.700 -0.572 0.000 1.150 666 E N 1.042 121.145 120.200 -0.162 0.000 2.158 666 E HA 0.225 4.575 4.350 -0.001 0.000 0.271 666 E C -0.471 176.257 176.600 0.214 0.000 0.911 666 E CA -0.513 55.929 56.400 0.070 0.000 0.767 666 E CB 1.320 31.108 29.700 0.146 0.000 1.120 666 E HN 0.025 nan 8.360 nan 0.000 0.405 667 D N 1.287 121.771 120.400 0.139 0.000 2.382 667 D HA 0.081 4.721 4.640 -0.001 0.000 0.245 667 D C 0.181 176.553 176.300 0.120 0.000 1.120 667 D CA -0.240 53.845 54.000 0.142 0.000 0.890 667 D CB 1.108 41.978 40.800 0.116 0.000 1.201 667 D HN 0.033 nan 8.370 nan 0.000 0.433 668 V N 3.521 123.496 119.914 0.101 0.000 2.673 668 V HA -0.024 4.096 4.120 -0.001 0.000 0.303 668 V C 0.933 176.887 176.094 -0.233 0.000 1.046 668 V CA 0.169 62.433 62.300 -0.060 0.000 1.126 668 V CB 0.288 32.059 31.823 -0.087 0.000 0.934 668 V HN 0.295 nan 8.190 nan 0.000 0.487 669 K N 3.767 123.960 120.400 -0.345 0.000 2.123 669 K HA 0.671 4.991 4.320 -0.001 0.000 0.248 669 K C -1.041 175.154 176.600 -0.675 0.000 0.969 669 K CA -0.377 55.728 56.287 -0.303 0.000 0.882 669 K CB 1.843 34.287 32.500 -0.095 0.000 1.080 669 K HN 0.418 nan 8.250 nan 0.000 0.441 670 F N -1.008 118.954 119.950 0.020 0.000 2.603 670 F HA 0.654 5.181 4.527 -0.001 0.000 0.317 670 F C 0.530 176.335 175.800 0.007 0.000 1.066 670 F CA -0.619 57.385 58.000 0.006 0.000 0.941 670 F CB 2.688 41.691 39.000 0.005 0.000 1.291 670 F HN 0.636 nan 8.300 nan 0.000 0.472 671 G N 0.336 109.240 108.800 0.174 0.000 2.601 671 G HA2 0.405 4.364 3.960 -0.001 0.000 0.291 671 G HA3 0.405 4.364 3.960 -0.001 0.000 0.291 671 G C -2.203 172.750 174.900 0.087 0.000 1.456 671 G CA -0.847 44.317 45.100 0.106 0.000 0.804 671 G HN 0.367 nan 8.290 nan 0.000 0.499 672 D N 0.752 121.192 120.400 0.066 0.000 2.362 672 D HA 0.405 5.045 4.640 -0.001 0.000 0.242 672 D C -1.965 174.364 176.300 0.049 0.000 1.132 672 D CA -0.667 53.365 54.000 0.054 0.000 0.907 672 D CB 1.014 41.840 40.800 0.043 0.000 1.195 672 D HN 0.006 nan 8.370 nan 0.000 0.429 673 P HA 0.079 nan 4.420 nan 0.000 0.265 673 P C -0.504 176.824 177.300 0.046 0.000 1.187 673 P CA 0.420 63.549 63.100 0.047 0.000 0.766 673 P CB 0.440 32.170 31.700 0.050 0.000 0.820 674 R N 0.243 120.772 120.500 0.049 0.000 2.690 674 R HA 0.412 4.751 4.340 -0.001 0.000 0.269 674 R C -1.172 175.166 176.300 0.063 0.000 1.037 674 R CA -1.027 55.103 56.100 0.050 0.000 0.877 674 R CB 1.044 31.370 30.300 0.042 0.000 1.255 674 R HN 0.226 nan 8.270 nan 0.000 0.467 675 E N 1.529 121.768 120.200 0.065 0.000 2.398 675 E HA 0.270 4.620 4.350 -0.001 0.000 0.263 675 E C -0.054 176.600 176.600 0.090 0.000 1.046 675 E CA -0.046 56.404 56.400 0.084 0.000 0.908 675 E CB 0.885 30.622 29.700 0.062 0.000 0.963 675 E HN 0.447 nan 8.360 nan 0.000 0.431 676 I N -2.072 118.583 120.570 0.141 0.000 2.994 676 I HA 0.539 4.709 4.170 -0.001 0.000 0.306 676 I C -0.687 175.567 176.117 0.228 0.000 1.195 676 I CA -0.769 60.616 61.300 0.142 0.000 1.001 676 I CB 2.474 40.531 38.000 0.096 0.000 1.244 676 I HN 0.122 nan 8.210 nan 0.000 0.437 677 S N 3.781 119.588 115.700 0.177 0.000 2.548 677 S HA 0.843 5.312 4.470 -0.001 0.000 0.286 677 S C -0.828 173.882 174.600 0.183 0.000 1.098 677 S CA -0.641 57.678 58.200 0.200 0.000 0.930 677 S CB 1.765 65.037 63.200 0.121 0.000 1.070 677 S HN 0.536 nan 8.310 nan 0.000 0.480 678 L N 1.952 123.308 121.223 0.222 0.000 2.409 678 L HA 0.681 5.021 4.340 -0.001 0.000 0.262 678 L C -0.457 176.497 176.870 0.139 0.000 0.992 678 L CA -0.673 54.268 54.840 0.168 0.000 0.817 678 L CB 2.295 44.465 42.059 0.183 0.000 1.350 678 L HN 0.511 nan 8.230 nan 0.000 0.411 679 R N 1.594 122.154 120.500 0.100 0.000 2.533 679 R HA 0.683 5.023 4.340 -0.001 0.000 0.288 679 R C -1.957 174.384 176.300 0.068 0.000 1.039 679 R CA -0.497 55.650 56.100 0.078 0.000 0.909 679 R CB 2.205 32.542 30.300 0.061 0.000 1.195 679 R HN 0.408 nan 8.270 nan 0.000 0.438 680 V N 4.832 124.784 119.914 0.064 0.000 2.427 680 V HA 0.557 4.676 4.120 -0.001 0.000 0.286 680 V C 1.113 177.234 176.094 0.045 0.000 1.034 680 V CA 0.655 62.989 62.300 0.056 0.000 0.893 680 V CB 1.042 32.900 31.823 0.059 0.000 0.982 680 V HN 1.120 nan 8.190 nan 0.000 0.452 681 G N 5.202 114.028 108.800 0.042 0.000 2.611 681 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.301 681 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.301 681 G C 0.587 175.504 174.900 0.029 0.000 1.233 681 G CA 0.652 45.774 45.100 0.036 0.000 0.993 681 G HN 0.676 nan 8.290 nan 0.000 0.553 682 N N 2.355 121.069 118.700 0.023 0.000 2.336 682 N HA 0.222 4.962 4.740 -0.001 0.000 0.189 682 N C 1.303 176.819 175.510 0.011 0.000 1.113 682 N CA 1.152 54.211 53.050 0.015 0.000 0.858 682 N CB 0.140 38.633 38.487 0.011 0.000 0.970 682 N HN 0.817 nan 8.380 nan 0.000 0.471 683 G N 1.502 110.312 108.800 0.017 0.000 2.494 683 G HA2 0.256 4.215 3.960 -0.001 0.000 0.270 683 G HA3 0.256 4.215 3.960 -0.001 0.000 0.270 683 G C -2.395 172.508 174.900 0.006 0.000 1.423 683 G CA -0.670 44.438 45.100 0.012 0.000 1.055 683 G HN 0.001 nan 8.290 nan 0.000 0.536 684 P HA 0.213 nan 4.420 nan 0.000 0.274 684 P C -0.551 176.754 177.300 0.008 0.000 1.237 684 P CA 0.050 63.143 63.100 -0.011 0.000 0.793 684 P CB 0.863 32.552 31.700 -0.018 0.000 0.977 685 T N 2.653 117.203 114.554 -0.006 0.000 2.749 685 T HA 0.439 4.788 4.350 -0.001 0.000 0.287 685 T C 0.067 174.777 174.700 0.018 0.000 0.970 685 T CA -0.371 61.748 62.100 0.031 0.000 0.980 685 T CB 0.092 68.987 68.868 0.044 0.000 0.924 685 T HN 0.172 nan 8.240 nan 0.000 0.456 686 L N 2.730 123.975 121.223 0.038 0.000 2.307 686 L HA 0.767 5.107 4.340 -0.001 0.000 0.284 686 L C 0.230 177.019 176.870 -0.134 0.000 1.023 686 L CA -1.140 53.641 54.840 -0.098 0.000 0.810 686 L CB 1.472 43.472 42.059 -0.099 0.000 1.231 686 L HN 0.643 nan 8.230 nan 0.000 0.423 687 A N 3.245 125.887 122.820 -0.297 0.000 2.337 687 A HA 0.865 5.184 4.320 -0.001 0.000 0.329 687 A C -1.192 176.093 177.584 -0.498 0.000 1.146 687 A CA -0.314 51.602 52.037 -0.201 0.000 0.800 687 A CB 0.845 19.785 19.000 -0.100 0.000 1.220 687 A HN 0.504 nan 8.150 nan 0.000 0.472 688 F N 0.810 120.760 119.950 0.000 0.000 2.546 688 F HA 0.531 5.058 4.527 -0.001 0.000 0.320 688 F C 1.093 176.901 175.800 0.013 0.000 1.076 688 F CA -0.290 57.718 58.000 0.013 0.000 0.928 688 F CB 2.184 41.208 39.000 0.041 0.000 1.189 688 F HN 0.680 nan 8.300 nan 0.000 0.465 689 S N 0.131 115.942 115.700 0.185 0.000 2.617 689 S HA 0.105 4.574 4.470 -0.001 0.000 0.259 689 S C 1.031 175.721 174.600 0.150 0.000 1.301 689 S CA -0.081 58.201 58.200 0.137 0.000 0.984 689 S CB 0.677 63.956 63.200 0.131 0.000 0.954 689 S HN 0.842 nan 8.310 nan 0.000 0.572 690 E N -0.169 120.096 120.200 0.108 0.000 2.409 690 E HA -0.200 4.149 4.350 -0.001 0.000 0.198 690 E C 1.294 177.948 176.600 0.090 0.000 1.024 690 E CA 0.988 57.442 56.400 0.090 0.000 0.861 690 E CB -0.433 29.309 29.700 0.070 0.000 0.788 690 E HN 0.763 nan 8.360 nan 0.000 0.521 691 Q N 0.020 119.883 119.800 0.106 0.000 2.320 691 Q HA 0.202 4.542 4.340 -0.001 0.000 0.201 691 Q C 0.844 176.918 176.000 0.122 0.000 0.910 691 Q CA 0.475 56.338 55.803 0.100 0.000 0.946 691 Q CB 0.946 29.741 28.738 0.096 0.000 1.062 691 Q HN 0.494 nan 8.270 nan 0.000 0.503 692 G N 0.303 109.197 108.800 0.155 0.000 2.143 692 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.249 692 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.249 692 G C -0.275 174.833 174.900 0.346 0.000 0.981 692 G CA -0.219 44.982 45.100 0.168 0.000 0.665 692 G HN 0.259 nan 8.290 nan 0.000 0.528 693 L N 0.018 121.465 121.223 0.374 0.000 2.317 693 L HA 0.683 5.022 4.340 -0.001 0.000 0.281 693 L C 0.797 177.878 176.870 0.351 0.000 1.024 693 L CA -1.379 53.717 54.840 0.427 0.000 0.810 693 L CB 1.589 43.816 42.059 0.281 0.000 1.240 693 L HN 0.133 nan 8.230 nan 0.000 0.427 694 L N 3.482 124.897 121.223 0.320 0.000 2.559 694 L HA -0.052 4.287 4.340 -0.001 0.000 0.282 694 L C 1.065 177.749 176.870 -0.311 0.000 1.232 694 L CA 0.950 55.674 54.840 -0.193 0.000 0.885 694 L CB 0.168 42.199 42.059 -0.047 0.000 1.131 694 L HN 0.809 nan 8.230 nan 0.000 0.498 695 K N 1.232 121.315 120.400 -0.529 0.000 2.511 695 K HA 0.314 4.633 4.320 -0.001 0.000 0.209 695 K C -0.137 176.046 176.600 -0.696 0.000 1.301 695 K CA 0.329 56.060 56.287 -0.925 0.000 0.967 695 K CB 0.455 32.555 32.500 -0.667 0.000 1.109 695 K HN 0.609 nan 8.250 nan 0.000 0.561 696 S N 0.356 115.806 115.700 -0.417 0.000 2.567 696 S HA 0.593 5.063 4.470 -0.001 0.000 0.270 696 S C -1.129 173.358 174.600 -0.187 0.000 1.152 696 S CA -0.998 57.062 58.200 -0.233 0.000 0.835 696 S CB 1.327 64.475 63.200 -0.086 0.000 1.115 696 S HN 0.176 nan 8.310 nan 0.000 0.459 697 I N 1.372 121.865 120.570 -0.128 0.000 2.499 697 I HA 0.446 4.615 4.170 -0.001 0.000 0.288 697 I C -0.625 175.425 176.117 -0.112 0.000 1.048 697 I CA -0.365 60.867 61.300 -0.114 0.000 1.062 697 I CB 2.135 40.065 38.000 -0.116 0.000 1.238 697 I HN 0.741 nan 8.210 nan 0.000 0.426 698 Q N 6.156 125.874 119.800 -0.137 0.000 2.368 698 Q HA 0.417 4.756 4.340 -0.001 0.000 0.263 698 Q C 0.030 175.939 176.000 -0.151 0.000 1.009 698 Q CA -0.534 55.125 55.803 -0.239 0.000 0.818 698 Q CB 1.684 30.122 28.738 -0.500 0.000 1.239 698 Q HN 0.782 nan 8.270 nan 0.000 0.464 699 L N 2.124 123.273 121.223 -0.123 0.000 2.093 699 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 699 L C 1.132 177.960 176.870 -0.070 0.000 1.085 699 L CA 1.322 56.113 54.840 -0.082 0.000 0.755 699 L CB -0.299 41.717 42.059 -0.072 0.000 0.904 699 L HN 0.699 nan 8.230 nan 0.000 0.435 700 T N -6.901 107.603 114.554 -0.083 0.000 2.778 700 T HA 0.199 4.549 4.350 -0.001 0.000 0.293 700 T C 0.492 175.149 174.700 -0.071 0.000 1.144 700 T CA -0.842 61.221 62.100 -0.061 0.000 1.010 700 T CB 1.650 70.490 68.868 -0.046 0.000 1.325 700 T HN -0.160 nan 8.240 nan 0.000 0.515 701 Q N 0.906 120.680 119.800 -0.043 0.000 2.112 701 Q HA -0.153 4.187 4.340 -0.001 0.000 0.206 701 Q C 1.812 177.789 176.000 -0.037 0.000 0.987 701 Q CA 2.354 58.138 55.803 -0.031 0.000 0.858 701 Q CB -0.353 28.379 28.738 -0.010 0.000 0.905 701 Q HN 0.908 nan 8.270 nan 0.000 0.420 702 D N -0.114 120.264 120.400 -0.037 0.000 2.323 702 D HA -0.056 4.584 4.640 -0.001 0.000 0.209 702 D C 0.749 177.020 176.300 -0.049 0.000 0.973 702 D CA 0.335 54.316 54.000 -0.032 0.000 0.874 702 D CB 0.016 40.803 40.800 -0.023 0.000 0.930 702 D HN 0.056 nan 8.370 nan 0.000 0.521 703 S N 0.433 116.083 115.700 -0.083 0.000 2.669 703 S HA 0.489 4.959 4.470 -0.001 0.000 0.270 703 S C -2.672 171.843 174.600 -0.141 0.000 1.225 703 S CA -1.260 56.883 58.200 -0.095 0.000 0.991 703 S CB 1.167 64.310 63.200 -0.095 0.000 0.987 703 S HN -0.168 nan 8.310 nan 0.000 0.552 704 P HA 0.149 nan 4.420 nan 0.000 0.269 704 P C -0.590 176.618 177.300 -0.153 0.000 1.209 704 P CA -0.030 63.029 63.100 -0.068 0.000 0.776 704 P CB 0.128 31.815 31.700 -0.022 0.000 0.876 705 H N 1.414 120.469 119.070 -0.026 0.000 3.004 705 H HA 0.123 4.679 4.556 -0.001 0.000 0.267 705 H C -0.116 175.180 175.328 -0.053 0.000 1.165 705 H CA -0.246 55.776 56.048 -0.044 0.000 1.450 705 H CB -0.001 29.738 29.762 -0.039 0.000 1.488 705 H HN 0.125 nan 8.280 nan 0.000 0.478 706 V N 7.073 126.974 119.914 -0.021 0.000 2.470 706 V HA 0.059 4.179 4.120 -0.001 0.000 0.276 706 V C -1.878 174.169 176.094 -0.079 0.000 1.040 706 V CA -1.582 60.691 62.300 -0.045 0.000 1.008 706 V CB 0.766 32.548 31.823 -0.068 0.000 0.990 706 V HN 0.557 nan 8.190 nan 0.000 0.477 707 P HA 0.167 nan 4.420 nan 0.000 0.265 707 P C -0.799 176.409 177.300 -0.152 0.000 1.222 707 P CA 0.262 63.281 63.100 -0.135 0.000 0.767 707 P CB 0.448 31.937 31.700 -0.351 0.000 0.801 708 V N 5.069 124.891 119.914 -0.153 0.000 2.509 708 V HA 0.232 4.352 4.120 -0.001 0.000 0.289 708 V C -0.711 175.218 176.094 -0.276 0.000 1.026 708 V CA -0.452 61.723 62.300 -0.209 0.000 0.872 708 V CB 1.100 32.771 31.823 -0.254 0.000 1.017 708 V HN 0.527 nan 8.190 nan 0.000 0.436 709 H N 3.897 122.803 119.070 -0.274 0.000 2.489 709 H HA 0.656 5.211 4.556 -0.001 0.000 0.343 709 H C -0.828 174.363 175.328 -0.229 0.000 1.086 709 H CA -0.426 55.504 56.048 -0.197 0.000 1.198 709 H CB 1.495 31.184 29.762 -0.121 0.000 1.490 709 H HN 0.472 nan 8.280 nan 0.000 0.504 710 F N 2.319 122.252 119.950 -0.028 0.000 2.384 710 F HA 0.377 4.904 4.527 -0.001 0.000 0.338 710 F C 0.393 176.109 175.800 -0.140 0.000 1.103 710 F CA -0.207 57.713 58.000 -0.133 0.000 1.157 710 F CB 0.987 39.901 39.000 -0.144 0.000 1.167 710 F HN 0.319 nan 8.300 nan 0.000 0.529 711 K N 3.303 123.686 120.400 -0.028 0.000 2.525 711 K HA 0.490 4.809 4.320 -0.001 0.000 0.254 711 K C -1.950 174.478 176.600 -0.285 0.000 0.934 711 K CA -0.547 55.701 56.287 -0.065 0.000 0.802 711 K CB 1.274 33.762 32.500 -0.019 0.000 1.295 711 K HN 0.397 nan 8.250 nan 0.000 0.433 712 F N 4.049 123.977 119.950 -0.037 0.000 2.421 712 F HA 0.499 5.026 4.527 -0.001 0.000 0.337 712 F C -0.313 175.465 175.800 -0.038 0.000 1.105 712 F CA -0.542 57.430 58.000 -0.047 0.000 1.049 712 F CB 1.155 40.106 39.000 -0.082 0.000 1.139 712 F HN 0.251 nan 8.300 nan 0.000 0.479 713 L N 2.565 123.844 121.223 0.092 0.000 2.341 713 L HA 0.621 4.960 4.340 -0.001 0.000 0.254 713 L C -1.149 175.721 176.870 0.000 0.000 1.040 713 L CA -1.023 53.817 54.840 0.001 0.000 0.837 713 L CB 2.331 44.325 42.059 -0.108 0.000 1.425 713 L HN 0.499 nan 8.230 nan 0.000 0.414 714 K N -0.413 119.947 120.400 -0.066 0.000 2.378 714 K HA 0.669 4.988 4.320 -0.001 0.000 0.252 714 K C -1.784 174.752 176.600 -0.106 0.000 0.931 714 K CA -0.797 55.480 56.287 -0.018 0.000 0.794 714 K CB 1.722 34.241 32.500 0.033 0.000 1.181 714 K HN 0.253 nan 8.250 nan 0.000 0.425 715 Y N 0.616 120.981 120.300 0.108 0.000 2.387 715 Y HA 0.522 5.071 4.550 -0.001 0.000 0.330 715 Y C 0.990 176.949 175.900 0.098 0.000 1.133 715 Y CA 0.030 58.205 58.100 0.124 0.000 1.152 715 Y CB 2.179 40.784 38.460 0.242 0.000 1.215 715 Y HN 0.925 nan 8.280 nan 0.000 0.466 716 G N 0.548 109.493 108.800 0.240 0.000 2.971 716 G HA2 0.640 4.599 3.960 -0.001 0.000 0.235 716 G HA3 0.640 4.599 3.960 -0.001 0.000 0.235 716 G C -1.415 173.556 174.900 0.118 0.000 1.351 716 G CA -0.725 44.459 45.100 0.141 0.000 1.039 716 G HN 0.441 nan 8.290 nan 0.000 0.563 717 V N -0.300 119.649 119.914 0.058 0.000 2.864 717 V HA 0.477 4.596 4.120 -0.001 0.000 0.314 717 V C -0.063 176.013 176.094 -0.031 0.000 1.073 717 V CA -0.888 61.424 62.300 0.021 0.000 0.956 717 V CB 2.005 33.844 31.823 0.028 0.000 1.023 717 V HN 0.678 nan 8.190 nan 0.000 0.435 718 R N 1.165 121.622 120.500 -0.071 0.000 2.491 718 R HA 0.198 4.538 4.340 -0.001 0.000 0.283 718 R C 1.153 177.346 176.300 -0.178 0.000 1.072 718 R CA 0.423 56.430 56.100 -0.156 0.000 1.048 718 R CB 0.611 30.808 30.300 -0.172 0.000 0.983 718 R HN 0.908 nan 8.270 nan 0.000 0.450 719 S N 1.173 116.703 115.700 -0.284 0.000 2.558 719 S HA -0.024 4.445 4.470 -0.001 0.000 0.217 719 S C 0.065 174.581 174.600 -0.140 0.000 0.975 719 S CA 0.030 58.124 58.200 -0.176 0.000 0.912 719 S CB -0.323 62.822 63.200 -0.092 0.000 0.776 719 S HN 0.814 nan 8.310 nan 0.000 0.526 720 H N -2.473 116.600 119.070 0.005 0.000 3.016 720 H HA 0.758 5.313 4.556 -0.001 0.000 0.362 720 H C 0.357 175.685 175.328 -0.001 0.000 1.233 720 H CA -0.605 55.445 56.048 0.002 0.000 1.124 720 H CB 0.796 30.559 29.762 0.002 0.000 1.850 720 H HN 0.425 nan 8.280 nan 0.000 0.549 721 G N 0.627 109.508 108.800 0.134 0.000 2.660 721 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.215 721 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.215 721 G C -1.208 173.703 174.900 0.019 0.000 1.345 721 G CA -0.340 44.807 45.100 0.079 0.000 0.877 721 G HN 0.878 nan 8.290 nan 0.000 0.549 722 D N 1.275 121.679 120.400 0.006 0.000 2.424 722 D HA 0.414 5.054 4.640 -0.001 0.000 0.244 722 D C 1.072 177.359 176.300 -0.022 0.000 1.134 722 D CA 0.454 54.449 54.000 -0.010 0.000 0.881 722 D CB 0.534 41.326 40.800 -0.013 0.000 1.191 722 D HN 0.516 nan 8.370 nan 0.000 0.445 723 R N 1.091 121.581 120.500 -0.017 0.000 2.428 723 R HA 0.341 4.680 4.340 -0.001 0.000 0.294 723 R C 0.205 176.503 176.300 -0.005 0.000 1.000 723 R CA -0.658 55.435 56.100 -0.012 0.000 0.960 723 R CB 1.213 31.512 30.300 -0.001 0.000 1.076 723 R HN 0.302 nan 8.270 nan 0.000 0.475 724 S N 0.458 116.164 115.700 0.011 0.000 2.563 724 S HA 0.313 4.783 4.470 -0.001 0.000 0.284 724 S C 0.409 175.031 174.600 0.036 0.000 1.331 724 S CA 0.045 58.268 58.200 0.039 0.000 1.047 724 S CB 1.185 64.439 63.200 0.090 0.000 0.859 724 S HN 0.780 nan 8.310 nan 0.000 0.514 725 G N -0.104 108.717 108.800 0.035 0.000 2.815 725 G HA2 0.587 4.547 3.960 -0.001 0.000 0.305 725 G HA3 0.587 4.547 3.960 -0.001 0.000 0.305 725 G C 0.552 175.463 174.900 0.017 0.000 1.277 725 G CA -0.120 45.002 45.100 0.038 0.000 0.795 725 G HN 0.709 nan 8.290 nan 0.000 0.528 726 A N -1.224 121.581 122.820 -0.025 0.000 1.978 726 A HA 0.034 4.354 4.320 -0.001 0.000 0.220 726 A C 1.935 179.397 177.584 -0.204 0.000 1.170 726 A CA 2.145 54.099 52.037 -0.138 0.000 0.636 726 A CB -0.681 18.156 19.000 -0.273 0.000 0.810 726 A HN 0.608 nan 8.150 nan 0.000 0.448 727 Y N -0.774 119.471 120.300 -0.091 0.000 2.301 727 Y HA 0.326 4.876 4.550 -0.001 0.000 0.295 727 Y C 0.888 176.693 175.900 -0.159 0.000 1.126 727 Y CA 0.094 58.073 58.100 -0.201 0.000 1.154 727 Y CB -0.169 37.820 38.460 -0.785 0.000 1.075 727 Y HN 0.035 nan 8.280 nan 0.000 0.534 728 L N 0.409 121.604 121.223 -0.046 0.000 2.307 728 L HA 0.234 4.574 4.340 -0.001 0.000 0.282 728 L C -1.144 175.784 176.870 0.097 0.000 1.051 728 L CA -0.622 54.196 54.840 -0.036 0.000 0.804 728 L CB 1.014 42.999 42.059 -0.123 0.000 1.197 728 L HN 0.011 nan 8.230 nan 0.000 0.431 729 F N 4.850 124.749 119.950 -0.084 0.000 2.375 729 F HA 0.498 5.024 4.527 -0.001 0.000 0.361 729 F C -0.770 174.958 175.800 -0.121 0.000 1.117 729 F CA -1.135 56.776 58.000 -0.149 0.000 1.037 729 F CB 0.692 39.537 39.000 -0.258 0.000 1.192 729 F HN 0.218 nan 8.300 nan 0.000 0.452 730 L N 9.143 130.272 121.223 -0.157 0.000 2.529 730 L HA 0.325 4.665 4.340 -0.001 0.000 0.246 730 L C -2.332 174.368 176.870 -0.283 0.000 1.394 730 L CA -1.742 52.953 54.840 -0.240 0.000 0.906 730 L CB 0.998 43.004 42.059 -0.088 0.000 1.170 730 L HN 0.398 nan 8.230 nan 0.000 0.501 731 P HA 0.015 nan 4.420 nan 0.000 0.269 731 P C -0.490 176.726 177.300 -0.140 0.000 1.215 731 P CA -0.227 62.688 63.100 -0.308 0.000 0.780 731 P CB 0.577 31.957 31.700 -0.533 0.000 0.898 732 N N 1.115 119.801 118.700 -0.024 0.000 3.250 732 N HA 0.274 5.014 4.740 -0.001 0.000 0.307 732 N C 0.708 176.225 175.510 0.011 0.000 1.355 732 N CA -0.138 52.897 53.050 -0.025 0.000 1.192 732 N CB -0.835 37.639 38.487 -0.021 0.000 1.478 732 N HN 0.754 nan 8.380 nan 0.000 0.543 733 G N 0.734 109.539 108.800 0.007 0.000 2.710 733 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.668 733 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.668 733 G C -3.022 171.948 174.900 0.116 0.000 1.320 733 G CA -1.131 43.990 45.100 0.036 0.000 0.860 733 G HN 0.367 nan 8.290 nan 0.000 0.538 734 P HA 0.442 nan 4.420 nan 0.000 0.268 734 P C 0.547 177.806 177.300 -0.069 0.000 1.208 734 P CA 0.714 63.871 63.100 0.095 0.000 0.777 734 P CB 0.415 32.138 31.700 0.038 0.000 0.875 735 A N 2.216 124.806 122.820 -0.384 0.000 2.425 735 A HA 0.360 4.679 4.320 -0.001 0.000 0.242 735 A C 0.186 177.618 177.584 -0.252 0.000 1.077 735 A CA 0.348 52.016 52.037 -0.617 0.000 0.781 735 A CB -0.227 18.136 19.000 -1.061 0.000 1.020 735 A HN 0.479 nan 8.150 nan 0.000 0.494 736 S N 2.372 117.963 115.700 -0.182 0.000 2.509 736 S HA 0.576 5.046 4.470 -0.001 0.000 0.297 736 S C -2.693 171.868 174.600 -0.066 0.000 1.118 736 S CA -1.016 57.132 58.200 -0.087 0.000 1.074 736 S CB 1.317 64.487 63.200 -0.048 0.000 1.038 736 S HN 0.563 nan 8.310 nan 0.000 0.498 737 P HA 0.100 nan 4.420 nan 0.000 0.268 737 P C -0.720 176.586 177.300 0.010 0.000 1.205 737 P CA -0.300 62.796 63.100 -0.007 0.000 0.771 737 P CB 0.317 32.018 31.700 0.002 0.000 0.858 738 V N 3.914 123.850 119.914 0.037 0.000 2.585 738 V HA -0.028 4.091 4.120 -0.001 0.000 0.296 738 V C 0.942 177.051 176.094 0.026 0.000 1.035 738 V CA 0.260 62.580 62.300 0.034 0.000 1.084 738 V CB -0.195 31.660 31.823 0.053 0.000 0.953 738 V HN 0.522 nan 8.190 nan 0.000 0.483 739 E N 4.632 124.840 120.200 0.014 0.000 2.217 739 E HA 0.143 4.492 4.350 -0.001 0.000 0.279 739 E C 0.460 177.064 176.600 0.008 0.000 1.068 739 E CA -0.178 56.230 56.400 0.013 0.000 0.882 739 E CB 0.840 30.546 29.700 0.010 0.000 1.039 739 E HN 0.556 nan 8.360 nan 0.000 0.418 740 L N 2.685 123.916 121.223 0.014 0.000 2.446 740 L HA 0.109 4.449 4.340 -0.001 0.000 0.219 740 L C 1.343 178.218 176.870 0.010 0.000 1.116 740 L CA 0.455 55.299 54.840 0.007 0.000 0.844 740 L CB -0.591 41.482 42.059 0.023 0.000 0.970 740 L HN 0.854 nan 8.230 nan 0.000 0.457 741 G N 0.686 109.496 108.800 0.017 0.000 2.552 741 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.265 741 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.265 741 G C -0.044 174.874 174.900 0.029 0.000 1.234 741 G CA 0.044 45.157 45.100 0.022 0.000 0.944 741 G HN 0.325 nan 8.290 nan 0.000 0.568 742 Q N 1.632 121.452 119.800 0.034 0.000 2.571 742 Q HA 0.475 4.814 4.340 -0.001 0.000 0.243 742 Q C -2.046 173.984 176.000 0.050 0.000 1.055 742 Q CA -1.635 54.193 55.803 0.041 0.000 0.815 742 Q CB 1.110 29.872 28.738 0.040 0.000 1.151 742 Q HN 0.621 nan 8.270 nan 0.000 0.519 743 P HA 0.046 nan 4.420 nan 0.000 0.274 743 P C -0.506 176.850 177.300 0.094 0.000 1.231 743 P CA -0.278 62.859 63.100 0.063 0.000 0.790 743 P CB 1.119 32.837 31.700 0.030 0.000 0.951 744 V N 2.526 122.530 119.914 0.151 0.000 2.508 744 V HA 0.099 4.219 4.120 -0.001 0.000 0.281 744 V C 0.542 176.773 176.094 0.228 0.000 1.041 744 V CA -0.166 62.246 62.300 0.188 0.000 1.016 744 V CB 1.137 33.114 31.823 0.256 0.000 0.984 744 V HN 0.267 nan 8.190 nan 0.000 0.478 745 V N 6.538 126.534 119.914 0.138 0.000 2.448 745 V HA 0.464 4.583 4.120 -0.001 0.000 0.295 745 V C -0.390 175.716 176.094 0.021 0.000 1.025 745 V CA -0.625 61.731 62.300 0.094 0.000 0.859 745 V CB 1.658 33.500 31.823 0.031 0.000 0.988 745 V HN 0.670 nan 8.190 nan 0.000 0.431 746 L N 6.804 128.031 121.223 0.007 0.000 2.305 746 L HA 0.725 5.065 4.340 -0.001 0.000 0.284 746 L C -0.614 176.135 176.870 -0.202 0.000 1.013 746 L CA 0.017 54.741 54.840 -0.193 0.000 0.819 746 L CB 1.737 43.592 42.059 -0.340 0.000 1.227 746 L HN 0.439 nan 8.230 nan 0.000 0.417 747 V N 4.063 123.848 119.914 -0.215 0.000 2.384 747 V HA 0.552 4.671 4.120 -0.001 0.000 0.287 747 V C 0.028 176.043 176.094 -0.133 0.000 1.020 747 V CA -0.398 61.797 62.300 -0.176 0.000 0.850 747 V CB 1.541 33.278 31.823 -0.145 0.000 0.987 747 V HN 0.840 nan 8.190 nan 0.000 0.436 748 T N 5.334 119.839 114.554 -0.081 0.000 2.779 748 T HA 0.435 4.785 4.350 -0.001 0.000 0.280 748 T C -0.397 174.323 174.700 0.033 0.000 0.987 748 T CA -0.567 61.540 62.100 0.012 0.000 0.966 748 T CB 1.142 70.055 68.868 0.074 0.000 0.933 748 T HN 0.661 nan 8.240 nan 0.000 0.442 749 K N 2.408 122.845 120.400 0.062 0.000 2.394 749 K HA 0.682 5.002 4.320 -0.001 0.000 0.260 749 K C -0.364 176.291 176.600 0.092 0.000 0.967 749 K CA -0.576 55.749 56.287 0.064 0.000 0.855 749 K CB 0.997 33.528 32.500 0.052 0.000 1.101 749 K HN 0.791 nan 8.250 nan 0.000 0.433 750 G N 2.232 111.083 108.800 0.086 0.000 2.680 750 G HA2 0.171 4.130 3.960 -0.001 0.000 0.290 750 G HA3 0.171 4.130 3.960 -0.001 0.000 0.290 750 G C -0.217 174.725 174.900 0.071 0.000 1.355 750 G CA -0.628 44.525 45.100 0.089 0.000 0.903 750 G HN 0.660 nan 8.290 nan 0.000 0.474 751 K N -0.300 120.139 120.400 0.064 0.000 2.097 751 K HA 0.109 4.428 4.320 -0.001 0.000 0.205 751 K C 1.751 178.385 176.600 0.057 0.000 1.050 751 K CA 1.090 57.411 56.287 0.056 0.000 0.938 751 K CB -0.157 32.373 32.500 0.050 0.000 0.718 751 K HN 0.427 nan 8.250 nan 0.000 0.442 752 L N -0.655 120.604 121.223 0.060 0.000 2.408 752 L HA 0.199 4.538 4.340 -0.001 0.000 0.215 752 L C 0.590 177.493 176.870 0.056 0.000 1.081 752 L CA 0.088 54.964 54.840 0.059 0.000 0.840 752 L CB 0.341 42.439 42.059 0.064 0.000 1.002 752 L HN 0.182 nan 8.230 nan 0.000 0.468 753 E N -0.383 119.855 120.200 0.063 0.000 2.335 753 E HA 0.413 4.762 4.350 -0.001 0.000 0.280 753 E C -1.489 175.152 176.600 0.068 0.000 0.918 753 E CA -0.241 56.197 56.400 0.062 0.000 0.765 753 E CB 2.190 31.926 29.700 0.060 0.000 1.218 753 E HN -0.133 nan 8.360 nan 0.000 0.425 754 S N 1.331 117.067 115.700 0.061 0.000 2.632 754 S HA 0.785 5.255 4.470 -0.001 0.000 0.289 754 S C -1.381 173.237 174.600 0.031 0.000 1.115 754 S CA -0.685 57.545 58.200 0.051 0.000 0.889 754 S CB 1.871 65.102 63.200 0.051 0.000 1.116 754 S HN 0.530 nan 8.310 nan 0.000 0.486 755 S N 0.491 116.184 115.700 -0.011 0.000 2.567 755 S HA 0.678 5.148 4.470 -0.001 0.000 0.270 755 S C -2.098 172.403 174.600 -0.165 0.000 1.152 755 S CA -0.559 57.607 58.200 -0.057 0.000 0.835 755 S CB 1.063 64.256 63.200 -0.011 0.000 1.115 755 S HN 0.477 nan 8.310 nan 0.000 0.459 756 V N 2.801 122.553 119.914 -0.269 0.000 2.444 756 V HA 0.726 4.845 4.120 -0.001 0.000 0.294 756 V C -0.424 175.531 176.094 -0.232 0.000 1.022 756 V CA -0.451 61.618 62.300 -0.385 0.000 0.850 756 V CB 1.539 32.815 31.823 -0.912 0.000 0.992 756 V HN 0.906 nan 8.190 nan 0.000 0.426 757 S N 3.195 118.816 115.700 -0.132 0.000 2.526 757 S HA 0.793 5.262 4.470 -0.001 0.000 0.293 757 S C -0.866 173.675 174.600 -0.099 0.000 1.092 757 S CA -0.622 57.512 58.200 -0.110 0.000 0.980 757 S CB 2.178 65.411 63.200 0.056 0.000 1.048 757 S HN 0.661 nan 8.310 nan 0.000 0.483 758 V N 1.927 121.668 119.914 -0.288 0.000 2.760 758 V HA 0.817 4.936 4.120 -0.001 0.000 0.309 758 V C -0.080 175.676 176.094 -0.564 0.000 1.077 758 V CA -0.426 61.722 62.300 -0.253 0.000 0.910 758 V CB 1.818 33.612 31.823 -0.048 0.000 1.008 758 V HN 0.996 nan 8.190 nan 0.000 0.424 759 G N 6.950 115.450 108.800 -0.500 0.000 2.663 759 G HA2 0.531 4.491 3.960 -0.001 0.000 0.320 759 G HA3 0.531 4.491 3.960 -0.001 0.000 0.320 759 G C -0.535 174.238 174.900 -0.212 0.000 0.937 759 G CA -0.337 44.499 45.100 -0.441 0.000 1.332 759 G HN 0.704 nan 8.290 nan 0.000 0.461 760 L N 2.659 123.716 121.223 -0.277 0.000 2.387 760 L HA 0.407 4.747 4.340 -0.001 0.000 0.266 760 L C -2.030 174.704 176.870 -0.225 0.000 1.059 760 L CA -2.347 52.354 54.840 -0.231 0.000 0.801 760 L CB 1.760 43.614 42.059 -0.342 0.000 1.223 760 L HN 0.199 nan 8.230 nan 0.000 0.456 761 P HA 0.086 nan 4.420 nan 0.000 0.267 761 P C 0.046 177.237 177.300 -0.182 0.000 1.209 761 P CA 0.340 63.343 63.100 -0.162 0.000 0.763 761 P CB 0.986 32.623 31.700 -0.104 0.000 0.816 762 S N -0.313 115.284 115.700 -0.172 0.000 2.981 762 S HA -0.118 4.352 4.470 -0.001 0.000 0.274 762 S C 0.219 174.705 174.600 -0.189 0.000 1.297 762 S CA 1.269 59.384 58.200 -0.142 0.000 1.266 762 S CB -1.602 61.546 63.200 -0.087 0.000 1.542 762 S HN 0.409 nan 8.310 nan 0.000 0.674 763 V N 1.199 120.940 119.914 -0.288 0.000 2.711 763 V HA 0.440 4.559 4.120 -0.001 0.000 0.304 763 V C -0.255 175.603 176.094 -0.394 0.000 1.097 763 V CA -0.813 61.277 62.300 -0.350 0.000 0.906 763 V CB 2.140 33.605 31.823 -0.596 0.000 1.015 763 V HN 0.100 nan 8.190 nan 0.000 0.427 764 V N 4.106 123.798 119.914 -0.371 0.000 2.368 764 V HA 0.341 4.460 4.120 -0.001 0.000 0.266 764 V C -0.201 175.674 176.094 -0.366 0.000 1.045 764 V CA -0.345 61.632 62.300 -0.538 0.000 0.899 764 V CB 0.839 32.224 31.823 -0.730 0.000 1.006 764 V HN 0.942 nan 8.190 nan 0.000 0.470 765 H N 4.463 123.270 119.070 -0.439 0.000 2.476 765 H HA 0.594 5.150 4.556 -0.001 0.000 0.328 765 H C -0.447 174.759 175.328 -0.203 0.000 1.073 765 H CA -0.255 55.637 56.048 -0.259 0.000 1.229 765 H CB 1.243 30.878 29.762 -0.213 0.000 1.432 765 H HN 0.675 nan 8.280 nan 0.000 0.477 766 Q N 4.137 123.624 119.800 -0.523 0.000 2.304 766 Q HA 0.366 4.705 4.340 -0.001 0.000 0.270 766 Q C -1.325 174.468 176.000 -0.345 0.000 1.035 766 Q CA -0.899 54.688 55.803 -0.360 0.000 0.781 766 Q CB 1.563 30.194 28.738 -0.179 0.000 1.261 766 Q HN 0.762 nan 8.270 nan 0.000 0.444 767 T N 5.054 119.479 114.554 -0.214 0.000 2.772 767 T HA 0.523 4.873 4.350 -0.001 0.000 0.288 767 T C -0.307 174.410 174.700 0.027 0.000 0.994 767 T CA -0.295 61.797 62.100 -0.014 0.000 0.951 767 T CB 0.273 69.295 68.868 0.256 0.000 0.933 767 T HN 0.463 nan 8.240 nan 0.000 0.447 768 I N 3.864 124.465 120.570 0.052 0.000 2.404 768 I HA 0.477 4.646 4.170 -0.001 0.000 0.293 768 I C -0.137 176.026 176.117 0.078 0.000 0.992 768 I CA -0.750 60.581 61.300 0.051 0.000 1.149 768 I CB 1.664 39.686 38.000 0.036 0.000 1.315 768 I HN 0.385 nan 8.210 nan 0.000 0.446 769 M N 6.024 125.670 119.600 0.077 0.000 2.243 769 M HA 0.498 4.978 4.480 -0.001 0.000 0.324 769 M C 0.144 176.481 176.300 0.061 0.000 1.031 769 M CA -0.400 54.949 55.300 0.081 0.000 0.949 769 M CB 2.216 34.876 32.600 0.101 0.000 1.615 769 M HN 0.503 nan 8.290 nan 0.000 0.430 770 R N 0.931 121.462 120.500 0.052 0.000 2.566 770 R HA 0.348 4.687 4.340 -0.001 0.000 0.388 770 R C 0.798 177.122 176.300 0.040 0.000 0.989 770 R CA 0.264 56.390 56.100 0.043 0.000 1.164 770 R CB 1.169 31.488 30.300 0.031 0.000 1.459 770 R HN 1.152 nan 8.270 nan 0.000 0.553 771 G N -0.425 108.400 108.800 0.042 0.000 2.255 771 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.196 771 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.196 771 G C 0.292 175.209 174.900 0.028 0.000 0.998 771 G CA -0.398 44.723 45.100 0.036 0.000 0.656 771 G HN 0.509 nan 8.290 nan 0.000 0.490 772 G N -0.044 108.773 108.800 0.029 0.000 3.252 772 G HA2 0.794 4.753 3.960 -0.001 0.000 0.181 772 G HA3 0.794 4.753 3.960 -0.001 0.000 0.181 772 G C 0.395 175.311 174.900 0.025 0.000 1.187 772 G CA 0.445 45.557 45.100 0.021 0.000 0.886 772 G HN 1.512 nan 8.290 nan 0.000 0.615 773 A N 1.463 124.296 122.820 0.022 0.000 2.540 773 A HA 0.527 4.846 4.320 -0.001 0.000 0.239 773 A C -1.676 175.941 177.584 0.054 0.000 1.061 773 A CA -0.488 51.567 52.037 0.030 0.000 0.758 773 A CB -0.414 18.602 19.000 0.026 0.000 0.991 773 A HN 0.407 nan 8.150 nan 0.000 0.502 774 P HA 0.118 nan 4.420 nan 0.000 0.272 774 P C -0.489 176.877 177.300 0.110 0.000 1.230 774 P CA -0.169 62.991 63.100 0.100 0.000 0.788 774 P CB 0.657 32.439 31.700 0.136 0.000 0.949 775 E N 1.186 121.447 120.200 0.103 0.000 2.179 775 E HA 0.389 4.738 4.350 -0.001 0.000 0.275 775 E C -0.810 175.861 176.600 0.117 0.000 0.945 775 E CA -0.741 55.723 56.400 0.107 0.000 0.792 775 E CB 0.599 30.339 29.700 0.066 0.000 1.125 775 E HN 0.207 nan 8.360 nan 0.000 0.397 776 I N 4.091 124.765 120.570 0.172 0.000 2.404 776 I HA 0.416 4.586 4.170 -0.001 0.000 0.293 776 I C 0.000 176.230 176.117 0.188 0.000 0.992 776 I CA -0.622 60.754 61.300 0.127 0.000 1.149 776 I CB 1.282 39.363 38.000 0.135 0.000 1.315 776 I HN 0.570 nan 8.210 nan 0.000 0.446 777 R N 4.565 125.102 120.500 0.061 0.000 2.561 777 R HA 0.502 4.841 4.340 -0.001 0.000 0.297 777 R C -0.953 175.391 176.300 0.073 0.000 0.969 777 R CA -0.849 55.306 56.100 0.091 0.000 0.879 777 R CB 2.067 32.379 30.300 0.020 0.000 1.178 777 R HN 0.469 nan 8.270 nan 0.000 0.445 778 N N 2.540 121.346 118.700 0.177 0.000 2.407 778 N HA 0.212 4.952 4.740 -0.001 0.000 0.277 778 N C -1.325 174.197 175.510 0.019 0.000 0.995 778 N CA -0.708 52.420 53.050 0.130 0.000 0.903 778 N CB 1.956 40.629 38.487 0.309 0.000 1.218 778 N HN 0.314 nan 8.380 nan 0.000 0.487 779 L N 3.646 124.820 121.223 -0.081 0.000 2.282 779 L HA 0.392 4.731 4.340 -0.001 0.000 0.287 779 L C -1.027 175.773 176.870 -0.117 0.000 1.075 779 L CA -0.502 54.273 54.840 -0.108 0.000 0.839 779 L CB 0.505 42.487 42.059 -0.128 0.000 1.219 779 L HN 0.217 nan 8.230 nan 0.000 0.434 780 V N 4.549 124.400 119.914 -0.105 0.000 2.350 780 V HA 0.377 4.496 4.120 -0.001 0.000 0.276 780 V C -0.441 175.620 176.094 -0.056 0.000 1.028 780 V CA -0.487 61.769 62.300 -0.073 0.000 0.860 780 V CB 1.265 33.074 31.823 -0.023 0.000 0.990 780 V HN 0.689 nan 8.190 nan 0.000 0.453 781 D N 4.036 124.405 120.400 -0.053 0.000 2.375 781 D HA 0.259 4.898 4.640 -0.001 0.000 0.259 781 D C 0.551 176.841 176.300 -0.015 0.000 1.235 781 D CA -0.414 53.570 54.000 -0.027 0.000 0.924 781 D CB 1.319 42.102 40.800 -0.028 0.000 1.143 781 D HN 0.468 nan 8.370 nan 0.000 0.529 782 I N 2.343 122.919 120.570 0.010 0.000 3.083 782 I HA 0.048 4.218 4.170 -0.001 0.000 0.273 782 I C 1.385 177.515 176.117 0.022 0.000 1.297 782 I CA 1.131 62.444 61.300 0.021 0.000 1.452 782 I CB -0.240 37.789 38.000 0.049 0.000 1.078 782 I HN 0.617 nan 8.210 nan 0.000 0.484 783 G N 0.809 109.622 108.800 0.023 0.000 2.611 783 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.301 783 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.301 783 G C 0.588 175.510 174.900 0.036 0.000 1.233 783 G CA 0.501 45.620 45.100 0.032 0.000 0.993 783 G HN 0.692 nan 8.290 nan 0.000 0.553 784 S N -0.068 115.655 115.700 0.038 0.000 2.583 784 S HA 0.531 5.000 4.470 -0.001 0.000 0.239 784 S C 0.821 175.443 174.600 0.037 0.000 0.966 784 S CA 0.064 58.286 58.200 0.038 0.000 0.973 784 S CB 0.056 63.279 63.200 0.038 0.000 0.794 784 S HN 0.681 nan 8.310 nan 0.000 0.463 785 L N 3.041 124.285 121.223 0.036 0.000 2.448 785 L HA 0.275 4.614 4.340 -0.001 0.000 0.278 785 L C -0.356 176.541 176.870 0.044 0.000 1.201 785 L CA -0.330 54.532 54.840 0.037 0.000 1.036 785 L CB -0.624 41.456 42.059 0.035 0.000 1.325 785 L HN 0.140 nan 8.230 nan 0.000 0.441 786 D N 2.669 123.094 120.400 0.041 0.000 2.382 786 D HA 0.005 4.644 4.640 -0.001 0.000 0.240 786 D C 0.696 177.025 176.300 0.048 0.000 1.146 786 D CA 0.185 54.211 54.000 0.043 0.000 0.897 786 D CB 0.352 41.174 40.800 0.037 0.000 1.197 786 D HN 0.304 nan 8.370 nan 0.000 0.432 787 N N 0.411 119.142 118.700 0.053 0.000 2.714 787 N HA -0.176 4.563 4.740 -0.001 0.000 0.253 787 N C -0.947 174.609 175.510 0.077 0.000 1.024 787 N CA 0.864 53.950 53.050 0.060 0.000 0.726 787 N CB -1.155 37.360 38.487 0.046 0.000 0.908 787 N HN 0.288 nan 8.380 nan 0.000 0.542 788 T N 0.401 115.006 114.554 0.085 0.000 2.916 788 T HA 0.411 4.760 4.350 -0.001 0.000 0.298 788 T C -0.298 174.476 174.700 0.122 0.000 1.031 788 T CA -0.730 61.432 62.100 0.104 0.000 0.993 788 T CB 2.323 71.239 68.868 0.080 0.000 1.045 788 T HN 0.030 nan 8.240 nan 0.000 0.454 789 E N 2.427 122.730 120.200 0.171 0.000 2.191 789 E HA 0.444 4.793 4.350 -0.001 0.000 0.263 789 E C -0.747 175.979 176.600 0.209 0.000 0.881 789 E CA -0.623 55.877 56.400 0.167 0.000 0.757 789 E CB 2.267 32.044 29.700 0.129 0.000 1.147 789 E HN 0.488 nan 8.360 nan 0.000 0.414 790 I N 2.881 123.558 120.570 0.178 0.000 2.331 790 I HA 0.220 4.389 4.170 -0.001 0.000 0.292 790 I C -0.223 176.037 176.117 0.239 0.000 0.998 790 I CA -0.752 60.666 61.300 0.197 0.000 1.267 790 I CB 1.370 39.477 38.000 0.178 0.000 1.386 790 I HN 0.200 nan 8.210 nan 0.000 0.476 791 V N 8.124 128.178 119.914 0.234 0.000 2.628 791 V HA 0.496 4.615 4.120 -0.001 0.000 0.306 791 V C -0.438 175.692 176.094 0.061 0.000 1.045 791 V CA -0.732 61.690 62.300 0.204 0.000 0.905 791 V CB 2.019 34.021 31.823 0.298 0.000 0.997 791 V HN 0.749 nan 8.190 nan 0.000 0.436 792 M N 7.254 126.818 119.600 -0.061 0.000 2.129 792 M HA 0.564 5.043 4.480 -0.001 0.000 0.348 792 M C -0.560 175.611 176.300 -0.214 0.000 1.116 792 M CA -0.427 54.613 55.300 -0.434 0.000 1.022 792 M CB 0.587 32.899 32.600 -0.481 0.000 1.599 792 M HN 0.752 nan 8.290 nan 0.000 0.449 793 R N 4.629 125.002 120.500 -0.213 0.000 2.711 793 R HA 0.698 5.038 4.340 -0.001 0.000 0.284 793 R C -1.927 174.323 176.300 -0.083 0.000 0.968 793 R CA -0.633 55.409 56.100 -0.098 0.000 0.924 793 R CB 1.504 31.758 30.300 -0.076 0.000 1.162 793 R HN 0.811 nan 8.270 nan 0.000 0.465 794 L N 3.272 124.419 121.223 -0.127 0.000 2.313 794 L HA 0.412 4.751 4.340 -0.001 0.000 0.283 794 L C -0.525 176.254 176.870 -0.151 0.000 1.013 794 L CA -0.384 54.309 54.840 -0.245 0.000 0.816 794 L CB 1.908 43.768 42.059 -0.332 0.000 1.236 794 L HN 0.607 nan 8.230 nan 0.000 0.419 795 E N 2.278 122.404 120.200 -0.124 0.000 2.145 795 E HA 0.468 4.817 4.350 -0.001 0.000 0.270 795 E C -0.561 175.990 176.600 -0.081 0.000 0.906 795 E CA -0.437 55.920 56.400 -0.072 0.000 0.761 795 E CB 2.042 31.706 29.700 -0.060 0.000 1.116 795 E HN 0.613 nan 8.360 nan 0.000 0.408 796 T N -1.005 113.517 114.554 -0.053 0.000 2.831 796 T HA 0.339 4.688 4.350 -0.001 0.000 0.287 796 T C 0.179 174.929 174.700 0.084 0.000 1.070 796 T CA -0.693 61.354 62.100 -0.087 0.000 1.010 796 T CB 1.070 69.897 68.868 -0.068 0.000 1.264 796 T HN 0.583 nan 8.240 nan 0.000 0.532 797 H N -0.693 118.369 119.070 -0.014 0.000 2.542 797 H HA 0.417 4.972 4.556 -0.001 0.000 0.283 797 H C 0.154 175.481 175.328 -0.003 0.000 1.059 797 H CA -0.611 55.430 56.048 -0.011 0.000 1.162 797 H CB 0.153 29.911 29.762 -0.008 0.000 1.539 797 H HN 0.322 nan 8.280 nan 0.000 0.543 798 I N 1.995 122.624 120.570 0.099 0.000 2.683 798 I HA -0.134 4.035 4.170 -0.001 0.000 0.286 798 I C 0.573 176.732 176.117 0.068 0.000 1.175 798 I CA 0.336 61.677 61.300 0.068 0.000 1.429 798 I CB 0.434 38.465 38.000 0.051 0.000 1.371 798 I HN 0.203 nan 8.210 nan 0.000 0.569 799 D N 4.808 125.244 120.400 0.060 0.000 2.713 799 D HA 0.031 4.670 4.640 -0.001 0.000 0.229 799 D C 1.213 177.550 176.300 0.063 0.000 1.136 799 D CA -0.060 53.971 54.000 0.052 0.000 1.010 799 D CB 0.347 41.171 40.800 0.039 0.000 1.084 799 D HN 0.549 nan 8.370 nan 0.000 0.495 800 S N 0.411 116.154 115.700 0.073 0.000 2.496 800 S HA 0.238 4.708 4.470 -0.001 0.000 0.224 800 S C 1.586 176.237 174.600 0.084 0.000 0.996 800 S CA 0.288 58.546 58.200 0.096 0.000 0.927 800 S CB -0.175 63.095 63.200 0.117 0.000 0.774 800 S HN 0.541 nan 8.310 nan 0.000 0.524 801 G N 3.199 112.037 108.800 0.063 0.000 2.565 801 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.295 801 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.295 801 G C 0.115 175.056 174.900 0.067 0.000 1.165 801 G CA 0.555 45.688 45.100 0.055 0.000 0.977 801 G HN 0.761 nan 8.290 nan 0.000 0.546 802 D N 0.203 120.647 120.400 0.074 0.000 2.424 802 D HA 0.357 4.996 4.640 -0.001 0.000 0.220 802 D C 0.660 177.041 176.300 0.135 0.000 1.150 802 D CA -0.200 53.861 54.000 0.103 0.000 0.831 802 D CB 0.265 41.111 40.800 0.075 0.000 0.981 802 D HN 0.434 nan 8.370 nan 0.000 0.500 803 I N 1.437 122.073 120.570 0.110 0.000 2.460 803 I HA 0.501 4.670 4.170 -0.001 0.000 0.298 803 I C -0.291 175.910 176.117 0.140 0.000 0.989 803 I CA -1.074 60.235 61.300 0.014 0.000 1.173 803 I CB 0.773 38.753 38.000 -0.034 0.000 1.338 803 I HN -0.032 nan 8.210 nan 0.000 0.456 804 F N 4.476 124.247 119.950 -0.299 0.000 2.745 804 F HA 0.692 5.218 4.527 -0.001 0.000 0.316 804 F C -2.048 173.397 175.800 -0.592 0.000 1.155 804 F CA -1.404 56.443 58.000 -0.254 0.000 0.937 804 F CB 1.208 40.133 39.000 -0.125 0.000 1.361 804 F HN 0.184 nan 8.300 nan 0.000 0.472 805 Y N 0.002 120.072 120.300 -0.383 0.000 2.442 805 Y HA 0.675 5.224 4.550 -0.001 0.000 0.344 805 Y C -0.015 175.711 175.900 -0.290 0.000 0.976 805 Y CA -0.739 57.001 58.100 -0.601 0.000 1.040 805 Y CB 2.443 40.123 38.460 -1.301 0.000 1.228 805 Y HN 0.891 nan 8.280 nan 0.000 0.451 806 T N -1.263 113.216 114.554 -0.124 0.000 2.906 806 T HA 0.474 4.824 4.350 -0.001 0.000 0.295 806 T C -1.038 173.486 174.700 -0.293 0.000 1.075 806 T CA -1.069 60.978 62.100 -0.088 0.000 1.005 806 T CB 1.996 70.791 68.868 -0.121 0.000 1.136 806 T HN 0.592 nan 8.240 nan 0.000 0.498 807 D N 1.343 121.420 120.400 -0.539 0.000 2.340 807 D HA 0.342 4.981 4.640 -0.001 0.000 0.251 807 D C -0.586 175.450 176.300 -0.439 0.000 1.080 807 D CA -0.790 52.701 54.000 -0.848 0.000 0.971 807 D CB 1.242 41.301 40.800 -1.234 0.000 1.137 807 D HN 0.557 nan 8.370 nan 0.000 0.475 808 L N 1.028 122.033 121.223 -0.363 0.000 2.316 808 L HA 0.212 4.551 4.340 -0.001 0.000 0.280 808 L C -0.121 176.631 176.870 -0.197 0.000 1.006 808 L CA -0.757 53.963 54.840 -0.201 0.000 0.836 808 L CB 0.384 42.388 42.059 -0.092 0.000 1.221 808 L HN 0.469 nan 8.230 nan 0.000 0.418 809 N N 2.057 120.645 118.700 -0.185 0.000 2.714 809 N HA -0.224 4.516 4.740 -0.001 0.000 0.250 809 N C 0.969 176.274 175.510 -0.340 0.000 1.117 809 N CA 0.892 53.831 53.050 -0.185 0.000 0.719 809 N CB -1.103 37.350 38.487 -0.056 0.000 1.081 809 N HN 1.067 nan 8.380 nan 0.000 0.557 810 G N -1.549 107.057 108.800 -0.322 0.000 2.155 810 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.257 810 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.257 810 G C 0.623 175.506 174.900 -0.029 0.000 0.983 810 G CA 0.677 45.621 45.100 -0.260 0.000 0.676 810 G HN 0.480 nan 8.290 nan 0.000 0.528 811 L N -0.301 120.842 121.223 -0.133 0.000 2.500 811 L HA 0.495 4.834 4.340 -0.001 0.000 0.219 811 L C 0.992 177.748 176.870 -0.190 0.000 1.057 811 L CA 1.944 56.621 54.840 -0.271 0.000 0.854 811 L CB 0.155 41.900 42.059 -0.523 0.000 1.078 811 L HN 0.710 nan 8.230 nan 0.000 0.480 812 Q N -1.859 117.832 119.800 -0.182 0.000 2.472 812 Q HA 0.341 4.681 4.340 -0.001 0.000 0.281 812 Q C -1.673 174.213 176.000 -0.190 0.000 0.997 812 Q CA -0.736 55.023 55.803 -0.074 0.000 0.828 812 Q CB 1.016 29.768 28.738 0.024 0.000 1.443 812 Q HN -0.052 nan 8.270 nan 0.000 0.390 813 F N 1.366 121.276 119.950 -0.067 0.000 2.436 813 F HA 0.594 5.120 4.527 -0.001 0.000 0.340 813 F C -0.117 175.645 175.800 -0.064 0.000 1.113 813 F CA -0.813 57.156 58.000 -0.051 0.000 1.022 813 F CB 1.603 40.617 39.000 0.022 0.000 1.128 813 F HN 0.532 nan 8.300 nan 0.000 0.466 814 I N 3.778 124.347 120.570 -0.001 0.000 2.530 814 I HA 0.335 4.505 4.170 -0.001 0.000 0.297 814 I C -0.497 175.484 176.117 -0.227 0.000 1.011 814 I CA -0.887 60.365 61.300 -0.080 0.000 1.107 814 I CB 1.293 39.199 38.000 -0.156 0.000 1.285 814 I HN 0.504 nan 8.210 nan 0.000 0.436 815 K N 6.700 126.927 120.400 -0.289 0.000 2.368 815 K HA 0.274 4.594 4.320 -0.001 0.000 0.282 815 K C -0.869 175.290 176.600 -0.734 0.000 1.035 815 K CA -0.383 55.466 56.287 -0.731 0.000 0.973 815 K CB 0.520 32.728 32.500 -0.487 0.000 0.957 815 K HN 0.502 nan 8.250 nan 0.000 0.474 816 R N 3.281 123.165 120.500 -1.027 0.000 2.664 816 R HA 0.350 4.690 4.340 -0.001 0.000 0.286 816 R C -0.524 175.287 176.300 -0.814 0.000 0.967 816 R CA -0.790 54.644 56.100 -1.111 0.000 0.933 816 R CB 1.554 30.650 30.300 -2.007 0.000 1.146 816 R HN 0.667 nan 8.270 nan 0.000 0.468 817 R N 1.552 121.791 120.500 -0.435 0.000 2.476 817 R HA 0.289 4.628 4.340 -0.001 0.000 0.305 817 R C -0.488 175.857 176.300 0.075 0.000 0.965 817 R CA -0.681 55.333 56.100 -0.143 0.000 0.867 817 R CB 1.534 31.789 30.300 -0.076 0.000 1.176 817 R HN 0.558 nan 8.270 nan 0.000 0.447 818 R N 5.048 125.696 120.500 0.246 0.000 2.489 818 R HA 0.117 4.456 4.340 -0.001 0.000 0.287 818 R C -0.988 175.398 176.300 0.144 0.000 1.053 818 R CA 0.169 56.446 56.100 0.296 0.000 1.036 818 R CB 0.398 30.858 30.300 0.266 0.000 0.966 818 R HN 0.541 nan 8.270 nan 0.000 0.432 819 L N 5.153 126.439 121.223 0.105 0.000 2.316 819 L HA 0.223 4.562 4.340 -0.001 0.000 0.280 819 L C 0.169 177.033 176.870 -0.009 0.000 1.006 819 L CA -0.685 54.173 54.840 0.031 0.000 0.836 819 L CB 1.935 43.985 42.059 -0.014 0.000 1.221 819 L HN 0.683 nan 8.230 nan 0.000 0.418 820 D N 1.698 122.100 120.400 0.003 0.000 2.348 820 D HA -0.115 4.524 4.640 -0.001 0.000 0.216 820 D C 1.685 177.968 176.300 -0.027 0.000 0.970 820 D CA 0.754 54.749 54.000 -0.008 0.000 0.889 820 D CB 0.353 41.157 40.800 0.007 0.000 0.912 820 D HN 0.564 nan 8.370 nan 0.000 0.524 821 K N 0.231 120.607 120.400 -0.039 0.000 2.486 821 K HA 0.019 4.338 4.320 -0.001 0.000 0.194 821 K C 0.692 177.232 176.600 -0.100 0.000 1.033 821 K CA 0.334 56.595 56.287 -0.043 0.000 1.004 821 K CB 0.349 32.839 32.500 -0.017 0.000 0.798 821 K HN 0.099 nan 8.250 nan 0.000 0.495 822 L N 2.352 123.477 121.223 -0.162 0.000 2.330 822 L HA 0.462 4.802 4.340 -0.001 0.000 0.271 822 L C -2.221 174.540 176.870 -0.181 0.000 1.013 822 L CA -2.896 51.802 54.840 -0.236 0.000 0.816 822 L CB 1.466 43.286 42.059 -0.397 0.000 1.287 822 L HN -0.037 nan 8.230 nan 0.000 0.435 823 P HA 0.029 nan 4.420 nan 0.000 0.272 823 P C 0.845 178.018 177.300 -0.212 0.000 1.240 823 P CA -0.403 62.599 63.100 -0.163 0.000 0.791 823 P CB 1.281 32.912 31.700 -0.116 0.000 0.978 824 L N 0.836 121.964 121.223 -0.159 0.000 2.021 824 L HA -0.277 4.062 4.340 -0.001 0.000 0.215 824 L C 2.538 179.316 176.870 -0.153 0.000 1.074 824 L CA 1.933 56.703 54.840 -0.118 0.000 0.760 824 L CB -0.655 41.330 42.059 -0.122 0.000 0.889 824 L HN 0.429 nan 8.230 nan 0.000 0.433 825 Q N -0.245 119.357 119.800 -0.329 0.000 2.291 825 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 825 Q C 1.874 177.771 176.000 -0.172 0.000 0.976 825 Q CA 1.552 57.197 55.803 -0.262 0.000 0.875 825 Q CB -0.555 27.966 28.738 -0.361 0.000 0.927 825 Q HN 0.609 nan 8.270 nan 0.000 0.450 826 A N 1.404 123.898 122.820 -0.543 0.000 2.119 826 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 826 A C 1.634 179.028 177.584 -0.317 0.000 1.152 826 A CA 0.746 52.307 52.037 -0.793 0.000 0.708 826 A CB -0.188 17.950 19.000 -1.436 0.000 0.805 826 A HN 0.346 nan 8.150 nan 0.000 0.460 827 N N -1.168 117.462 118.700 -0.117 0.000 2.398 827 N HA 0.050 4.790 4.740 -0.001 0.000 0.188 827 N C -0.820 174.786 175.510 0.159 0.000 1.122 827 N CA 0.192 53.290 53.050 0.080 0.000 0.866 827 N CB 0.037 38.620 38.487 0.159 0.000 0.970 827 N HN 0.458 nan 8.380 nan 0.000 0.462 828 Y N 0.323 120.584 120.300 -0.065 0.000 2.319 828 Y HA 0.173 4.722 4.550 -0.001 0.000 0.328 828 Y C -0.140 175.715 175.900 -0.076 0.000 1.133 828 Y CA -0.003 58.139 58.100 0.069 0.000 1.265 828 Y CB 0.336 38.908 38.460 0.188 0.000 1.218 828 Y HN -0.062 nan 8.280 nan 0.000 0.508 829 Y N 3.243 123.693 120.300 0.250 0.000 2.605 829 Y HA 0.459 5.009 4.550 -0.001 0.000 0.343 829 Y C -2.303 173.307 175.900 -0.482 0.000 1.036 829 Y CA -2.908 55.191 58.100 -0.001 0.000 1.065 829 Y CB 1.487 39.938 38.460 -0.014 0.000 1.288 829 Y HN 0.433 nan 8.280 nan 0.000 0.481 830 P HA 0.154 nan 4.420 nan 0.000 0.271 830 P C -0.671 176.386 177.300 -0.404 0.000 1.216 830 P CA 0.167 62.676 63.100 -0.984 0.000 0.776 830 P CB 0.625 31.643 31.700 -1.138 0.000 0.881 831 I N 4.587 125.002 120.570 -0.259 0.000 2.697 831 I HA 0.169 4.338 4.170 -0.001 0.000 0.279 831 I C -1.693 174.353 176.117 -0.118 0.000 1.171 831 I CA -2.477 58.746 61.300 -0.127 0.000 1.135 831 I CB 0.738 38.720 38.000 -0.031 0.000 1.445 831 I HN 0.200 nan 8.210 nan 0.000 0.541 832 P HA -0.062 nan 4.420 nan 0.000 0.221 832 P C 1.038 178.308 177.300 -0.050 0.000 1.150 832 P CA 1.232 64.260 63.100 -0.119 0.000 0.800 832 P CB 0.589 32.191 31.700 -0.164 0.000 0.787 833 S N -3.508 112.168 115.700 -0.040 0.000 2.560 833 S HA 0.470 4.939 4.470 -0.001 0.000 0.281 833 S C 0.564 175.253 174.600 0.149 0.000 1.075 833 S CA 0.324 58.557 58.200 0.055 0.000 1.295 833 S CB 0.345 63.600 63.200 0.092 0.000 1.156 833 S HN 0.339 nan 8.310 nan 0.000 0.627 834 G N 1.524 110.417 108.800 0.155 0.000 2.368 834 G HA2 0.546 4.505 3.960 -0.001 0.000 0.293 834 G HA3 0.546 4.505 3.960 -0.001 0.000 0.293 834 G C -1.490 173.663 174.900 0.422 0.000 1.467 834 G CA -0.424 44.891 45.100 0.358 0.000 0.804 834 G HN 0.887 nan 8.290 nan 0.000 0.535 835 M N -0.655 119.211 119.600 0.444 0.000 2.578 835 M HA 0.897 5.377 4.480 -0.001 0.000 0.276 835 M C -1.695 174.851 176.300 0.410 0.000 1.245 835 M CA -1.028 54.495 55.300 0.373 0.000 0.871 835 M CB 2.546 35.274 32.600 0.214 0.000 1.722 835 M HN 1.226 nan 8.290 nan 0.000 0.473 836 F N 0.754 120.852 119.950 0.247 0.000 2.668 836 F HA 0.897 5.424 4.527 -0.001 0.000 0.309 836 F C -1.805 174.133 175.800 0.229 0.000 1.117 836 F CA -1.206 56.881 58.000 0.144 0.000 0.951 836 F CB 1.100 40.098 39.000 -0.003 0.000 1.323 836 F HN 0.783 nan 8.300 nan 0.000 0.451 837 I N -0.142 120.674 120.570 0.410 0.000 2.785 837 I HA 0.892 5.061 4.170 -0.001 0.000 0.302 837 I C -1.393 174.914 176.117 0.316 0.000 1.069 837 I CA -0.869 60.630 61.300 0.332 0.000 1.045 837 I CB 2.407 40.517 38.000 0.184 0.000 1.236 837 I HN 0.947 nan 8.210 nan 0.000 0.429 838 E N 2.163 122.532 120.200 0.283 0.000 2.407 838 E HA 0.528 4.878 4.350 -0.001 0.000 0.279 838 E C -2.051 174.635 176.600 0.142 0.000 1.012 838 E CA -0.847 55.661 56.400 0.180 0.000 0.800 838 E CB 2.190 31.984 29.700 0.157 0.000 1.276 838 E HN 0.735 nan 8.360 nan 0.000 0.452 839 D N 0.665 121.117 120.400 0.087 0.000 2.723 839 D HA 0.463 5.102 4.640 -0.001 0.000 0.247 839 D C 0.893 177.223 176.300 0.049 0.000 1.134 839 D CA -0.180 53.863 54.000 0.071 0.000 1.099 839 D CB -0.003 40.830 40.800 0.056 0.000 1.287 839 D HN 0.446 nan 8.370 nan 0.000 0.634 840 A N -0.775 122.067 122.820 0.037 0.000 2.019 840 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 840 A C 1.498 179.086 177.584 0.007 0.000 1.164 840 A CA 1.440 53.491 52.037 0.023 0.000 0.644 840 A CB -0.705 18.307 19.000 0.020 0.000 0.805 840 A HN 0.509 nan 8.150 nan 0.000 0.449 841 N N -1.658 117.046 118.700 0.006 0.000 2.397 841 N HA 0.068 4.808 4.740 -0.001 0.000 0.190 841 N C -0.396 175.103 175.510 -0.019 0.000 1.099 841 N CA 0.726 53.772 53.050 -0.008 0.000 0.876 841 N CB 0.612 39.096 38.487 -0.004 0.000 1.143 841 N HN 0.296 nan 8.380 nan 0.000 0.468 842 T N 0.585 115.133 114.554 -0.010 0.000 2.893 842 T HA 0.457 4.806 4.350 -0.001 0.000 0.293 842 T C -0.574 174.118 174.700 -0.013 0.000 1.027 842 T CA -0.651 61.438 62.100 -0.020 0.000 0.988 842 T CB 2.845 71.707 68.868 -0.010 0.000 1.043 842 T HN -0.041 nan 8.240 nan 0.000 0.461 843 R N 1.955 122.430 120.500 -0.042 0.000 2.686 843 R HA 0.717 5.056 4.340 -0.001 0.000 0.283 843 R C -1.960 174.316 176.300 -0.040 0.000 0.978 843 R CA -0.895 55.181 56.100 -0.040 0.000 0.897 843 R CB 1.283 31.495 30.300 -0.147 0.000 1.192 843 R HN 0.459 nan 8.270 nan 0.000 0.457 844 L N 2.832 124.063 121.223 0.013 0.000 2.343 844 L HA 0.495 4.834 4.340 -0.001 0.000 0.278 844 L C -1.301 175.610 176.870 0.068 0.000 0.996 844 L CA 0.092 54.933 54.840 0.002 0.000 0.831 844 L CB 2.218 44.267 42.059 -0.017 0.000 1.232 844 L HN 0.638 nan 8.230 nan 0.000 0.413 845 T N 5.683 120.255 114.554 0.030 0.000 2.807 845 T HA 0.554 4.903 4.350 -0.001 0.000 0.279 845 T C -1.023 173.741 174.700 0.107 0.000 0.993 845 T CA -0.271 61.887 62.100 0.096 0.000 0.970 845 T CB 1.400 70.250 68.868 -0.030 0.000 0.950 845 T HN 0.451 nan 8.240 nan 0.000 0.441 846 L N 5.184 126.508 121.223 0.168 0.000 2.294 846 L HA 0.521 4.860 4.340 -0.001 0.000 0.283 846 L C -1.249 175.768 176.870 0.244 0.000 1.015 846 L CA -0.697 54.255 54.840 0.185 0.000 0.831 846 L CB 0.477 42.630 42.059 0.156 0.000 1.217 846 L HN 0.409 nan 8.230 nan 0.000 0.420 847 L N 3.865 125.232 121.223 0.240 0.000 2.343 847 L HA 0.629 4.968 4.340 -0.001 0.000 0.275 847 L C 0.539 177.554 176.870 0.241 0.000 1.056 847 L CA -0.234 54.744 54.840 0.229 0.000 0.804 847 L CB 1.377 43.537 42.059 0.168 0.000 1.203 847 L HN 0.759 nan 8.230 nan 0.000 0.440 848 T N -2.341 112.309 114.554 0.159 0.000 2.887 848 T HA 0.596 4.946 4.350 -0.001 0.000 0.288 848 T C 0.712 175.371 174.700 -0.068 0.000 1.021 848 T CA -0.307 61.801 62.100 0.014 0.000 1.000 848 T CB 1.917 70.801 68.868 0.026 0.000 1.034 848 T HN 0.679 nan 8.240 nan 0.000 0.467 849 G N 1.312 109.996 108.800 -0.193 0.000 3.141 849 G HA2 0.401 4.361 3.960 -0.001 0.000 0.218 849 G HA3 0.401 4.361 3.960 -0.001 0.000 0.218 849 G C 0.208 175.039 174.900 -0.115 0.000 1.170 849 G CA -0.258 44.760 45.100 -0.138 0.000 0.769 849 G HN 0.965 nan 8.290 nan 0.000 0.546 850 Q N -0.224 119.505 119.800 -0.119 0.000 2.479 850 Q HA 0.309 4.648 4.340 -0.001 0.000 0.276 850 Q C -3.536 172.426 176.000 -0.064 0.000 0.989 850 Q CA -2.303 53.457 55.803 -0.071 0.000 0.864 850 Q CB 1.814 30.527 28.738 -0.043 0.000 1.444 850 Q HN -0.010 nan 8.270 nan 0.000 0.388 851 P HA 0.485 nan 4.420 nan 0.000 0.281 851 P C -0.701 176.586 177.300 -0.023 0.000 1.252 851 P CA -0.185 62.897 63.100 -0.031 0.000 0.778 851 P CB 1.045 32.732 31.700 -0.021 0.000 0.895 852 L N 1.581 122.786 121.223 -0.031 0.000 2.403 852 L HA 0.669 5.009 4.340 -0.001 0.000 0.253 852 L C 0.731 177.617 176.870 0.027 0.000 1.045 852 L CA -1.131 53.714 54.840 0.008 0.000 0.845 852 L CB 2.117 44.167 42.059 -0.016 0.000 1.447 852 L HN 0.346 nan 8.230 nan 0.000 0.411 853 G N -0.942 107.931 108.800 0.122 0.000 2.425 853 G HA2 0.674 4.633 3.960 -0.001 0.000 0.302 853 G HA3 0.674 4.633 3.960 -0.001 0.000 0.302 853 G C -0.494 174.425 174.900 0.031 0.000 1.159 853 G CA 0.119 45.340 45.100 0.202 0.000 0.865 853 G HN 0.871 nan 8.290 nan 0.000 0.515 854 G N -1.427 107.212 108.800 -0.268 0.000 2.550 854 G HA2 0.679 4.638 3.960 -0.001 0.000 0.293 854 G HA3 0.679 4.638 3.960 -0.001 0.000 0.293 854 G C -1.190 173.271 174.900 -0.733 0.000 1.402 854 G CA 0.431 45.173 45.100 -0.598 0.000 0.784 854 G HN 1.294 nan 8.290 nan 0.000 0.482 855 S N -1.903 113.422 115.700 -0.625 0.000 2.655 855 S HA 0.710 5.179 4.470 -0.001 0.000 0.266 855 S C -1.556 172.608 174.600 -0.727 0.000 1.149 855 S CA 0.330 58.167 58.200 -0.606 0.000 0.818 855 S CB 1.298 64.215 63.200 -0.473 0.000 1.130 855 S HN 1.542 nan 8.310 nan 0.000 0.476 856 S N 1.705 116.679 115.700 -1.210 0.000 2.653 856 S HA 0.482 4.951 4.470 -0.001 0.000 0.272 856 S C 0.229 174.576 174.600 -0.423 0.000 1.221 856 S CA -0.638 57.114 58.200 -0.747 0.000 1.149 856 S CB -0.098 62.598 63.200 -0.840 0.000 1.029 856 S HN 0.573 nan 8.310 nan 0.000 0.481 857 L N 3.083 124.198 121.223 -0.180 0.000 2.558 857 L HA 0.472 4.812 4.340 -0.001 0.000 0.225 857 L C 0.884 177.743 176.870 -0.019 0.000 1.128 857 L CA 0.256 55.069 54.840 -0.044 0.000 0.868 857 L CB -0.021 42.071 42.059 0.055 0.000 1.006 857 L HN 0.686 nan 8.230 nan 0.000 0.454 858 A N -1.194 121.603 122.820 -0.039 0.000 2.594 858 A HA 0.458 4.778 4.320 -0.001 0.000 0.295 858 A C -0.418 177.159 177.584 -0.012 0.000 1.071 858 A CA -0.443 51.587 52.037 -0.012 0.000 0.685 858 A CB 1.241 20.238 19.000 -0.005 0.000 1.285 858 A HN -0.137 nan 8.150 nan 0.000 0.405 859 S N -0.040 115.666 115.700 0.009 0.000 2.563 859 S HA 0.389 4.859 4.470 -0.001 0.000 0.294 859 S C 1.530 176.143 174.600 0.022 0.000 1.279 859 S CA 1.944 60.157 58.200 0.023 0.000 1.069 859 S CB -0.111 63.105 63.200 0.026 0.000 0.828 859 S HN 2.655 nan 8.310 nan 0.000 0.497 860 G N 3.462 112.281 108.800 0.031 0.000 2.179 860 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.260 860 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.260 860 G C -0.172 174.729 174.900 0.000 0.000 0.977 860 G CA 0.456 45.576 45.100 0.035 0.000 0.641 860 G HN 0.718 nan 8.290 nan 0.000 0.533 861 E N -0.499 119.684 120.200 -0.027 0.000 2.212 861 E HA 0.781 5.130 4.350 -0.001 0.000 0.270 861 E C -0.249 176.293 176.600 -0.096 0.000 0.956 861 E CA -0.761 55.602 56.400 -0.061 0.000 0.825 861 E CB 1.894 31.557 29.700 -0.063 0.000 1.167 861 E HN 0.233 nan 8.360 nan 0.000 0.400 862 L N 1.642 122.805 121.223 -0.100 0.000 2.388 862 L HA 0.481 4.820 4.340 -0.001 0.000 0.264 862 L C -0.654 176.153 176.870 -0.105 0.000 0.998 862 L CA -0.634 54.137 54.840 -0.116 0.000 0.817 862 L CB 2.050 44.072 42.059 -0.061 0.000 1.338 862 L HN 0.670 nan 8.230 nan 0.000 0.414 863 E N 2.718 122.846 120.200 -0.120 0.000 2.390 863 E HA 0.696 5.045 4.350 -0.001 0.000 0.277 863 E C -1.546 175.010 176.600 -0.073 0.000 0.939 863 E CA -0.841 55.522 56.400 -0.063 0.000 0.769 863 E CB 3.337 33.044 29.700 0.013 0.000 1.251 863 E HN 0.522 nan 8.360 nan 0.000 0.450 864 I N 2.073 122.639 120.570 -0.006 0.000 2.571 864 I HA 0.325 4.494 4.170 -0.001 0.000 0.289 864 I C -1.390 174.795 176.117 0.113 0.000 1.115 864 I CA -1.130 60.187 61.300 0.029 0.000 1.045 864 I CB 1.960 39.983 38.000 0.040 0.000 1.238 864 I HN 0.778 nan 8.210 nan 0.000 0.424 865 M N 6.303 126.005 119.600 0.170 0.000 2.228 865 M HA 0.217 4.697 4.480 -0.001 0.000 0.351 865 M C 0.570 176.973 176.300 0.171 0.000 1.233 865 M CA 0.636 56.047 55.300 0.184 0.000 1.129 865 M CB 0.917 33.602 32.600 0.141 0.000 1.604 865 M HN 0.580 nan 8.290 nan 0.000 0.457 866 Q N 1.442 121.378 119.800 0.226 0.000 2.287 866 Q HA 0.251 4.591 4.340 -0.001 0.000 0.201 866 Q C -0.265 175.946 176.000 0.351 0.000 0.946 866 Q CA 0.836 56.840 55.803 0.333 0.000 0.868 866 Q CB 0.374 29.341 28.738 0.382 0.000 0.967 866 Q HN 0.762 nan 8.270 nan 0.000 0.516 867 D N -0.880 119.660 120.400 0.233 0.000 2.653 867 D HA 0.300 4.939 4.640 -0.001 0.000 0.258 867 D C -1.421 174.956 176.300 0.129 0.000 1.252 867 D CA -0.492 53.622 54.000 0.190 0.000 0.777 867 D CB 1.494 42.397 40.800 0.172 0.000 1.339 867 D HN 0.036 nan 8.370 nan 0.000 0.422 868 R N 0.840 121.404 120.500 0.107 0.000 2.584 868 R HA 0.679 5.018 4.340 -0.001 0.000 0.276 868 R C -1.002 175.347 176.300 0.082 0.000 1.046 868 R CA -1.062 55.086 56.100 0.079 0.000 0.906 868 R CB 2.157 32.476 30.300 0.031 0.000 1.215 868 R HN 0.312 nan 8.270 nan 0.000 0.449 869 R N 3.698 124.244 120.500 0.077 0.000 2.451 869 R HA 0.469 4.808 4.340 -0.001 0.000 0.307 869 R C -1.481 174.857 176.300 0.064 0.000 0.965 869 R CA -0.584 55.558 56.100 0.070 0.000 0.865 869 R CB 1.277 31.616 30.300 0.066 0.000 1.174 869 R HN 0.709 nan 8.270 nan 0.000 0.455 870 L N 3.866 125.124 121.223 0.059 0.000 2.381 870 L HA 0.527 4.866 4.340 -0.001 0.000 0.274 870 L C 0.686 177.584 176.870 0.046 0.000 0.988 870 L CA -0.511 54.360 54.840 0.053 0.000 0.824 870 L CB 2.164 44.254 42.059 0.053 0.000 1.263 870 L HN 0.805 nan 8.230 nan 0.000 0.410 871 A N 1.520 124.364 122.820 0.040 0.000 2.123 871 A HA 0.191 4.511 4.320 -0.001 0.000 0.214 871 A C 0.939 178.542 177.584 0.031 0.000 1.152 871 A CA 0.520 52.578 52.037 0.035 0.000 0.728 871 A CB 0.061 19.080 19.000 0.031 0.000 0.814 871 A HN 0.599 nan 8.150 nan 0.000 0.464 872 S N -0.045 115.674 115.700 0.031 0.000 2.608 872 S HA 0.411 4.881 4.470 -0.001 0.000 0.291 872 S C -0.644 173.977 174.600 0.034 0.000 1.146 872 S CA -0.625 57.592 58.200 0.028 0.000 1.043 872 S CB 1.437 64.649 63.200 0.021 0.000 1.037 872 S HN 0.493 nan 8.310 nan 0.000 0.520 873 D N 0.337 120.757 120.400 0.034 0.000 2.304 873 D HA 0.221 4.860 4.640 -0.001 0.000 0.247 873 D C -0.067 176.255 176.300 0.037 0.000 1.089 873 D CA -0.433 53.595 54.000 0.047 0.000 0.910 873 D CB 0.722 41.548 40.800 0.044 0.000 1.199 873 D HN 0.483 nan 8.370 nan 0.000 0.426 874 D N 2.013 122.443 120.400 0.050 0.000 2.427 874 D HA 0.057 4.697 4.640 -0.001 0.000 0.224 874 D C -0.345 175.933 176.300 -0.037 0.000 1.157 874 D CA -0.264 53.737 54.000 0.003 0.000 0.828 874 D CB -0.457 40.336 40.800 -0.012 0.000 0.974 874 D HN 0.687 nan 8.370 nan 0.000 0.498 875 E N -0.292 119.908 120.200 -0.000 0.000 2.637 875 E HA -0.212 4.137 4.350 -0.001 0.000 0.265 875 E C 0.273 176.846 176.600 -0.044 0.000 1.073 875 E CA 0.173 56.566 56.400 -0.011 0.000 0.778 875 E CB -0.687 29.003 29.700 -0.018 0.000 1.362 875 E HN 0.202 nan 8.360 nan 0.000 0.413 876 R N -0.687 119.765 120.500 -0.079 0.000 2.472 876 R HA 0.218 4.558 4.340 -0.001 0.000 0.279 876 R C 1.378 177.748 176.300 0.116 0.000 0.953 876 R CA 0.738 56.729 56.100 -0.182 0.000 1.088 876 R CB 1.141 30.936 30.300 -0.841 0.000 1.197 876 R HN 0.405 nan 8.270 nan 0.000 0.536 877 G N 0.719 109.656 108.800 0.229 0.000 2.231 877 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.206 877 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.206 877 G C 0.704 175.695 174.900 0.152 0.000 0.996 877 G CA 0.170 45.471 45.100 0.335 0.000 0.645 877 G HN 0.268 nan 8.290 nan 0.000 0.498 878 L N 1.546 122.956 121.223 0.312 0.000 2.156 878 L HA 0.464 4.804 4.340 -0.001 0.000 0.208 878 L C 2.183 179.038 176.870 -0.025 0.000 1.095 878 L CA 2.656 57.566 54.840 0.117 0.000 0.770 878 L CB -0.573 41.713 42.059 0.378 0.000 0.914 878 L HN 1.663 nan 8.230 nan 0.000 0.439 879 G N -0.382 108.440 108.800 0.036 0.000 2.160 879 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.251 879 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.251 879 G C 0.087 174.995 174.900 0.014 0.000 1.008 879 G CA 0.665 45.770 45.100 0.007 0.000 0.724 879 G HN 0.785 nan 8.290 nan 0.000 0.514 880 Q N -1.899 117.924 119.800 0.038 0.000 2.575 880 Q HA 0.691 5.031 4.340 -0.001 0.000 0.290 880 Q C 0.414 176.445 176.000 0.050 0.000 0.963 880 Q CA -0.614 55.211 55.803 0.037 0.000 0.783 880 Q CB 0.605 29.363 28.738 0.033 0.000 1.467 880 Q HN 0.884 nan 8.270 nan 0.000 0.402 881 G N 0.088 108.915 108.800 0.044 0.000 2.531 881 G HA2 0.506 4.466 3.960 -0.001 0.000 0.253 881 G HA3 0.506 4.466 3.960 -0.001 0.000 0.253 881 G C -0.951 173.979 174.900 0.051 0.000 1.439 881 G CA -0.638 44.489 45.100 0.046 0.000 1.056 881 G HN 0.405 nan 8.290 nan 0.000 0.555 882 V N 0.808 120.753 119.914 0.053 0.000 2.305 882 V HA 0.343 4.463 4.120 -0.001 0.000 0.275 882 V C 0.055 176.188 176.094 0.065 0.000 1.020 882 V CA -0.167 62.172 62.300 0.065 0.000 0.811 882 V CB 0.983 32.847 31.823 0.068 0.000 1.031 882 V HN 0.544 nan 8.190 nan 0.000 0.439 883 L N 3.281 124.541 121.223 0.063 0.000 3.229 883 L HA 0.315 4.655 4.340 -0.001 0.000 0.286 883 L C 0.641 177.546 176.870 0.058 0.000 1.239 883 L CA 0.031 54.904 54.840 0.056 0.000 1.035 883 L CB 0.709 42.795 42.059 0.045 0.000 1.408 883 L HN 0.676 nan 8.230 nan 0.000 0.593 884 D N -2.046 118.396 120.400 0.072 0.000 2.525 884 D HA 0.054 4.693 4.640 -0.001 0.000 0.229 884 D C 0.144 176.494 176.300 0.083 0.000 1.202 884 D CA -0.444 53.600 54.000 0.074 0.000 0.828 884 D CB -0.410 40.442 40.800 0.086 0.000 1.008 884 D HN 0.086 nan 8.370 nan 0.000 0.493 885 N N 1.623 120.369 118.700 0.078 0.000 2.374 885 N HA 0.121 4.860 4.740 -0.001 0.000 0.241 885 N C 0.206 175.736 175.510 0.033 0.000 1.262 885 N CA 0.307 53.403 53.050 0.077 0.000 0.880 885 N CB 0.666 39.196 38.487 0.072 0.000 1.105 885 N HN 0.318 nan 8.380 nan 0.000 0.438 886 K N -0.589 119.818 120.400 0.011 0.000 2.536 886 K HA 0.553 4.873 4.320 -0.001 0.000 0.269 886 K C -3.259 173.322 176.600 -0.032 0.000 0.965 886 K CA -2.002 54.248 56.287 -0.061 0.000 0.860 886 K CB 1.252 33.631 32.500 -0.201 0.000 1.423 886 K HN 0.125 nan 8.250 nan 0.000 0.438 887 P HA -0.005 nan 4.420 nan 0.000 0.265 887 P C -1.030 176.290 177.300 0.035 0.000 1.193 887 P CA -0.436 62.650 63.100 -0.024 0.000 0.765 887 P CB 0.774 32.449 31.700 -0.041 0.000 0.823 888 V N 5.121 125.023 119.914 -0.019 0.000 2.841 888 V HA 0.474 4.593 4.120 -0.001 0.000 0.310 888 V C -1.306 174.664 176.094 -0.207 0.000 1.090 888 V CA -1.102 61.164 62.300 -0.057 0.000 0.930 888 V CB 2.099 33.868 31.823 -0.091 0.000 1.014 888 V HN 0.288 nan 8.190 nan 0.000 0.425 889 L N 7.030 128.159 121.223 -0.157 0.000 2.272 889 L HA 0.591 4.931 4.340 -0.001 0.000 0.284 889 L C -0.345 176.502 176.870 -0.038 0.000 1.045 889 L CA 0.124 54.902 54.840 -0.103 0.000 0.842 889 L CB 0.283 42.308 42.059 -0.058 0.000 1.224 889 L HN 0.704 nan 8.230 nan 0.000 0.430 890 H N 5.573 124.661 119.070 0.030 0.000 2.582 890 H HA 0.485 5.041 4.556 -0.001 0.000 0.345 890 H C -0.091 175.136 175.328 -0.167 0.000 1.104 890 H CA -0.153 55.857 56.048 -0.063 0.000 1.390 890 H CB 1.212 31.008 29.762 0.055 0.000 1.461 890 H HN 0.691 nan 8.280 nan 0.000 0.551 891 I N 0.115 120.515 120.570 -0.283 0.000 2.689 891 I HA 0.614 4.783 4.170 -0.001 0.000 0.299 891 I C -1.421 174.343 176.117 -0.587 0.000 1.059 891 I CA -0.958 60.191 61.300 -0.251 0.000 1.055 891 I CB 2.187 40.130 38.000 -0.095 0.000 1.243 891 I HN 0.247 nan 8.210 nan 0.000 0.425 892 Y N 2.308 122.652 120.300 0.072 0.000 2.638 892 Y HA 0.693 5.243 4.550 -0.001 0.000 0.335 892 Y C -0.643 175.305 175.900 0.080 0.000 1.155 892 Y CA -1.081 57.069 58.100 0.084 0.000 1.046 892 Y CB 1.573 40.105 38.460 0.119 0.000 1.303 892 Y HN 0.423 nan 8.280 nan 0.000 0.460 893 R N 1.364 122.024 120.500 0.267 0.000 2.686 893 R HA 0.614 4.953 4.340 -0.001 0.000 0.286 893 R C -1.939 174.473 176.300 0.186 0.000 0.969 893 R CA -1.147 55.061 56.100 0.181 0.000 0.898 893 R CB 2.615 32.980 30.300 0.109 0.000 1.183 893 R HN 0.652 nan 8.270 nan 0.000 0.456 894 L N 2.460 123.774 121.223 0.151 0.000 2.316 894 L HA 0.431 4.771 4.340 -0.001 0.000 0.280 894 L C -1.242 175.658 176.870 0.049 0.000 1.006 894 L CA -0.550 54.356 54.840 0.111 0.000 0.836 894 L CB 1.774 43.916 42.059 0.139 0.000 1.221 894 L HN 0.305 nan 8.230 nan 0.000 0.418 895 V N 6.208 126.134 119.914 0.021 0.000 2.326 895 V HA 0.400 4.519 4.120 -0.001 0.000 0.281 895 V C -0.324 175.744 176.094 -0.044 0.000 1.015 895 V CA -0.578 61.713 62.300 -0.015 0.000 0.823 895 V CB 1.376 33.182 31.823 -0.027 0.000 1.009 895 V HN 0.632 nan 8.190 nan 0.000 0.436 896 L N 5.523 126.715 121.223 -0.053 0.000 2.275 896 L HA 0.682 5.021 4.340 -0.001 0.000 0.288 896 L C -0.129 176.699 176.870 -0.070 0.000 1.046 896 L CA 0.660 55.460 54.840 -0.066 0.000 0.805 896 L CB 1.034 43.048 42.059 -0.074 0.000 1.193 896 L HN 0.740 nan 8.230 nan 0.000 0.426 897 E N 3.659 123.811 120.200 -0.080 0.000 2.383 897 E HA 0.434 4.784 4.350 -0.001 0.000 0.275 897 E C -1.274 175.279 176.600 -0.079 0.000 0.918 897 E CA -1.192 55.157 56.400 -0.084 0.000 0.764 897 E CB 1.493 31.128 29.700 -0.109 0.000 1.252 897 E HN 0.247 nan 8.360 nan 0.000 0.449 898 K N 1.408 121.766 120.400 -0.071 0.000 2.276 898 K HA 0.189 4.508 4.320 -0.001 0.000 0.283 898 K C 0.379 176.935 176.600 -0.073 0.000 1.044 898 K CA -0.141 56.109 56.287 -0.062 0.000 0.944 898 K CB 1.231 33.699 32.500 -0.053 0.000 1.012 898 K HN 0.483 nan 8.250 nan 0.000 0.472 899 V N -0.401 119.471 119.914 -0.069 0.000 3.253 899 V HA 0.029 4.148 4.120 -0.001 0.000 0.320 899 V C 1.141 177.200 176.094 -0.058 0.000 1.442 899 V CA -0.338 61.914 62.300 -0.080 0.000 1.097 899 V CB -0.290 31.470 31.823 -0.104 0.000 1.008 899 V HN 0.599 nan 8.190 nan 0.000 0.463 900 N N 1.342 120.016 118.700 -0.043 0.000 2.364 900 N HA -0.158 4.581 4.740 -0.001 0.000 0.183 900 N C 1.021 176.511 175.510 -0.034 0.000 1.022 900 N CA 1.490 54.521 53.050 -0.031 0.000 0.883 900 N CB -0.468 38.005 38.487 -0.024 0.000 0.965 900 N HN 0.535 nan 8.380 nan 0.000 0.438 901 N N 0.036 118.710 118.700 -0.043 0.000 2.280 901 N HA 0.074 4.813 4.740 -0.001 0.000 0.192 901 N C -0.277 175.201 175.510 -0.053 0.000 1.109 901 N CA -0.102 52.922 53.050 -0.044 0.000 0.855 901 N CB 0.152 38.612 38.487 -0.045 0.000 0.974 901 N HN 0.203 nan 8.380 nan 0.000 0.482 902 c N 1.304 119.866 118.600 -0.063 0.000 2.601 902 c HA 0.266 4.836 4.570 -0.001 0.000 0.409 902 c C 1.070 175.121 174.090 -0.065 0.000 1.293 902 c CA -0.930 55.354 56.329 -0.076 0.000 2.101 902 c CB 0.821 43.272 42.510 -0.099 0.000 2.639 902 c HN 0.007 nan 8.230 nan 0.000 0.592 903 V N 5.616 125.488 119.914 -0.071 0.000 2.370 903 V HA 0.188 4.307 4.120 -0.001 0.000 0.257 903 V C 0.671 176.726 176.094 -0.065 0.000 1.064 903 V CA 0.402 62.665 62.300 -0.062 0.000 0.975 903 V CB -0.797 30.985 31.823 -0.068 0.000 1.067 903 V HN 0.787 nan 8.190 nan 0.000 0.485 904 R N 4.538 125.012 120.500 -0.044 0.000 2.674 904 R HA 0.535 4.875 4.340 -0.001 0.000 0.266 904 R C -2.413 173.880 176.300 -0.013 0.000 1.016 904 R CA -1.830 54.252 56.100 -0.029 0.000 1.062 904 R CB 0.977 31.265 30.300 -0.020 0.000 1.142 904 R HN 0.385 nan 8.270 nan 0.000 0.517 905 P HA -0.036 nan 4.420 nan 0.000 0.270 905 P C -0.393 176.944 177.300 0.062 0.000 1.223 905 P CA -0.185 62.898 63.100 -0.028 0.000 0.785 905 P CB 0.597 32.204 31.700 -0.156 0.000 0.923 906 S N 0.911 116.676 115.700 0.108 0.000 2.596 906 S HA 0.084 4.554 4.470 -0.001 0.000 0.260 906 S C 1.106 175.786 174.600 0.134 0.000 1.336 906 S CA -0.152 58.114 58.200 0.110 0.000 0.993 906 S CB 0.311 63.577 63.200 0.110 0.000 0.923 906 S HN 0.307 nan 8.310 nan 0.000 0.567 907 K N 0.202 120.663 120.400 0.100 0.000 2.211 907 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 907 K C 1.464 178.120 176.600 0.093 0.000 1.047 907 K CA 1.279 57.622 56.287 0.094 0.000 0.935 907 K CB -0.552 31.987 32.500 0.065 0.000 0.728 907 K HN 0.560 nan 8.250 nan 0.000 0.452 908 L N 0.003 121.283 121.223 0.095 0.000 2.592 908 L HA 0.043 4.382 4.340 -0.001 0.000 0.227 908 L C 1.024 177.945 176.870 0.086 0.000 1.127 908 L CA -0.239 54.642 54.840 0.067 0.000 0.884 908 L CB -0.222 41.862 42.059 0.041 0.000 1.065 908 L HN 0.227 nan 8.230 nan 0.000 0.457 909 H N 2.688 121.794 119.070 0.060 0.000 2.683 909 H HA 0.098 4.654 4.556 -0.001 0.000 0.339 909 H C -1.664 173.703 175.328 0.064 0.000 1.081 909 H CA -1.382 54.714 56.048 0.080 0.000 1.432 909 H CB 1.857 31.692 29.762 0.123 0.000 1.462 909 H HN -0.082 nan 8.280 nan 0.000 0.557 910 P HA 0.135 nan 4.420 nan 0.000 0.245 910 P C -0.317 177.088 177.300 0.174 0.000 1.206 910 P CA 0.189 63.324 63.100 0.059 0.000 0.781 910 P CB 0.520 32.179 31.700 -0.068 0.000 0.994 911 A N -0.265 122.830 122.820 0.459 0.000 2.299 911 A HA 0.745 5.064 4.320 -0.001 0.000 0.332 911 A C 0.279 177.923 177.584 0.099 0.000 1.131 911 A CA -0.292 51.877 52.037 0.220 0.000 0.844 911 A CB 1.005 20.116 19.000 0.185 0.000 1.251 911 A HN 0.165 nan 8.150 nan 0.000 0.486 912 G N -1.430 107.301 108.800 -0.115 0.000 2.658 912 G HA2 0.634 4.594 3.960 -0.001 0.000 0.292 912 G HA3 0.634 4.594 3.960 -0.001 0.000 0.292 912 G C -1.844 172.703 174.900 -0.590 0.000 1.320 912 G CA -0.402 44.540 45.100 -0.262 0.000 0.933 912 G HN 0.521 nan 8.290 nan 0.000 0.476 913 Y N -0.830 119.438 120.300 -0.054 0.000 2.504 913 Y HA 0.479 5.028 4.550 -0.001 0.000 0.344 913 Y C 0.319 175.983 175.900 -0.393 0.000 1.023 913 Y CA -0.832 57.168 58.100 -0.167 0.000 1.020 913 Y CB 2.026 40.380 38.460 -0.177 0.000 1.282 913 Y HN 0.349 nan 8.280 nan 0.000 0.454 914 L N 2.199 123.259 121.223 -0.271 0.000 2.453 914 L HA 0.389 4.728 4.340 -0.001 0.000 0.261 914 L C 0.748 177.465 176.870 -0.255 0.000 1.179 914 L CA -0.568 54.030 54.840 -0.403 0.000 0.813 914 L CB 0.842 42.743 42.059 -0.263 0.000 1.110 914 L HN 0.795 nan 8.230 nan 0.000 0.466 915 T N -2.532 111.861 114.554 -0.268 0.000 2.816 915 T HA 0.046 4.395 4.350 -0.001 0.000 0.282 915 T C 1.167 175.812 174.700 -0.091 0.000 0.993 915 T CA -0.142 61.852 62.100 -0.177 0.000 0.994 915 T CB 1.468 70.228 68.868 -0.181 0.000 1.025 915 T HN 0.625 nan 8.240 nan 0.000 0.529 916 S N 0.637 116.296 115.700 -0.068 0.000 2.359 916 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 916 S C 2.335 176.942 174.600 0.011 0.000 1.035 916 S CA 1.529 59.722 58.200 -0.012 0.000 1.018 916 S CB -1.246 61.932 63.200 -0.037 0.000 0.876 916 S HN 0.936 nan 8.310 nan 0.000 0.448 917 A N 1.117 123.920 122.820 -0.029 0.000 1.930 917 A HA 0.269 4.588 4.320 -0.001 0.000 0.217 917 A C 2.464 180.040 177.584 -0.014 0.000 1.175 917 A CA 1.786 53.809 52.037 -0.022 0.000 0.627 917 A CB -1.295 17.682 19.000 -0.039 0.000 0.815 917 A HN 0.808 nan 8.150 nan 0.000 0.443 918 A N -1.329 121.469 122.820 -0.035 0.000 1.930 918 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 918 A C 2.109 179.719 177.584 0.044 0.000 1.175 918 A CA 1.586 53.608 52.037 -0.026 0.000 0.627 918 A CB -0.903 18.026 19.000 -0.118 0.000 0.815 918 A HN 0.779 nan 8.150 nan 0.000 0.443 919 H N 0.004 119.058 119.070 -0.027 0.000 2.326 919 H HA -0.048 4.507 4.556 -0.001 0.000 0.301 919 H C 1.843 177.203 175.328 0.054 0.000 1.081 919 H CA 1.777 57.845 56.048 0.034 0.000 1.334 919 H CB -0.048 29.728 29.762 0.024 0.000 1.385 919 H HN 0.428 nan 8.280 nan 0.000 0.504 920 K N 0.246 120.604 120.400 -0.069 0.000 2.097 920 K HA -0.091 4.228 4.320 -0.001 0.000 0.206 920 K C 2.376 178.937 176.600 -0.065 0.000 1.049 920 K CA 0.923 57.152 56.287 -0.097 0.000 0.933 920 K CB -0.062 32.428 32.500 -0.016 0.000 0.717 920 K HN 0.276 nan 8.250 nan 0.000 0.442 921 A N 0.824 123.630 122.820 -0.024 0.000 1.933 921 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 921 A C 2.203 179.786 177.584 -0.002 0.000 1.175 921 A CA 1.986 54.023 52.037 -0.001 0.000 0.628 921 A CB -0.598 18.415 19.000 0.023 0.000 0.814 921 A HN 0.284 nan 8.150 nan 0.000 0.444 922 S N -0.636 115.066 115.700 0.004 0.000 2.368 922 S HA -0.234 4.235 4.470 -0.001 0.000 0.225 922 S C 2.135 176.717 174.600 -0.030 0.000 1.030 922 S CA 1.704 59.922 58.200 0.030 0.000 0.999 922 S CB -0.407 62.858 63.200 0.109 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.638 120.374 119.800 -0.106 0.000 2.170 923 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 923 Q C 2.493 178.437 176.000 -0.093 0.000 0.976 923 Q CA 1.682 57.421 55.803 -0.106 0.000 0.858 923 Q CB -0.324 28.331 28.738 -0.139 0.000 0.907 923 Q HN 0.815 nan 8.270 nan 0.000 0.433 924 S N 0.202 115.858 115.700 -0.072 0.000 2.423 924 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 924 S C 1.836 176.376 174.600 -0.100 0.000 1.014 924 S CA 0.702 58.858 58.200 -0.074 0.000 0.965 924 S CB -0.209 62.968 63.200 -0.039 0.000 0.785 924 S HN 0.282 nan 8.310 nan 0.000 0.495 925 L N -0.059 121.113 121.223 -0.085 0.000 2.168 925 L HA 0.243 4.582 4.340 -0.001 0.000 0.203 925 L C 2.488 179.267 176.870 -0.152 0.000 1.078 925 L CA 0.687 55.469 54.840 -0.098 0.000 0.780 925 L CB -0.347 41.678 42.059 -0.057 0.000 0.939 925 L HN 0.279 nan 8.230 nan 0.000 0.451 926 L N -1.181 119.956 121.223 -0.143 0.000 2.249 926 L HA 0.035 4.374 4.340 -0.001 0.000 0.207 926 L C 0.190 176.886 176.870 -0.291 0.000 1.090 926 L CA 0.763 55.493 54.840 -0.183 0.000 0.802 926 L CB 0.125 42.112 42.059 -0.119 0.000 0.947 926 L HN 0.196 nan 8.230 nan 0.000 0.453 927 D N 0.277 120.500 120.400 -0.296 0.000 2.739 927 D HA 0.225 4.864 4.640 -0.001 0.000 0.335 927 D C -2.332 173.721 176.300 -0.411 0.000 1.216 927 D CA -0.982 52.769 54.000 -0.414 0.000 0.808 927 D CB 1.245 41.996 40.800 -0.082 0.000 1.121 927 D HN 0.056 nan 8.370 nan 0.000 0.499 928 P HA 0.091 nan 4.420 nan 0.000 0.274 928 P C 0.605 177.767 177.300 -0.230 0.000 1.260 928 P CA -0.452 62.466 63.100 -0.303 0.000 0.793 928 P CB 1.481 33.007 31.700 -0.291 0.000 1.048 929 L N 0.719 121.875 121.223 -0.113 0.000 2.485 929 L HA 0.081 4.420 4.340 -0.001 0.000 0.275 929 L C 0.931 177.812 176.870 0.018 0.000 1.207 929 L CA 0.420 55.248 54.840 -0.021 0.000 0.855 929 L CB -0.339 41.724 42.059 0.008 0.000 1.114 929 L HN 0.284 nan 8.230 nan 0.000 0.485 930 D N 2.940 123.439 120.400 0.164 0.000 2.225 930 D HA 0.333 4.973 4.640 -0.001 0.000 0.249 930 D C -0.351 176.008 176.300 0.099 0.000 1.052 930 D CA -0.308 53.777 54.000 0.142 0.000 0.909 930 D CB 1.678 42.652 40.800 0.290 0.000 1.186 930 D HN 0.373 nan 8.370 nan 0.000 0.431 931 K N 1.366 121.708 120.400 -0.097 0.000 2.345 931 K HA 0.472 4.791 4.320 -0.001 0.000 0.255 931 K C -1.022 175.541 176.600 -0.062 0.000 0.934 931 K CA -0.646 55.689 56.287 0.080 0.000 0.801 931 K CB 1.589 34.090 32.500 0.002 0.000 1.137 931 K HN 0.228 nan 8.250 nan 0.000 0.424 932 F N 2.542 122.699 119.950 0.345 0.000 2.520 932 F HA 0.496 5.023 4.527 -0.001 0.000 0.322 932 F C 0.002 176.088 175.800 0.477 0.000 1.103 932 F CA -0.884 57.306 58.000 0.316 0.000 0.926 932 F CB 1.304 40.324 39.000 0.033 0.000 1.154 932 F HN 0.200 nan 8.300 nan 0.000 0.453 933 I N 3.479 124.431 120.570 0.637 0.000 2.362 933 I HA 0.220 4.389 4.170 -0.001 0.000 0.289 933 I C -0.565 175.839 176.117 0.478 0.000 0.994 933 I CA -0.841 60.759 61.300 0.499 0.000 1.158 933 I CB 1.252 39.444 38.000 0.319 0.000 1.315 933 I HN 0.436 nan 8.210 nan 0.000 0.451 934 F N 5.826 125.947 119.950 0.284 0.000 2.578 934 F HA 0.205 4.732 4.527 -0.001 0.000 0.376 934 F C 1.180 176.904 175.800 -0.127 0.000 1.085 934 F CA -0.008 57.857 58.000 -0.226 0.000 1.260 934 F CB 1.183 40.083 39.000 -0.168 0.000 1.095 934 F HN 0.583 nan 8.300 nan 0.000 0.573 935 A N 4.339 126.547 122.820 -1.019 0.000 2.132 935 A HA 0.136 4.456 4.320 -0.001 0.000 0.213 935 A C 0.661 177.950 177.584 -0.492 0.000 1.154 935 A CA 0.394 52.074 52.037 -0.595 0.000 0.753 935 A CB -0.369 18.284 19.000 -0.578 0.000 0.826 935 A HN 0.808 nan 8.150 nan 0.000 0.469 936 E N -1.196 118.581 120.200 -0.705 0.000 2.390 936 E HA 0.265 4.614 4.350 -0.001 0.000 0.249 936 E C 0.049 176.752 176.600 0.172 0.000 0.981 936 E CA -0.925 55.377 56.400 -0.163 0.000 0.860 936 E CB 0.448 30.134 29.700 -0.023 0.000 1.278 936 E HN 0.079 nan 8.360 nan 0.000 0.416 937 N N 0.527 119.346 118.700 0.198 0.000 2.216 937 N HA -0.074 4.665 4.740 -0.001 0.000 0.183 937 N C -0.373 175.291 175.510 0.257 0.000 1.017 937 N CA 0.980 54.156 53.050 0.210 0.000 0.861 937 N CB 0.236 38.799 38.487 0.128 0.000 0.986 937 N HN 0.415 nan 8.380 nan 0.000 0.428 938 E N -0.691 119.685 120.200 0.293 0.000 2.263 938 E HA 0.104 4.453 4.350 -0.001 0.000 0.268 938 E C -1.578 175.079 176.600 0.094 0.000 0.884 938 E CA -0.693 55.791 56.400 0.140 0.000 0.766 938 E CB 1.175 30.925 29.700 0.083 0.000 1.196 938 E HN 0.003 nan 8.360 nan 0.000 0.416 939 W N 8.063 129.004 121.300 -0.598 0.000 2.288 939 W HA 0.401 5.061 4.660 -0.001 0.000 0.325 939 W C -1.233 175.070 176.519 -0.361 0.000 1.019 939 W CA -1.431 55.409 57.345 -0.842 0.000 1.403 939 W CB -0.079 28.419 29.460 -1.603 0.000 1.226 939 W HN 0.465 nan 8.180 nan 0.000 0.391 940 I N 6.270 126.928 120.570 0.146 0.000 2.496 940 I HA 0.233 4.402 4.170 -0.001 0.000 0.285 940 I C 1.487 177.602 176.117 -0.003 0.000 1.080 940 I CA 1.008 62.328 61.300 0.034 0.000 1.404 940 I CB 0.474 38.523 38.000 0.082 0.000 1.403 940 I HN 0.788 nan 8.210 nan 0.000 0.539 941 G N 4.317 113.029 108.800 -0.147 0.000 2.143 941 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.249 941 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.249 941 G C 0.388 175.068 174.900 -0.366 0.000 0.981 941 G CA -0.086 44.917 45.100 -0.162 0.000 0.665 941 G HN 0.995 nan 8.290 nan 0.000 0.528 942 A N -0.332 122.001 122.820 -0.810 0.000 2.511 942 A HA 0.578 4.898 4.320 -0.001 0.000 0.242 942 A C 0.582 177.774 177.584 -0.652 0.000 1.069 942 A CA 0.753 51.984 52.037 -1.343 0.000 0.763 942 A CB 0.263 18.079 19.000 -1.973 0.000 1.001 942 A HN 0.623 nan 8.150 nan 0.000 0.498 943 Q N 0.804 120.314 119.800 -0.483 0.000 2.297 943 Q HA 0.524 4.863 4.340 -0.001 0.000 0.268 943 Q C 1.136 177.042 176.000 -0.158 0.000 1.045 943 Q CA -0.229 55.434 55.803 -0.232 0.000 0.861 943 Q CB 1.847 30.515 28.738 -0.117 0.000 1.344 943 Q HN 0.792 nan 8.270 nan 0.000 0.452 944 G N -0.011 108.725 108.800 -0.106 0.000 2.539 944 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.215 944 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.215 944 G C 0.196 175.075 174.900 -0.035 0.000 1.141 944 G CA 0.571 45.620 45.100 -0.086 0.000 0.806 944 G HN 0.442 nan 8.290 nan 0.000 0.533 945 Q N -1.477 118.318 119.800 -0.007 0.000 2.527 945 Q HA 0.516 4.856 4.340 -0.001 0.000 0.280 945 Q C -2.365 173.657 176.000 0.037 0.000 0.977 945 Q CA -0.926 54.886 55.803 0.015 0.000 0.837 945 Q CB 2.165 30.896 28.738 -0.013 0.000 1.454 945 Q HN 0.054 nan 8.270 nan 0.000 0.387 946 F N 1.168 121.030 119.950 -0.147 0.000 2.556 946 F HA 0.652 5.178 4.527 -0.001 0.000 0.314 946 F C 0.540 176.093 175.800 -0.413 0.000 1.106 946 F CA 0.468 58.313 58.000 -0.259 0.000 0.911 946 F CB 2.077 40.932 39.000 -0.240 0.000 1.190 946 F HN 0.682 nan 8.300 nan 0.000 0.448 947 G N 3.007 110.782 108.800 -1.708 0.000 2.157 947 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 947 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 947 G C 1.050 175.277 174.900 -1.122 0.000 0.982 947 G CA 0.269 44.127 45.100 -2.069 0.000 0.650 947 G HN 1.567 nan 8.290 nan 0.000 0.527 948 G N 1.191 109.631 108.800 -0.601 0.000 2.479 948 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.220 948 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.220 948 G C 1.236 176.077 174.900 -0.099 0.000 1.115 948 G CA 1.782 46.761 45.100 -0.201 0.000 0.757 948 G HN 0.829 nan 8.290 nan 0.000 0.560 949 D N -0.733 119.528 120.400 -0.233 0.000 2.339 949 D HA 0.015 4.654 4.640 -0.001 0.000 0.217 949 D C 0.354 176.652 176.300 -0.003 0.000 1.050 949 D CA -0.436 53.517 54.000 -0.078 0.000 0.856 949 D CB -0.867 39.892 40.800 -0.068 0.000 0.922 949 D HN 0.461 nan 8.370 nan 0.000 0.518 950 H N 1.092 120.057 119.070 -0.175 0.000 2.764 950 H HA 0.228 4.783 4.556 -0.001 0.000 0.341 950 H C -1.975 173.324 175.328 -0.048 0.000 1.072 950 H CA -1.744 54.225 56.048 -0.131 0.000 1.444 950 H CB 0.614 30.247 29.762 -0.215 0.000 1.458 950 H HN -0.011 nan 8.280 nan 0.000 0.572 951 P HA -0.053 nan 4.420 nan 0.000 0.268 951 P C -0.611 176.759 177.300 0.118 0.000 1.205 951 P CA 0.075 63.239 63.100 0.107 0.000 0.771 951 P CB 0.739 32.480 31.700 0.069 0.000 0.858 952 S N 2.100 117.904 115.700 0.174 0.000 2.434 952 S HA 0.582 5.052 4.470 -0.001 0.000 0.318 952 S C -0.032 174.684 174.600 0.192 0.000 1.062 952 S CA -0.568 57.767 58.200 0.225 0.000 1.116 952 S CB -0.638 62.807 63.200 0.410 0.000 0.977 952 S HN 0.490 nan 8.310 nan 0.000 0.480 953 A N 4.458 127.383 122.820 0.175 0.000 2.332 953 A HA 0.519 4.838 4.320 -0.001 0.000 0.258 953 A C 0.557 178.219 177.584 0.129 0.000 1.087 953 A CA -0.566 51.553 52.037 0.137 0.000 0.802 953 A CB 0.236 19.312 19.000 0.128 0.000 1.042 953 A HN 0.906 nan 8.150 nan 0.000 0.489 954 R N 0.003 120.549 120.500 0.076 0.000 2.697 954 R HA -0.041 4.298 4.340 -0.001 0.000 0.265 954 R C 1.439 177.758 176.300 0.032 0.000 1.009 954 R CA 0.960 57.080 56.100 0.033 0.000 1.099 954 R CB 0.330 30.633 30.300 0.005 0.000 0.965 954 R HN 0.924 nan 8.270 nan 0.000 0.428 955 E N 1.667 121.847 120.200 -0.033 0.000 2.265 955 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 955 E C 0.303 176.940 176.600 0.062 0.000 0.996 955 E CA 1.519 57.880 56.400 -0.065 0.000 0.832 955 E CB -0.053 29.582 29.700 -0.109 0.000 0.756 955 E HN 0.750 nan 8.360 nan 0.000 0.491 956 D N 0.662 121.059 120.400 -0.005 0.000 2.349 956 D HA -0.003 4.636 4.640 -0.001 0.000 0.224 956 D C 0.346 176.649 176.300 0.006 0.000 1.029 956 D CA -0.090 53.865 54.000 -0.074 0.000 0.879 956 D CB -0.036 40.663 40.800 -0.169 0.000 0.906 956 D HN 0.174 nan 8.370 nan 0.000 0.528 957 L N 0.728 122.003 121.223 0.086 0.000 2.309 957 L HA 0.521 4.861 4.340 -0.001 0.000 0.282 957 L C -1.096 175.905 176.870 0.218 0.000 1.036 957 L CA -0.447 54.462 54.840 0.115 0.000 0.806 957 L CB 1.668 43.784 42.059 0.094 0.000 1.220 957 L HN -0.218 nan 8.230 nan 0.000 0.429 958 D N 2.351 122.900 120.400 0.248 0.000 2.671 958 D HA 0.369 5.008 4.640 -0.001 0.000 0.232 958 D C -1.333 175.127 176.300 0.267 0.000 1.114 958 D CA -0.264 53.902 54.000 0.277 0.000 0.858 958 D CB 2.437 43.444 40.800 0.346 0.000 1.544 958 D HN 0.233 nan 8.370 nan 0.000 0.471 959 V N 3.438 123.487 119.914 0.224 0.000 2.258 959 V HA 0.125 4.245 4.120 -0.001 0.000 0.258 959 V C 1.291 177.517 176.094 0.220 0.000 1.121 959 V CA -0.022 62.422 62.300 0.239 0.000 0.942 959 V CB 0.444 32.396 31.823 0.215 0.000 1.170 959 V HN 0.588 nan 8.190 nan 0.000 0.487 960 S N 3.111 118.967 115.700 0.261 0.000 2.382 960 S HA -0.016 4.453 4.470 -0.001 0.000 0.228 960 S C 0.661 175.311 174.600 0.084 0.000 1.027 960 S CA 0.877 59.181 58.200 0.173 0.000 0.991 960 S CB 0.164 63.514 63.200 0.251 0.000 0.823 960 S HN 0.493 nan 8.310 nan 0.000 0.469 961 V N 1.450 121.454 119.914 0.150 0.000 2.686 961 V HA 0.512 4.631 4.120 -0.001 0.000 0.306 961 V C -0.817 175.346 176.094 0.116 0.000 1.065 961 V CA -0.553 61.812 62.300 0.108 0.000 0.894 961 V CB 1.921 33.836 31.823 0.154 0.000 1.004 961 V HN 0.371 nan 8.190 nan 0.000 0.424 962 M N 5.663 125.253 119.600 -0.016 0.000 2.197 962 M HA 0.677 5.156 4.480 -0.001 0.000 0.301 962 M C -1.036 175.098 176.300 -0.278 0.000 0.987 962 M CA -0.485 54.675 55.300 -0.233 0.000 0.921 962 M CB 1.367 33.833 32.600 -0.223 0.000 1.569 962 M HN 0.737 nan 8.290 nan 0.000 0.431 963 R N 4.119 124.385 120.500 -0.390 0.000 2.515 963 R HA 0.428 4.768 4.340 -0.001 0.000 0.291 963 R C -1.368 174.708 176.300 -0.373 0.000 1.046 963 R CA -0.682 55.242 56.100 -0.293 0.000 0.914 963 R CB 1.817 32.028 30.300 -0.149 0.000 1.191 963 R HN 0.896 nan 8.270 nan 0.000 0.435 964 R N 4.458 124.794 120.500 -0.273 0.000 2.442 964 R HA 0.139 4.479 4.340 -0.001 0.000 0.291 964 R C 0.224 176.416 176.300 -0.181 0.000 1.069 964 R CA 0.061 56.025 56.100 -0.226 0.000 1.022 964 R CB 0.630 30.852 30.300 -0.130 0.000 0.976 964 R HN 0.703 nan 8.270 nan 0.000 0.443 965 L N 2.915 124.024 121.223 -0.190 0.000 2.616 965 L HA 0.141 4.481 4.340 -0.001 0.000 0.229 965 L C 0.340 177.160 176.870 -0.083 0.000 1.110 965 L CA 0.057 54.807 54.840 -0.150 0.000 0.884 965 L CB 0.423 42.360 42.059 -0.203 0.000 1.115 965 L HN 0.714 nan 8.230 nan 0.000 0.481 966 T N -2.562 111.953 114.554 -0.065 0.000 2.885 966 T HA 0.449 4.798 4.350 -0.001 0.000 0.285 966 T C -0.223 174.470 174.700 -0.013 0.000 1.019 966 T CA -0.909 61.171 62.100 -0.034 0.000 1.010 966 T CB 2.416 71.269 68.868 -0.024 0.000 1.022 966 T HN -0.082 nan 8.240 nan 0.000 0.466 967 K N 0.902 121.301 120.400 -0.002 0.000 2.102 967 K HA 0.338 4.658 4.320 -0.001 0.000 0.244 967 K C 1.618 178.232 176.600 0.023 0.000 1.021 967 K CA -0.332 55.965 56.287 0.016 0.000 0.913 967 K CB 0.658 33.167 32.500 0.014 0.000 1.062 967 K HN 0.801 nan 8.250 nan 0.000 0.485 968 S N -0.627 115.096 115.700 0.037 0.000 2.469 968 S HA -0.143 4.327 4.470 -0.001 0.000 0.238 968 S C 1.716 176.330 174.600 0.025 0.000 0.998 968 S CA 1.442 59.663 58.200 0.035 0.000 0.957 968 S CB -0.367 62.861 63.200 0.046 0.000 0.764 968 S HN 0.624 nan 8.310 nan 0.000 0.514 969 S N 1.438 117.151 115.700 0.022 0.000 2.522 969 S HA 0.428 4.898 4.470 -0.001 0.000 0.227 969 S C 0.804 175.411 174.600 0.012 0.000 0.986 969 S CA 0.056 58.266 58.200 0.017 0.000 0.929 969 S CB -0.590 62.620 63.200 0.016 0.000 0.769 969 S HN 0.772 nan 8.310 nan 0.000 0.529 970 A N 1.908 124.734 122.820 0.009 0.000 2.404 970 A HA 0.396 4.716 4.320 -0.001 0.000 0.273 970 A C 1.240 178.830 177.584 0.009 0.000 1.144 970 A CA -0.431 51.609 52.037 0.005 0.000 0.806 970 A CB 0.267 19.267 19.000 -0.001 0.000 1.080 970 A HN 0.451 nan 8.150 nan 0.000 0.509 971 K N 1.841 122.246 120.400 0.007 0.000 2.063 971 K HA -0.089 4.231 4.320 -0.001 0.000 0.208 971 K C 0.122 176.731 176.600 0.016 0.000 1.048 971 K CA 1.692 57.986 56.287 0.011 0.000 0.928 971 K CB -0.029 32.475 32.500 0.007 0.000 0.713 971 K HN 0.637 nan 8.250 nan 0.000 0.442 972 T N 2.386 116.946 114.554 0.010 0.000 2.753 972 T HA 0.185 4.535 4.350 -0.001 0.000 0.297 972 T C -0.900 173.814 174.700 0.023 0.000 0.981 972 T CA -0.694 61.415 62.100 0.016 0.000 0.956 972 T CB 1.454 70.321 68.868 -0.001 0.000 0.936 972 T HN 0.094 nan 8.240 nan 0.000 0.463 973 Q N 2.775 122.607 119.800 0.053 0.000 2.340 973 Q HA 0.402 4.742 4.340 -0.001 0.000 0.249 973 Q C 0.055 176.107 176.000 0.087 0.000 0.957 973 Q CA 0.043 55.880 55.803 0.056 0.000 0.882 973 Q CB 1.333 30.104 28.738 0.054 0.000 1.235 973 Q HN 0.543 nan 8.270 nan 0.000 0.439 974 R N 0.388 120.904 120.500 0.027 0.000 2.628 974 R HA 0.658 4.997 4.340 -0.001 0.000 0.288 974 R C -1.066 175.185 176.300 -0.081 0.000 0.980 974 R CA -0.663 55.438 56.100 0.002 0.000 0.891 974 R CB 1.847 32.115 30.300 -0.054 0.000 1.188 974 R HN 0.252 nan 8.270 nan 0.000 0.450 975 V N 1.504 121.366 119.914 -0.087 0.000 2.531 975 V HA 0.597 4.716 4.120 -0.001 0.000 0.301 975 V C 0.175 175.994 176.094 -0.459 0.000 1.034 975 V CA -0.846 61.272 62.300 -0.303 0.000 0.865 975 V CB 2.052 33.703 31.823 -0.287 0.000 0.995 975 V HN 0.946 nan 8.190 nan 0.000 0.424 976 G N 2.980 111.307 108.800 -0.789 0.000 2.371 976 G HA2 0.662 4.621 3.960 -0.001 0.000 0.326 976 G HA3 0.662 4.621 3.960 -0.001 0.000 0.326 976 G C -1.648 172.818 174.900 -0.725 0.000 1.127 976 G CA -0.283 44.184 45.100 -1.056 0.000 0.885 976 G HN 0.505 nan 8.290 nan 0.000 0.477 977 Y N 0.378 120.755 120.300 0.128 0.000 2.442 977 Y HA 0.466 5.015 4.550 -0.001 0.000 0.344 977 Y C -0.129 176.037 175.900 0.444 0.000 0.976 977 Y CA -0.905 57.362 58.100 0.279 0.000 1.040 977 Y CB 2.735 41.327 38.460 0.219 0.000 1.228 977 Y HN 0.347 nan 8.280 nan 0.000 0.451 978 V N 5.044 125.252 119.914 0.491 0.000 2.370 978 V HA 0.355 4.474 4.120 -0.001 0.000 0.283 978 V C -0.560 175.759 176.094 0.375 0.000 1.023 978 V CA -0.734 61.781 62.300 0.357 0.000 0.857 978 V CB 1.445 33.427 31.823 0.265 0.000 0.985 978 V HN 0.559 nan 8.190 nan 0.000 0.443 979 L N 4.860 126.290 121.223 0.345 0.000 2.313 979 L HA 0.556 4.895 4.340 -0.001 0.000 0.283 979 L C -0.760 176.306 176.870 0.327 0.000 1.013 979 L CA -0.332 54.706 54.840 0.330 0.000 0.816 979 L CB 1.481 43.738 42.059 0.330 0.000 1.236 979 L HN 0.784 nan 8.230 nan 0.000 0.419 980 H N 4.186 123.406 119.070 0.250 0.000 2.529 980 H HA 0.453 5.009 4.556 -0.001 0.000 0.348 980 H C -0.893 174.520 175.328 0.141 0.000 1.079 980 H CA -0.543 55.622 56.048 0.195 0.000 1.198 980 H CB 1.508 31.453 29.762 0.306 0.000 1.521 980 H HN 0.490 nan 8.280 nan 0.000 0.514 981 R N 4.291 124.432 120.500 -0.599 0.000 2.393 981 R HA 0.295 4.635 4.340 -0.001 0.000 0.315 981 R C -0.398 175.482 176.300 -0.700 0.000 0.952 981 R CA -0.477 55.357 56.100 -0.444 0.000 0.842 981 R CB 1.382 31.550 30.300 -0.219 0.000 1.163 981 R HN 0.782 nan 8.270 nan 0.000 0.450 982 T N 1.508 115.810 114.554 -0.419 0.000 2.793 982 T HA 0.183 4.533 4.350 -0.001 0.000 0.299 982 T C -0.488 174.035 174.700 -0.295 0.000 1.038 982 T CA -0.402 61.533 62.100 -0.275 0.000 0.948 982 T CB 0.589 69.374 68.868 -0.138 0.000 1.231 982 T HN 0.672 nan 8.240 nan 0.000 0.538 983 N N 0.475 119.023 118.700 -0.252 0.000 2.399 983 N HA 0.482 5.221 4.740 -0.001 0.000 0.284 983 N C -1.500 173.847 175.510 -0.272 0.000 1.025 983 N CA -0.501 52.343 53.050 -0.342 0.000 0.885 983 N CB 0.726 38.857 38.487 -0.593 0.000 1.339 983 N HN 0.471 nan 8.380 nan 0.000 0.487 984 L N 2.688 123.750 121.223 -0.269 0.000 2.331 984 L HA 0.547 4.886 4.340 -0.001 0.000 0.275 984 L C 0.456 177.201 176.870 -0.207 0.000 1.022 984 L CA -0.970 53.746 54.840 -0.207 0.000 0.812 984 L CB 1.651 43.598 42.059 -0.186 0.000 1.257 984 L HN 0.390 nan 8.230 nan 0.000 0.435 985 M N 2.100 121.597 119.600 -0.172 0.000 2.245 985 M HA 0.101 4.580 4.480 -0.001 0.000 0.344 985 M C -0.181 176.032 176.300 -0.145 0.000 1.170 985 M CA -0.132 55.070 55.300 -0.164 0.000 1.135 985 M CB 0.479 32.988 32.600 -0.151 0.000 1.574 985 M HN 0.459 nan 8.290 nan 0.000 0.452 986 Q N 1.983 121.702 119.800 -0.135 0.000 2.307 986 Q HA 0.184 4.524 4.340 -0.001 0.000 0.259 986 Q C -0.249 175.693 176.000 -0.097 0.000 0.998 986 Q CA 0.114 55.850 55.803 -0.111 0.000 0.923 986 Q CB 0.865 29.541 28.738 -0.103 0.000 1.196 986 Q HN 0.800 nan 8.270 nan 0.000 0.416 987 c N 0.722 119.267 118.600 -0.090 0.000 3.098 987 c HA 0.393 4.963 4.570 -0.001 0.000 0.265 987 c C 1.279 175.328 174.090 -0.068 0.000 1.572 987 c CA 0.015 56.295 56.329 -0.081 0.000 1.788 987 c CB -0.320 42.136 42.510 -0.089 0.000 2.982 987 c HN 1.022 nan 8.230 nan 0.000 0.532 988 G N 1.190 109.950 108.800 -0.066 0.000 2.179 988 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.220 988 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.220 988 G C 0.009 174.875 174.900 -0.057 0.000 0.990 988 G CA 0.268 45.334 45.100 -0.057 0.000 0.646 988 G HN 0.432 nan 8.290 nan 0.000 0.517 989 T N 2.158 116.674 114.554 -0.063 0.000 2.780 989 T HA 0.467 4.817 4.350 -0.001 0.000 0.294 989 T C -0.552 174.106 174.700 -0.070 0.000 0.949 989 T CA -0.501 61.561 62.100 -0.063 0.000 1.074 989 T CB 1.804 70.632 68.868 -0.066 0.000 0.910 989 T HN -0.005 nan 8.240 nan 0.000 0.501 990 P HA -0.121 nan 4.420 nan 0.000 0.217 990 P C 0.027 177.267 177.300 -0.101 0.000 1.148 990 P CA 0.591 63.644 63.100 -0.078 0.000 0.828 990 P CB -0.112 31.544 31.700 -0.075 0.000 0.783 991 E N 0.409 120.544 120.200 -0.108 0.000 0.669 991 E HA -0.219 4.130 4.350 -0.001 0.000 0.361 991 E C 0.283 176.790 176.600 -0.155 0.000 0.875 991 E CA 0.666 56.990 56.400 -0.127 0.000 1.363 991 E CB -0.219 29.422 29.700 -0.099 0.000 0.339 991 E HN 0.422 nan 8.360 nan 0.000 0.363 992 E N 1.362 121.414 120.200 -0.247 0.000 3.489 992 E HA 0.103 4.452 4.350 -0.001 0.000 0.155 992 E C 0.008 176.426 176.600 -0.303 0.000 0.892 992 E CA -0.619 55.601 56.400 -0.300 0.000 0.997 992 E CB -0.125 29.335 29.700 -0.399 0.000 1.900 992 E HN 0.681 nan 8.360 nan 0.000 0.372 993 H N 1.744 120.808 119.070 -0.009 0.000 3.211 993 H HA 0.001 4.556 4.556 -0.001 0.000 0.246 993 H C -0.068 175.269 175.328 0.014 0.000 0.802 993 H CA 0.705 56.753 56.048 -0.001 0.000 1.421 993 H CB -1.124 28.635 29.762 -0.005 0.000 1.432 993 H HN 0.289 nan 8.280 nan 0.000 0.503 994 T N 1.104 115.737 114.554 0.131 0.000 2.838 994 T HA 0.483 4.833 4.350 -0.001 0.000 0.292 994 T C -0.455 174.301 174.700 0.093 0.000 1.113 994 T CA -1.204 60.968 62.100 0.120 0.000 1.008 994 T CB 2.580 71.497 68.868 0.082 0.000 1.259 994 T HN 0.681 nan 8.240 nan 0.000 0.520 995 Q N 0.389 120.246 119.800 0.094 0.000 2.306 995 Q HA 0.476 4.816 4.340 -0.001 0.000 0.265 995 Q C -0.610 175.420 176.000 0.051 0.000 1.022 995 Q CA -1.043 54.801 55.803 0.068 0.000 0.853 995 Q CB 2.188 30.972 28.738 0.077 0.000 1.327 995 Q HN 0.690 nan 8.270 nan 0.000 0.449 996 K N 1.630 122.047 120.400 0.027 0.000 2.401 996 K HA 0.146 4.466 4.320 -0.001 0.000 0.278 996 K C -1.042 175.564 176.600 0.010 0.000 1.018 996 K CA -0.331 55.964 56.287 0.012 0.000 0.981 996 K CB 0.401 32.898 32.500 -0.006 0.000 0.933 996 K HN 0.448 nan 8.250 nan 0.000 0.477 997 L N 4.471 125.697 121.223 0.005 0.000 2.265 997 L HA 0.303 4.643 4.340 -0.001 0.000 0.289 997 L C -1.240 175.597 176.870 -0.055 0.000 1.033 997 L CA -0.057 54.777 54.840 -0.010 0.000 0.814 997 L CB 1.259 43.324 42.059 0.010 0.000 1.203 997 L HN 0.670 nan 8.230 nan 0.000 0.423 998 D N 3.567 123.927 120.400 -0.068 0.000 2.460 998 D HA 0.163 4.802 4.640 -0.001 0.000 0.232 998 D C 1.045 177.247 176.300 -0.163 0.000 1.079 998 D CA -0.292 53.645 54.000 -0.106 0.000 0.864 998 D CB 1.274 42.060 40.800 -0.023 0.000 1.048 998 D HN 0.389 nan 8.370 nan 0.000 0.523 999 V N 1.397 121.116 119.914 -0.324 0.000 2.720 999 V HA -0.157 3.963 4.120 -0.001 0.000 0.256 999 V C 2.090 177.869 176.094 -0.525 0.000 1.082 999 V CA 0.983 62.919 62.300 -0.606 0.000 1.101 999 V CB -1.064 30.114 31.823 -1.075 0.000 0.693 999 V HN 0.607 nan 8.190 nan 0.000 0.479 1000 c N 0.578 118.997 118.600 -0.301 0.000 2.449 1000 c HA 0.037 4.607 4.570 -0.001 0.000 0.283 1000 c C 2.078 176.034 174.090 -0.223 0.000 1.453 1000 c CA 1.188 57.397 56.329 -0.200 0.000 1.779 1000 c CB -1.812 40.568 42.510 -0.216 0.000 1.779 1000 c HN 0.768 nan 8.230 nan 0.000 0.546 1001 H N -1.047 117.995 119.070 -0.046 0.000 2.542 1001 H HA 0.265 4.820 4.556 -0.001 0.000 0.283 1001 H C 1.691 177.051 175.328 0.053 0.000 1.059 1001 H CA -0.027 56.036 56.048 0.024 0.000 1.162 1001 H CB 0.095 29.854 29.762 -0.005 0.000 1.539 1001 H HN 0.337 nan 8.280 nan 0.000 0.543 1002 L N -0.070 121.209 121.223 0.093 0.000 2.217 1002 L HA 0.003 4.342 4.340 -0.001 0.000 0.211 1002 L C 0.150 177.167 176.870 0.244 0.000 1.107 1002 L CA 0.833 55.758 54.840 0.142 0.000 0.783 1002 L CB 0.144 42.253 42.059 0.082 0.000 0.919 1002 L HN 0.210 nan 8.230 nan 0.000 0.442 1003 L N -0.049 121.286 121.223 0.187 0.000 2.331 1003 L HA 0.407 4.746 4.340 -0.001 0.000 0.275 1003 L C -2.090 174.861 176.870 0.134 0.000 1.022 1003 L CA -1.966 52.927 54.840 0.087 0.000 0.812 1003 L CB 1.632 43.523 42.059 -0.281 0.000 1.257 1003 L HN -0.205 nan 8.230 nan 0.000 0.435 1004 P HA 0.152 nan 4.420 nan 0.000 0.276 1004 P C -0.927 176.504 177.300 0.218 0.000 1.261 1004 P CA -0.313 62.875 63.100 0.147 0.000 0.800 1004 P CB 0.448 32.206 31.700 0.097 0.000 1.066 1005 N N -3.061 115.741 118.700 0.169 0.000 2.758 1005 N HA -0.145 4.594 4.740 -0.001 0.000 0.248 1005 N C -0.028 175.561 175.510 0.133 0.000 1.076 1005 N CA 0.034 53.170 53.050 0.143 0.000 0.696 1005 N CB -1.831 36.731 38.487 0.125 0.000 0.979 1005 N HN 0.259 nan 8.380 nan 0.000 0.550 1006 V N 0.035 119.977 119.914 0.048 0.000 2.572 1006 V HA 0.442 4.561 4.120 -0.001 0.000 0.291 1006 V C 1.149 177.146 176.094 -0.163 0.000 1.039 1006 V CA 1.033 63.190 62.300 -0.238 0.000 1.055 1006 V CB 1.266 32.855 31.823 -0.390 0.000 0.969 1006 V HN 0.420 nan 8.190 nan 0.000 0.482 1007 A N 6.991 129.693 122.820 -0.197 0.000 2.192 1007 A HA 0.483 4.802 4.320 -0.001 0.000 0.208 1007 A C 0.974 178.522 177.584 -0.060 0.000 1.220 1007 A CA 0.038 52.023 52.037 -0.088 0.000 0.900 1007 A CB 0.246 19.210 19.000 -0.061 0.000 0.937 1007 A HN 0.773 nan 8.150 nan 0.000 0.487 1008 R N -1.687 118.749 120.500 -0.107 0.000 2.634 1008 R HA 0.481 4.820 4.340 -0.001 0.000 0.263 1008 R C -2.315 173.958 176.300 -0.044 0.000 1.060 1008 R CA -0.343 55.756 56.100 -0.003 0.000 0.898 1008 R CB 1.496 31.809 30.300 0.022 0.000 1.253 1008 R HN 0.293 nan 8.270 nan 0.000 0.461 1009 c N 2.979 121.603 118.600 0.039 0.000 2.431 1009 c HA 0.635 5.204 4.570 -0.001 0.000 0.321 1009 c C -1.279 172.903 174.090 0.154 0.000 1.202 1009 c CA -0.302 56.050 56.329 0.039 0.000 1.398 1009 c CB 1.313 43.802 42.510 -0.035 0.000 2.047 1009 c HN 0.769 nan 8.230 nan 0.000 0.465 1010 E N 3.427 123.739 120.200 0.187 0.000 2.266 1010 E HA 0.368 4.717 4.350 -0.001 0.000 0.268 1010 E C -0.891 175.879 176.600 0.283 0.000 0.879 1010 E CA -0.574 55.955 56.400 0.214 0.000 0.762 1010 E CB 2.287 32.072 29.700 0.141 0.000 1.199 1010 E HN 0.733 nan 8.360 nan 0.000 0.422 1011 R N 1.071 121.724 120.500 0.254 0.000 2.390 1011 R HA 0.320 4.659 4.340 -0.001 0.000 0.291 1011 R C -0.096 176.236 176.300 0.054 0.000 1.070 1011 R CA 0.134 56.308 56.100 0.123 0.000 1.014 1011 R CB 0.560 30.907 30.300 0.078 0.000 1.007 1011 R HN 0.658 nan 8.270 nan 0.000 0.466 1012 T N -0.250 114.312 114.554 0.012 0.000 2.888 1012 T HA 0.360 4.709 4.350 -0.001 0.000 0.288 1012 T C 0.096 174.782 174.700 -0.025 0.000 1.063 1012 T CA -0.760 61.365 62.100 0.042 0.000 1.010 1012 T CB 1.348 70.309 68.868 0.156 0.000 1.214 1012 T HN 0.618 nan 8.240 nan 0.000 0.533 1013 T N 0.179 114.721 114.554 -0.019 0.000 2.791 1013 T HA 0.201 4.550 4.350 -0.001 0.000 0.323 1013 T C 1.605 176.226 174.700 -0.131 0.000 1.082 1013 T CA -0.675 61.391 62.100 -0.058 0.000 1.084 1013 T CB -0.074 68.775 68.868 -0.031 0.000 0.992 1013 T HN 0.564 nan 8.240 nan 0.000 0.547 1014 L N 1.062 122.190 121.223 -0.159 0.000 2.362 1014 L HA -0.033 4.306 4.340 -0.001 0.000 0.219 1014 L C 2.825 179.400 176.870 -0.493 0.000 1.134 1014 L CA 1.391 56.068 54.840 -0.272 0.000 0.807 1014 L CB -1.038 40.942 42.059 -0.133 0.000 0.927 1014 L HN 0.982 nan 8.230 nan 0.000 0.447 1015 T N -4.931 109.436 114.554 -0.312 0.000 3.129 1015 T HA 0.010 4.360 4.350 -0.001 0.000 0.251 1015 T C 0.744 175.326 174.700 -0.197 0.000 1.117 1015 T CA -0.229 61.716 62.100 -0.258 0.000 1.034 1015 T CB -0.145 68.699 68.868 -0.040 0.000 0.968 1015 T HN 0.203 nan 8.240 nan 0.000 0.526 1016 F N -0.797 119.164 119.950 0.017 0.000 2.914 1016 F HA -0.193 4.334 4.527 -0.001 0.000 0.304 1016 F C 1.019 176.818 175.800 -0.002 0.000 0.712 1016 F CA -0.074 57.929 58.000 0.005 0.000 1.211 1016 F CB -2.345 36.654 39.000 -0.001 0.000 1.515 1016 F HN 0.247 nan 8.300 nan 0.000 0.350 1017 L N -0.927 120.366 121.223 0.116 0.000 2.509 1017 L HA 0.098 4.437 4.340 -0.001 0.000 0.222 1017 L C 1.080 177.971 176.870 0.035 0.000 1.123 1017 L CA 0.881 55.761 54.840 0.066 0.000 0.856 1017 L CB 0.148 42.230 42.059 0.037 0.000 0.985 1017 L HN 0.354 nan 8.230 nan 0.000 0.456 1018 Q N 0.399 120.219 119.800 0.033 0.000 2.305 1018 Q HA 0.283 4.622 4.340 -0.001 0.000 0.271 1018 Q C -1.198 174.817 176.000 0.026 0.000 1.046 1018 Q CA -0.723 55.088 55.803 0.013 0.000 0.798 1018 Q CB 1.966 30.698 28.738 -0.010 0.000 1.286 1018 Q HN 0.070 nan 8.270 nan 0.000 0.435 1019 N N 4.210 122.922 118.700 0.021 0.000 2.458 1019 N HA 0.217 4.956 4.740 -0.001 0.000 0.270 1019 N C 0.228 175.752 175.510 0.023 0.000 1.102 1019 N CA 0.161 53.230 53.050 0.031 0.000 0.967 1019 N CB 1.128 39.627 38.487 0.019 0.000 1.078 1019 N HN 0.641 nan 8.380 nan 0.000 0.471 1020 L N 0.399 121.641 121.223 0.032 0.000 2.575 1020 L HA 0.320 4.660 4.340 -0.001 0.000 0.228 1020 L C 0.555 177.452 176.870 0.045 0.000 1.075 1020 L CA 0.354 55.208 54.840 0.024 0.000 0.867 1020 L CB 0.372 42.435 42.059 0.007 0.000 1.097 1020 L HN 0.513 nan 8.230 nan 0.000 0.485 1021 E N -0.339 119.907 120.200 0.077 0.000 2.347 1021 E HA 0.134 4.484 4.350 -0.001 0.000 0.285 1021 E C -1.368 175.334 176.600 0.170 0.000 0.925 1021 E CA -0.526 55.938 56.400 0.107 0.000 0.779 1021 E CB 1.549 31.308 29.700 0.097 0.000 1.233 1021 E HN 0.108 nan 8.360 nan 0.000 0.414 1022 H N 5.626 124.721 119.070 0.042 0.000 2.562 1022 H HA 0.345 4.901 4.556 -0.001 0.000 0.314 1022 H C -0.709 174.644 175.328 0.041 0.000 1.079 1022 H CA -0.587 55.483 56.048 0.037 0.000 1.349 1022 H CB 0.728 30.503 29.762 0.021 0.000 1.432 1022 H HN 0.354 nan 8.280 nan 0.000 0.479 1023 L N 5.178 126.393 121.223 -0.014 0.000 2.275 1023 L HA 0.125 4.465 4.340 -0.001 0.000 0.288 1023 L C 0.010 176.774 176.870 -0.176 0.000 1.046 1023 L CA -0.930 53.872 54.840 -0.063 0.000 0.805 1023 L CB 1.183 43.254 42.059 0.019 0.000 1.193 1023 L HN 0.672 nan 8.230 nan 0.000 0.426 1024 D N 2.562 122.882 120.400 -0.133 0.000 2.488 1024 D HA 0.170 4.809 4.640 -0.001 0.000 0.238 1024 D C 1.196 177.451 176.300 -0.075 0.000 1.138 1024 D CA 1.310 55.237 54.000 -0.120 0.000 0.873 1024 D CB 1.015 41.773 40.800 -0.070 0.000 1.183 1024 D HN 0.818 nan 8.370 nan 0.000 0.458 1025 G N 2.789 111.550 108.800 -0.065 0.000 2.180 1025 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.263 1025 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.263 1025 G C 0.758 175.686 174.900 0.046 0.000 0.989 1025 G CA 0.507 45.601 45.100 -0.011 0.000 0.692 1025 G HN 0.660 nan 8.290 nan 0.000 0.526 1026 M N -2.804 116.790 119.600 -0.010 0.000 2.576 1026 M HA -0.193 4.286 4.480 -0.001 0.000 0.200 1026 M C 0.149 176.472 176.300 0.037 0.000 0.487 1026 M CA 0.909 56.199 55.300 -0.016 0.000 0.553 1026 M CB -1.774 30.793 32.600 -0.055 0.000 2.042 1026 M HN 0.207 nan 8.290 nan 0.000 0.758 1027 V N 0.638 120.567 119.914 0.026 0.000 2.435 1027 V HA 0.753 4.872 4.120 -0.001 0.000 0.290 1027 V C 0.564 176.583 176.094 -0.125 0.000 1.030 1027 V CA -0.331 61.973 62.300 0.006 0.000 0.881 1027 V CB 1.823 33.645 31.823 -0.002 0.000 0.983 1027 V HN 0.363 nan 8.190 nan 0.000 0.445 1028 A N 7.661 130.320 122.820 -0.267 0.000 2.252 1028 A HA 0.787 5.106 4.320 -0.001 0.000 0.309 1028 A C -2.523 174.785 177.584 -0.459 0.000 1.285 1028 A CA -1.533 50.111 52.037 -0.656 0.000 0.900 1028 A CB 0.280 18.575 19.000 -1.175 0.000 1.157 1028 A HN 0.631 nan 8.150 nan 0.000 0.536 1029 P HA 0.220 nan 4.420 nan 0.000 0.274 1029 P C -0.130 177.170 177.300 0.001 0.000 1.231 1029 P CA -0.225 62.835 63.100 -0.067 0.000 0.790 1029 P CB 0.613 32.333 31.700 0.033 0.000 0.951 1030 E N -0.127 120.083 120.200 0.016 0.000 2.392 1030 E HA 0.251 4.600 4.350 -0.001 0.000 0.256 1030 E C 0.060 176.716 176.600 0.092 0.000 1.145 1030 E CA -0.778 55.658 56.400 0.060 0.000 0.929 1030 E CB 0.460 30.176 29.700 0.027 0.000 0.998 1030 E HN 0.283 nan 8.360 nan 0.000 0.442 1031 V N -1.451 118.519 119.914 0.093 0.000 2.973 1031 V HA 0.361 4.481 4.120 -0.001 0.000 0.314 1031 V C 0.132 176.230 176.094 0.005 0.000 1.066 1031 V CA -1.103 61.237 62.300 0.067 0.000 1.021 1031 V CB 1.254 33.121 31.823 0.073 0.000 1.076 1031 V HN 0.739 nan 8.190 nan 0.000 0.462 1032 c N 2.512 121.109 118.600 -0.005 0.000 2.580 1032 c HA 0.454 5.023 4.570 -0.001 0.000 0.371 1032 c C -2.087 171.945 174.090 -0.098 0.000 1.308 1032 c CA -0.361 55.945 56.329 -0.038 0.000 2.428 1032 c CB 0.038 42.542 42.510 -0.011 0.000 2.529 1032 c HN 0.819 nan 8.230 nan 0.000 0.657 1033 P HA 0.044 nan 4.420 nan 0.000 0.265 1033 P C 0.260 177.399 177.300 -0.268 0.000 1.193 1033 P CA 0.869 63.828 63.100 -0.234 0.000 0.765 1033 P CB 0.176 31.720 31.700 -0.260 0.000 0.823 1034 M N -1.376 118.007 119.600 -0.361 0.000 2.908 1034 M HA -0.187 4.293 4.480 -0.001 0.000 0.191 1034 M C -0.122 176.147 176.300 -0.052 0.000 0.619 1034 M CA 1.393 56.456 55.300 -0.394 0.000 0.709 1034 M CB -2.069 29.979 32.600 -0.920 0.000 2.554 1034 M HN 0.429 nan 8.290 nan 0.000 0.356 1035 E N 0.341 120.514 120.200 -0.045 0.000 2.227 1035 E HA 0.706 5.056 4.350 -0.001 0.000 0.268 1035 E C 0.041 176.698 176.600 0.095 0.000 0.990 1035 E CA -0.109 56.354 56.400 0.104 0.000 0.856 1035 E CB 1.501 31.233 29.700 0.053 0.000 1.159 1035 E HN 0.140 nan 8.360 nan 0.000 0.401 1036 T N 0.537 115.173 114.554 0.137 0.000 2.881 1036 T HA 0.684 5.034 4.350 -0.001 0.000 0.290 1036 T C -0.830 173.879 174.700 0.015 0.000 1.000 1036 T CA -0.659 61.528 62.100 0.144 0.000 0.978 1036 T CB 1.591 70.556 68.868 0.161 0.000 0.997 1036 T HN 0.510 nan 8.240 nan 0.000 0.443 1037 A N 1.940 124.769 122.820 0.015 0.000 2.479 1037 A HA 1.012 5.332 4.320 -0.001 0.000 0.296 1037 A C -0.989 176.487 177.584 -0.180 0.000 1.121 1037 A CA -0.946 51.001 52.037 -0.151 0.000 0.743 1037 A CB 1.525 20.380 19.000 -0.242 0.000 1.323 1037 A HN 1.121 nan 8.150 nan 0.000 0.415 1038 A N 0.101 122.727 122.820 -0.324 0.000 2.386 1038 A HA 0.829 5.149 4.320 -0.001 0.000 0.311 1038 A C -1.640 175.766 177.584 -0.295 0.000 1.068 1038 A CA -0.354 51.610 52.037 -0.121 0.000 0.743 1038 A CB 0.821 19.791 19.000 -0.049 0.000 1.258 1038 A HN 0.868 nan 8.150 nan 0.000 0.429 1039 Y N -0.060 120.454 120.300 0.358 0.000 2.524 1039 Y HA 0.570 5.120 4.550 -0.001 0.000 0.347 1039 Y C -0.322 175.745 175.900 0.278 0.000 1.005 1039 Y CA -0.877 57.384 58.100 0.269 0.000 1.025 1039 Y CB 2.519 41.098 38.460 0.198 0.000 1.275 1039 Y HN 0.424 nan 8.280 nan 0.000 0.460 1040 V N 2.464 122.575 119.914 0.329 0.000 2.444 1040 V HA 0.503 4.622 4.120 -0.001 0.000 0.294 1040 V C -0.646 175.528 176.094 0.134 0.000 1.022 1040 V CA -0.913 61.472 62.300 0.142 0.000 0.850 1040 V CB 1.758 33.603 31.823 0.037 0.000 0.992 1040 V HN 0.824 nan 8.190 nan 0.000 0.426 1041 S N 3.525 119.309 115.700 0.140 0.000 2.489 1041 S HA 0.726 5.195 4.470 -0.001 0.000 0.291 1041 S C -0.236 174.307 174.600 -0.095 0.000 1.151 1041 S CA -0.578 57.630 58.200 0.014 0.000 1.082 1041 S CB 1.630 64.907 63.200 0.129 0.000 1.019 1041 S HN 0.554 nan 8.310 nan 0.000 0.492 1042 S N 2.350 117.873 115.700 -0.294 0.000 2.501 1042 S HA 0.544 5.013 4.470 -0.001 0.000 0.301 1042 S C -0.925 173.373 174.600 -0.504 0.000 1.096 1042 S CA -0.760 57.307 58.200 -0.222 0.000 1.063 1042 S CB 0.547 63.681 63.200 -0.110 0.000 1.042 1042 S HN 0.791 nan 8.310 nan 0.000 0.494 1043 H N 0.828 119.888 119.070 -0.017 0.000 2.679 1043 H HA 0.439 4.994 4.556 -0.001 0.000 0.360 1043 H C -0.377 174.947 175.328 -0.006 0.000 1.105 1043 H CA -0.595 55.446 56.048 -0.011 0.000 1.196 1043 H CB 1.868 31.626 29.762 -0.008 0.000 1.636 1043 H HN 0.654 nan 8.280 nan 0.000 0.531 1044 S N 0.000 115.754 115.700 0.089 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.233 58.200 0.055 0.000 1.107 1044 S CB 0.000 63.218 63.200 0.030 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517