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 3bvu_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIAPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.102 174.090 0.019 0.000 1.270 31 c CA 0.000 56.335 56.329 0.010 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.012 0.000 2.134 32 Q N 1.362 121.189 119.800 0.045 0.000 2.392 32 Q HA 0.166 4.505 4.340 -0.001 0.000 0.262 32 Q C -0.240 175.789 176.000 0.049 0.000 1.003 32 Q CA 0.278 56.121 55.803 0.068 0.000 0.888 32 Q CB 0.850 29.664 28.738 0.127 0.000 1.260 32 Q HN 0.650 nan 8.270 nan 0.000 0.435 33 D N 1.683 122.113 120.400 0.050 0.000 2.325 33 D HA 0.060 4.699 4.640 -0.001 0.000 0.251 33 D C 0.480 176.826 176.300 0.077 0.000 1.196 33 D CA -0.160 53.852 54.000 0.020 0.000 0.866 33 D CB 1.344 42.155 40.800 0.018 0.000 1.101 33 D HN 0.398 nan 8.370 nan 0.000 0.476 34 V N 2.200 122.111 119.914 -0.005 0.000 3.647 34 V HA 0.086 4.206 4.120 -0.001 0.000 0.279 34 V C 1.099 177.229 176.094 0.060 0.000 1.314 34 V CA 0.128 62.476 62.300 0.081 0.000 1.125 34 V CB 0.268 31.955 31.823 -0.228 0.000 0.907 34 V HN 0.385 nan 8.190 nan 0.000 0.434 35 V N -0.019 119.854 119.914 -0.069 0.000 2.806 35 V HA 0.099 4.219 4.120 -0.001 0.000 0.239 35 V C 2.317 178.387 176.094 -0.039 0.000 1.113 35 V CA 1.283 63.498 62.300 -0.141 0.000 1.137 35 V CB 0.040 31.734 31.823 -0.215 0.000 0.865 35 V HN 0.471 nan 8.190 nan 0.000 0.482 36 Q N -0.343 119.483 119.800 0.043 0.000 2.384 36 Q HA 0.126 4.466 4.340 -0.001 0.000 0.207 36 Q C -0.462 175.619 176.000 0.136 0.000 0.904 36 Q CA 0.297 56.142 55.803 0.070 0.000 0.933 36 Q CB 0.631 29.386 28.738 0.028 0.000 1.077 36 Q HN 0.513 nan 8.270 nan 0.000 0.522 37 D N 1.140 121.651 120.400 0.186 0.000 2.381 37 D HA 0.194 4.834 4.640 -0.001 0.000 0.235 37 D C -0.707 175.712 176.300 0.198 0.000 1.068 37 D CA -0.267 53.829 54.000 0.161 0.000 0.832 37 D CB 2.381 43.252 40.800 0.118 0.000 1.101 37 D HN -0.180 nan 8.370 nan 0.000 0.515 38 V N 4.446 124.440 119.914 0.133 0.000 2.455 38 V HA 0.167 4.287 4.120 -0.001 0.000 0.273 38 V C -1.855 174.220 176.094 -0.031 0.000 1.045 38 V CA -1.227 61.077 62.300 0.006 0.000 0.976 38 V CB 0.634 32.467 31.823 0.016 0.000 0.993 38 V HN 0.327 nan 8.190 nan 0.000 0.475 39 P HA 0.097 nan 4.420 nan 0.000 0.269 39 P C -0.454 176.819 177.300 -0.044 0.000 1.209 39 P CA -0.177 62.895 63.100 -0.048 0.000 0.776 39 P CB 0.350 32.004 31.700 -0.076 0.000 0.876 40 N N 2.484 121.173 118.700 -0.019 0.000 2.500 40 N HA 0.312 5.052 4.740 -0.001 0.000 0.236 40 N C -1.061 174.441 175.510 -0.013 0.000 1.022 40 N CA -0.420 52.621 53.050 -0.014 0.000 0.935 40 N CB 0.001 38.488 38.487 -0.000 0.000 1.147 40 N HN 0.115 nan 8.380 nan 0.000 0.512 41 V N 0.405 120.304 119.914 -0.025 0.000 2.960 41 V HA 0.541 4.660 4.120 -0.001 0.000 0.315 41 V C 0.650 176.730 176.094 -0.023 0.000 1.087 41 V CA -0.733 61.555 62.300 -0.020 0.000 0.982 41 V CB 2.029 33.830 31.823 -0.038 0.000 1.039 41 V HN 0.352 nan 8.190 nan 0.000 0.437 42 D N 1.082 121.475 120.400 -0.012 0.000 2.144 42 D HA 0.009 4.649 4.640 -0.001 0.000 0.200 42 D C 0.531 176.802 176.300 -0.050 0.000 0.978 42 D CA 1.598 55.588 54.000 -0.017 0.000 0.833 42 D CB 0.387 41.193 40.800 0.010 0.000 0.961 42 D HN 0.432 nan 8.370 nan 0.000 0.470 43 V N 1.553 121.416 119.914 -0.085 0.000 2.443 43 V HA 0.215 4.335 4.120 -0.001 0.000 0.293 43 V C -0.309 175.690 176.094 -0.158 0.000 1.021 43 V CA -0.742 61.477 62.300 -0.135 0.000 0.848 43 V CB 2.326 34.026 31.823 -0.205 0.000 0.998 43 V HN -0.076 nan 8.190 nan 0.000 0.424 44 Q N 4.542 124.260 119.800 -0.136 0.000 2.341 44 Q HA 0.441 4.781 4.340 -0.001 0.000 0.268 44 Q C 0.407 176.311 176.000 -0.160 0.000 1.013 44 Q CA -0.676 55.039 55.803 -0.146 0.000 0.798 44 Q CB 1.894 30.567 28.738 -0.107 0.000 1.253 44 Q HN 0.669 nan 8.270 nan 0.000 0.457 45 M N 3.012 122.471 119.600 -0.235 0.000 2.213 45 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 45 M C 1.612 177.809 176.300 -0.173 0.000 1.062 45 M CA 0.902 56.049 55.300 -0.255 0.000 1.105 45 M CB -0.757 31.558 32.600 -0.474 0.000 1.385 45 M HN 0.560 nan 8.290 nan 0.000 0.417 46 L N 0.750 121.868 121.223 -0.175 0.000 2.056 46 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 46 L C 2.495 179.359 176.870 -0.010 0.000 1.078 46 L CA 1.822 56.592 54.840 -0.116 0.000 0.749 46 L CB -0.656 41.311 42.059 -0.154 0.000 0.901 46 L HN 0.266 nan 8.230 nan 0.000 0.433 47 E N -0.368 119.812 120.200 -0.033 0.000 2.077 47 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 47 E C 2.197 178.809 176.600 0.020 0.000 0.989 47 E CA 1.503 57.898 56.400 -0.010 0.000 0.800 47 E CB -0.305 29.374 29.700 -0.035 0.000 0.746 47 E HN 0.439 nan 8.360 nan 0.000 0.452 48 L N 0.462 121.696 121.223 0.018 0.000 2.046 48 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 48 L C 2.266 179.201 176.870 0.109 0.000 1.077 48 L CA 1.632 56.489 54.840 0.028 0.000 0.747 48 L CB -0.979 41.084 42.059 0.006 0.000 0.896 48 L HN 0.127 nan 8.230 nan 0.000 0.432 49 Y N -0.066 120.234 120.300 0.000 0.000 2.207 49 Y HA -0.264 4.285 4.550 -0.001 0.000 0.287 49 Y C 2.566 178.560 175.900 0.156 0.000 1.156 49 Y CA 1.822 60.010 58.100 0.146 0.000 1.182 49 Y CB -0.621 37.930 38.460 0.151 0.000 0.979 49 Y HN 0.353 nan 8.280 nan 0.000 0.521 50 D N -0.576 119.937 120.400 0.189 0.000 2.178 50 D HA -0.115 4.525 4.640 -0.001 0.000 0.202 50 D C 1.958 178.299 176.300 0.069 0.000 0.974 50 D CA 1.200 55.264 54.000 0.108 0.000 0.841 50 D CB 0.077 40.914 40.800 0.063 0.000 0.953 50 D HN 0.288 nan 8.370 nan 0.000 0.478 51 R N -1.007 119.515 120.500 0.037 0.000 2.140 51 R HA 0.202 4.541 4.340 -0.001 0.000 0.213 51 R C 0.909 177.186 176.300 -0.038 0.000 1.059 51 R CA 0.052 56.149 56.100 -0.006 0.000 1.000 51 R CB 0.003 30.286 30.300 -0.028 0.000 0.910 51 R HN 0.190 nan 8.270 nan 0.000 0.455 52 M N 1.067 120.613 119.600 -0.091 0.000 2.248 52 M HA -0.035 4.445 4.480 -0.001 0.000 0.337 52 M C 1.191 177.431 176.300 -0.099 0.000 1.121 52 M CA 0.278 55.428 55.300 -0.251 0.000 1.155 52 M CB 1.320 33.484 32.600 -0.727 0.000 1.514 52 M HN 0.091 nan 8.290 nan 0.000 0.452 53 S N 1.165 116.795 115.700 -0.117 0.000 2.517 53 S HA 0.115 4.585 4.470 -0.001 0.000 0.214 53 S C 0.563 175.266 174.600 0.172 0.000 0.991 53 S CA -0.307 57.921 58.200 0.047 0.000 0.906 53 S CB -0.180 63.025 63.200 0.008 0.000 0.789 53 S HN 0.765 nan 8.310 nan 0.000 0.513 54 F N 0.951 120.832 119.950 -0.117 0.000 3.093 54 F HA -0.154 4.373 4.527 -0.001 0.000 0.287 54 F C 0.237 176.048 175.800 0.018 0.000 0.882 54 F CA 0.328 58.267 58.000 -0.102 0.000 1.063 54 F CB -1.894 37.021 39.000 -0.142 0.000 1.097 54 F HN 0.110 nan 8.300 nan 0.000 0.604 55 K N 0.973 121.451 120.400 0.131 0.000 2.270 55 K HA 0.213 4.532 4.320 -0.001 0.000 0.276 55 K C 0.256 176.965 176.600 0.183 0.000 1.023 55 K CA -0.249 56.120 56.287 0.135 0.000 0.955 55 K CB 0.716 33.257 32.500 0.068 0.000 0.975 55 K HN 0.073 nan 8.250 nan 0.000 0.471 56 D N 3.411 123.927 120.400 0.194 0.000 2.540 56 D HA 0.169 4.809 4.640 -0.001 0.000 0.251 56 D C -0.188 176.157 176.300 0.075 0.000 1.159 56 D CA -0.483 53.638 54.000 0.200 0.000 0.974 56 D CB -0.445 40.485 40.800 0.216 0.000 0.996 56 D HN 0.483 nan 8.370 nan 0.000 0.512 57 I N -1.472 119.130 120.570 0.053 0.000 2.577 57 I HA 0.514 4.684 4.170 -0.001 0.000 0.305 57 I C -0.010 176.098 176.117 -0.015 0.000 0.986 57 I CA -0.938 60.371 61.300 0.015 0.000 1.189 57 I CB 1.601 39.609 38.000 0.014 0.000 1.355 57 I HN -0.120 nan 8.210 nan 0.000 0.476 58 D N 3.955 124.345 120.400 -0.017 0.000 2.346 58 D HA 0.173 4.812 4.640 -0.001 0.000 0.260 58 D C 1.026 177.315 176.300 -0.019 0.000 1.252 58 D CA 0.113 54.098 54.000 -0.025 0.000 0.895 58 D CB 1.443 42.235 40.800 -0.013 0.000 1.097 58 D HN 0.816 nan 8.370 nan 0.000 0.489 59 G N 2.467 111.241 108.800 -0.044 0.000 2.920 59 G HA2 0.394 4.354 3.960 -0.001 0.000 0.208 59 G HA3 0.394 4.354 3.960 -0.001 0.000 0.208 59 G C 0.913 175.817 174.900 0.007 0.000 1.159 59 G CA 0.419 45.494 45.100 -0.041 0.000 0.784 59 G HN 0.926 nan 8.290 nan 0.000 0.535 60 G N -0.644 108.165 108.800 0.014 0.000 2.464 60 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.216 60 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.216 60 G C 1.182 176.107 174.900 0.041 0.000 1.186 60 G CA 0.760 45.880 45.100 0.033 0.000 1.010 60 G HN 1.116 nan 8.290 nan 0.000 0.585 61 V N -3.547 116.390 119.914 0.038 0.000 2.407 61 V HA 0.082 4.201 4.120 -0.001 0.000 0.248 61 V C 1.461 177.589 176.094 0.057 0.000 1.055 61 V CA 2.411 64.718 62.300 0.010 0.000 1.049 61 V CB -0.568 31.226 31.823 -0.048 0.000 0.662 61 V HN 1.431 nan 8.190 nan 0.000 0.455 62 W N 2.640 123.853 121.300 -0.145 0.000 2.365 62 W HA 0.429 5.088 4.660 -0.001 0.000 0.371 62 W C 1.157 177.645 176.519 -0.051 0.000 1.006 62 W CA -1.739 55.516 57.345 -0.150 0.000 1.528 62 W CB 0.196 29.531 29.460 -0.209 0.000 1.497 62 W HN 0.040 nan 8.180 nan 0.000 0.367 63 K N 2.631 123.127 120.400 0.160 0.000 2.147 63 K HA -0.169 4.150 4.320 -0.001 0.000 0.205 63 K C 0.916 177.445 176.600 -0.118 0.000 1.049 63 K CA 1.453 57.741 56.287 0.001 0.000 0.936 63 K CB 0.142 32.637 32.500 -0.009 0.000 0.722 63 K HN 0.572 nan 8.250 nan 0.000 0.446 64 Q N -0.742 118.948 119.800 -0.184 0.000 2.198 64 Q HA 0.153 4.492 4.340 -0.001 0.000 0.209 64 Q C 0.838 176.487 176.000 -0.585 0.000 0.848 64 Q CA -0.286 55.387 55.803 -0.217 0.000 0.974 64 Q CB 1.245 29.993 28.738 0.017 0.000 1.115 64 Q HN 0.214 nan 8.270 nan 0.000 0.494 65 G N 0.627 108.665 108.800 -1.270 0.000 3.407 65 G HA2 0.520 4.480 3.960 -0.001 0.000 0.187 65 G HA3 0.520 4.480 3.960 -0.001 0.000 0.187 65 G C -1.442 173.160 174.900 -0.497 0.000 1.262 65 G CA -0.330 43.729 45.100 -1.735 0.000 0.808 65 G HN 0.353 nan 8.290 nan 0.000 0.687 66 W N -1.328 119.685 121.300 -0.478 0.000 3.025 66 W HA 0.627 5.287 4.660 -0.000 0.000 0.343 66 W C -1.486 175.119 176.519 0.144 0.000 1.246 66 W CA -1.182 56.109 57.345 -0.091 0.000 1.178 66 W CB 0.663 30.080 29.460 -0.071 0.000 1.463 66 W HN 0.192 nan 8.180 nan 0.000 0.578 67 N N 2.252 121.096 118.700 0.240 0.000 2.402 67 N HA 0.210 4.949 4.740 -0.001 0.000 0.259 67 N C -0.264 175.371 175.510 0.210 0.000 1.167 67 N CA 0.054 53.200 53.050 0.160 0.000 0.949 67 N CB 0.320 38.905 38.487 0.163 0.000 1.212 67 N HN 0.413 nan 8.380 nan 0.000 0.493 68 I N 2.446 123.042 120.570 0.043 0.000 2.588 68 I HA 0.011 4.180 4.170 -0.001 0.000 0.283 68 I C 0.712 176.981 176.117 0.252 0.000 1.119 68 I CA 0.102 61.503 61.300 0.168 0.000 1.419 68 I CB 0.446 38.491 38.000 0.075 0.000 1.394 68 I HN 0.045 nan 8.210 nan 0.000 0.562 69 K N 6.637 127.221 120.400 0.307 0.000 2.259 69 K HA 0.535 4.854 4.320 -0.001 0.000 0.249 69 K C -1.015 175.745 176.600 0.268 0.000 0.942 69 K CA -0.749 55.654 56.287 0.192 0.000 0.816 69 K CB 2.272 34.850 32.500 0.129 0.000 1.155 69 K HN 0.545 nan 8.250 nan 0.000 0.428 70 Y N -2.110 118.278 120.300 0.148 0.000 2.553 70 Y HA 0.441 4.990 4.550 -0.001 0.000 0.347 70 Y C -0.738 175.231 175.900 0.115 0.000 1.019 70 Y CA -1.437 56.750 58.100 0.145 0.000 1.032 70 Y CB 1.338 39.909 38.460 0.185 0.000 1.284 70 Y HN 0.415 nan 8.280 nan 0.000 0.466 71 D N 4.412 124.941 120.400 0.216 0.000 2.316 71 D HA 0.266 4.905 4.640 -0.001 0.000 0.245 71 D C -1.663 174.781 176.300 0.240 0.000 1.171 71 D CA -2.731 51.343 54.000 0.123 0.000 0.856 71 D CB 1.568 42.416 40.800 0.080 0.000 1.090 71 D HN 0.447 nan 8.370 nan 0.000 0.476 72 P HA -0.100 nan 4.420 nan 0.000 0.222 72 P C 1.349 178.793 177.300 0.240 0.000 1.147 72 P CA 0.644 63.944 63.100 0.333 0.000 0.790 72 P CB 0.335 32.168 31.700 0.222 0.000 0.780 73 L N -0.428 120.877 121.223 0.137 0.000 2.610 73 L HA 0.064 4.404 4.340 -0.001 0.000 0.232 73 L C 2.632 179.530 176.870 0.046 0.000 1.149 73 L CA 0.433 55.331 54.840 0.096 0.000 0.872 73 L CB -0.738 41.359 42.059 0.062 0.000 0.992 73 L HN -0.017 nan 8.230 nan 0.000 0.447 74 K N 0.732 121.119 120.400 -0.022 0.000 2.097 74 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 74 K C -0.060 176.373 176.600 -0.279 0.000 1.049 74 K CA 1.136 57.284 56.287 -0.231 0.000 0.933 74 K CB 0.077 32.307 32.500 -0.450 0.000 0.717 74 K HN 0.146 nan 8.250 nan 0.000 0.442 75 Y N 0.647 121.063 120.300 0.193 0.000 2.420 75 Y HA 0.278 4.828 4.550 -0.000 0.000 0.334 75 Y C 0.067 176.043 175.900 0.128 0.000 1.094 75 Y CA -1.111 57.093 58.100 0.172 0.000 1.126 75 Y CB 1.381 39.898 38.460 0.096 0.000 1.217 75 Y HN 0.246 nan 8.280 nan 0.000 0.462 76 N N -0.747 118.109 118.700 0.259 0.000 3.277 76 N HA 0.487 5.226 4.740 -0.001 0.000 0.278 76 N C -0.101 175.434 175.510 0.041 0.000 1.544 76 N CA -0.457 52.670 53.050 0.129 0.000 0.869 76 N CB 0.405 38.959 38.487 0.113 0.000 1.584 76 N HN 0.519 nan 8.380 nan 0.000 0.564 77 A N -1.320 121.433 122.820 -0.111 0.000 2.024 77 A HA -0.161 4.159 4.320 -0.001 0.000 0.220 77 A C 0.936 178.313 177.584 -0.346 0.000 1.164 77 A CA 1.316 53.192 52.037 -0.269 0.000 0.643 77 A CB -1.018 17.732 19.000 -0.416 0.000 0.806 77 A HN 0.681 nan 8.150 nan 0.000 0.451 78 H N -2.857 116.273 119.070 0.100 0.000 2.551 78 H HA 0.146 4.702 4.556 -0.001 0.000 0.271 78 H C -0.363 175.073 175.328 0.179 0.000 0.984 78 H CA 0.683 56.794 56.048 0.106 0.000 1.164 78 H CB 0.157 29.971 29.762 0.086 0.000 1.437 78 H HN 0.696 nan 8.280 nan 0.000 0.550 79 H N 0.572 119.720 119.070 0.131 0.000 2.699 79 H HA 0.298 4.854 4.556 -0.000 0.000 0.256 79 H C -0.708 174.735 175.328 0.192 0.000 1.376 79 H CA -0.445 55.689 56.048 0.144 0.000 1.549 79 H CB 0.247 30.087 29.762 0.131 0.000 1.686 79 H HN -0.051 nan 8.280 nan 0.000 0.550 80 K N 2.081 122.431 120.400 -0.083 0.000 2.095 80 K HA 0.339 4.659 4.320 -0.001 0.000 0.252 80 K C -0.756 175.718 176.600 -0.209 0.000 0.977 80 K CA -1.309 54.926 56.287 -0.086 0.000 0.900 80 K CB 1.855 34.293 32.500 -0.104 0.000 1.060 80 K HN 0.216 nan 8.250 nan 0.000 0.449 81 L N 2.187 123.210 121.223 -0.335 0.000 2.281 81 L HA 0.223 4.563 4.340 -0.001 0.000 0.285 81 L C -0.683 175.981 176.870 -0.344 0.000 1.074 81 L CA -0.094 54.490 54.840 -0.425 0.000 0.817 81 L CB 0.446 42.045 42.059 -0.767 0.000 1.168 81 L HN 0.349 nan 8.230 nan 0.000 0.434 82 K N 4.085 124.299 120.400 -0.310 0.000 2.240 82 K HA 0.577 4.896 4.320 -0.001 0.000 0.271 82 K C -1.567 174.718 176.600 -0.525 0.000 1.018 82 K CA -0.385 55.656 56.287 -0.409 0.000 0.874 82 K CB 1.082 33.395 32.500 -0.311 0.000 1.098 82 K HN 0.428 nan 8.250 nan 0.000 0.458 83 V N 5.880 125.359 119.914 -0.725 0.000 2.409 83 V HA 0.476 4.595 4.120 -0.001 0.000 0.291 83 V C -0.925 174.622 176.094 -0.912 0.000 1.020 83 V CA -0.719 61.102 62.300 -0.798 0.000 0.848 83 V CB 0.827 32.009 31.823 -1.068 0.000 0.990 83 V HN 0.582 nan 8.190 nan 0.000 0.430 84 F N 3.665 123.373 119.950 -0.403 0.000 2.361 84 F HA 0.493 5.019 4.527 -0.001 0.000 0.364 84 F C 0.195 175.817 175.800 -0.297 0.000 1.117 84 F CA -0.704 57.111 58.000 -0.307 0.000 1.071 84 F CB 1.713 40.600 39.000 -0.188 0.000 1.188 84 F HN 0.187 nan 8.300 nan 0.000 0.464 85 V N 5.082 124.954 119.914 -0.071 0.000 2.385 85 V HA 0.281 4.400 4.120 -0.001 0.000 0.269 85 V C -0.173 176.016 176.094 0.158 0.000 1.043 85 V CA -0.582 61.742 62.300 0.040 0.000 0.906 85 V CB 1.215 33.128 31.823 0.149 0.000 0.995 85 V HN 0.431 nan 8.190 nan 0.000 0.467 86 V N 8.407 128.366 119.914 0.075 0.000 2.284 86 V HA 0.313 4.432 4.120 -0.001 0.000 0.274 86 V C -2.376 173.748 176.094 0.049 0.000 1.023 86 V CA -1.910 60.396 62.300 0.010 0.000 0.808 86 V CB 1.423 33.162 31.823 -0.141 0.000 1.035 86 V HN 0.722 nan 8.190 nan 0.000 0.445 87 P HA 0.334 nan 4.420 nan 0.000 0.271 87 P C -0.846 176.437 177.300 -0.028 0.000 1.216 87 P CA 0.254 63.324 63.100 -0.049 0.000 0.771 87 P CB 0.366 31.858 31.700 -0.345 0.000 0.864 88 H N -1.154 117.896 119.070 -0.033 0.000 2.990 88 H HA 0.795 5.351 4.556 -0.001 0.000 0.336 88 H C -1.482 173.943 175.328 0.163 0.000 1.306 88 H CA -1.127 54.811 56.048 -0.183 0.000 1.118 88 H CB 0.995 30.601 29.762 -0.260 0.000 1.856 88 H HN 0.196 nan 8.280 nan 0.000 0.538 89 S N 0.653 116.367 115.700 0.023 0.000 2.750 89 S HA 0.207 4.676 4.470 -0.001 0.000 0.276 89 S C -1.834 172.705 174.600 -0.102 0.000 1.165 89 S CA -0.662 57.598 58.200 0.101 0.000 1.047 89 S CB 0.156 63.594 63.200 0.397 0.000 1.056 89 S HN 0.841 nan 8.310 nan 0.000 0.481 90 H N 4.399 123.386 119.070 -0.139 0.000 2.800 90 H HA 0.431 4.987 4.556 -0.001 0.000 0.291 90 H C -0.123 174.831 175.328 -0.624 0.000 1.076 90 H CA 0.287 56.170 56.048 -0.276 0.000 1.452 90 H CB 0.282 29.940 29.762 -0.173 0.000 1.461 90 H HN 0.557 nan 8.280 nan 0.000 0.488 91 N N 5.450 123.506 118.700 -1.074 0.000 2.564 91 N HA 0.056 4.796 4.740 -0.001 0.000 0.248 91 N C -1.199 173.855 175.510 -0.759 0.000 0.986 91 N CA -0.633 51.657 53.050 -1.268 0.000 0.921 91 N CB 1.099 39.119 38.487 -0.779 0.000 1.136 91 N HN 0.655 nan 8.380 nan 0.000 0.509 92 D N 2.715 122.726 120.400 -0.648 0.000 2.371 92 D HA 0.107 4.746 4.640 -0.001 0.000 0.256 92 D C -2.060 174.291 176.300 0.085 0.000 1.193 92 D CA -0.927 52.957 54.000 -0.194 0.000 0.881 92 D CB 1.385 42.340 40.800 0.258 0.000 1.143 92 D HN 0.205 nan 8.370 nan 0.000 0.473 93 P HA 0.204 nan 4.420 nan 0.000 0.230 93 P C 0.017 177.509 177.300 0.319 0.000 1.791 93 P CA -0.068 63.036 63.100 0.006 0.000 1.020 93 P CB 0.225 31.794 31.700 -0.218 0.000 1.977 94 G N 0.510 109.679 108.800 0.615 0.000 2.907 94 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.686 94 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.686 94 G C -1.019 174.410 174.900 0.882 0.000 1.115 94 G CA -0.560 44.931 45.100 0.651 0.000 0.760 94 G HN 0.369 nan 8.290 nan 0.000 0.620 95 W N 2.156 123.789 121.300 0.554 0.000 4.511 95 W HA 0.254 4.913 4.660 -0.001 0.000 0.159 95 W C 0.945 177.637 176.519 0.288 0.000 3.471 95 W CA 0.918 58.558 57.345 0.492 0.000 1.173 95 W CB -0.782 29.053 29.460 0.624 0.000 2.090 95 W HN 0.539 nan 8.180 nan 0.000 0.393 96 I N 2.153 122.727 120.570 0.007 0.000 3.427 96 I HA 0.130 4.299 4.170 -0.001 0.000 0.288 96 I C 0.420 176.392 176.117 -0.242 0.000 1.249 96 I CA 1.066 62.194 61.300 -0.288 0.000 1.421 96 I CB -1.129 36.629 38.000 -0.404 0.000 1.086 96 I HN 0.006 nan 8.210 nan 0.000 0.448 97 Q N 0.438 119.939 119.800 -0.497 0.000 2.458 97 Q HA 0.362 4.701 4.340 -0.001 0.000 0.282 97 Q C 0.139 175.895 176.000 -0.406 0.000 1.106 97 Q CA -0.395 55.055 55.803 -0.588 0.000 0.814 97 Q CB 2.254 30.311 28.738 -1.135 0.000 1.425 97 Q HN 0.260 nan 8.270 nan 0.000 0.437 98 T N -2.314 112.117 114.554 -0.204 0.000 2.766 98 T HA 0.153 4.502 4.350 -0.001 0.000 0.295 98 T C 1.084 175.905 174.700 0.200 0.000 1.024 98 T CA -0.430 61.643 62.100 -0.045 0.000 1.018 98 T CB 0.264 69.135 68.868 0.005 0.000 1.002 98 T HN 0.519 nan 8.240 nan 0.000 0.532 99 F N 1.212 121.261 119.950 0.165 0.000 2.063 99 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 99 F C 2.481 178.512 175.800 0.385 0.000 1.109 99 F CA 2.403 60.578 58.000 0.292 0.000 1.212 99 F CB -0.353 38.701 39.000 0.091 0.000 0.973 99 F HN 0.793 nan 8.300 nan 0.000 0.480 100 E N 0.318 120.771 120.200 0.422 0.000 2.106 100 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 100 E C 2.004 178.765 176.600 0.269 0.000 0.984 100 E CA 1.670 58.280 56.400 0.350 0.000 0.806 100 E CB -0.271 29.618 29.700 0.315 0.000 0.750 100 E HN 0.614 nan 8.360 nan 0.000 0.458 101 E N -0.997 119.312 120.200 0.181 0.000 2.051 101 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 101 E C 1.793 178.465 176.600 0.121 0.000 0.991 101 E CA 1.147 57.603 56.400 0.094 0.000 0.799 101 E CB -0.238 29.448 29.700 -0.022 0.000 0.748 101 E HN 0.338 nan 8.360 nan 0.000 0.449 102 Y N -0.477 119.888 120.300 0.108 0.000 2.224 102 Y HA -0.250 4.300 4.550 -0.001 0.000 0.289 102 Y C 2.182 178.103 175.900 0.035 0.000 1.146 102 Y CA 1.137 59.256 58.100 0.031 0.000 1.182 102 Y CB -0.743 37.795 38.460 0.130 0.000 0.983 102 Y HN 0.191 nan 8.280 nan 0.000 0.524 103 Y N 0.886 121.279 120.300 0.157 0.000 2.128 103 Y HA -0.299 4.251 4.550 -0.001 0.000 0.284 103 Y C 2.307 178.235 175.900 0.047 0.000 1.154 103 Y CA 2.010 60.134 58.100 0.039 0.000 1.149 103 Y CB -0.377 38.094 38.460 0.018 0.000 0.976 103 Y HN 0.047 nan 8.280 nan 0.000 0.505 104 Q N -0.978 118.829 119.800 0.012 0.000 2.119 104 Q HA -0.207 4.133 4.340 -0.001 0.000 0.201 104 Q C 2.289 178.297 176.000 0.014 0.000 0.972 104 Q CA 1.817 57.587 55.803 -0.054 0.000 0.847 104 Q CB -0.664 28.144 28.738 0.117 0.000 0.903 104 Q HN 0.683 nan 8.270 nan 0.000 0.433 105 H N -0.424 118.657 119.070 0.018 0.000 2.465 105 H HA 0.014 4.570 4.556 -0.001 0.000 0.289 105 H C 0.480 175.902 175.328 0.157 0.000 1.022 105 H CA 0.912 57.009 56.048 0.081 0.000 1.340 105 H CB 0.921 30.698 29.762 0.025 0.000 1.437 105 H HN 0.212 nan 8.280 nan 0.000 0.539 106 D N -1.449 119.029 120.400 0.130 0.000 3.081 106 D HA 0.012 4.652 4.640 -0.001 0.000 0.243 106 D C 1.634 177.981 176.300 0.078 0.000 1.388 106 D CA 0.318 54.390 54.000 0.121 0.000 1.245 106 D CB 0.281 41.104 40.800 0.038 0.000 1.319 106 D HN 0.134 nan 8.370 nan 0.000 0.377 107 T N 2.482 117.017 114.554 -0.031 0.000 2.867 107 T HA -0.126 4.223 4.350 -0.001 0.000 0.268 107 T C 1.932 176.473 174.700 -0.266 0.000 1.057 107 T CA 1.280 63.324 62.100 -0.093 0.000 1.136 107 T CB -0.035 68.629 68.868 -0.339 0.000 0.874 107 T HN 0.233 nan 8.240 nan 0.000 0.466 108 K N 0.793 120.849 120.400 -0.573 0.000 2.148 108 K HA -0.139 4.181 4.320 -0.001 0.000 0.204 108 K C 1.911 178.254 176.600 -0.427 0.000 1.050 108 K CA 1.360 57.288 56.287 -0.600 0.000 0.942 108 K CB -0.367 31.564 32.500 -0.949 0.000 0.724 108 K HN 0.384 nan 8.250 nan 0.000 0.446 109 H N 1.035 120.015 119.070 -0.151 0.000 2.395 109 H HA 0.057 4.613 4.556 -0.001 0.000 0.299 109 H C 2.280 177.595 175.328 -0.021 0.000 1.070 109 H CA 1.367 57.377 56.048 -0.063 0.000 1.356 109 H CB -0.151 29.580 29.762 -0.052 0.000 1.401 109 H HN 0.187 nan 8.280 nan 0.000 0.524 110 I N 0.743 121.386 120.570 0.121 0.000 2.163 110 I HA -0.279 3.890 4.170 -0.001 0.000 0.243 110 I C 2.436 178.566 176.117 0.021 0.000 1.085 110 I CA 1.175 62.595 61.300 0.201 0.000 1.347 110 I CB -0.270 37.920 38.000 0.317 0.000 1.044 110 I HN 0.098 nan 8.210 nan 0.000 0.408 111 L N -0.442 120.577 121.223 -0.340 0.000 2.109 111 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 111 L C 2.658 179.182 176.870 -0.576 0.000 1.086 111 L CA 0.948 55.340 54.840 -0.746 0.000 0.760 111 L CB -0.442 40.620 42.059 -1.661 0.000 0.910 111 L HN 0.163 nan 8.230 nan 0.000 0.437 112 S N 0.002 115.499 115.700 -0.338 0.000 2.368 112 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 112 S C 1.715 176.275 174.600 -0.067 0.000 1.030 112 S CA 1.222 59.438 58.200 0.028 0.000 0.999 112 S CB -0.235 63.039 63.200 0.123 0.000 0.844 112 S HN 0.447 nan 8.310 nan 0.000 0.459 113 N N 1.579 120.222 118.700 -0.096 0.000 2.300 113 N HA 0.118 4.857 4.740 -0.001 0.000 0.179 113 N C 1.765 176.887 175.510 -0.648 0.000 1.016 113 N CA 0.985 53.893 53.050 -0.236 0.000 0.876 113 N CB -0.512 37.947 38.487 -0.048 0.000 0.979 113 N HN 0.384 nan 8.380 nan 0.000 0.432 114 A N 1.221 123.735 122.820 -0.510 0.000 1.902 114 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 114 A C 2.208 179.496 177.584 -0.494 0.000 1.181 114 A CA 0.997 52.577 52.037 -0.761 0.000 0.623 114 A CB -0.733 18.108 19.000 -0.265 0.000 0.818 114 A HN 0.231 nan 8.150 nan 0.000 0.443 115 L N 0.155 121.235 121.223 -0.239 0.000 2.012 115 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 115 L C 2.503 179.295 176.870 -0.129 0.000 1.073 115 L CA 2.645 57.427 54.840 -0.097 0.000 0.748 115 L CB -0.668 41.404 42.059 0.023 0.000 0.891 115 L HN 0.518 nan 8.230 nan 0.000 0.431 116 R N -1.809 118.587 120.500 -0.174 0.000 2.073 116 R HA -0.213 4.127 4.340 -0.001 0.000 0.234 116 R C 2.512 178.710 176.300 -0.169 0.000 1.134 116 R CA 1.653 57.673 56.100 -0.132 0.000 0.952 116 R CB -0.692 29.537 30.300 -0.119 0.000 0.850 116 R HN 0.576 nan 8.270 nan 0.000 0.433 117 H N 0.465 119.241 119.070 -0.491 0.000 2.389 117 H HA -0.049 4.507 4.556 -0.001 0.000 0.299 117 H C 2.159 177.271 175.328 -0.360 0.000 1.081 117 H CA 1.785 57.526 56.048 -0.512 0.000 1.345 117 H CB 0.161 29.343 29.762 -0.967 0.000 1.393 117 H HN 0.233 nan 8.280 nan 0.000 0.520 118 L N -0.559 120.487 121.223 -0.295 0.000 2.056 118 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 118 L C 2.666 179.488 176.870 -0.080 0.000 1.078 118 L CA 1.344 56.094 54.840 -0.149 0.000 0.749 118 L CB -0.639 41.353 42.059 -0.111 0.000 0.901 118 L HN 0.302 nan 8.230 nan 0.000 0.433 119 H N 0.489 119.477 119.070 -0.137 0.000 2.319 119 H HA -0.228 4.327 4.556 -0.001 0.000 0.297 119 H C 1.606 176.871 175.328 -0.105 0.000 1.097 119 H CA 2.226 58.218 56.048 -0.093 0.000 1.285 119 H CB 0.038 29.753 29.762 -0.080 0.000 1.368 119 H HN 0.227 nan 8.280 nan 0.000 0.495 120 D N -0.466 119.842 120.400 -0.154 0.000 2.347 120 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 120 D C -0.229 175.941 176.300 -0.216 0.000 0.985 120 D CA 0.441 54.315 54.000 -0.210 0.000 0.879 120 D CB 0.083 40.782 40.800 -0.170 0.000 0.919 120 D HN 0.394 nan 8.370 nan 0.000 0.526 121 N N 0.633 119.212 118.700 -0.202 0.000 2.716 121 N HA 0.147 4.887 4.740 -0.001 0.000 0.253 121 N C -2.200 173.276 175.510 -0.057 0.000 1.170 121 N CA -1.050 51.926 53.050 -0.124 0.000 0.807 121 N CB 2.344 40.748 38.487 -0.138 0.000 1.183 121 N HN -0.130 nan 8.380 nan 0.000 0.524 122 P HA -0.087 nan 4.420 nan 0.000 0.221 122 P C 0.931 178.250 177.300 0.031 0.000 1.145 122 P CA 1.156 64.241 63.100 -0.024 0.000 0.795 122 P CB 0.548 32.230 31.700 -0.031 0.000 0.775 123 E N -1.649 118.599 120.200 0.081 0.000 2.442 123 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 123 E C 0.796 177.527 176.600 0.218 0.000 1.030 123 E CA 0.084 56.578 56.400 0.157 0.000 0.869 123 E CB -0.300 29.523 29.700 0.206 0.000 0.857 123 E HN 0.254 nan 8.360 nan 0.000 0.505 124 M N 1.694 121.361 119.600 0.112 0.000 2.243 124 M HA 0.078 4.558 4.480 -0.001 0.000 0.341 124 M C -0.320 175.966 176.300 -0.024 0.000 1.130 124 M CA 0.262 55.529 55.300 -0.053 0.000 1.162 124 M CB 0.450 33.023 32.600 -0.044 0.000 1.497 124 M HN -0.349 nan 8.290 nan 0.000 0.456 125 K N 3.295 123.646 120.400 -0.082 0.000 2.444 125 K HA 0.653 4.972 4.320 -0.001 0.000 0.252 125 K C -1.711 174.928 176.600 0.065 0.000 0.993 125 K CA -0.516 55.778 56.287 0.012 0.000 0.847 125 K CB 2.242 34.771 32.500 0.049 0.000 1.340 125 K HN 0.662 nan 8.250 nan 0.000 0.446 126 F N 1.550 121.416 119.950 -0.140 0.000 2.654 126 F HA 0.422 4.949 4.527 -0.001 0.000 0.314 126 F C -1.402 174.291 175.800 -0.179 0.000 1.116 126 F CA -1.293 56.610 58.000 -0.163 0.000 1.017 126 F CB 1.032 40.016 39.000 -0.027 0.000 1.285 126 F HN 0.464 nan 8.300 nan 0.000 0.448 127 I N 1.891 122.109 120.570 -0.587 0.000 2.562 127 I HA 0.593 4.763 4.170 -0.001 0.000 0.301 127 I C -1.684 174.001 176.117 -0.721 0.000 1.003 127 I CA -0.588 60.337 61.300 -0.625 0.000 1.127 127 I CB 2.450 40.026 38.000 -0.707 0.000 1.304 127 I HN 0.695 nan 8.210 nan 0.000 0.446 128 W N 4.780 125.688 121.300 -0.654 0.000 2.781 128 W HA 0.625 5.284 4.660 -0.001 0.000 0.333 128 W C -0.695 175.743 176.519 -0.135 0.000 1.047 128 W CA -0.556 56.540 57.345 -0.416 0.000 1.236 128 W CB 2.643 31.906 29.460 -0.329 0.000 1.394 128 W HN 0.802 nan 8.180 nan 0.000 0.466 129 A N 3.553 126.023 122.820 -0.582 0.000 1.984 129 A HA 0.146 4.466 4.320 -0.001 0.000 0.203 129 A C 0.019 177.555 177.584 -0.081 0.000 1.292 129 A CA 0.536 52.460 52.037 -0.189 0.000 0.782 129 A CB 0.006 18.944 19.000 -0.103 0.000 0.924 129 A HN 0.510 nan 8.150 nan 0.000 0.475 130 E N 1.011 121.045 120.200 -0.276 0.000 2.001 130 E HA 0.309 4.658 4.350 -0.001 0.000 0.279 130 E C 0.438 177.197 176.600 0.264 0.000 1.045 130 E CA -0.283 56.125 56.400 0.013 0.000 0.833 130 E CB 0.750 30.442 29.700 -0.013 0.000 1.077 130 E HN 0.278 nan 8.360 nan 0.000 0.397 131 I N 1.477 122.104 120.570 0.096 0.000 2.546 131 I HA -0.202 3.967 4.170 -0.001 0.000 0.255 131 I C 2.006 177.787 176.117 -0.560 0.000 1.163 131 I CA 0.921 62.203 61.300 -0.029 0.000 1.457 131 I CB -1.400 36.633 38.000 0.055 0.000 1.092 131 I HN 0.423 nan 8.210 nan 0.000 0.434 132 S N 1.265 116.323 115.700 -1.069 0.000 2.372 132 S HA -0.284 4.185 4.470 -0.001 0.000 0.227 132 S C 2.147 176.463 174.600 -0.473 0.000 1.044 132 S CA 1.427 58.652 58.200 -1.624 0.000 1.050 132 S CB -1.087 61.193 63.200 -1.533 0.000 0.901 132 S HN 0.370 nan 8.310 nan 0.000 0.447 133 Y N 0.605 120.925 120.300 0.035 0.000 2.200 133 Y HA 0.134 4.684 4.550 -0.001 0.000 0.290 133 Y C 2.246 178.204 175.900 0.097 0.000 1.137 133 Y CA 0.409 58.623 58.100 0.190 0.000 1.163 133 Y CB -0.976 37.694 38.460 0.349 0.000 0.988 133 Y HN 0.333 nan 8.280 nan 0.000 0.518 134 F N 0.018 120.041 119.950 0.122 0.000 2.134 134 F HA -0.180 4.346 4.527 -0.001 0.000 0.299 134 F C 2.346 177.975 175.800 -0.285 0.000 1.097 134 F CA 1.300 59.245 58.000 -0.092 0.000 1.264 134 F CB -0.464 38.476 39.000 -0.100 0.000 1.001 134 F HN -0.014 nan 8.300 nan 0.000 0.479 135 A N 0.189 122.654 122.820 -0.591 0.000 1.902 135 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 135 A C 2.146 179.635 177.584 -0.157 0.000 1.181 135 A CA 1.779 53.322 52.037 -0.824 0.000 0.623 135 A CB -0.766 17.630 19.000 -1.007 0.000 0.818 135 A HN 0.388 nan 8.150 nan 0.000 0.443 136 R N -0.981 119.460 120.500 -0.099 0.000 2.091 136 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 136 R C 1.740 177.989 176.300 -0.085 0.000 1.136 136 R CA 2.100 58.149 56.100 -0.085 0.000 0.959 136 R CB -0.863 29.333 30.300 -0.173 0.000 0.856 136 R HN 0.500 nan 8.270 nan 0.000 0.437 137 F N -0.255 119.609 119.950 -0.143 0.000 2.098 137 F HA -0.103 4.424 4.527 -0.001 0.000 0.294 137 F C 2.001 177.729 175.800 -0.121 0.000 1.107 137 F CA 1.608 59.586 58.000 -0.038 0.000 1.234 137 F CB -0.847 38.064 39.000 -0.148 0.000 1.002 137 F HN 0.144 nan 8.300 nan 0.000 0.472 138 Y N 0.179 120.255 120.300 -0.374 0.000 2.165 138 Y HA -0.276 4.274 4.550 -0.001 0.000 0.286 138 Y C 2.575 178.281 175.900 -0.324 0.000 1.155 138 Y CA 2.300 60.154 58.100 -0.409 0.000 1.164 138 Y CB -0.815 37.532 38.460 -0.188 0.000 0.978 138 Y HN 0.132 nan 8.280 nan 0.000 0.513 139 H N -0.539 118.520 119.070 -0.017 0.000 2.524 139 H HA -0.052 4.504 4.556 -0.001 0.000 0.282 139 H C 0.886 176.100 175.328 -0.191 0.000 1.016 139 H CA 1.326 57.318 56.048 -0.093 0.000 1.270 139 H CB -0.044 29.747 29.762 0.049 0.000 1.394 139 H HN 0.478 nan 8.280 nan 0.000 0.568 140 D N 0.064 120.379 120.400 -0.142 0.000 2.339 140 D HA 0.075 4.714 4.640 -0.001 0.000 0.217 140 D C 0.582 176.710 176.300 -0.286 0.000 1.050 140 D CA 0.058 53.959 54.000 -0.165 0.000 0.856 140 D CB 0.374 41.112 40.800 -0.103 0.000 0.922 140 D HN 0.209 nan 8.370 nan 0.000 0.518 141 L N 0.488 121.447 121.223 -0.441 0.000 2.417 141 L HA 0.342 4.681 4.340 -0.001 0.000 0.268 141 L C 1.421 178.113 176.870 -0.297 0.000 1.158 141 L CA -0.624 53.958 54.840 -0.430 0.000 0.819 141 L CB 0.966 42.705 42.059 -0.533 0.000 1.112 141 L HN -0.046 nan 8.230 nan 0.000 0.458 142 G N 0.572 109.244 108.800 -0.213 0.000 2.606 142 G HA2 0.038 3.998 3.960 -0.001 0.000 0.252 142 G HA3 0.038 3.998 3.960 -0.001 0.000 0.252 142 G C 0.657 175.465 174.900 -0.153 0.000 1.206 142 G CA -0.263 44.747 45.100 -0.149 0.000 0.861 142 G HN 0.775 nan 8.290 nan 0.000 0.561 143 E N 0.119 120.256 120.200 -0.105 0.000 2.110 143 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 143 E C 2.118 178.681 176.600 -0.062 0.000 0.988 143 E CA 1.552 57.905 56.400 -0.078 0.000 0.804 143 E CB -0.204 29.473 29.700 -0.040 0.000 0.745 143 E HN 0.561 nan 8.360 nan 0.000 0.458 144 N N 0.129 118.792 118.700 -0.061 0.000 2.120 144 N HA -0.164 4.575 4.740 -0.001 0.000 0.188 144 N C 1.425 176.898 175.510 -0.061 0.000 1.024 144 N CA 1.255 54.274 53.050 -0.051 0.000 0.852 144 N CB 0.018 38.473 38.487 -0.054 0.000 1.003 144 N HN 0.053 nan 8.380 nan 0.000 0.424 145 K N 1.189 121.536 120.400 -0.088 0.000 2.155 145 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 145 K C 1.954 178.524 176.600 -0.051 0.000 1.052 145 K CA 0.536 56.772 56.287 -0.085 0.000 0.948 145 K CB -0.072 32.358 32.500 -0.116 0.000 0.728 145 K HN 0.315 nan 8.250 nan 0.000 0.448 146 K N 0.809 121.152 120.400 -0.095 0.000 2.057 146 K HA -0.061 4.259 4.320 -0.001 0.000 0.207 146 K C 2.244 178.908 176.600 0.108 0.000 1.049 146 K CA 1.007 57.273 56.287 -0.034 0.000 0.931 146 K CB -0.175 32.219 32.500 -0.176 0.000 0.714 146 K HN 0.046 nan 8.250 nan 0.000 0.440 147 L N 1.058 122.315 121.223 0.057 0.000 2.056 147 L HA -0.217 4.123 4.340 -0.001 0.000 0.207 147 L C 2.527 179.446 176.870 0.082 0.000 1.078 147 L CA 1.300 56.186 54.840 0.077 0.000 0.749 147 L CB -0.404 41.680 42.059 0.042 0.000 0.901 147 L HN 0.249 nan 8.230 nan 0.000 0.433 148 Q N -0.852 118.973 119.800 0.043 0.000 2.124 148 Q HA -0.260 4.080 4.340 -0.001 0.000 0.202 148 Q C 2.193 178.259 176.000 0.111 0.000 0.977 148 Q CA 1.671 57.499 55.803 0.041 0.000 0.850 148 Q CB -0.188 28.503 28.738 -0.077 0.000 0.901 148 Q HN 0.372 nan 8.270 nan 0.000 0.429 149 M N 1.121 120.814 119.600 0.154 0.000 2.099 149 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 149 M C 1.598 178.060 176.300 0.271 0.000 1.067 149 M CA 1.749 57.202 55.300 0.255 0.000 1.124 149 M CB 0.060 32.886 32.600 0.377 0.000 1.353 149 M HN -0.109 nan 8.290 nan 0.000 0.410 150 K N -0.951 119.604 120.400 0.258 0.000 2.103 150 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 150 K C 2.278 178.971 176.600 0.155 0.000 1.048 150 K CA 1.627 58.045 56.287 0.219 0.000 0.930 150 K CB -0.459 32.154 32.500 0.188 0.000 0.716 150 K HN 0.424 nan 8.250 nan 0.000 0.444 151 S N 1.509 117.288 115.700 0.133 0.000 2.368 151 S HA -0.090 4.379 4.470 -0.001 0.000 0.224 151 S C 1.949 176.607 174.600 0.097 0.000 1.029 151 S CA 1.067 59.329 58.200 0.104 0.000 0.988 151 S CB -0.259 63.003 63.200 0.103 0.000 0.838 151 S HN 0.395 nan 8.310 nan 0.000 0.462 152 I N -0.807 119.829 120.570 0.110 0.000 2.830 152 I HA 0.051 4.221 4.170 -0.001 0.000 0.263 152 I C 1.803 177.955 176.117 0.060 0.000 1.230 152 I CA 0.676 62.024 61.300 0.079 0.000 1.480 152 I CB -0.323 37.725 38.000 0.079 0.000 1.095 152 I HN 0.103 nan 8.210 nan 0.000 0.455 153 V N 1.563 121.531 119.914 0.089 0.000 2.346 153 V HA -0.173 3.947 4.120 -0.001 0.000 0.244 153 V C 2.682 178.814 176.094 0.064 0.000 1.037 153 V CA 2.009 64.353 62.300 0.073 0.000 1.029 153 V CB -0.641 31.288 31.823 0.176 0.000 0.663 153 V HN 0.420 nan 8.190 nan 0.000 0.454 154 K N 1.635 122.080 120.400 0.075 0.000 2.097 154 K HA -0.206 4.113 4.320 -0.001 0.000 0.206 154 K C 1.774 178.394 176.600 0.033 0.000 1.049 154 K CA 1.778 58.097 56.287 0.053 0.000 0.933 154 K CB -0.200 32.333 32.500 0.055 0.000 0.717 154 K HN 0.662 nan 8.250 nan 0.000 0.442 155 N N -0.628 118.092 118.700 0.033 0.000 2.461 155 N HA 0.008 4.747 4.740 -0.001 0.000 0.188 155 N C 0.873 176.389 175.510 0.011 0.000 1.134 155 N CA 1.069 54.131 53.050 0.021 0.000 0.878 155 N CB 0.465 38.965 38.487 0.022 0.000 0.972 155 N HN 0.324 nan 8.380 nan 0.000 0.456 156 G N -0.196 108.607 108.800 0.005 0.000 2.175 156 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.244 156 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.244 156 G C 0.799 175.688 174.900 -0.018 0.000 0.982 156 G CA 0.435 45.527 45.100 -0.012 0.000 0.641 156 G HN 0.445 nan 8.290 nan 0.000 0.527 157 Q N -1.246 118.551 119.800 -0.006 0.000 2.049 157 Q HA 0.177 4.516 4.340 -0.001 0.000 0.198 157 Q C 1.185 177.178 176.000 -0.011 0.000 0.971 157 Q CA 1.119 56.923 55.803 0.001 0.000 0.833 157 Q CB 0.166 28.910 28.738 0.011 0.000 0.896 157 Q HN 0.570 nan 8.270 nan 0.000 0.434 158 L N 1.269 122.466 121.223 -0.043 0.000 2.272 158 L HA 0.282 4.621 4.340 -0.001 0.000 0.289 158 L C -0.930 175.771 176.870 -0.282 0.000 1.032 158 L CA -0.054 54.712 54.840 -0.123 0.000 0.810 158 L CB 1.412 43.405 42.059 -0.111 0.000 1.205 158 L HN -0.057 nan 8.230 nan 0.000 0.422 159 E N 4.275 124.269 120.200 -0.343 0.000 2.199 159 E HA 0.354 4.704 4.350 -0.001 0.000 0.265 159 E C -1.447 174.889 176.600 -0.440 0.000 0.882 159 E CA -0.732 55.473 56.400 -0.325 0.000 0.759 159 E CB 0.954 30.541 29.700 -0.189 0.000 1.148 159 E HN 0.492 nan 8.360 nan 0.000 0.412 160 F N 3.169 123.075 119.950 -0.074 0.000 2.412 160 F HA 0.214 4.740 4.527 -0.001 0.000 0.348 160 F C 0.299 176.072 175.800 -0.045 0.000 1.102 160 F CA -0.504 57.466 58.000 -0.051 0.000 1.196 160 F CB 1.250 40.232 39.000 -0.031 0.000 1.144 160 F HN 0.187 nan 8.300 nan 0.000 0.541 161 V N 0.144 120.127 119.914 0.115 0.000 2.448 161 V HA 0.657 4.777 4.120 -0.001 0.000 0.295 161 V C 0.190 176.416 176.094 0.219 0.000 1.025 161 V CA -0.451 61.912 62.300 0.105 0.000 0.859 161 V CB 0.867 32.644 31.823 -0.077 0.000 0.988 161 V HN 0.983 nan 8.190 nan 0.000 0.431 162 T N 3.438 118.193 114.554 0.335 0.000 13.275 162 T HA -0.290 4.059 4.350 -0.001 0.000 0.419 162 T C 1.751 176.676 174.700 0.376 0.000 1.444 162 T CA 2.664 65.004 62.100 0.400 0.000 2.363 162 T CB -1.709 67.298 68.868 0.233 0.000 2.804 162 T HN 2.767 nan 8.240 nan 0.000 0.610 163 G N 1.903 110.865 108.800 0.270 0.000 2.136 163 G HA2 0.116 4.076 3.960 -0.001 0.000 0.242 163 G HA3 0.116 4.076 3.960 -0.001 0.000 0.242 163 G C 0.334 175.374 174.900 0.234 0.000 0.989 163 G CA 0.608 45.843 45.100 0.225 0.000 0.682 163 G HN 1.573 nan 8.290 nan 0.000 0.522 164 G N -1.648 107.289 108.800 0.228 0.000 2.599 164 G HA2 0.361 4.320 3.960 -0.001 0.000 0.264 164 G HA3 0.361 4.320 3.960 -0.001 0.000 0.264 164 G C 0.994 176.072 174.900 0.297 0.000 1.200 164 G CA 0.182 45.429 45.100 0.245 0.000 0.896 164 G HN 0.332 nan 8.290 nan 0.000 0.536 165 W N 0.144 121.490 121.300 0.075 0.000 2.342 165 W HA -0.038 4.622 4.660 -0.001 0.000 0.297 165 W C 0.752 177.301 176.519 0.051 0.000 1.213 165 W CA 1.912 59.287 57.345 0.050 0.000 1.251 165 W CB 0.229 29.703 29.460 0.024 0.000 1.136 165 W HN 0.398 nan 8.180 nan 0.000 0.526 166 V N -2.653 117.384 119.914 0.205 0.000 3.105 166 V HA 0.496 4.616 4.120 -0.001 0.000 0.311 166 V C -0.416 175.766 176.094 0.146 0.000 1.287 166 V CA -1.275 61.090 62.300 0.109 0.000 1.066 166 V CB 1.725 33.630 31.823 0.137 0.000 1.105 166 V HN -0.051 nan 8.190 nan 0.000 0.462 167 M N 3.979 123.692 119.600 0.189 0.000 2.152 167 M HA 0.501 4.980 4.480 -0.001 0.000 0.354 167 M C -2.667 173.794 176.300 0.270 0.000 1.173 167 M CA -1.886 53.544 55.300 0.218 0.000 1.110 167 M CB 1.264 34.015 32.600 0.251 0.000 1.366 167 M HN 0.638 nan 8.290 nan 0.000 0.415 168 P HA 0.127 nan 4.420 nan 0.000 0.276 168 P C -0.943 176.369 177.300 0.019 0.000 1.244 168 P CA -0.204 62.949 63.100 0.089 0.000 0.801 168 P CB 0.567 32.306 31.700 0.064 0.000 1.006 169 D N 0.654 121.025 120.400 -0.048 0.000 2.478 169 D HA -0.089 4.550 4.640 -0.001 0.000 0.234 169 D C 0.732 177.042 176.300 0.016 0.000 1.154 169 D CA 0.755 54.707 54.000 -0.079 0.000 0.874 169 D CB 0.445 41.206 40.800 -0.064 0.000 1.198 169 D HN 0.311 nan 8.370 nan 0.000 0.455 170 E N 1.458 121.711 120.200 0.089 0.000 2.511 170 E HA 0.177 4.526 4.350 -0.001 0.000 0.209 170 E C 0.962 177.735 176.600 0.288 0.000 0.986 170 E CA 0.078 56.599 56.400 0.201 0.000 0.974 170 E CB 0.631 30.465 29.700 0.224 0.000 1.030 170 E HN 0.480 nan 8.360 nan 0.000 0.490 171 A N 1.570 124.509 122.820 0.198 0.000 1.887 171 A HA 0.006 4.325 4.320 -0.001 0.000 0.210 171 A C 1.830 179.303 177.584 -0.184 0.000 1.221 171 A CA 0.638 52.568 52.037 -0.179 0.000 0.635 171 A CB -0.013 18.860 19.000 -0.211 0.000 0.881 171 A HN 0.037 nan 8.150 nan 0.000 0.456 172 N N -0.053 118.625 118.700 -0.036 0.000 2.405 172 N HA 0.038 4.778 4.740 -0.001 0.000 0.175 172 N C 0.515 176.014 175.510 -0.019 0.000 1.051 172 N CA 0.312 53.338 53.050 -0.041 0.000 0.899 172 N CB 0.070 38.575 38.487 0.029 0.000 1.000 172 N HN 0.298 nan 8.380 nan 0.000 0.451 173 S N 0.669 116.368 115.700 -0.002 0.000 2.562 173 S HA -0.028 4.442 4.470 -0.001 0.000 0.281 173 S C -0.178 174.432 174.600 0.017 0.000 1.333 173 S CA -0.395 57.816 58.200 0.017 0.000 1.052 173 S CB 0.327 63.540 63.200 0.022 0.000 0.884 173 S HN 0.223 nan 8.310 nan 0.000 0.506 174 H N 5.230 124.276 119.070 -0.040 0.000 2.652 174 H HA 0.058 4.614 4.556 -0.001 0.000 0.349 174 H C 1.354 176.651 175.328 -0.051 0.000 1.099 174 H CA -0.104 55.905 56.048 -0.065 0.000 1.417 174 H CB 0.450 30.122 29.762 -0.150 0.000 1.457 174 H HN 0.966 nan 8.280 nan 0.000 0.568 175 W N 5.810 126.999 121.300 -0.185 0.000 2.350 175 W HA -0.178 4.482 4.660 -0.001 0.000 0.289 175 W C 1.086 177.671 176.519 0.110 0.000 1.215 175 W CA 0.452 57.771 57.345 -0.043 0.000 1.236 175 W CB -0.475 28.894 29.460 -0.151 0.000 1.130 175 W HN 0.536 nan 8.180 nan 0.000 0.541 176 R N 0.754 120.879 120.500 -0.626 0.000 2.096 176 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 176 R C 2.008 178.145 176.300 -0.270 0.000 1.127 176 R CA 1.858 57.503 56.100 -0.758 0.000 0.968 176 R CB -0.387 29.405 30.300 -0.845 0.000 0.861 176 R HN 0.152 nan 8.270 nan 0.000 0.440 177 N N -0.218 118.407 118.700 -0.126 0.000 2.376 177 N HA -0.054 4.686 4.740 -0.001 0.000 0.177 177 N C 1.733 177.247 175.510 0.007 0.000 1.024 177 N CA 0.679 53.697 53.050 -0.054 0.000 0.893 177 N CB 0.002 38.476 38.487 -0.022 0.000 0.980 177 N HN -0.009 nan 8.380 nan 0.000 0.439 178 V N 1.522 121.462 119.914 0.044 0.000 2.287 178 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 178 V C 2.354 178.493 176.094 0.076 0.000 1.053 178 V CA 1.172 63.516 62.300 0.074 0.000 1.027 178 V CB -0.528 31.357 31.823 0.103 0.000 0.646 178 V HN 0.196 nan 8.190 nan 0.000 0.447 179 L N -0.378 120.900 121.223 0.092 0.000 2.046 179 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 179 L C 2.181 179.065 176.870 0.023 0.000 1.077 179 L CA 1.775 56.662 54.840 0.079 0.000 0.747 179 L CB -0.674 41.469 42.059 0.139 0.000 0.896 179 L HN 0.279 nan 8.230 nan 0.000 0.432 180 L N -0.098 121.117 121.223 -0.014 0.000 1.989 180 L HA -0.264 4.075 4.340 -0.001 0.000 0.211 180 L C 2.602 179.463 176.870 -0.015 0.000 1.071 180 L CA 2.397 57.217 54.840 -0.033 0.000 0.749 180 L CB -0.763 41.257 42.059 -0.065 0.000 0.890 180 L HN 0.682 nan 8.230 nan 0.000 0.431 181 Q N -1.066 118.748 119.800 0.023 0.000 2.172 181 Q HA -0.187 4.153 4.340 -0.001 0.000 0.200 181 Q C 2.026 178.107 176.000 0.135 0.000 0.964 181 Q CA 1.977 57.826 55.803 0.077 0.000 0.855 181 Q CB -1.160 27.659 28.738 0.135 0.000 0.918 181 Q HN 0.462 nan 8.270 nan 0.000 0.444 182 L N 0.922 122.212 121.223 0.112 0.000 2.017 182 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 182 L C 1.954 178.904 176.870 0.133 0.000 1.073 182 L CA 2.530 57.449 54.840 0.132 0.000 0.745 182 L CB -1.048 41.068 42.059 0.095 0.000 0.894 182 L HN 0.349 nan 8.230 nan 0.000 0.432 183 T N -1.020 113.582 114.554 0.079 0.000 2.746 183 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 183 T C 1.727 176.477 174.700 0.083 0.000 1.039 183 T CA 1.429 63.568 62.100 0.065 0.000 1.142 183 T CB -0.189 68.691 68.868 0.019 0.000 0.866 183 T HN 0.339 nan 8.240 nan 0.000 0.444 184 E N 0.991 121.211 120.200 0.034 0.000 2.051 184 E HA -0.055 4.295 4.350 -0.001 0.000 0.192 184 E C 2.349 179.058 176.600 0.183 0.000 0.991 184 E CA 1.579 57.950 56.400 -0.049 0.000 0.799 184 E CB -0.865 28.611 29.700 -0.374 0.000 0.748 184 E HN 0.449 nan 8.360 nan 0.000 0.449 185 G N -0.186 108.825 108.800 0.353 0.000 2.402 185 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.216 185 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.216 185 G C 1.488 176.605 174.900 0.360 0.000 1.162 185 G CA 0.660 46.058 45.100 0.497 0.000 0.777 185 G HN 0.261 nan 8.290 nan 0.000 0.539 186 Q N -0.180 119.768 119.800 0.247 0.000 2.172 186 Q HA -0.050 4.290 4.340 -0.001 0.000 0.200 186 Q C 2.792 178.886 176.000 0.156 0.000 0.964 186 Q CA 1.382 57.291 55.803 0.177 0.000 0.855 186 Q CB -0.175 28.649 28.738 0.144 0.000 0.918 186 Q HN 0.407 nan 8.270 nan 0.000 0.444 187 T N 0.219 114.876 114.554 0.171 0.000 2.777 187 T HA -0.187 4.163 4.350 -0.001 0.000 0.266 187 T C 1.091 175.886 174.700 0.158 0.000 1.040 187 T CA 1.055 63.231 62.100 0.127 0.000 1.141 187 T CB -0.377 68.561 68.868 0.117 0.000 0.868 187 T HN 0.468 nan 8.240 nan 0.000 0.444 188 W N 1.580 122.971 121.300 0.152 0.000 2.335 188 W HA -0.081 4.579 4.660 -0.001 0.000 0.311 188 W C 1.823 178.446 176.519 0.173 0.000 1.213 188 W CA 1.015 58.527 57.345 0.279 0.000 1.274 188 W CB -0.435 29.268 29.460 0.405 0.000 1.148 188 W HN 0.145 nan 8.180 nan 0.000 0.498 189 L N 0.526 121.952 121.223 0.338 0.000 2.083 189 L HA -0.232 4.107 4.340 -0.001 0.000 0.209 189 L C 2.587 179.388 176.870 -0.114 0.000 1.083 189 L CA 1.812 56.683 54.840 0.052 0.000 0.752 189 L CB -0.891 41.142 42.059 -0.044 0.000 0.899 189 L HN -0.010 nan 8.230 nan 0.000 0.433 190 K N -0.018 120.333 120.400 -0.083 0.000 2.057 190 K HA -0.255 4.064 4.320 -0.001 0.000 0.206 190 K C 2.190 178.647 176.600 -0.239 0.000 1.050 190 K CA 1.507 57.720 56.287 -0.123 0.000 0.935 190 K CB -0.010 32.445 32.500 -0.076 0.000 0.715 190 K HN 0.244 nan 8.250 nan 0.000 0.439 191 Q N -0.845 118.732 119.800 -0.372 0.000 2.079 191 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 191 Q C 1.382 176.866 176.000 -0.860 0.000 0.974 191 Q CA 1.728 57.134 55.803 -0.662 0.000 0.840 191 Q CB 0.061 28.243 28.738 -0.927 0.000 0.898 191 Q HN 0.310 nan 8.270 nan 0.000 0.430 192 F N -1.523 118.047 119.950 -0.633 0.000 2.622 192 F HA 0.140 4.666 4.527 -0.001 0.000 0.288 192 F C 1.598 177.109 175.800 -0.482 0.000 1.120 192 F CA 0.237 57.791 58.000 -0.743 0.000 1.423 192 F CB 0.431 38.454 39.000 -1.629 0.000 1.127 192 F HN 0.086 nan 8.300 nan 0.000 0.588 193 M N -0.964 118.496 119.600 -0.233 0.000 2.306 193 M HA 0.239 4.719 4.480 -0.001 0.000 0.292 193 M C 0.217 176.502 176.300 -0.025 0.000 1.018 193 M CA 0.159 55.431 55.300 -0.047 0.000 1.007 193 M CB -1.022 31.586 32.600 0.012 0.000 1.510 193 M HN 0.084 nan 8.290 nan 0.000 0.537 194 N N 2.059 120.708 118.700 -0.085 0.000 2.727 194 N HA -0.133 4.607 4.740 -0.001 0.000 0.249 194 N C -0.961 174.534 175.510 -0.026 0.000 1.048 194 N CA 0.718 53.731 53.050 -0.060 0.000 0.714 194 N CB -0.894 37.570 38.487 -0.038 0.000 0.959 194 N HN 0.396 nan 8.380 nan 0.000 0.544 195 V N -3.820 116.079 119.914 -0.024 0.000 3.049 195 V HA 0.877 4.996 4.120 -0.001 0.000 0.309 195 V C -0.020 176.062 176.094 -0.020 0.000 1.148 195 V CA -0.478 61.823 62.300 0.001 0.000 0.990 195 V CB 2.393 34.261 31.823 0.075 0.000 1.039 195 V HN 0.055 nan 8.190 nan 0.000 0.430 196 T N 3.819 118.352 114.554 -0.036 0.000 2.930 196 T HA 0.569 4.918 4.350 -0.001 0.000 0.313 196 T C -2.754 171.868 174.700 -0.130 0.000 1.019 196 T CA -0.747 61.312 62.100 -0.068 0.000 1.004 196 T CB 1.310 70.128 68.868 -0.083 0.000 0.987 196 T HN 0.771 nan 8.240 nan 0.000 0.456 197 P HA 0.173 nan 4.420 nan 0.000 0.266 197 P C 0.850 177.777 177.300 -0.622 0.000 1.195 197 P CA -0.153 62.835 63.100 -0.186 0.000 0.768 197 P CB 0.533 32.236 31.700 0.004 0.000 0.838 198 T N -1.847 112.401 114.554 -0.511 0.000 3.043 198 T HA 0.549 4.899 4.350 -0.001 0.000 0.272 198 T C 0.301 174.833 174.700 -0.281 0.000 0.990 198 T CA -0.285 61.396 62.100 -0.698 0.000 0.897 198 T CB 0.109 68.764 68.868 -0.355 0.000 1.111 198 T HN 0.415 nan 8.240 nan 0.000 0.529 199 A N 0.846 123.656 122.820 -0.017 0.000 2.343 199 A HA 0.803 5.122 4.320 -0.001 0.000 0.316 199 A C -0.191 177.663 177.584 0.450 0.000 1.104 199 A CA -0.705 51.471 52.037 0.231 0.000 0.768 199 A CB 1.835 20.984 19.000 0.248 0.000 1.213 199 A HN 0.265 nan 8.150 nan 0.000 0.456 200 S N 2.186 118.136 115.700 0.417 0.000 2.509 200 S HA 0.668 5.137 4.470 -0.001 0.000 0.297 200 S C -1.119 173.669 174.600 0.313 0.000 1.118 200 S CA -0.429 57.954 58.200 0.305 0.000 1.074 200 S CB 0.739 63.941 63.200 0.004 0.000 1.038 200 S HN 0.802 nan 8.310 nan 0.000 0.498 201 W N 4.749 126.066 121.300 0.028 0.000 2.499 201 W HA 0.633 5.292 4.660 -0.001 0.000 0.320 201 W C -1.398 175.073 176.519 -0.080 0.000 1.010 201 W CA -0.854 56.461 57.345 -0.051 0.000 1.267 201 W CB 1.176 30.578 29.460 -0.097 0.000 1.316 201 W HN 0.784 nan 8.180 nan 0.000 0.431 202 A N 7.896 130.556 122.820 -0.266 0.000 3.030 202 A HA 0.257 4.576 4.320 -0.001 0.000 0.335 202 A C 0.403 177.746 177.584 -0.402 0.000 1.089 202 A CA -0.463 51.432 52.037 -0.236 0.000 0.807 202 A CB -0.454 18.524 19.000 -0.036 0.000 1.099 202 A HN 0.703 nan 8.150 nan 0.000 0.474 203 I N -2.363 117.777 120.570 -0.717 0.000 3.419 203 I HA 0.301 4.471 4.170 -0.001 0.000 0.286 203 I C 1.291 177.105 176.117 -0.505 0.000 1.268 203 I CA 1.310 62.158 61.300 -0.754 0.000 1.414 203 I CB 0.490 37.772 38.000 -1.198 0.000 1.074 203 I HN 0.340 nan 8.210 nan 0.000 0.457 204 A N 0.396 122.885 122.820 -0.551 0.000 2.312 204 A HA 0.492 4.812 4.320 -0.001 0.000 0.215 204 A C -2.050 175.101 177.584 -0.722 0.000 1.256 204 A CA -0.283 51.400 52.037 -0.591 0.000 0.966 204 A CB -0.713 17.783 19.000 -0.841 0.000 1.053 204 A HN 0.248 nan 8.150 nan 0.000 0.510 205 P HA 0.157 nan 4.420 nan 0.000 0.269 205 P C -0.722 176.134 177.300 -0.739 0.000 1.215 205 P CA 0.210 62.808 63.100 -0.837 0.000 0.780 205 P CB 0.106 31.469 31.700 -0.561 0.000 0.898 206 F N 1.676 121.390 119.950 -0.395 0.000 2.541 206 F HA 0.531 5.057 4.527 -0.001 0.000 0.351 206 F C 1.434 177.160 175.800 -0.123 0.000 1.209 206 F CA -0.633 57.101 58.000 -0.442 0.000 1.277 206 F CB -1.180 37.694 39.000 -0.210 0.000 1.632 206 F HN 0.509 nan 8.300 nan 0.000 0.619 207 G N 1.249 109.788 108.800 -0.435 0.000 2.699 207 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.686 207 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.686 207 G C -1.413 173.118 174.900 -0.615 0.000 1.301 207 G CA -1.140 43.786 45.100 -0.289 0.000 0.816 207 G HN 0.619 nan 8.290 nan 0.000 0.595 208 H N -0.594 118.160 119.070 -0.525 0.000 2.717 208 H HA 0.727 5.282 4.556 -0.001 0.000 0.366 208 H C -0.369 174.835 175.328 -0.206 0.000 1.132 208 H CA 0.020 55.951 56.048 -0.194 0.000 1.180 208 H CB 2.043 31.854 29.762 0.081 0.000 1.678 208 H HN 0.671 nan 8.280 nan 0.000 0.537 209 S N 2.401 118.233 115.700 0.220 0.000 2.501 209 S HA 0.245 4.714 4.470 -0.001 0.000 0.301 209 S C -1.713 172.918 174.600 0.052 0.000 1.096 209 S CA -1.791 56.553 58.200 0.240 0.000 1.063 209 S CB 1.262 64.646 63.200 0.307 0.000 1.042 209 S HN 0.460 nan 8.310 nan 0.000 0.494 210 P HA -0.002 nan 4.420 nan 0.000 0.230 210 P C 1.110 178.162 177.300 -0.412 0.000 1.158 210 P CA 0.792 63.522 63.100 -0.617 0.000 0.769 210 P CB -0.253 31.233 31.700 -0.357 0.000 0.807 211 T N -0.116 114.323 114.554 -0.190 0.000 2.803 211 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 211 T C 1.856 176.504 174.700 -0.086 0.000 1.052 211 T CA 1.257 63.283 62.100 -0.124 0.000 1.136 211 T CB -0.404 68.428 68.868 -0.060 0.000 0.864 211 T HN 0.001 nan 8.240 nan 0.000 0.467 212 M N 0.928 120.441 119.600 -0.145 0.000 2.059 212 M HA -0.007 4.472 4.480 -0.001 0.000 0.259 212 M C -0.595 175.567 176.300 -0.230 0.000 1.072 212 M CA 1.288 56.499 55.300 -0.147 0.000 1.117 212 M CB -2.536 30.004 32.600 -0.101 0.000 1.320 212 M HN 0.141 nan 8.290 nan 0.000 0.408 213 P HA -0.196 nan 4.420 nan 0.000 0.218 213 P C 1.675 178.847 177.300 -0.213 0.000 1.149 213 P CA 1.399 64.303 63.100 -0.327 0.000 0.817 213 P CB -0.425 30.976 31.700 -0.500 0.000 0.785 214 Y N 1.147 121.260 120.300 -0.312 0.000 2.097 214 Y HA -0.221 4.329 4.550 -0.001 0.000 0.282 214 Y C 2.429 178.244 175.900 -0.142 0.000 1.152 214 Y CA 1.761 59.739 58.100 -0.202 0.000 1.136 214 Y CB -0.946 37.408 38.460 -0.176 0.000 0.975 214 Y HN -0.238 nan 8.280 nan 0.000 0.498 215 I N -0.427 120.168 120.570 0.042 0.000 2.202 215 I HA -0.319 3.851 4.170 -0.001 0.000 0.242 215 I C 2.326 178.382 176.117 -0.103 0.000 1.091 215 I CA 1.247 62.542 61.300 -0.009 0.000 1.368 215 I CB -0.470 37.580 38.000 0.084 0.000 1.058 215 I HN 0.267 nan 8.210 nan 0.000 0.410 216 L N 0.124 121.236 121.223 -0.184 0.000 2.017 216 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 216 L C 2.719 179.574 176.870 -0.024 0.000 1.073 216 L CA 1.299 55.966 54.840 -0.289 0.000 0.745 216 L CB -0.728 40.979 42.059 -0.588 0.000 0.894 216 L HN 0.364 nan 8.230 nan 0.000 0.432 217 Q N 1.075 120.828 119.800 -0.079 0.000 2.170 217 Q HA -0.203 4.137 4.340 -0.001 0.000 0.203 217 Q C 1.723 177.684 176.000 -0.066 0.000 0.976 217 Q CA 1.524 57.297 55.803 -0.050 0.000 0.858 217 Q CB 0.095 28.772 28.738 -0.101 0.000 0.907 217 Q HN 0.477 nan 8.270 nan 0.000 0.433 218 K N -0.483 119.841 120.400 -0.128 0.000 2.444 218 K HA 0.100 4.420 4.320 -0.001 0.000 0.193 218 K C 0.702 177.269 176.600 -0.055 0.000 1.024 218 K CA 0.180 56.388 56.287 -0.131 0.000 1.077 218 K CB 0.497 32.853 32.500 -0.240 0.000 0.833 218 K HN -0.066 nan 8.250 nan 0.000 0.517 219 S N -0.196 115.524 115.700 0.033 0.000 2.741 219 S HA 0.206 4.676 4.470 -0.001 0.000 0.247 219 S C 0.768 175.463 174.600 0.158 0.000 1.050 219 S CA 0.079 58.344 58.200 0.108 0.000 1.025 219 S CB 1.287 64.594 63.200 0.178 0.000 0.897 219 S HN 0.519 nan 8.310 nan 0.000 0.508 220 G N 1.231 110.078 108.800 0.078 0.000 2.176 220 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.253 220 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.253 220 G C -0.010 174.862 174.900 -0.046 0.000 0.979 220 G CA -0.376 44.715 45.100 -0.015 0.000 0.641 220 G HN 0.443 nan 8.290 nan 0.000 0.530 221 F N 0.528 120.438 119.950 -0.066 0.000 2.450 221 F HA 0.529 5.055 4.527 -0.001 0.000 0.339 221 F C 1.718 177.460 175.800 -0.097 0.000 1.146 221 F CA 0.461 58.418 58.000 -0.073 0.000 1.267 221 F CB 0.933 39.894 39.000 -0.065 0.000 1.178 221 F HN -0.061 nan 8.300 nan 0.000 0.585 222 K N 0.483 120.902 120.400 0.031 0.000 2.464 222 K HA 0.229 4.548 4.320 -0.001 0.000 0.206 222 K C -0.387 176.154 176.600 -0.099 0.000 1.186 222 K CA 0.034 56.280 56.287 -0.069 0.000 0.990 222 K CB 0.518 32.928 32.500 -0.149 0.000 1.003 222 K HN 0.495 nan 8.250 nan 0.000 0.562 223 N N 0.952 119.577 118.700 -0.124 0.000 2.484 223 N HA 0.376 5.115 4.740 -0.001 0.000 0.269 223 N C -1.277 174.089 175.510 -0.240 0.000 1.237 223 N CA -0.471 52.345 53.050 -0.389 0.000 0.838 223 N CB 2.313 40.029 38.487 -1.286 0.000 1.593 223 N HN -0.042 nan 8.380 nan 0.000 0.485 224 M N -0.408 119.069 119.600 -0.205 0.000 2.569 224 M HA 0.639 5.119 4.480 -0.001 0.000 0.279 224 M C -1.960 174.408 176.300 0.113 0.000 1.253 224 M CA -0.948 54.351 55.300 -0.002 0.000 0.867 224 M CB 2.905 35.488 32.600 -0.027 0.000 1.727 224 M HN 0.462 nan 8.290 nan 0.000 0.467 225 L N 3.388 124.688 121.223 0.128 0.000 2.386 225 L HA 0.874 5.213 4.340 -0.001 0.000 0.271 225 L C -1.473 175.276 176.870 -0.202 0.000 0.993 225 L CA -0.746 54.121 54.840 0.045 0.000 0.819 225 L CB 2.030 44.154 42.059 0.108 0.000 1.294 225 L HN 0.943 nan 8.230 nan 0.000 0.414 226 I N 0.935 121.297 120.570 -0.346 0.000 3.042 226 I HA 0.618 4.787 4.170 -0.001 0.000 0.310 226 I C -0.724 175.100 176.117 -0.489 0.000 1.117 226 I CA -0.556 60.355 61.300 -0.649 0.000 1.003 226 I CB 2.265 39.599 38.000 -1.109 0.000 1.228 226 I HN 0.734 nan 8.210 nan 0.000 0.443 227 Q N 1.968 121.541 119.800 -0.379 0.000 2.546 227 Q HA 0.335 4.675 4.340 -0.001 0.000 0.226 227 Q C 0.032 175.940 176.000 -0.153 0.000 0.769 227 Q CA 0.406 56.072 55.803 -0.228 0.000 0.954 227 Q CB 0.662 29.260 28.738 -0.233 0.000 1.319 227 Q HN 0.662 nan 8.270 nan 0.000 0.534 228 R N 2.012 122.450 120.500 -0.102 0.000 2.870 228 R HA 0.340 4.680 4.340 -0.001 0.000 0.254 228 R C -0.730 175.299 176.300 -0.451 0.000 1.392 228 R CA 0.518 56.285 56.100 -0.555 0.000 1.322 228 R CB 0.331 29.976 30.300 -1.091 0.000 1.205 228 R HN 0.380 nan 8.270 nan 0.000 0.597 229 T N -2.478 112.044 114.554 -0.053 0.000 2.924 229 T HA 0.140 4.490 4.350 -0.001 0.000 0.291 229 T C 0.015 174.964 174.700 0.414 0.000 1.045 229 T CA -0.873 61.326 62.100 0.166 0.000 1.015 229 T CB 1.778 70.596 68.868 -0.083 0.000 1.103 229 T HN 0.402 nan 8.240 nan 0.000 0.496 230 H N 2.069 121.348 119.070 0.349 0.000 3.140 230 H HA -0.047 4.508 4.556 -0.001 0.000 0.316 230 H C 1.087 176.477 175.328 0.102 0.000 0.986 230 H CA 0.492 56.651 56.048 0.186 0.000 1.397 230 H CB 0.319 30.212 29.762 0.219 0.000 1.377 230 H HN 0.930 nan 8.280 nan 0.000 0.585 231 Y N 2.410 122.825 120.300 0.191 0.000 2.241 231 Y HA -0.194 4.355 4.550 -0.001 0.000 0.286 231 Y C 2.181 178.259 175.900 0.297 0.000 1.166 231 Y CA 1.041 59.284 58.100 0.238 0.000 1.203 231 Y CB -0.693 37.844 38.460 0.128 0.000 0.977 231 Y HN 0.304 nan 8.280 nan 0.000 0.529 232 S N 0.364 116.115 115.700 0.085 0.000 2.402 232 S HA -0.123 4.347 4.470 -0.001 0.000 0.229 232 S C 2.092 176.613 174.600 -0.133 0.000 1.021 232 S CA 1.183 59.316 58.200 -0.113 0.000 0.974 232 S CB -0.577 62.334 63.200 -0.482 0.000 0.800 232 S HN 0.376 nan 8.310 nan 0.000 0.484 233 V N 2.049 121.941 119.914 -0.036 0.000 2.307 233 V HA -0.189 3.931 4.120 -0.001 0.000 0.245 233 V C 2.250 178.379 176.094 0.058 0.000 1.045 233 V CA 1.608 63.919 62.300 0.017 0.000 1.024 233 V CB -0.553 31.381 31.823 0.185 0.000 0.651 233 V HN 0.416 nan 8.190 nan 0.000 0.449 234 K N 0.186 120.665 120.400 0.131 0.000 2.044 234 K HA -0.275 4.045 4.320 -0.001 0.000 0.210 234 K C 2.279 179.012 176.600 0.222 0.000 1.049 234 K CA 2.014 58.399 56.287 0.163 0.000 0.927 234 K CB -0.275 32.380 32.500 0.258 0.000 0.713 234 K HN 0.367 nan 8.250 nan 0.000 0.443 235 K N 1.132 121.662 120.400 0.217 0.000 2.026 235 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 235 K C 2.165 178.855 176.600 0.149 0.000 1.048 235 K CA 1.785 58.206 56.287 0.223 0.000 0.929 235 K CB 0.016 32.573 32.500 0.096 0.000 0.713 235 K HN -0.023 nan 8.250 nan 0.000 0.439 236 E N 0.897 121.105 120.200 0.014 0.000 2.051 236 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 236 E C 1.930 178.519 176.600 -0.018 0.000 0.991 236 E CA 1.459 57.825 56.400 -0.055 0.000 0.799 236 E CB -0.199 29.419 29.700 -0.136 0.000 0.748 236 E HN 0.364 nan 8.360 nan 0.000 0.449 237 L N -0.278 120.947 121.223 0.004 0.000 2.109 237 L HA -0.035 4.304 4.340 -0.001 0.000 0.207 237 L C 2.503 179.392 176.870 0.031 0.000 1.086 237 L CA 0.856 55.692 54.840 -0.007 0.000 0.760 237 L CB -0.596 41.444 42.059 -0.032 0.000 0.910 237 L HN 0.206 nan 8.230 nan 0.000 0.437 238 A N -0.185 122.707 122.820 0.119 0.000 1.908 238 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 238 A C 2.208 179.974 177.584 0.304 0.000 1.181 238 A CA 1.640 53.810 52.037 0.222 0.000 0.627 238 A CB -0.496 18.798 19.000 0.490 0.000 0.818 238 A HN 0.469 nan 8.150 nan 0.000 0.445 239 Q N -1.062 118.860 119.800 0.203 0.000 2.226 239 Q HA -0.145 4.195 4.340 -0.001 0.000 0.204 239 Q C 1.343 177.328 176.000 -0.026 0.000 0.975 239 Q CA 1.241 57.008 55.803 -0.060 0.000 0.866 239 Q CB -0.018 28.560 28.738 -0.267 0.000 0.915 239 Q HN 0.620 nan 8.270 nan 0.000 0.440 240 Q N -0.199 119.600 119.800 -0.001 0.000 2.247 240 Q HA 0.136 4.476 4.340 -0.001 0.000 0.204 240 Q C -0.434 175.580 176.000 0.024 0.000 0.872 240 Q CA -0.032 55.768 55.803 -0.005 0.000 0.951 240 Q CB 0.674 29.399 28.738 -0.022 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.873 121.394 120.500 0.035 0.000 3.251 241 R HA -0.213 4.127 4.340 -0.001 0.000 0.249 241 R C -0.125 176.204 176.300 0.049 0.000 0.949 241 R CA 0.476 56.588 56.100 0.019 0.000 0.645 241 R CB -1.902 28.434 30.300 0.061 0.000 1.065 241 R HN 0.390 nan 8.270 nan 0.000 0.452 242 Q N 0.057 119.874 119.800 0.029 0.000 2.165 242 Q HA 0.201 4.540 4.340 -0.001 0.000 0.245 242 Q C 1.194 177.264 176.000 0.117 0.000 0.841 242 Q CA -0.236 55.616 55.803 0.082 0.000 1.078 242 Q CB 0.563 29.315 28.738 0.023 0.000 1.169 242 Q HN 0.438 nan 8.270 nan 0.000 0.475 243 L N 0.046 121.276 121.223 0.011 0.000 2.418 243 L HA 0.052 4.391 4.340 -0.001 0.000 0.218 243 L C 0.302 177.152 176.870 -0.033 0.000 1.125 243 L CA 0.933 55.749 54.840 -0.039 0.000 0.835 243 L CB 0.322 42.175 42.059 -0.344 0.000 0.953 243 L HN 0.183 nan 8.230 nan 0.000 0.454 244 E N 0.268 120.493 120.200 0.041 0.000 2.158 244 E HA 0.516 4.865 4.350 -0.001 0.000 0.271 244 E C -1.215 175.300 176.600 -0.142 0.000 0.911 244 E CA -0.537 55.699 56.400 -0.274 0.000 0.767 244 E CB 1.503 31.150 29.700 -0.090 0.000 1.120 244 E HN 0.003 nan 8.360 nan 0.000 0.405 245 F N -0.312 119.386 119.950 -0.421 0.000 2.668 245 F HA 0.460 4.986 4.527 -0.001 0.000 0.309 245 F C -1.518 174.179 175.800 -0.172 0.000 1.117 245 F CA -1.387 56.511 58.000 -0.168 0.000 0.951 245 F CB 0.776 39.704 39.000 -0.120 0.000 1.323 245 F HN 0.168 nan 8.300 nan 0.000 0.451 246 L N 2.741 124.123 121.223 0.266 0.000 2.282 246 L HA 0.159 4.499 4.340 -0.001 0.000 0.287 246 L C -1.046 176.050 176.870 0.376 0.000 1.075 246 L CA -0.219 54.774 54.840 0.256 0.000 0.839 246 L CB 0.415 42.626 42.059 0.253 0.000 1.219 246 L HN 0.595 nan 8.230 nan 0.000 0.434 247 W N 6.833 128.239 121.300 0.178 0.000 2.416 247 W HA 0.306 4.966 4.660 -0.001 0.000 0.318 247 W C 0.305 176.850 176.519 0.043 0.000 1.150 247 W CA -1.250 56.216 57.345 0.201 0.000 1.392 247 W CB 0.386 30.006 29.460 0.265 0.000 1.311 247 W HN 0.505 nan 8.180 nan 0.000 0.436 248 R N 3.782 124.458 120.500 0.294 0.000 2.758 248 R HA 0.529 4.868 4.340 -0.001 0.000 0.265 248 R C -0.071 176.139 176.300 -0.149 0.000 1.016 248 R CA -0.887 55.213 56.100 0.001 0.000 1.040 248 R CB 1.062 31.346 30.300 -0.027 0.000 1.152 248 R HN 0.244 nan 8.270 nan 0.000 0.503 249 Q N 1.373 120.931 119.800 -0.404 0.000 2.421 249 Q HA 0.059 4.398 4.340 -0.001 0.000 0.255 249 Q C 1.453 177.069 176.000 -0.640 0.000 1.013 249 Q CA 0.101 55.467 55.803 -0.728 0.000 0.895 249 Q CB 0.843 28.692 28.738 -1.482 0.000 1.271 249 Q HN 0.846 nan 8.270 nan 0.000 0.460 250 I N -2.088 118.207 120.570 -0.459 0.000 2.567 250 I HA -0.148 4.022 4.170 -0.001 0.000 0.257 250 I C 1.332 177.396 176.117 -0.088 0.000 1.184 250 I CA 1.208 62.404 61.300 -0.173 0.000 1.451 250 I CB -0.368 37.625 38.000 -0.011 0.000 1.089 250 I HN 0.671 nan 8.210 nan 0.000 0.441 251 W N 1.424 122.785 121.300 0.103 0.000 3.278 251 W HA 0.347 5.007 4.660 -0.001 0.000 0.308 251 W C 0.227 176.825 176.519 0.130 0.000 1.253 251 W CA -0.631 56.836 57.345 0.203 0.000 1.759 251 W CB -0.687 28.985 29.460 0.352 0.000 1.093 251 W HN -0.045 nan 8.180 nan 0.000 0.648 252 D N 1.764 121.962 120.400 -0.336 0.000 2.441 252 D HA -0.008 4.632 4.640 -0.001 0.000 0.221 252 D C 0.965 177.245 176.300 -0.032 0.000 1.156 252 D CA 0.053 53.948 54.000 -0.174 0.000 0.896 252 D CB 0.338 40.931 40.800 -0.345 0.000 1.028 252 D HN 0.089 nan 8.370 nan 0.000 0.509 253 N N 3.752 122.491 118.700 0.066 0.000 2.216 253 N HA -0.150 4.590 4.740 -0.001 0.000 0.183 253 N C 1.467 176.998 175.510 0.035 0.000 1.017 253 N CA 1.196 54.276 53.050 0.050 0.000 0.861 253 N CB 0.145 38.684 38.487 0.085 0.000 0.986 253 N HN 0.335 nan 8.380 nan 0.000 0.428 254 K N -1.229 119.196 120.400 0.042 0.000 2.116 254 K HA 0.092 4.412 4.320 -0.001 0.000 0.203 254 K C 0.697 177.311 176.600 0.023 0.000 1.052 254 K CA 1.072 57.379 56.287 0.035 0.000 0.952 254 K CB 0.018 32.542 32.500 0.042 0.000 0.729 254 K HN 0.243 nan 8.250 nan 0.000 0.446 255 G N 0.735 109.541 108.800 0.010 0.000 2.148 255 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.203 255 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.203 255 G C 0.141 175.042 174.900 0.003 0.000 0.993 255 G CA 0.365 45.468 45.100 0.005 0.000 0.661 255 G HN 0.384 nan 8.290 nan 0.000 0.518 256 D N 0.413 120.815 120.400 0.003 0.000 2.312 256 D HA 0.049 4.689 4.640 -0.001 0.000 0.211 256 D C 2.620 178.905 176.300 -0.024 0.000 0.964 256 D CA 1.726 55.725 54.000 -0.002 0.000 0.877 256 D CB -0.067 40.739 40.800 0.010 0.000 0.924 256 D HN 0.622 nan 8.370 nan 0.000 0.515 257 T N -2.387 112.141 114.554 -0.044 0.000 3.148 257 T HA 0.291 4.641 4.350 -0.001 0.000 0.253 257 T C 0.958 175.615 174.700 -0.072 0.000 1.134 257 T CA -0.056 61.994 62.100 -0.082 0.000 1.051 257 T CB -0.088 68.708 68.868 -0.120 0.000 0.959 257 T HN 0.048 nan 8.240 nan 0.000 0.525 258 A N 1.345 124.151 122.820 -0.024 0.000 2.498 258 A HA 0.570 4.890 4.320 -0.001 0.000 0.239 258 A C -0.294 177.309 177.584 0.031 0.000 1.068 258 A CA -0.388 51.666 52.037 0.028 0.000 0.766 258 A CB -0.052 18.991 19.000 0.072 0.000 1.003 258 A HN 0.537 nan 8.150 nan 0.000 0.497 259 L N 2.555 123.818 121.223 0.065 0.000 2.409 259 L HA 0.552 4.891 4.340 -0.001 0.000 0.272 259 L C -0.677 176.255 176.870 0.104 0.000 0.980 259 L CA -0.534 54.342 54.840 0.059 0.000 0.826 259 L CB 1.421 43.477 42.059 -0.005 0.000 1.268 259 L HN 0.658 nan 8.230 nan 0.000 0.407 260 F N 3.845 123.760 119.950 -0.059 0.000 2.578 260 F HA 0.366 4.892 4.527 -0.001 0.000 0.381 260 F C 0.076 175.763 175.800 -0.187 0.000 1.069 260 F CA 0.768 58.699 58.000 -0.114 0.000 1.231 260 F CB 0.415 39.365 39.000 -0.084 0.000 1.086 260 F HN 0.553 nan 8.300 nan 0.000 0.564 261 T N 5.453 119.455 114.554 -0.921 0.000 2.848 261 T HA 0.203 4.553 4.350 -0.001 0.000 0.285 261 T C -1.556 172.515 174.700 -1.048 0.000 0.995 261 T CA -0.475 61.144 62.100 -0.801 0.000 0.970 261 T CB 0.892 69.282 68.868 -0.797 0.000 0.976 261 T HN 0.610 nan 8.240 nan 0.000 0.441 262 H N 2.824 121.583 119.070 -0.519 0.000 2.504 262 H HA 0.622 5.178 4.556 -0.001 0.000 0.322 262 H C -0.408 174.730 175.328 -0.317 0.000 1.055 262 H CA -0.771 55.090 56.048 -0.312 0.000 1.231 262 H CB 0.767 30.559 29.762 0.050 0.000 1.417 262 H HN 0.472 nan 8.280 nan 0.000 0.472 263 M N 6.988 126.276 119.600 -0.520 0.000 2.113 263 M HA 0.293 4.772 4.480 -0.001 0.000 0.352 263 M C -0.955 175.107 176.300 -0.398 0.000 1.170 263 M CA -0.583 54.480 55.300 -0.395 0.000 1.053 263 M CB 0.693 33.110 32.600 -0.305 0.000 1.601 263 M HN 0.677 nan 8.290 nan 0.000 0.459 264 M N 6.629 126.092 119.600 -0.228 0.000 2.240 264 M HA 0.216 4.695 4.480 -0.001 0.000 0.333 264 M C -1.631 174.539 176.300 -0.217 0.000 1.110 264 M CA -1.216 53.993 55.300 -0.152 0.000 1.173 264 M CB 0.426 32.962 32.600 -0.107 0.000 1.458 264 M HN 0.480 nan 8.290 nan 0.000 0.458 265 P HA 0.152 nan 4.420 nan 0.000 0.259 265 P C -0.383 176.727 177.300 -0.317 0.000 1.233 265 P CA 0.757 63.555 63.100 -0.503 0.000 0.827 265 P CB 0.437 31.519 31.700 -1.030 0.000 1.154 266 F N -1.720 118.241 119.950 0.018 0.000 2.611 266 F HA 0.301 4.827 4.527 -0.001 0.000 0.374 266 F C 1.983 177.878 175.800 0.159 0.000 1.110 266 F CA -1.446 56.602 58.000 0.080 0.000 1.090 266 F CB -0.768 38.214 39.000 -0.030 0.000 1.388 266 F HN -0.315 nan 8.300 nan 0.000 0.501 267 Y N 0.079 120.532 120.300 0.255 0.000 2.373 267 Y HA 0.106 4.656 4.550 -0.001 0.000 0.293 267 Y C 0.918 176.745 175.900 -0.120 0.000 1.129 267 Y CA 1.326 59.437 58.100 0.019 0.000 1.226 267 Y CB 0.063 38.438 38.460 -0.142 0.000 1.000 267 Y HN 0.354 nan 8.280 nan 0.000 0.549 268 S N -1.712 113.844 115.700 -0.240 0.000 2.651 268 S HA 0.261 4.731 4.470 -0.001 0.000 0.279 268 S C -0.334 174.219 174.600 -0.078 0.000 1.148 268 S CA -0.378 57.590 58.200 -0.385 0.000 0.837 268 S CB 0.379 63.303 63.200 -0.459 0.000 1.138 268 S HN 0.292 nan 8.310 nan 0.000 0.478 269 Y N 0.864 121.127 120.300 -0.061 0.000 2.466 269 Y HA 0.314 4.864 4.550 -0.001 0.000 0.272 269 Y C 0.399 176.390 175.900 0.152 0.000 1.169 269 Y CA -0.614 57.484 58.100 -0.004 0.000 1.285 269 Y CB -1.022 37.350 38.460 -0.146 0.000 1.078 269 Y HN 0.544 nan 8.280 nan 0.000 0.523 270 D N 0.629 121.115 120.400 0.142 0.000 2.384 270 D HA -0.013 4.627 4.640 -0.001 0.000 0.244 270 D C 1.235 177.683 176.300 0.247 0.000 1.251 270 D CA -0.414 53.721 54.000 0.224 0.000 0.961 270 D CB 0.826 41.719 40.800 0.155 0.000 1.116 270 D HN 0.254 nan 8.370 nan 0.000 0.484 271 I N -0.278 120.408 120.570 0.193 0.000 2.252 271 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 271 I C -0.765 175.401 176.117 0.081 0.000 1.102 271 I CA 0.737 62.132 61.300 0.158 0.000 1.385 271 I CB -1.165 36.913 38.000 0.131 0.000 1.064 271 I HN 0.326 nan 8.210 nan 0.000 0.414 272 P HA -0.164 nan 4.420 nan 0.000 0.219 272 P C 0.621 177.630 177.300 -0.484 0.000 1.146 272 P CA 1.626 64.560 63.100 -0.277 0.000 0.808 272 P CB -0.107 31.434 31.700 -0.266 0.000 0.779 273 H N -2.911 116.165 119.070 0.011 0.000 2.487 273 H HA 0.220 4.775 4.556 -0.001 0.000 0.290 273 H C 0.898 176.324 175.328 0.164 0.000 1.081 273 H CA 0.613 56.679 56.048 0.030 0.000 1.116 273 H CB -0.279 29.568 29.762 0.141 0.000 1.560 273 H HN 0.119 nan 8.280 nan 0.000 0.548 274 T N -4.337 110.338 114.554 0.202 0.000 2.986 274 T HA -0.027 4.323 4.350 -0.001 0.000 0.264 274 T C 1.801 176.624 174.700 0.205 0.000 0.964 274 T CA 0.352 62.596 62.100 0.241 0.000 0.895 274 T CB -0.690 68.314 68.868 0.227 0.000 1.163 274 T HN 0.511 nan 8.240 nan 0.000 0.517 275 c N 1.643 120.332 118.600 0.149 0.000 2.514 275 c HA 0.702 5.271 4.570 -0.001 0.000 0.271 275 c C 1.329 175.533 174.090 0.190 0.000 1.399 275 c CA 0.392 56.845 56.329 0.206 0.000 1.765 275 c CB -1.199 41.396 42.510 0.142 0.000 1.893 275 c HN 0.896 nan 8.230 nan 0.000 0.531 276 G N -0.363 108.474 108.800 0.061 0.000 2.324 276 G HA2 0.363 4.323 3.960 -0.001 0.000 0.293 276 G HA3 0.363 4.323 3.960 -0.001 0.000 0.293 276 G C -2.759 171.751 174.900 -0.650 0.000 1.297 276 G CA 0.210 45.269 45.100 -0.068 0.000 0.853 276 G HN -0.103 nan 8.290 nan 0.000 0.535 277 P HA 0.109 nan 4.420 nan 0.000 0.231 277 P C -0.129 176.757 177.300 -0.689 0.000 1.168 277 P CA 0.962 63.375 63.100 -1.145 0.000 0.779 277 P CB 0.407 31.768 31.700 -0.565 0.000 0.844 278 D N 1.005 121.114 120.400 -0.486 0.000 2.454 278 D HA 0.141 4.780 4.640 -0.001 0.000 0.225 278 D C -1.503 174.457 176.300 -0.566 0.000 1.081 278 D CA -2.563 51.193 54.000 -0.407 0.000 0.864 278 D CB 1.384 42.027 40.800 -0.261 0.000 1.040 278 D HN -0.000 nan 8.370 nan 0.000 0.517 279 P HA -0.130 nan 4.420 nan 0.000 0.221 279 P C 1.240 177.728 177.300 -1.354 0.000 1.150 279 P CA 0.644 63.003 63.100 -1.235 0.000 0.800 279 P CB 0.485 31.159 31.700 -1.710 0.000 0.787 280 K N 0.416 120.139 120.400 -1.129 0.000 2.147 280 K HA -0.073 4.247 4.320 -0.001 0.000 0.205 280 K C 1.772 178.182 176.600 -0.317 0.000 1.049 280 K CA 1.161 57.093 56.287 -0.592 0.000 0.936 280 K CB -0.275 32.069 32.500 -0.258 0.000 0.722 280 K HN -0.069 nan 8.250 nan 0.000 0.446 281 V N 0.583 120.320 119.914 -0.295 0.000 2.346 281 V HA -0.240 3.879 4.120 -0.001 0.000 0.244 281 V C 2.463 178.524 176.094 -0.054 0.000 1.037 281 V CA 1.432 63.654 62.300 -0.130 0.000 1.029 281 V CB -0.358 31.402 31.823 -0.104 0.000 0.663 281 V HN 0.487 nan 8.190 nan 0.000 0.454 282 c N -0.687 117.810 118.600 -0.172 0.000 2.413 282 c HA -0.218 4.351 4.570 -0.001 0.000 0.277 282 c C 2.991 177.050 174.090 -0.053 0.000 1.265 282 c CA 0.913 57.198 56.329 -0.073 0.000 1.752 282 c CB -1.492 40.894 42.510 -0.206 0.000 1.998 282 c HN 0.767 nan 8.230 nan 0.000 0.489 283 c N 0.781 119.261 118.600 -0.199 0.000 2.410 283 c HA -0.147 4.423 4.570 -0.001 0.000 0.281 283 c C 2.594 176.578 174.090 -0.177 0.000 1.318 283 c CA 1.229 57.492 56.329 -0.110 0.000 1.776 283 c CB -1.485 41.033 42.510 0.014 0.000 1.942 283 c HN 0.644 nan 8.230 nan 0.000 0.508 284 Q N -1.346 118.294 119.800 -0.267 0.000 2.488 284 Q HA -0.010 4.329 4.340 -0.001 0.000 0.211 284 Q C 0.587 175.920 176.000 -1.111 0.000 0.967 284 Q CA 0.981 56.435 55.803 -0.582 0.000 0.926 284 Q CB -0.015 28.359 28.738 -0.607 0.000 0.992 284 Q HN 0.753 nan 8.270 nan 0.000 0.506 285 F N -0.312 119.352 119.950 -0.477 0.000 2.735 285 F HA 0.177 4.704 4.527 -0.001 0.000 0.304 285 F C 0.148 175.689 175.800 -0.431 0.000 1.119 285 F CA -0.628 57.001 58.000 -0.619 0.000 1.280 285 F CB 0.794 39.667 39.000 -0.211 0.000 0.994 285 F HN -0.149 nan 8.300 nan 0.000 0.520 286 D N 0.064 120.247 120.400 -0.362 0.000 2.473 286 D HA 0.152 4.791 4.640 -0.001 0.000 0.226 286 D C 0.416 176.543 176.300 -0.288 0.000 1.089 286 D CA -0.393 53.511 54.000 -0.160 0.000 0.883 286 D CB 0.152 40.913 40.800 -0.066 0.000 1.029 286 D HN 0.078 nan 8.370 nan 0.000 0.517 287 F N 1.747 121.702 119.950 0.009 0.000 2.802 287 F HA 0.113 4.640 4.527 -0.001 0.000 0.300 287 F C 2.313 178.062 175.800 -0.085 0.000 1.168 287 F CA 0.287 58.266 58.000 -0.035 0.000 1.433 287 F CB 0.099 39.100 39.000 0.003 0.000 1.115 287 F HN 0.261 nan 8.300 nan 0.000 0.582 288 K N 0.662 120.994 120.400 -0.112 0.000 2.525 288 K HA 0.040 4.359 4.320 -0.001 0.000 0.192 288 K C 1.049 177.610 176.600 -0.066 0.000 1.029 288 K CA 0.305 56.397 56.287 -0.324 0.000 1.029 288 K CB 0.105 32.273 32.500 -0.554 0.000 0.814 288 K HN 0.206 nan 8.250 nan 0.000 0.503 289 R N -0.021 120.467 120.500 -0.020 0.000 2.609 289 R HA 0.204 4.544 4.340 -0.001 0.000 0.326 289 R C 0.881 177.204 176.300 0.038 0.000 1.090 289 R CA -0.178 55.931 56.100 0.015 0.000 1.072 289 R CB 0.269 30.557 30.300 -0.021 0.000 1.330 289 R HN 0.182 nan 8.270 nan 0.000 0.572 290 M N -1.027 118.630 119.600 0.095 0.000 2.556 290 M HA 0.166 4.646 4.480 -0.001 0.000 0.245 290 M C 1.181 177.521 176.300 0.066 0.000 1.128 290 M CA 0.877 56.219 55.300 0.071 0.000 1.069 290 M CB 0.813 33.465 32.600 0.086 0.000 1.469 290 M HN 0.487 nan 8.290 nan 0.000 0.494 291 G N -0.037 108.820 108.800 0.095 0.000 3.033 291 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.196 291 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.196 291 G C 1.015 175.934 174.900 0.030 0.000 1.078 291 G CA 0.261 45.394 45.100 0.054 0.000 0.805 291 G HN 0.425 nan 8.290 nan 0.000 0.472 292 S N 0.200 115.886 115.700 -0.024 0.000 2.474 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.235 292 S C 1.730 176.170 174.600 -0.266 0.000 0.997 292 S CA 1.456 59.549 58.200 -0.178 0.000 0.949 292 S CB -0.414 62.599 63.200 -0.311 0.000 0.766 292 S HN 0.351 nan 8.310 nan 0.000 0.517 293 F N 1.884 121.831 119.950 -0.005 0.000 2.765 293 F HA 0.421 4.947 4.527 -0.001 0.000 0.302 293 F C 1.949 177.748 175.800 -0.001 0.000 1.111 293 F CA -0.014 57.982 58.000 -0.006 0.000 1.359 293 F CB -0.173 38.819 39.000 -0.013 0.000 1.097 293 F HN 0.375 nan 8.300 nan 0.000 0.577 294 G N 0.850 109.725 108.800 0.126 0.000 2.148 294 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.254 294 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.254 294 G C 0.018 174.969 174.900 0.085 0.000 0.981 294 G CA 0.064 45.214 45.100 0.084 0.000 0.670 294 G HN 0.290 nan 8.290 nan 0.000 0.528 295 L N 0.396 121.682 121.223 0.105 0.000 2.319 295 L HA 0.847 5.186 4.340 -0.001 0.000 0.267 295 L C 0.571 177.473 176.870 0.053 0.000 1.011 295 L CA -0.355 54.528 54.840 0.072 0.000 0.818 295 L CB 2.224 44.322 42.059 0.065 0.000 1.316 295 L HN 0.436 nan 8.230 nan 0.000 0.432 296 S N -0.754 114.964 115.700 0.031 0.000 2.671 296 S HA 0.507 4.977 4.470 -0.001 0.000 0.277 296 S C -1.156 173.458 174.600 0.023 0.000 1.165 296 S CA -0.806 57.405 58.200 0.019 0.000 0.822 296 S CB 1.608 64.810 63.200 0.003 0.000 1.150 296 S HN 0.528 nan 8.310 nan 0.000 0.479 297 c N 2.857 121.476 118.600 0.032 0.000 2.265 297 c HA 0.520 5.089 4.570 -0.001 0.000 0.332 297 c C -1.180 172.904 174.090 -0.011 0.000 1.248 297 c CA -1.067 55.320 56.329 0.096 0.000 1.727 297 c CB 0.566 43.164 42.510 0.148 0.000 2.348 297 c HN 0.751 nan 8.230 nan 0.000 0.519 298 P HA -0.095 nan 4.420 nan 0.000 0.222 298 P C 1.190 178.193 177.300 -0.495 0.000 1.147 298 P CA 1.342 64.144 63.100 -0.496 0.000 0.790 298 P CB 0.042 31.215 31.700 -0.878 0.000 0.780 299 W N -0.058 121.221 121.300 -0.037 0.000 3.180 299 W HA 0.180 4.839 4.660 -0.001 0.000 0.254 299 W C 0.621 177.114 176.519 -0.044 0.000 1.318 299 W CA 0.157 57.476 57.345 -0.044 0.000 1.608 299 W CB -0.439 28.986 29.460 -0.058 0.000 1.124 299 W HN 0.114 nan 8.180 nan 0.000 0.694 300 K N -0.945 119.513 120.400 0.097 0.000 3.467 300 K HA -0.166 4.154 4.320 -0.001 0.000 0.309 300 K C -0.425 176.198 176.600 0.038 0.000 1.350 300 K CA 0.458 56.767 56.287 0.037 0.000 0.934 300 K CB -1.958 30.551 32.500 0.014 0.000 1.312 300 K HN -0.113 nan 8.250 nan 0.000 0.461 301 V N 2.125 122.073 119.914 0.057 0.000 2.378 301 V HA 0.313 4.432 4.120 -0.001 0.000 0.288 301 V C -1.807 174.271 176.094 -0.026 0.000 1.016 301 V CA -1.491 60.811 62.300 0.004 0.000 0.840 301 V CB 1.458 33.276 31.823 -0.009 0.000 0.994 301 V HN -0.022 nan 8.190 nan 0.000 0.431 302 P HA 0.409 nan 4.420 nan 0.000 0.276 302 P C -2.837 174.370 177.300 -0.155 0.000 1.252 302 P CA -2.088 60.969 63.100 -0.073 0.000 0.802 302 P CB 0.263 31.935 31.700 -0.047 0.000 1.035 303 P HA 0.240 nan 4.420 nan 0.000 0.269 303 P C -0.328 176.864 177.300 -0.181 0.000 1.215 303 P CA 0.196 63.086 63.100 -0.350 0.000 0.780 303 P CB 0.510 31.945 31.700 -0.441 0.000 0.898 304 R N 0.378 120.780 120.500 -0.163 0.000 2.670 304 R HA 0.432 4.772 4.340 -0.001 0.000 0.289 304 R C -0.218 176.134 176.300 0.087 0.000 0.965 304 R CA -0.669 55.410 56.100 -0.035 0.000 0.899 304 R CB 1.177 31.438 30.300 -0.066 0.000 1.173 304 R HN 0.349 nan 8.270 nan 0.000 0.456 305 T N 3.891 118.494 114.554 0.081 0.000 2.908 305 T HA 0.047 4.396 4.350 -0.001 0.000 0.301 305 T C 0.710 175.402 174.700 -0.013 0.000 1.019 305 T CA 0.123 62.250 62.100 0.046 0.000 1.152 305 T CB 0.157 69.032 68.868 0.011 0.000 0.966 305 T HN 0.191 nan 8.240 nan 0.000 0.540 306 I N 3.826 124.342 120.570 -0.090 0.000 2.529 306 I HA 0.285 4.454 4.170 -0.001 0.000 0.284 306 I C 0.965 177.034 176.117 -0.081 0.000 1.082 306 I CA 0.021 61.265 61.300 -0.092 0.000 1.406 306 I CB 0.419 38.324 38.000 -0.159 0.000 1.405 306 I HN 0.777 nan 8.210 nan 0.000 0.548 307 S N 3.704 119.367 115.700 -0.062 0.000 2.697 307 S HA 0.433 4.902 4.470 -0.001 0.000 0.289 307 S C 0.280 174.849 174.600 -0.051 0.000 1.149 307 S CA -0.736 57.435 58.200 -0.048 0.000 0.850 307 S CB 2.150 65.330 63.200 -0.035 0.000 1.151 307 S HN 0.499 nan 8.310 nan 0.000 0.491 308 D N 0.570 120.950 120.400 -0.034 0.000 2.263 308 D HA -0.022 4.618 4.640 -0.001 0.000 0.208 308 D C 1.545 177.821 176.300 -0.040 0.000 0.971 308 D CA 1.313 55.295 54.000 -0.031 0.000 0.867 308 D CB -0.155 40.642 40.800 -0.005 0.000 0.929 308 D HN 0.532 nan 8.370 nan 0.000 0.492 309 Q N 0.116 119.896 119.800 -0.034 0.000 2.269 309 Q HA -0.020 4.319 4.340 -0.001 0.000 0.201 309 Q C 1.283 177.258 176.000 -0.041 0.000 0.946 309 Q CA 0.808 56.593 55.803 -0.030 0.000 0.877 309 Q CB -0.008 28.717 28.738 -0.020 0.000 0.963 309 Q HN 0.338 nan 8.270 nan 0.000 0.472 310 N N -1.517 117.151 118.700 -0.054 0.000 2.184 310 N HA -0.014 4.726 4.740 -0.001 0.000 0.206 310 N C 1.070 176.528 175.510 -0.088 0.000 1.151 310 N CA 0.114 53.130 53.050 -0.055 0.000 0.878 310 N CB -0.154 38.308 38.487 -0.042 0.000 1.014 310 N HN 0.050 nan 8.380 nan 0.000 0.512 311 V N 0.332 120.156 119.914 -0.148 0.000 2.515 311 V HA -0.034 4.086 4.120 -0.001 0.000 0.250 311 V C 2.214 178.083 176.094 -0.376 0.000 1.058 311 V CA 1.898 64.054 62.300 -0.241 0.000 1.064 311 V CB -0.810 30.848 31.823 -0.274 0.000 0.675 311 V HN 0.430 nan 8.190 nan 0.000 0.461 312 A N -0.096 122.490 122.820 -0.389 0.000 1.877 312 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 312 A C 2.425 180.039 177.584 0.050 0.000 1.186 312 A CA 2.122 54.063 52.037 -0.158 0.000 0.620 312 A CB -1.013 17.996 19.000 0.015 0.000 0.822 312 A HN 0.780 nan 8.150 nan 0.000 0.443 313 A N -0.488 122.339 122.820 0.013 0.000 1.898 313 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 313 A C 2.236 179.853 177.584 0.055 0.000 1.181 313 A CA 1.329 53.393 52.037 0.045 0.000 0.620 313 A CB -0.439 18.572 19.000 0.018 0.000 0.819 313 A HN 0.423 nan 8.150 nan 0.000 0.442 314 R N 0.156 120.680 120.500 0.040 0.000 2.081 314 R HA -0.072 4.268 4.340 -0.001 0.000 0.235 314 R C 2.408 178.747 176.300 0.064 0.000 1.131 314 R CA 1.604 57.780 56.100 0.128 0.000 0.960 314 R CB -1.001 29.375 30.300 0.126 0.000 0.856 314 R HN 0.533 nan 8.270 nan 0.000 0.436 315 S N 1.363 117.051 115.700 -0.020 0.000 2.368 315 S HA -0.128 4.342 4.470 -0.001 0.000 0.225 315 S C 1.349 175.822 174.600 -0.212 0.000 1.030 315 S CA 1.327 59.428 58.200 -0.166 0.000 0.999 315 S CB -0.250 62.979 63.200 0.048 0.000 0.844 315 S HN 0.264 nan 8.310 nan 0.000 0.459 316 D N 1.646 122.109 120.400 0.105 0.000 2.126 316 D HA -0.121 4.519 4.640 -0.001 0.000 0.190 316 D C 1.911 178.201 176.300 -0.016 0.000 1.001 316 D CA 1.012 55.124 54.000 0.186 0.000 0.841 316 D CB -0.506 40.407 40.800 0.189 0.000 0.949 316 D HN 0.282 nan 8.370 nan 0.000 0.446 317 L N -0.135 121.060 121.223 -0.046 0.000 2.017 317 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 317 L C 2.461 179.142 176.870 -0.315 0.000 1.073 317 L CA 0.591 55.380 54.840 -0.084 0.000 0.745 317 L CB -0.243 41.846 42.059 0.051 0.000 0.894 317 L HN 0.091 nan 8.230 nan 0.000 0.432 318 L N -0.906 119.949 121.223 -0.613 0.000 2.072 318 L HA -0.118 4.221 4.340 -0.001 0.000 0.205 318 L C 2.282 178.449 176.870 -1.172 0.000 1.079 318 L CA 1.511 55.651 54.840 -1.168 0.000 0.752 318 L CB -0.283 40.775 42.059 -1.669 0.000 0.906 318 L HN -0.083 nan 8.230 nan 0.000 0.436 319 V N -0.133 119.224 119.914 -0.929 0.000 2.427 319 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 319 V C 2.278 178.180 176.094 -0.319 0.000 1.051 319 V CA 1.821 63.718 62.300 -0.672 0.000 1.048 319 V CB -0.732 30.651 31.823 -0.733 0.000 0.666 319 V HN 0.565 nan 8.190 nan 0.000 0.456 320 D N -0.643 119.636 120.400 -0.202 0.000 2.117 320 D HA -0.208 4.432 4.640 -0.001 0.000 0.197 320 D C 2.236 178.501 176.300 -0.058 0.000 0.987 320 D CA 1.204 55.198 54.000 -0.009 0.000 0.829 320 D CB 0.004 40.858 40.800 0.090 0.000 0.961 320 D HN 0.293 nan 8.370 nan 0.000 0.460 321 Q N -0.540 119.157 119.800 -0.172 0.000 2.084 321 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 321 Q C 2.150 178.159 176.000 0.014 0.000 0.978 321 Q CA 0.975 56.704 55.803 -0.123 0.000 0.844 321 Q CB -0.590 28.015 28.738 -0.223 0.000 0.898 321 Q HN 0.553 nan 8.270 nan 0.000 0.426 322 W N 1.463 122.649 121.300 -0.189 0.000 2.358 322 W HA -0.091 4.568 4.660 -0.001 0.000 0.303 322 W C 2.093 178.491 176.519 -0.200 0.000 1.208 322 W CA 0.726 57.962 57.345 -0.183 0.000 1.274 322 W CB -0.633 28.690 29.460 -0.229 0.000 1.138 322 W HN 0.209 nan 8.180 nan 0.000 0.515 323 K N 0.141 120.489 120.400 -0.087 0.000 2.148 323 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 323 K C 1.949 178.401 176.600 -0.247 0.000 1.050 323 K CA 1.175 57.266 56.287 -0.328 0.000 0.942 323 K CB -0.179 31.819 32.500 -0.836 0.000 0.724 323 K HN 0.060 nan 8.250 nan 0.000 0.446 324 K N 0.971 121.305 120.400 -0.109 0.000 2.025 324 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 324 K C 2.094 178.761 176.600 0.112 0.000 1.049 324 K CA 1.212 57.563 56.287 0.106 0.000 0.933 324 K CB -0.014 32.563 32.500 0.128 0.000 0.714 324 K HN 0.009 nan 8.250 nan 0.000 0.438 325 K N 0.811 121.281 120.400 0.117 0.000 2.063 325 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 325 K C 2.046 178.767 176.600 0.203 0.000 1.048 325 K CA 1.321 57.706 56.287 0.164 0.000 0.928 325 K CB -0.108 32.508 32.500 0.192 0.000 0.713 325 K HN 0.151 nan 8.250 nan 0.000 0.442 326 A N 1.177 124.098 122.820 0.170 0.000 2.019 326 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 326 A C 1.743 179.494 177.584 0.277 0.000 1.164 326 A CA 1.329 53.503 52.037 0.228 0.000 0.644 326 A CB -0.332 18.765 19.000 0.161 0.000 0.805 326 A HN 0.303 nan 8.150 nan 0.000 0.449 327 E N 0.051 120.391 120.200 0.234 0.000 2.265 327 E HA -0.105 4.244 4.350 -0.001 0.000 0.196 327 E C 1.616 178.343 176.600 0.213 0.000 0.996 327 E CA 0.714 57.262 56.400 0.246 0.000 0.832 327 E CB -0.259 29.612 29.700 0.285 0.000 0.756 327 E HN 0.732 nan 8.360 nan 0.000 0.491 328 L N -0.727 120.582 121.223 0.144 0.000 2.591 328 L HA 0.044 4.383 4.340 -0.001 0.000 0.228 328 L C 0.213 176.896 176.870 -0.313 0.000 1.133 328 L CA 0.221 55.019 54.840 -0.070 0.000 0.880 328 L CB -0.086 41.816 42.059 -0.261 0.000 1.033 328 L HN -0.007 nan 8.230 nan 0.000 0.450 329 Y N -1.616 118.766 120.300 0.138 0.000 2.602 329 Y HA 0.377 4.926 4.550 -0.001 0.000 0.342 329 Y C 1.110 177.122 175.900 0.187 0.000 1.029 329 Y CA -0.966 57.234 58.100 0.168 0.000 1.080 329 Y CB 1.299 39.867 38.460 0.182 0.000 1.284 329 Y HN -0.280 nan 8.280 nan 0.000 0.485 330 R N -0.483 120.251 120.500 0.390 0.000 2.254 330 R HA 0.080 4.420 4.340 -0.001 0.000 0.195 330 R C 0.315 176.738 176.300 0.205 0.000 0.957 330 R CA 0.759 56.998 56.100 0.230 0.000 1.024 330 R CB 0.252 30.622 30.300 0.118 0.000 0.952 330 R HN 0.746 nan 8.270 nan 0.000 0.484 331 T N -1.003 113.717 114.554 0.276 0.000 2.922 331 T HA 0.108 4.458 4.350 -0.001 0.000 0.281 331 T C 0.597 175.426 174.700 0.215 0.000 1.005 331 T CA -0.968 61.259 62.100 0.211 0.000 0.982 331 T CB 1.289 70.267 68.868 0.183 0.000 1.158 331 T HN 0.069 nan 8.240 nan 0.000 0.566 332 N N 0.151 118.950 118.700 0.164 0.000 2.346 332 N HA 0.127 4.867 4.740 -0.001 0.000 0.225 332 N C -0.685 174.833 175.510 0.012 0.000 1.144 332 N CA -0.348 52.761 53.050 0.098 0.000 0.837 332 N CB -0.193 38.237 38.487 -0.095 0.000 1.069 332 N HN 0.381 nan 8.380 nan 0.000 0.487 333 V N 1.228 121.175 119.914 0.055 0.000 2.409 333 V HA 0.423 4.543 4.120 -0.001 0.000 0.291 333 V C -0.639 175.552 176.094 0.161 0.000 1.020 333 V CA -0.974 61.362 62.300 0.060 0.000 0.848 333 V CB 1.572 33.404 31.823 0.016 0.000 0.990 333 V HN 0.167 nan 8.190 nan 0.000 0.430 334 L N 5.630 126.895 121.223 0.071 0.000 2.341 334 L HA 0.680 5.020 4.340 -0.001 0.000 0.278 334 L C -0.856 175.889 176.870 -0.208 0.000 1.005 334 L CA -0.499 54.294 54.840 -0.078 0.000 0.818 334 L CB 1.682 43.594 42.059 -0.244 0.000 1.259 334 L HN 0.636 nan 8.230 nan 0.000 0.418 335 L N 6.387 127.270 121.223 -0.567 0.000 2.265 335 L HA 0.541 4.880 4.340 -0.001 0.000 0.288 335 L C -0.991 175.597 176.870 -0.470 0.000 1.058 335 L CA 0.170 54.520 54.840 -0.815 0.000 0.809 335 L CB 0.657 41.746 42.059 -1.616 0.000 1.179 335 L HN 0.426 nan 8.230 nan 0.000 0.429 336 I N 7.541 127.915 120.570 -0.327 0.000 2.502 336 I HA 0.337 4.506 4.170 -0.001 0.000 0.276 336 I C -2.266 173.830 176.117 -0.035 0.000 1.057 336 I CA -2.054 59.145 61.300 -0.169 0.000 1.163 336 I CB 0.930 38.800 38.000 -0.217 0.000 1.288 336 I HN 0.419 nan 8.210 nan 0.000 0.479 337 P HA 0.135 nan 4.420 nan 0.000 0.269 337 P C -0.410 177.066 177.300 0.293 0.000 1.209 337 P CA -0.221 63.013 63.100 0.223 0.000 0.776 337 P CB 0.836 32.709 31.700 0.289 0.000 0.876 338 L N 2.903 124.337 121.223 0.351 0.000 2.462 338 L HA 0.749 5.089 4.340 -0.001 0.000 0.255 338 L C -0.108 176.829 176.870 0.113 0.000 1.076 338 L CA 0.383 55.355 54.840 0.219 0.000 0.920 338 L CB 0.446 42.572 42.059 0.112 0.000 1.214 338 L HN 0.616 nan 8.230 nan 0.000 0.472 339 G N 1.493 110.247 108.800 -0.076 0.000 2.342 339 G HA2 0.490 4.449 3.960 -0.001 0.000 0.297 339 G HA3 0.490 4.449 3.960 -0.001 0.000 0.297 339 G C -2.206 172.588 174.900 -0.177 0.000 1.313 339 G CA -0.272 44.538 45.100 -0.482 0.000 0.830 339 G HN 0.351 nan 8.290 nan 0.000 0.506 340 D N -1.721 118.634 120.400 -0.075 0.000 2.865 340 D HA 0.327 4.966 4.640 -0.001 0.000 0.343 340 D C -1.509 174.937 176.300 0.243 0.000 1.372 340 D CA -0.450 53.680 54.000 0.217 0.000 0.862 340 D CB 1.462 42.352 40.800 0.149 0.000 1.425 340 D HN 0.221 nan 8.370 nan 0.000 0.501 341 D N 0.391 120.997 120.400 0.343 0.000 2.417 341 D HA 0.218 4.858 4.640 -0.001 0.000 0.250 341 D C 0.160 176.649 176.300 0.315 0.000 1.166 341 D CA 0.479 54.686 54.000 0.345 0.000 0.881 341 D CB -0.269 40.837 40.800 0.509 0.000 1.164 341 D HN 0.333 nan 8.370 nan 0.000 0.467 342 F N 0.352 120.388 119.950 0.143 0.000 3.048 342 F HA -0.304 4.222 4.527 -0.001 0.000 0.269 342 F C 1.055 176.905 175.800 0.083 0.000 0.960 342 F CA 0.591 58.647 58.000 0.094 0.000 0.909 342 F CB -0.910 38.141 39.000 0.084 0.000 0.837 342 F HN 0.240 nan 8.300 nan 0.000 0.768 343 R N -0.419 120.179 120.500 0.164 0.000 2.649 343 R HA 0.462 4.801 4.340 -0.001 0.000 0.270 343 R C 0.696 177.039 176.300 0.071 0.000 1.105 343 R CA -0.649 55.434 56.100 -0.027 0.000 1.193 343 R CB -0.062 30.120 30.300 -0.197 0.000 1.120 343 R HN 0.209 nan 8.270 nan 0.000 0.561 344 F N -0.769 119.027 119.950 -0.256 0.000 3.056 344 F HA -0.267 4.260 4.527 -0.001 0.000 0.301 344 F C 1.341 177.117 175.800 -0.042 0.000 0.907 344 F CA 0.976 58.646 58.000 -0.551 0.000 1.113 344 F CB -1.089 37.306 39.000 -1.008 0.000 1.123 344 F HN 0.614 nan 8.300 nan 0.000 0.661 345 K N -0.131 120.327 120.400 0.097 0.000 2.078 345 K HA 0.048 4.368 4.320 -0.001 0.000 0.203 345 K C 0.649 177.378 176.600 0.215 0.000 1.043 345 K CA 0.901 57.304 56.287 0.194 0.000 0.960 345 K CB 0.232 32.809 32.500 0.128 0.000 0.761 345 K HN 0.372 nan 8.250 nan 0.000 0.448 346 Q N 0.500 120.403 119.800 0.171 0.000 2.230 346 Q HA 0.172 4.512 4.340 -0.001 0.000 0.248 346 Q C 0.198 176.376 176.000 0.297 0.000 0.915 346 Q CA -0.151 55.770 55.803 0.197 0.000 0.900 346 Q CB 1.406 30.279 28.738 0.225 0.000 1.229 346 Q HN 0.226 nan 8.270 nan 0.000 0.439 347 N N -0.053 118.788 118.700 0.234 0.000 2.104 347 N HA -0.223 4.517 4.740 -0.001 0.000 0.190 347 N C 1.372 177.028 175.510 0.244 0.000 1.024 347 N CA 1.772 54.960 53.050 0.230 0.000 0.853 347 N CB -0.044 38.530 38.487 0.145 0.000 1.008 347 N HN 0.754 nan 8.380 nan 0.000 0.424 348 T N -1.408 113.287 114.554 0.234 0.000 2.915 348 T HA -0.147 4.203 4.350 -0.001 0.000 0.269 348 T C 1.643 176.542 174.700 0.332 0.000 1.071 348 T CA 1.035 63.297 62.100 0.269 0.000 1.132 348 T CB -0.167 68.841 68.868 0.234 0.000 0.878 348 T HN 0.309 nan 8.240 nan 0.000 0.479 349 E N -0.193 120.151 120.200 0.241 0.000 2.072 349 E HA -0.097 4.253 4.350 -0.001 0.000 0.190 349 E C 1.808 178.316 176.600 -0.152 0.000 0.982 349 E CA 0.735 57.049 56.400 -0.143 0.000 0.803 349 E CB -0.264 29.187 29.700 -0.416 0.000 0.755 349 E HN 0.701 nan 8.360 nan 0.000 0.453 350 W N 1.796 123.003 121.300 -0.154 0.000 2.318 350 W HA -0.218 4.441 4.660 -0.001 0.000 0.313 350 W C 2.143 178.516 176.519 -0.242 0.000 1.221 350 W CA 1.392 58.549 57.345 -0.313 0.000 1.266 350 W CB -0.341 28.577 29.460 -0.903 0.000 1.150 350 W HN 0.196 nan 8.180 nan 0.000 0.496 351 D N -0.664 119.823 120.400 0.145 0.000 2.117 351 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 351 D C 2.288 178.685 176.300 0.162 0.000 0.982 351 D CA 1.396 55.540 54.000 0.240 0.000 0.828 351 D CB -0.917 40.030 40.800 0.244 0.000 0.967 351 D HN 0.029 nan 8.370 nan 0.000 0.464 352 V N 0.856 120.847 119.914 0.129 0.000 2.427 352 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 352 V C 2.169 178.303 176.094 0.066 0.000 1.051 352 V CA 1.503 63.861 62.300 0.097 0.000 1.048 352 V CB -0.043 31.883 31.823 0.172 0.000 0.666 352 V HN 0.138 nan 8.190 nan 0.000 0.456 353 Q N -0.269 119.603 119.800 0.119 0.000 2.049 353 Q HA -0.178 4.162 4.340 -0.001 0.000 0.198 353 Q C 2.338 178.541 176.000 0.338 0.000 0.971 353 Q CA 1.871 57.840 55.803 0.277 0.000 0.833 353 Q CB -0.462 28.409 28.738 0.221 0.000 0.896 353 Q HN 0.617 nan 8.270 nan 0.000 0.434 354 R N 0.442 121.112 120.500 0.285 0.000 2.073 354 R HA -0.091 4.248 4.340 -0.001 0.000 0.234 354 R C 2.215 178.694 176.300 0.300 0.000 1.134 354 R CA 1.294 57.621 56.100 0.378 0.000 0.952 354 R CB -0.034 30.489 30.300 0.372 0.000 0.850 354 R HN 0.055 nan 8.270 nan 0.000 0.433 355 V N 1.956 121.963 119.914 0.155 0.000 2.427 355 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 355 V C 1.978 178.019 176.094 -0.090 0.000 1.051 355 V CA 1.746 64.081 62.300 0.058 0.000 1.048 355 V CB -0.593 31.253 31.823 0.039 0.000 0.666 355 V HN 0.428 nan 8.190 nan 0.000 0.456 356 N N -0.514 118.021 118.700 -0.275 0.000 2.106 356 N HA -0.163 4.577 4.740 -0.001 0.000 0.188 356 N C 1.884 177.079 175.510 -0.525 0.000 1.029 356 N CA 1.670 54.336 53.050 -0.640 0.000 0.848 356 N CB -0.349 37.149 38.487 -1.649 0.000 1.007 356 N HN 0.504 nan 8.380 nan 0.000 0.423 357 Y N 2.013 122.112 120.300 -0.335 0.000 2.181 357 Y HA -0.116 4.434 4.550 -0.001 0.000 0.288 357 Y C 2.424 177.840 175.900 -0.808 0.000 1.146 357 Y CA 1.155 58.938 58.100 -0.527 0.000 1.164 357 Y CB -0.186 38.046 38.460 -0.379 0.000 0.982 357 Y HN 0.150 nan 8.280 nan 0.000 0.515 358 E N -0.275 119.806 120.200 -0.198 0.000 2.118 358 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 358 E C 2.246 178.806 176.600 -0.066 0.000 0.992 358 E CA 1.119 57.485 56.400 -0.057 0.000 0.804 358 E CB -0.135 29.642 29.700 0.128 0.000 0.741 358 E HN 0.462 nan 8.360 nan 0.000 0.458 359 R N 0.257 120.691 120.500 -0.110 0.000 2.075 359 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 359 R C 2.470 178.740 176.300 -0.051 0.000 1.126 359 R CA 0.851 56.912 56.100 -0.064 0.000 0.963 359 R CB -0.252 29.989 30.300 -0.097 0.000 0.858 359 R HN 0.161 nan 8.270 nan 0.000 0.435 360 L N -0.355 120.769 121.223 -0.166 0.000 2.017 360 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 360 L C 2.140 179.050 176.870 0.066 0.000 1.073 360 L CA 1.217 55.993 54.840 -0.108 0.000 0.745 360 L CB -0.430 41.475 42.059 -0.257 0.000 0.894 360 L HN 0.080 nan 8.230 nan 0.000 0.432 361 F N 0.194 120.160 119.950 0.027 0.000 2.134 361 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 361 F C 2.629 178.438 175.800 0.015 0.000 1.097 361 F CA 1.281 59.285 58.000 0.006 0.000 1.264 361 F CB -0.952 38.010 39.000 -0.063 0.000 1.001 361 F HN 0.200 nan 8.300 nan 0.000 0.479 362 E N -0.688 119.638 120.200 0.211 0.000 2.051 362 E HA -0.290 4.060 4.350 -0.001 0.000 0.192 362 E C 2.207 178.892 176.600 0.141 0.000 0.991 362 E CA 1.514 58.000 56.400 0.143 0.000 0.799 362 E CB -0.238 29.530 29.700 0.114 0.000 0.748 362 E HN 0.498 nan 8.360 nan 0.000 0.449 363 H N 0.186 119.302 119.070 0.077 0.000 2.299 363 H HA -0.059 4.497 4.556 -0.001 0.000 0.302 363 H C 2.048 177.458 175.328 0.137 0.000 1.078 363 H CA 2.219 58.324 56.048 0.096 0.000 1.323 363 H CB -0.168 29.648 29.762 0.089 0.000 1.381 363 H HN 0.155 nan 8.280 nan 0.000 0.498 364 I N 0.390 121.050 120.570 0.150 0.000 2.226 364 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 364 I C 1.650 177.799 176.117 0.054 0.000 1.100 364 I CA 1.310 62.656 61.300 0.076 0.000 1.374 364 I CB -0.269 37.703 38.000 -0.046 0.000 1.057 364 I HN 0.361 nan 8.210 nan 0.000 0.413 365 N N 0.198 118.918 118.700 0.034 0.000 2.459 365 N HA -0.100 4.640 4.740 -0.001 0.000 0.181 365 N C 1.836 177.327 175.510 -0.032 0.000 1.046 365 N CA 1.421 54.464 53.050 -0.012 0.000 0.904 365 N CB -0.194 38.280 38.487 -0.022 0.000 0.964 365 N HN 0.393 nan 8.380 nan 0.000 0.444 366 S N -0.869 114.804 115.700 -0.045 0.000 2.535 366 S HA 0.137 4.607 4.470 -0.001 0.000 0.214 366 S C 0.378 174.913 174.600 -0.108 0.000 0.980 366 S CA -0.214 57.949 58.200 -0.062 0.000 0.907 366 S CB 0.238 63.414 63.200 -0.039 0.000 0.790 366 S HN -0.064 nan 8.310 nan 0.000 0.510 367 Q N 1.504 121.203 119.800 -0.169 0.000 2.421 367 Q HA 0.609 4.949 4.340 -0.001 0.000 0.242 367 Q C 0.877 176.708 176.000 -0.281 0.000 1.024 367 Q CA 0.054 55.702 55.803 -0.259 0.000 0.891 367 Q CB 0.861 29.293 28.738 -0.512 0.000 1.222 367 Q HN 0.382 nan 8.270 nan 0.000 0.483 368 A N 2.759 125.496 122.820 -0.139 0.000 1.978 368 A HA -0.253 4.066 4.320 -0.001 0.000 0.220 368 A C 1.600 179.115 177.584 -0.115 0.000 1.170 368 A CA 1.985 53.965 52.037 -0.095 0.000 0.636 368 A CB -0.731 18.244 19.000 -0.042 0.000 0.810 368 A HN 0.903 nan 8.150 nan 0.000 0.448 369 H N -3.259 115.728 119.070 -0.138 0.000 2.489 369 H HA -0.057 4.498 4.556 -0.001 0.000 0.295 369 H C 1.334 176.594 175.328 -0.113 0.000 1.082 369 H CA 1.579 57.534 56.048 -0.154 0.000 1.295 369 H CB -0.589 29.026 29.762 -0.244 0.000 1.380 369 H HN 0.417 nan 8.280 nan 0.000 0.548 370 F N 0.834 120.507 119.950 -0.463 0.000 2.367 370 F HA 0.039 4.565 4.527 -0.001 0.000 0.298 370 F C 0.703 176.436 175.800 -0.111 0.000 1.094 370 F CA 0.540 58.404 58.000 -0.226 0.000 1.409 370 F CB -0.283 38.552 39.000 -0.275 0.000 1.064 370 F HN 0.162 nan 8.300 nan 0.000 0.528 371 N N 0.637 119.373 118.700 0.059 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.017 174.458 175.510 -0.057 0.000 1.031 371 N CA 0.456 53.520 53.050 0.023 0.000 0.720 371 N CB -1.503 37.046 38.487 0.104 0.000 0.930 371 N HN 0.036 nan 8.380 nan 0.000 0.543 372 V N 0.541 120.420 119.914 -0.059 0.000 2.735 372 V HA 0.422 4.542 4.120 -0.001 0.000 0.310 372 V C 0.094 176.108 176.094 -0.133 0.000 1.061 372 V CA -0.682 61.539 62.300 -0.131 0.000 0.913 372 V CB 2.516 34.287 31.823 -0.085 0.000 1.005 372 V HN 0.193 nan 8.190 nan 0.000 0.428 373 Q N 2.936 122.607 119.800 -0.215 0.000 2.339 373 Q HA 0.761 5.101 4.340 -0.001 0.000 0.268 373 Q C -0.836 174.921 176.000 -0.404 0.000 1.027 373 Q CA -0.131 55.521 55.803 -0.252 0.000 0.759 373 Q CB 1.651 30.245 28.738 -0.240 0.000 1.244 373 Q HN 1.012 nan 8.270 nan 0.000 0.464 374 A N 4.295 126.862 122.820 -0.421 0.000 2.350 374 A HA 0.913 5.232 4.320 -0.001 0.000 0.324 374 A C -1.232 175.686 177.584 -1.110 0.000 1.118 374 A CA -0.520 51.105 52.037 -0.687 0.000 0.783 374 A CB 1.268 20.072 19.000 -0.326 0.000 1.236 374 A HN 0.757 nan 8.150 nan 0.000 0.457 375 Q N 1.111 120.146 119.800 -1.275 0.000 2.575 375 Q HA 0.456 4.796 4.340 -0.001 0.000 0.290 375 Q C -1.669 173.881 176.000 -0.750 0.000 0.963 375 Q CA -0.690 54.393 55.803 -1.200 0.000 0.783 375 Q CB 0.517 28.922 28.738 -0.555 0.000 1.467 375 Q HN 0.383 nan 8.270 nan 0.000 0.402 376 F N 0.547 120.379 119.950 -0.198 0.000 2.518 376 F HA 0.619 5.146 4.527 -0.001 0.000 0.359 376 F C 1.256 177.093 175.800 0.062 0.000 1.118 376 F CA 1.433 59.459 58.000 0.043 0.000 1.287 376 F CB 0.844 39.932 39.000 0.148 0.000 1.132 376 F HN 0.750 nan 8.300 nan 0.000 0.587 377 G N 0.226 109.204 108.800 0.296 0.000 2.727 377 G HA2 0.611 4.570 3.960 -0.001 0.000 0.289 377 G HA3 0.611 4.570 3.960 -0.001 0.000 0.289 377 G C -1.092 173.816 174.900 0.013 0.000 1.418 377 G CA -0.619 44.601 45.100 0.199 0.000 0.818 377 G HN 0.722 nan 8.290 nan 0.000 0.486 378 T N -1.910 112.576 114.554 -0.112 0.000 2.937 378 T HA 0.477 4.827 4.350 -0.001 0.000 0.283 378 T C 1.284 175.835 174.700 -0.248 0.000 1.012 378 T CA -0.462 61.530 62.100 -0.181 0.000 0.997 378 T CB 1.525 70.300 68.868 -0.154 0.000 1.136 378 T HN 0.553 nan 8.240 nan 0.000 0.551 379 L N 0.566 121.641 121.223 -0.247 0.000 2.017 379 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 379 L C 2.776 179.604 176.870 -0.071 0.000 1.073 379 L CA 2.014 56.735 54.840 -0.198 0.000 0.745 379 L CB -1.121 40.859 42.059 -0.131 0.000 0.894 379 L HN 0.898 nan 8.230 nan 0.000 0.432 380 Q N -0.107 119.683 119.800 -0.018 0.000 2.124 380 Q HA -0.218 4.121 4.340 -0.001 0.000 0.202 380 Q C 2.058 177.998 176.000 -0.100 0.000 0.977 380 Q CA 1.900 57.726 55.803 0.038 0.000 0.850 380 Q CB -0.164 28.571 28.738 -0.006 0.000 0.901 380 Q HN 0.630 nan 8.270 nan 0.000 0.429 381 E N -1.141 118.910 120.200 -0.248 0.000 2.085 381 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 381 E C 1.695 177.854 176.600 -0.735 0.000 0.994 381 E CA 1.250 57.376 56.400 -0.457 0.000 0.801 381 E CB -0.334 29.027 29.700 -0.565 0.000 0.743 381 E HN 0.483 nan 8.360 nan 0.000 0.453 382 Y N 0.690 120.452 120.300 -0.896 0.000 2.070 382 Y HA -0.286 4.264 4.550 -0.001 0.000 0.280 382 Y C 1.933 177.541 175.900 -0.487 0.000 1.148 382 Y CA 1.692 59.303 58.100 -0.816 0.000 1.125 382 Y CB -0.515 37.502 38.460 -0.738 0.000 0.975 382 Y HN -0.061 nan 8.280 nan 0.000 0.492 383 F N 0.916 120.615 119.950 -0.419 0.000 2.171 383 F HA -0.193 4.333 4.527 -0.001 0.000 0.300 383 F C 2.256 177.839 175.800 -0.361 0.000 1.090 383 F CA 1.779 59.517 58.000 -0.437 0.000 1.293 383 F CB -0.877 38.056 39.000 -0.112 0.000 1.013 383 F HN 0.113 nan 8.300 nan 0.000 0.486 384 D N -0.027 120.329 120.400 -0.073 0.000 2.144 384 D HA -0.145 4.495 4.640 -0.001 0.000 0.199 384 D C 2.351 178.580 176.300 -0.119 0.000 0.984 384 D CA 1.447 55.412 54.000 -0.059 0.000 0.834 384 D CB -0.566 40.187 40.800 -0.079 0.000 0.955 384 D HN 0.241 nan 8.370 nan 0.000 0.465 385 A N 0.449 123.137 122.820 -0.220 0.000 1.930 385 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 385 A C 2.515 179.979 177.584 -0.199 0.000 1.175 385 A CA 0.915 52.866 52.037 -0.143 0.000 0.627 385 A CB -0.638 18.349 19.000 -0.022 0.000 0.815 385 A HN 0.132 nan 8.150 nan 0.000 0.443 386 V N -0.085 119.575 119.914 -0.424 0.000 2.287 386 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 386 V C 2.414 178.321 176.094 -0.312 0.000 1.053 386 V CA 2.134 64.180 62.300 -0.424 0.000 1.027 386 V CB -1.016 30.375 31.823 -0.721 0.000 0.646 386 V HN 0.652 nan 8.190 nan 0.000 0.447 387 H N -0.338 118.619 119.070 -0.188 0.000 2.462 387 H HA -0.063 4.492 4.556 -0.001 0.000 0.292 387 H C 2.408 177.700 175.328 -0.060 0.000 1.049 387 H CA 1.262 57.229 56.048 -0.135 0.000 1.334 387 H CB -0.036 29.608 29.762 -0.197 0.000 1.404 387 H HN 0.557 nan 8.280 nan 0.000 0.544 388 Q N 0.258 120.076 119.800 0.031 0.000 2.084 388 Q HA -0.062 4.278 4.340 -0.001 0.000 0.202 388 Q C 2.547 178.566 176.000 0.031 0.000 0.978 388 Q CA 1.242 57.060 55.803 0.025 0.000 0.844 388 Q CB 0.017 28.759 28.738 0.006 0.000 0.898 388 Q HN 0.399 nan 8.270 nan 0.000 0.426 389 A N 1.110 123.944 122.820 0.023 0.000 1.902 389 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 389 A C 1.938 179.553 177.584 0.051 0.000 1.181 389 A CA 1.621 53.685 52.037 0.045 0.000 0.623 389 A CB -0.562 18.468 19.000 0.050 0.000 0.818 389 A HN 0.454 nan 8.150 nan 0.000 0.443 390 E N -0.127 120.119 120.200 0.076 0.000 2.038 390 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 390 E C 2.216 178.854 176.600 0.063 0.000 1.000 390 E CA 1.276 57.729 56.400 0.088 0.000 0.803 390 E CB -0.164 29.691 29.700 0.258 0.000 0.750 390 E HN 0.586 nan 8.360 nan 0.000 0.448 391 R N -0.220 120.321 120.500 0.069 0.000 2.152 391 R HA -0.056 4.283 4.340 -0.001 0.000 0.232 391 R C 2.108 178.426 176.300 0.029 0.000 1.117 391 R CA 0.855 56.981 56.100 0.044 0.000 0.981 391 R CB -0.176 30.145 30.300 0.035 0.000 0.870 391 R HN 0.144 nan 8.270 nan 0.000 0.451 392 A N 0.320 123.158 122.820 0.031 0.000 2.235 392 A HA 0.186 4.505 4.320 -0.001 0.000 0.208 392 A C 1.339 178.934 177.584 0.019 0.000 1.172 392 A CA 0.768 52.821 52.037 0.026 0.000 0.786 392 A CB -0.175 18.847 19.000 0.036 0.000 0.804 392 A HN 0.452 nan 8.150 nan 0.000 0.479 393 G N -0.449 108.359 108.800 0.012 0.000 2.136 393 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.242 393 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.242 393 G C 0.715 175.607 174.900 -0.014 0.000 0.989 393 G CA 0.707 45.805 45.100 -0.003 0.000 0.682 393 G HN 0.971 nan 8.290 nan 0.000 0.522 394 Q N -0.601 119.196 119.800 -0.004 0.000 2.408 394 Q HA 0.671 5.010 4.340 -0.001 0.000 0.205 394 Q C 0.863 176.840 176.000 -0.039 0.000 0.919 394 Q CA 1.232 57.037 55.803 0.003 0.000 0.932 394 Q CB 0.401 29.177 28.738 0.063 0.000 1.058 394 Q HN 1.633 nan 8.270 nan 0.000 0.517 395 A N 1.077 123.829 122.820 -0.112 0.000 2.604 395 A HA 0.544 4.863 4.320 -0.001 0.000 0.295 395 A C -1.747 175.614 177.584 -0.372 0.000 1.067 395 A CA -0.925 50.950 52.037 -0.270 0.000 0.683 395 A CB 1.326 20.090 19.000 -0.394 0.000 1.281 395 A HN 0.393 nan 8.150 nan 0.000 0.407 396 E N 0.739 120.695 120.200 -0.406 0.000 2.248 396 E HA 0.728 5.078 4.350 -0.001 0.000 0.267 396 E C -1.728 174.663 176.600 -0.347 0.000 0.877 396 E CA -0.580 55.647 56.400 -0.288 0.000 0.759 396 E CB 1.740 31.388 29.700 -0.086 0.000 1.182 396 E HN 0.324 nan 8.360 nan 0.000 0.418 397 F N 2.059 122.110 119.950 0.169 0.000 2.422 397 F HA 0.417 4.944 4.527 -0.000 0.000 0.333 397 F C -1.833 174.066 175.800 0.165 0.000 1.095 397 F CA -2.333 55.791 58.000 0.207 0.000 1.038 397 F CB 1.068 40.269 39.000 0.334 0.000 1.156 397 F HN 0.356 nan 8.300 nan 0.000 0.483 398 P HA 0.174 nan 4.420 nan 0.000 0.274 398 P C -0.623 176.816 177.300 0.232 0.000 1.237 398 P CA -0.384 62.844 63.100 0.214 0.000 0.793 398 P CB 0.905 32.700 31.700 0.158 0.000 0.977 399 T N -0.394 114.250 114.554 0.150 0.000 2.909 399 T HA 0.654 5.004 4.350 -0.001 0.000 0.286 399 T C -0.273 174.458 174.700 0.051 0.000 1.002 399 T CA -0.764 61.415 62.100 0.131 0.000 1.074 399 T CB 0.920 69.844 68.868 0.094 0.000 0.984 399 T HN 0.450 nan 8.240 nan 0.000 0.495 400 L N 1.936 123.189 121.223 0.049 0.000 2.445 400 L HA 0.720 5.059 4.340 -0.001 0.000 0.262 400 L C -0.666 176.198 176.870 -0.010 0.000 0.974 400 L CA -0.426 54.337 54.840 -0.129 0.000 0.822 400 L CB 2.203 43.946 42.059 -0.527 0.000 1.339 400 L HN 1.111 nan 8.230 nan 0.000 0.409 401 S N 2.452 118.100 115.700 -0.087 0.000 2.599 401 S HA 1.059 5.529 4.470 -0.001 0.000 0.287 401 S C -0.335 174.191 174.600 -0.123 0.000 1.105 401 S CA -0.024 58.181 58.200 0.008 0.000 0.899 401 S CB 2.069 65.243 63.200 -0.044 0.000 1.100 401 S HN 1.663 nan 8.310 nan 0.000 0.482 402 G N 1.021 109.806 108.800 -0.024 0.000 2.331 402 G HA2 0.316 4.275 3.960 -0.001 0.000 0.479 402 G HA3 0.316 4.275 3.960 -0.001 0.000 0.479 402 G C -1.766 173.048 174.900 -0.145 0.000 1.262 402 G CA -0.018 44.976 45.100 -0.178 0.000 1.029 402 G HN 1.279 nan 8.290 nan 0.000 0.487 403 D N -1.683 118.505 120.400 -0.354 0.000 2.553 403 D HA 0.758 5.397 4.640 -0.001 0.000 0.249 403 D C -0.626 175.188 176.300 -0.811 0.000 1.062 403 D CA -1.053 52.756 54.000 -0.319 0.000 1.085 403 D CB 1.189 41.979 40.800 -0.017 0.000 1.350 403 D HN 0.392 nan 8.370 nan 0.000 0.575 404 F N -0.454 119.376 119.950 -0.201 0.000 2.623 404 F HA 0.391 4.917 4.527 -0.001 0.000 0.361 404 F C -0.968 174.658 175.800 -0.290 0.000 1.469 404 F CA -0.649 57.231 58.000 -0.200 0.000 1.126 404 F CB 0.191 39.102 39.000 -0.149 0.000 1.221 404 F HN 0.005 nan 8.300 nan 0.000 0.536 405 F N -0.722 119.410 119.950 0.304 0.000 2.561 405 F HA 0.564 5.091 4.527 -0.001 0.000 0.321 405 F C 0.626 176.686 175.800 0.434 0.000 1.065 405 F CA -1.423 56.821 58.000 0.407 0.000 0.934 405 F CB 1.506 40.740 39.000 0.389 0.000 1.215 405 F HN -0.276 nan 8.300 nan 0.000 0.471 406 T N 1.843 116.784 114.554 0.645 0.000 2.817 406 T HA 0.137 4.487 4.350 -0.001 0.000 0.293 406 T C -0.861 174.302 174.700 0.772 0.000 0.964 406 T CA -0.153 62.389 62.100 0.736 0.000 1.085 406 T CB 0.057 69.232 68.868 0.511 0.000 0.921 406 T HN 0.360 nan 8.240 nan 0.000 0.502 407 Y N 3.026 123.648 120.300 0.536 0.000 2.610 407 Y HA 0.391 4.941 4.550 -0.001 0.000 0.332 407 Y C -0.090 175.859 175.900 0.081 0.000 1.201 407 Y CA -1.202 57.042 58.100 0.239 0.000 1.465 407 Y CB 0.052 38.521 38.460 0.015 0.000 1.283 407 Y HN 0.684 nan 8.280 nan 0.000 0.563 408 A N 5.270 127.699 122.820 -0.651 0.000 2.374 408 A HA 0.374 4.693 4.320 -0.001 0.000 0.305 408 A C -0.016 177.011 177.584 -0.929 0.000 1.053 408 A CA -0.260 51.221 52.037 -0.926 0.000 0.726 408 A CB 0.673 18.872 19.000 -1.335 0.000 1.229 408 A HN 0.794 nan 8.150 nan 0.000 0.431 409 D N 1.624 121.595 120.400 -0.714 0.000 2.346 409 D HA 0.051 4.691 4.640 -0.001 0.000 0.206 409 D C 0.514 176.832 176.300 0.030 0.000 1.001 409 D CA 0.518 54.348 54.000 -0.283 0.000 0.871 409 D CB 0.166 40.883 40.800 -0.140 0.000 0.943 409 D HN 0.723 nan 8.370 nan 0.000 0.518 410 R N -2.302 118.157 120.500 -0.070 0.000 2.687 410 R HA 0.421 4.760 4.340 -0.001 0.000 0.265 410 R C -0.237 175.960 176.300 -0.172 0.000 1.048 410 R CA -0.270 55.640 56.100 -0.317 0.000 0.884 410 R CB 0.833 31.016 30.300 -0.195 0.000 1.258 410 R HN -0.108 nan 8.270 nan 0.000 0.469 411 S N 0.221 115.776 115.700 -0.241 0.000 3.938 411 S HA -0.279 4.191 4.470 -0.001 0.000 0.624 411 S C 0.342 175.020 174.600 0.130 0.000 2.186 411 S CA 1.842 60.036 58.200 -0.010 0.000 4.144 411 S CB -1.050 62.130 63.200 -0.034 0.000 0.230 411 S HN 1.093 nan 8.310 nan 0.000 0.755 412 D N 1.417 121.883 120.400 0.110 0.000 2.427 412 D HA 0.191 4.831 4.640 -0.001 0.000 0.224 412 D C 0.032 176.439 176.300 0.178 0.000 1.157 412 D CA -0.117 54.013 54.000 0.215 0.000 0.828 412 D CB -1.383 39.530 40.800 0.188 0.000 0.974 412 D HN 0.491 nan 8.370 nan 0.000 0.498 413 N N 0.923 119.630 118.700 0.011 0.000 2.807 413 N HA 0.063 4.802 4.740 -0.001 0.000 0.259 413 N C -0.959 174.569 175.510 0.030 0.000 1.149 413 N CA -0.339 52.722 53.050 0.018 0.000 1.042 413 N CB 0.189 38.671 38.487 -0.009 0.000 1.367 413 N HN 0.131 nan 8.380 nan 0.000 0.516 414 Y N 0.231 120.618 120.300 0.146 0.000 2.313 414 Y HA 0.126 4.675 4.550 -0.001 0.000 0.332 414 Y C 0.080 176.174 175.900 0.323 0.000 1.071 414 Y CA -0.664 57.584 58.100 0.248 0.000 1.169 414 Y CB 0.612 39.167 38.460 0.159 0.000 1.192 414 Y HN 0.396 nan 8.280 nan 0.000 0.487 415 W N 2.399 123.827 121.300 0.213 0.000 1.809 415 W HA 0.233 4.893 4.660 -0.001 0.000 0.399 415 W C 0.842 177.406 176.519 0.076 0.000 0.636 415 W CA -0.686 56.814 57.345 0.258 0.000 2.178 415 W CB -0.524 29.183 29.460 0.412 0.000 1.632 415 W HN 0.547 nan 8.180 nan 0.000 0.470 416 S N -2.059 113.674 115.700 0.055 0.000 2.535 416 S HA 0.132 4.601 4.470 -0.001 0.000 0.214 416 S C 1.940 176.285 174.600 -0.425 0.000 0.980 416 S CA 0.345 58.235 58.200 -0.516 0.000 0.907 416 S CB 0.158 63.373 63.200 0.025 0.000 0.790 416 S HN 0.331 nan 8.310 nan 0.000 0.510 417 G N 1.979 110.716 108.800 -0.105 0.000 2.408 417 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 417 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 417 G C 1.263 176.141 174.900 -0.036 0.000 1.150 417 G CA 0.907 45.956 45.100 -0.084 0.000 0.776 417 G HN 0.796 nan 8.290 nan 0.000 0.542 418 Y N -0.550 119.719 120.300 -0.050 0.000 2.616 418 Y HA 0.163 4.713 4.550 -0.001 0.000 0.296 418 Y C 1.875 177.892 175.900 0.195 0.000 1.154 418 Y CA -0.404 57.743 58.100 0.079 0.000 1.325 418 Y CB -0.383 38.204 38.460 0.211 0.000 1.007 418 Y HN 0.173 nan 8.280 nan 0.000 0.542 419 Y N 0.767 120.844 120.300 -0.371 0.000 2.483 419 Y HA -0.061 4.489 4.550 -0.001 0.000 0.291 419 Y C 1.791 177.641 175.900 -0.083 0.000 1.143 419 Y CA 0.739 58.665 58.100 -0.289 0.000 1.289 419 Y CB -0.848 37.476 38.460 -0.227 0.000 0.983 419 Y HN 0.307 nan 8.280 nan 0.000 0.556 420 T N -2.825 111.795 114.554 0.109 0.000 2.964 420 T HA 0.033 4.382 4.350 -0.001 0.000 0.250 420 T C 0.718 175.503 174.700 0.143 0.000 0.982 420 T CA 0.111 62.277 62.100 0.110 0.000 0.959 420 T CB -0.023 68.881 68.868 0.060 0.000 1.141 420 T HN 0.059 nan 8.240 nan 0.000 0.494 421 S N 1.738 117.521 115.700 0.137 0.000 2.573 421 S HA 0.082 4.552 4.470 -0.001 0.000 0.297 421 S C 0.251 174.984 174.600 0.222 0.000 1.280 421 S CA 0.058 58.351 58.200 0.155 0.000 1.061 421 S CB -0.074 63.206 63.200 0.133 0.000 0.812 421 S HN 0.388 nan 8.310 nan 0.000 0.500 422 R N 2.340 122.987 120.500 0.246 0.000 3.209 422 R HA -0.099 4.240 4.340 -0.001 0.000 0.252 422 R C -2.062 174.485 176.300 0.413 0.000 0.958 422 R CA 0.862 57.182 56.100 0.366 0.000 0.651 422 R CB -1.711 28.837 30.300 0.414 0.000 1.142 422 R HN 0.563 nan 8.270 nan 0.000 0.441 423 P HA -0.211 nan 4.420 nan 0.000 0.223 423 P C 1.117 178.624 177.300 0.345 0.000 1.151 423 P CA 0.906 64.221 63.100 0.358 0.000 0.787 423 P CB -0.011 31.945 31.700 0.425 0.000 0.788 424 Y N 1.553 121.938 120.300 0.143 0.000 2.128 424 Y HA -0.268 4.282 4.550 -0.001 0.000 0.284 424 Y C 2.301 178.182 175.900 -0.032 0.000 1.154 424 Y CA 2.119 60.218 58.100 -0.002 0.000 1.149 424 Y CB -0.914 37.409 38.460 -0.229 0.000 0.976 424 Y HN 0.071 nan 8.280 nan 0.000 0.505 425 H N -0.938 118.376 119.070 0.407 0.000 2.470 425 H HA 0.019 4.575 4.556 -0.001 0.000 0.289 425 H C 2.053 177.530 175.328 0.247 0.000 1.033 425 H CA 1.200 57.412 56.048 0.273 0.000 1.331 425 H CB -0.060 29.927 29.762 0.375 0.000 1.414 425 H HN 0.240 nan 8.280 nan 0.000 0.545 426 K N 0.412 121.032 120.400 0.367 0.000 2.063 426 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 426 K C 2.253 178.912 176.600 0.097 0.000 1.048 426 K CA 1.321 57.760 56.287 0.253 0.000 0.928 426 K CB 0.047 32.675 32.500 0.212 0.000 0.713 426 K HN 0.033 nan 8.250 nan 0.000 0.442 427 R N 1.381 121.908 120.500 0.046 0.000 2.075 427 R HA -0.016 4.323 4.340 -0.001 0.000 0.232 427 R C 2.074 178.139 176.300 -0.391 0.000 1.126 427 R CA 1.447 57.501 56.100 -0.076 0.000 0.963 427 R CB -0.431 29.913 30.300 0.073 0.000 0.858 427 R HN 0.169 nan 8.270 nan 0.000 0.435 428 M N 0.276 119.525 119.600 -0.585 0.000 2.149 428 M HA -0.214 4.266 4.480 -0.001 0.000 0.261 428 M C 1.470 177.461 176.300 -0.516 0.000 1.064 428 M CA 2.445 57.174 55.300 -0.952 0.000 1.102 428 M CB -0.348 31.880 32.600 -0.620 0.000 1.369 428 M HN 0.289 nan 8.290 nan 0.000 0.408 429 D N -0.262 120.015 120.400 -0.206 0.000 2.116 429 D HA -0.226 4.413 4.640 -0.001 0.000 0.193 429 D C 1.897 178.122 176.300 -0.125 0.000 0.998 429 D CA 1.538 55.515 54.000 -0.039 0.000 0.836 429 D CB 0.102 41.020 40.800 0.198 0.000 0.951 429 D HN 0.227 nan 8.370 nan 0.000 0.449 430 R N 0.023 120.424 120.500 -0.164 0.000 2.115 430 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 430 R C 2.430 178.586 176.300 -0.240 0.000 1.100 430 R CA 0.439 56.432 56.100 -0.178 0.000 0.980 430 R CB -0.934 29.278 30.300 -0.147 0.000 0.875 430 R HN 0.266 nan 8.270 nan 0.000 0.445 431 V N 1.494 121.197 119.914 -0.351 0.000 2.270 431 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 431 V C 2.375 178.345 176.094 -0.206 0.000 1.043 431 V CA 1.503 63.586 62.300 -0.362 0.000 1.014 431 V CB -0.595 30.819 31.823 -0.681 0.000 0.645 431 V HN 0.136 nan 8.190 nan 0.000 0.447 432 L N -0.349 120.746 121.223 -0.213 0.000 2.083 432 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 432 L C 2.319 179.137 176.870 -0.087 0.000 1.083 432 L CA 2.061 56.847 54.840 -0.091 0.000 0.752 432 L CB -0.685 41.300 42.059 -0.124 0.000 0.899 432 L HN 0.340 nan 8.230 nan 0.000 0.433 433 M N -1.343 118.179 119.600 -0.130 0.000 2.073 433 M HA -0.334 4.146 4.480 -0.001 0.000 0.258 433 M C 2.382 178.583 176.300 -0.166 0.000 1.070 433 M CA 2.435 57.641 55.300 -0.155 0.000 1.103 433 M CB -0.417 32.058 32.600 -0.208 0.000 1.321 433 M HN 0.554 nan 8.290 nan 0.000 0.405 434 H N -0.848 118.061 119.070 -0.268 0.000 2.357 434 H HA -0.151 4.404 4.556 -0.001 0.000 0.301 434 H C 1.461 176.650 175.328 -0.233 0.000 1.082 434 H CA 2.375 58.242 56.048 -0.303 0.000 1.342 434 H CB -0.463 29.035 29.762 -0.439 0.000 1.389 434 H HN 0.573 nan 8.280 nan 0.000 0.511 435 Y N -0.955 119.203 120.300 -0.236 0.000 2.373 435 Y HA -0.117 4.433 4.550 -0.001 0.000 0.293 435 Y C 2.568 178.346 175.900 -0.204 0.000 1.129 435 Y CA 0.491 58.444 58.100 -0.244 0.000 1.226 435 Y CB 0.234 38.626 38.460 -0.114 0.000 1.000 435 Y HN 0.107 nan 8.280 nan 0.000 0.549 436 V N 0.361 120.249 119.914 -0.043 0.000 2.295 436 V HA -0.331 3.788 4.120 -0.001 0.000 0.246 436 V C 2.429 178.464 176.094 -0.099 0.000 1.049 436 V CA 2.158 64.416 62.300 -0.070 0.000 1.024 436 V CB -0.564 31.210 31.823 -0.082 0.000 0.648 436 V HN 0.350 nan 8.190 nan 0.000 0.447 437 R N 0.399 120.808 120.500 -0.150 0.000 2.083 437 R HA -0.198 4.141 4.340 -0.001 0.000 0.237 437 R C 2.243 178.488 176.300 -0.092 0.000 1.137 437 R CA 1.949 57.972 56.100 -0.129 0.000 0.951 437 R CB -0.492 29.717 30.300 -0.152 0.000 0.851 437 R HN 0.470 nan 8.270 nan 0.000 0.434 438 A N 0.571 123.293 122.820 -0.163 0.000 1.898 438 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 438 A C 2.360 179.954 177.584 0.016 0.000 1.181 438 A CA 1.544 53.576 52.037 -0.008 0.000 0.620 438 A CB -0.702 18.270 19.000 -0.046 0.000 0.819 438 A HN 0.570 nan 8.150 nan 0.000 0.442 439 A N -0.173 122.643 122.820 -0.006 0.000 1.898 439 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 439 A C 1.940 179.498 177.584 -0.044 0.000 1.181 439 A CA 1.529 53.555 52.037 -0.018 0.000 0.620 439 A CB -0.483 18.499 19.000 -0.030 0.000 0.819 439 A HN 0.614 nan 8.150 nan 0.000 0.442 440 E N -0.954 119.212 120.200 -0.056 0.000 2.072 440 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 440 E C 2.070 178.620 176.600 -0.083 0.000 0.985 440 E CA 1.360 57.714 56.400 -0.076 0.000 0.801 440 E CB -0.259 29.394 29.700 -0.079 0.000 0.750 440 E HN 0.749 nan 8.360 nan 0.000 0.452 441 M N 0.745 120.319 119.600 -0.044 0.000 2.077 441 M HA -0.151 4.328 4.480 -0.001 0.000 0.261 441 M C 2.188 178.490 176.300 0.004 0.000 1.070 441 M CA 1.376 56.650 55.300 -0.044 0.000 1.125 441 M CB 0.021 32.690 32.600 0.115 0.000 1.339 441 M HN 0.073 nan 8.290 nan 0.000 0.409 442 L N 0.096 121.384 121.223 0.108 0.000 2.083 442 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 442 L C 2.631 179.679 176.870 0.296 0.000 1.083 442 L CA 1.692 56.661 54.840 0.216 0.000 0.752 442 L CB -0.515 41.526 42.059 -0.030 0.000 0.899 442 L HN 0.521 nan 8.230 nan 0.000 0.433 443 S N -0.985 114.808 115.700 0.155 0.000 2.496 443 S HA 0.057 4.526 4.470 -0.001 0.000 0.224 443 S C 1.968 176.756 174.600 0.313 0.000 0.996 443 S CA 0.405 58.772 58.200 0.277 0.000 0.927 443 S CB -0.001 63.169 63.200 -0.051 0.000 0.774 443 S HN 0.299 nan 8.310 nan 0.000 0.524 444 A N 0.850 123.673 122.820 0.006 0.000 2.066 444 A HA 0.115 4.435 4.320 -0.001 0.000 0.218 444 A C 1.684 179.168 177.584 -0.167 0.000 1.157 444 A CA 0.672 52.611 52.037 -0.163 0.000 0.670 444 A CB -1.143 17.610 19.000 -0.412 0.000 0.804 444 A HN 0.754 nan 8.150 nan 0.000 0.453 445 W N -0.618 120.702 121.300 0.034 0.000 2.421 445 W HA -0.008 4.652 4.660 -0.001 0.000 0.270 445 W C 0.877 177.194 176.519 -0.337 0.000 1.233 445 W CA 0.939 58.209 57.345 -0.126 0.000 1.226 445 W CB -0.149 29.207 29.460 -0.174 0.000 1.121 445 W HN 0.387 nan 8.180 nan 0.000 0.579 446 H N -2.218 116.907 119.070 0.092 0.000 2.771 446 H HA 0.380 4.936 4.556 -0.001 0.000 0.367 446 H C -0.287 174.934 175.328 -0.178 0.000 1.172 446 H CA -0.884 55.056 56.048 -0.181 0.000 1.186 446 H CB 1.599 31.008 29.762 -0.588 0.000 1.790 446 H HN -0.430 nan 8.280 nan 0.000 0.556 447 S N 0.842 116.496 115.700 -0.076 0.000 2.562 447 S HA 0.213 4.683 4.470 -0.001 0.000 0.275 447 S C -1.114 173.377 174.600 -0.182 0.000 1.281 447 S CA -0.615 57.563 58.200 -0.036 0.000 1.045 447 S CB 0.272 63.465 63.200 -0.012 0.000 0.962 447 S HN 0.330 nan 8.310 nan 0.000 0.503 448 W N 1.237 122.539 121.300 0.003 0.000 2.666 448 W HA 0.353 5.013 4.660 -0.001 0.000 0.334 448 W C 0.032 176.510 176.519 -0.069 0.000 1.051 448 W CA -0.906 56.413 57.345 -0.044 0.000 1.224 448 W CB 0.549 29.948 29.460 -0.102 0.000 1.405 448 W HN 0.580 nan 8.180 nan 0.000 0.513 449 D N 0.755 121.236 120.400 0.136 0.000 2.449 449 D HA 0.141 4.781 4.640 -0.001 0.000 0.236 449 D C 1.639 177.942 176.300 0.006 0.000 1.149 449 D CA 1.196 55.238 54.000 0.070 0.000 0.878 449 D CB 1.162 42.031 40.800 0.116 0.000 1.198 449 D HN 0.564 nan 8.370 nan 0.000 0.446 450 G N 2.807 111.616 108.800 0.015 0.000 2.462 450 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 450 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 450 G C 1.347 176.221 174.900 -0.042 0.000 1.121 450 G CA 0.302 45.396 45.100 -0.009 0.000 0.758 450 G HN 0.499 nan 8.290 nan 0.000 0.559 451 M N 0.957 120.547 119.600 -0.018 0.000 2.460 451 M HA 0.043 4.523 4.480 -0.001 0.000 0.263 451 M C 2.783 179.004 176.300 -0.132 0.000 1.071 451 M CA 0.973 56.285 55.300 0.020 0.000 1.096 451 M CB -0.502 32.206 32.600 0.181 0.000 1.408 451 M HN 0.345 nan 8.290 nan 0.000 0.463 452 A N -0.140 122.364 122.820 -0.527 0.000 2.119 452 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 452 A C 1.242 178.616 177.584 -0.352 0.000 1.153 452 A CA 0.534 52.044 52.037 -0.878 0.000 0.692 452 A CB -0.297 18.033 19.000 -1.118 0.000 0.799 452 A HN 0.601 nan 8.150 nan 0.000 0.458 453 R N -1.895 118.479 120.500 -0.211 0.000 3.770 453 R HA -0.175 4.164 4.340 -0.001 0.000 0.305 453 R C 0.670 176.859 176.300 -0.184 0.000 1.184 453 R CA 0.740 56.758 56.100 -0.136 0.000 0.823 453 R CB -2.161 28.093 30.300 -0.076 0.000 1.285 453 R HN 0.486 nan 8.270 nan 0.000 0.499 454 I N 0.515 120.925 120.570 -0.266 0.000 2.163 454 I HA -0.182 3.988 4.170 -0.001 0.000 0.240 454 I C 2.112 178.105 176.117 -0.208 0.000 1.081 454 I CA 1.672 62.766 61.300 -0.343 0.000 1.353 454 I CB -0.675 36.956 38.000 -0.614 0.000 1.054 454 I HN 0.192 nan 8.210 nan 0.000 0.407 455 E N 0.741 120.858 120.200 -0.138 0.000 2.110 455 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 455 E C 2.076 178.632 176.600 -0.074 0.000 0.988 455 E CA 1.135 57.484 56.400 -0.086 0.000 0.804 455 E CB -0.227 29.446 29.700 -0.045 0.000 0.745 455 E HN 0.477 nan 8.360 nan 0.000 0.458 456 E N 0.475 120.633 120.200 -0.071 0.000 2.038 456 E HA -0.257 4.093 4.350 -0.001 0.000 0.195 456 E C 1.932 178.494 176.600 -0.064 0.000 1.000 456 E CA 1.101 57.469 56.400 -0.054 0.000 0.803 456 E CB 0.093 29.765 29.700 -0.046 0.000 0.750 456 E HN -0.031 nan 8.360 nan 0.000 0.448 457 R N 0.308 120.757 120.500 -0.085 0.000 2.092 457 R HA -0.014 4.326 4.340 -0.001 0.000 0.231 457 R C 2.393 178.641 176.300 -0.087 0.000 1.119 457 R CA 0.928 56.978 56.100 -0.083 0.000 0.970 457 R CB -0.504 29.737 30.300 -0.099 0.000 0.864 457 R HN 0.286 nan 8.270 nan 0.000 0.440 458 L N -0.119 121.042 121.223 -0.102 0.000 2.093 458 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 458 L C 2.372 179.187 176.870 -0.092 0.000 1.085 458 L CA 1.497 56.278 54.840 -0.098 0.000 0.755 458 L CB -0.420 41.575 42.059 -0.106 0.000 0.904 458 L HN 0.300 nan 8.230 nan 0.000 0.435 459 E N 0.190 120.340 120.200 -0.084 0.000 2.077 459 E HA -0.308 4.041 4.350 -0.001 0.000 0.193 459 E C 2.208 178.746 176.600 -0.103 0.000 0.989 459 E CA 1.385 57.731 56.400 -0.090 0.000 0.800 459 E CB -0.010 29.658 29.700 -0.053 0.000 0.746 459 E HN 0.427 nan 8.360 nan 0.000 0.452 460 Q N 0.017 119.774 119.800 -0.072 0.000 2.061 460 Q HA -0.216 4.124 4.340 -0.001 0.000 0.204 460 Q C 2.088 178.046 176.000 -0.069 0.000 0.984 460 Q CA 1.741 57.509 55.803 -0.059 0.000 0.846 460 Q CB -0.258 28.456 28.738 -0.039 0.000 0.902 460 Q HN 0.356 nan 8.270 nan 0.000 0.421 461 A N 1.043 123.820 122.820 -0.073 0.000 1.877 461 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 461 A C 2.091 179.622 177.584 -0.088 0.000 1.186 461 A CA 1.526 53.521 52.037 -0.069 0.000 0.620 461 A CB -0.539 18.422 19.000 -0.066 0.000 0.822 461 A HN 0.389 nan 8.150 nan 0.000 0.443 462 R N -0.806 119.622 120.500 -0.120 0.000 2.081 462 R HA -0.101 4.238 4.340 -0.001 0.000 0.235 462 R C 2.449 178.614 176.300 -0.226 0.000 1.131 462 R CA 1.609 57.615 56.100 -0.158 0.000 0.960 462 R CB -0.283 29.910 30.300 -0.178 0.000 0.856 462 R HN 0.494 nan 8.270 nan 0.000 0.436 463 R N 0.257 120.596 120.500 -0.269 0.000 2.090 463 R HA -0.065 4.274 4.340 -0.001 0.000 0.228 463 R C 2.101 178.352 176.300 -0.081 0.000 1.110 463 R CA 0.901 56.781 56.100 -0.367 0.000 0.973 463 R CB 0.016 30.130 30.300 -0.309 0.000 0.869 463 R HN 0.184 nan 8.270 nan 0.000 0.440 464 E N 0.836 121.021 120.200 -0.025 0.000 2.072 464 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 464 E C 1.974 178.617 176.600 0.072 0.000 0.985 464 E CA 0.799 57.227 56.400 0.047 0.000 0.801 464 E CB -0.233 29.483 29.700 0.028 0.000 0.750 464 E HN 0.149 nan 8.360 nan 0.000 0.452 465 L N 1.176 122.412 121.223 0.021 0.000 2.056 465 L HA -0.072 4.267 4.340 -0.001 0.000 0.207 465 L C 2.168 179.091 176.870 0.087 0.000 1.078 465 L CA 1.559 56.429 54.840 0.049 0.000 0.749 465 L CB -0.584 41.468 42.059 -0.012 0.000 0.901 465 L HN -0.096 nan 8.230 nan 0.000 0.433 466 S N -0.383 115.335 115.700 0.030 0.000 2.368 466 S HA -0.187 4.283 4.470 -0.001 0.000 0.225 466 S C 1.846 176.587 174.600 0.234 0.000 1.030 466 S CA 1.581 59.826 58.200 0.075 0.000 0.999 466 S CB -0.598 62.543 63.200 -0.097 0.000 0.844 466 S HN 0.458 nan 8.310 nan 0.000 0.459 467 L N 0.724 122.132 121.223 0.308 0.000 2.042 467 L HA -0.043 4.296 4.340 -0.001 0.000 0.210 467 L C 1.876 178.853 176.870 0.178 0.000 1.076 467 L CA 1.668 56.682 54.840 0.291 0.000 0.749 467 L CB -0.652 41.558 42.059 0.251 0.000 0.893 467 L HN 0.300 nan 8.230 nan 0.000 0.432 468 F N -0.325 119.603 119.950 -0.037 0.000 2.451 468 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 468 F C 2.185 177.910 175.800 -0.125 0.000 1.101 468 F CA 0.852 58.719 58.000 -0.221 0.000 1.436 468 F CB -0.211 38.699 39.000 -0.151 0.000 1.074 468 F HN 0.248 nan 8.300 nan 0.000 0.553 469 Q N -0.379 119.385 119.800 -0.060 0.000 2.436 469 Q HA -0.145 4.195 4.340 -0.001 0.000 0.209 469 Q C 0.527 176.470 176.000 -0.095 0.000 0.965 469 Q CA 0.471 56.217 55.803 -0.094 0.000 0.910 469 Q CB -1.329 27.423 28.738 0.024 0.000 0.980 469 Q HN 0.503 nan 8.270 nan 0.000 0.491 470 H N 1.969 120.927 119.070 -0.186 0.000 3.073 470 H HA -0.116 4.439 4.556 -0.001 0.000 0.340 470 H C 1.355 176.530 175.328 -0.255 0.000 1.054 470 H CA 0.763 56.696 56.048 -0.190 0.000 1.372 470 H CB 0.559 30.224 29.762 -0.162 0.000 1.314 470 H HN 0.247 nan 8.280 nan 0.000 0.603 471 H N 2.030 120.670 119.070 -0.717 0.000 2.563 471 H HA -0.017 4.538 4.556 -0.001 0.000 0.272 471 H C -0.313 174.566 175.328 -0.748 0.000 1.005 471 H CA 0.758 56.350 56.048 -0.760 0.000 1.171 471 H CB 0.299 29.619 29.762 -0.736 0.000 1.351 471 H HN 0.609 nan 8.280 nan 0.000 0.602 472 D N 0.393 120.073 120.400 -1.199 0.000 2.469 472 D HA 0.128 4.768 4.640 -0.001 0.000 0.215 472 D C 1.606 177.880 176.300 -0.043 0.000 1.154 472 D CA 0.326 54.148 54.000 -0.296 0.000 0.832 472 D CB 0.841 41.683 40.800 0.070 0.000 1.008 472 D HN 0.533 nan 8.370 nan 0.000 0.506 473 G N 1.245 109.821 108.800 -0.373 0.000 2.600 473 G HA2 0.002 3.962 3.960 -0.001 0.000 0.225 473 G HA3 0.002 3.962 3.960 -0.001 0.000 0.225 473 G C 1.347 175.669 174.900 -0.963 0.000 1.623 473 G CA -0.214 44.427 45.100 -0.766 0.000 0.903 473 G HN 0.193 nan 8.290 nan 0.000 0.574 474 I N 1.996 121.731 120.570 -1.393 0.000 2.423 474 I HA -0.191 3.978 4.170 -0.001 0.000 0.254 474 I C 2.934 178.953 176.117 -0.163 0.000 1.151 474 I CA 2.106 62.889 61.300 -0.861 0.000 1.421 474 I CB -0.053 37.607 38.000 -0.566 0.000 1.079 474 I HN 0.386 nan 8.210 nan 0.000 0.431 475 T N -1.600 112.907 114.554 -0.079 0.000 2.929 475 T HA -0.011 4.338 4.350 -0.001 0.000 0.271 475 T C 1.553 176.389 174.700 0.226 0.000 1.085 475 T CA 0.717 62.949 62.100 0.220 0.000 1.125 475 T CB -0.588 68.411 68.868 0.219 0.000 0.874 475 T HN 0.657 nan 8.240 nan 0.000 0.494 476 G N 1.306 110.199 108.800 0.154 0.000 2.176 476 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.252 476 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.252 476 G C 0.563 175.533 174.900 0.116 0.000 1.024 476 G CA 0.689 45.903 45.100 0.190 0.000 0.755 476 G HN 1.181 nan 8.290 nan 0.000 0.507 477 T N -3.412 111.201 114.554 0.098 0.000 3.174 477 T HA 0.735 5.085 4.350 -0.001 0.000 0.269 477 T C 0.879 175.782 174.700 0.340 0.000 1.017 477 T CA 1.056 63.150 62.100 -0.010 0.000 0.899 477 T CB 0.970 69.629 68.868 -0.349 0.000 1.077 477 T HN 1.576 nan 8.240 nan 0.000 0.552 478 A N 1.292 124.327 122.820 0.359 0.000 2.281 478 A HA 0.681 5.001 4.320 -0.001 0.000 0.329 478 A C 0.203 177.896 177.584 0.182 0.000 1.122 478 A CA -0.934 51.350 52.037 0.412 0.000 0.850 478 A CB 0.854 20.128 19.000 0.457 0.000 1.207 478 A HN 0.391 nan 8.150 nan 0.000 0.495 479 K N -0.095 120.341 120.400 0.059 0.000 2.336 479 K HA 0.124 4.443 4.320 -0.001 0.000 0.262 479 K C 1.096 177.710 176.600 0.024 0.000 0.992 479 K CA 0.381 56.680 56.287 0.020 0.000 0.927 479 K CB 0.345 32.844 32.500 -0.002 0.000 0.956 479 K HN 0.748 nan 8.250 nan 0.000 0.495 480 T N 1.432 116.029 114.554 0.072 0.000 2.653 480 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 480 T C 1.672 176.411 174.700 0.066 0.000 1.035 480 T CA 1.886 64.031 62.100 0.075 0.000 1.154 480 T CB -0.424 68.495 68.868 0.085 0.000 0.862 480 T HN 0.690 nan 8.240 nan 0.000 0.441 481 H N 0.548 119.613 119.070 -0.009 0.000 2.495 481 H HA 0.097 4.653 4.556 -0.001 0.000 0.287 481 H C 2.044 177.349 175.328 -0.040 0.000 1.033 481 H CA 0.891 56.926 56.048 -0.022 0.000 1.307 481 H CB -0.813 28.928 29.762 -0.036 0.000 1.401 481 H HN 0.283 nan 8.280 nan 0.000 0.555 482 V N 1.243 120.822 119.914 -0.558 0.000 2.407 482 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 482 V C 3.056 178.981 176.094 -0.282 0.000 1.041 482 V CA 1.126 63.131 62.300 -0.493 0.000 1.040 482 V CB -0.503 31.069 31.823 -0.418 0.000 0.671 482 V HN 0.234 nan 8.190 nan 0.000 0.455 483 V N 0.089 119.966 119.914 -0.061 0.000 2.324 483 V HA -0.261 3.858 4.120 -0.001 0.000 0.250 483 V C 2.465 178.547 176.094 -0.021 0.000 1.060 483 V CA 2.076 64.391 62.300 0.025 0.000 1.042 483 V CB -0.642 31.157 31.823 -0.041 0.000 0.650 483 V HN 0.418 nan 8.190 nan 0.000 0.450 484 V N 0.353 120.263 119.914 -0.007 0.000 2.343 484 V HA -0.299 3.821 4.120 -0.001 0.000 0.247 484 V C 2.305 178.422 176.094 0.038 0.000 1.051 484 V CA 2.422 64.749 62.300 0.044 0.000 1.036 484 V CB -0.690 31.167 31.823 0.057 0.000 0.654 484 V HN 0.642 nan 8.190 nan 0.000 0.451 485 D N -1.040 119.340 120.400 -0.034 0.000 2.097 485 D HA -0.202 4.437 4.640 -0.001 0.000 0.195 485 D C 2.016 178.334 176.300 0.031 0.000 0.989 485 D CA 1.486 55.464 54.000 -0.037 0.000 0.827 485 D CB -0.165 40.557 40.800 -0.131 0.000 0.966 485 D HN 0.473 nan 8.370 nan 0.000 0.456 486 Y N 1.050 121.398 120.300 0.079 0.000 2.181 486 Y HA -0.076 4.474 4.550 -0.001 0.000 0.288 486 Y C 2.434 178.321 175.900 -0.020 0.000 1.146 486 Y CA 1.280 59.424 58.100 0.074 0.000 1.164 486 Y CB -0.789 37.784 38.460 0.188 0.000 0.982 486 Y HN 0.161 nan 8.280 nan 0.000 0.515 487 E N 0.036 120.344 120.200 0.179 0.000 2.077 487 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 487 E C 2.006 178.696 176.600 0.150 0.000 0.989 487 E CA 1.393 57.916 56.400 0.206 0.000 0.800 487 E CB -0.043 29.861 29.700 0.340 0.000 0.746 487 E HN 0.577 nan 8.360 nan 0.000 0.452 488 Q N -0.073 119.800 119.800 0.121 0.000 2.084 488 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 488 Q C 2.338 178.385 176.000 0.078 0.000 0.978 488 Q CA 1.271 57.130 55.803 0.092 0.000 0.844 488 Q CB -0.086 28.697 28.738 0.074 0.000 0.898 488 Q HN 0.207 nan 8.270 nan 0.000 0.426 489 R N 0.186 120.737 120.500 0.085 0.000 2.083 489 R HA -0.094 4.245 4.340 -0.001 0.000 0.237 489 R C 2.288 178.616 176.300 0.047 0.000 1.137 489 R CA 1.554 57.697 56.100 0.073 0.000 0.951 489 R CB -0.207 30.159 30.300 0.111 0.000 0.851 489 R HN 0.290 nan 8.270 nan 0.000 0.434 490 M N 0.310 119.929 119.600 0.031 0.000 2.229 490 M HA -0.193 4.286 4.480 -0.001 0.000 0.264 490 M C 2.193 178.502 176.300 0.015 0.000 1.063 490 M CA 1.619 56.910 55.300 -0.015 0.000 1.114 490 M CB -0.197 32.338 32.600 -0.108 0.000 1.387 490 M HN 0.222 nan 8.290 nan 0.000 0.420 491 Q N 0.018 119.855 119.800 0.061 0.000 2.084 491 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 491 Q C 1.980 178.001 176.000 0.035 0.000 0.978 491 Q CA 1.066 56.915 55.803 0.076 0.000 0.844 491 Q CB -0.041 28.756 28.738 0.099 0.000 0.898 491 Q HN 0.417 nan 8.270 nan 0.000 0.426 492 E N 0.514 120.731 120.200 0.027 0.000 2.077 492 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 492 E C 1.940 178.534 176.600 -0.009 0.000 0.989 492 E CA 1.167 57.573 56.400 0.009 0.000 0.800 492 E CB -0.268 29.441 29.700 0.014 0.000 0.746 492 E HN 0.355 nan 8.360 nan 0.000 0.452 493 A N 1.158 123.972 122.820 -0.011 0.000 1.902 493 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 493 A C 2.409 179.968 177.584 -0.041 0.000 1.181 493 A CA 1.091 53.111 52.037 -0.028 0.000 0.623 493 A CB -0.711 18.272 19.000 -0.028 0.000 0.818 493 A HN 0.182 nan 8.150 nan 0.000 0.443 494 L N -0.756 120.443 121.223 -0.040 0.000 2.046 494 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 494 L C 2.597 179.405 176.870 -0.102 0.000 1.077 494 L CA 1.723 56.518 54.840 -0.076 0.000 0.747 494 L CB -0.389 41.642 42.059 -0.047 0.000 0.896 494 L HN 0.357 nan 8.230 nan 0.000 0.432 495 K N -0.133 120.230 120.400 -0.061 0.000 2.097 495 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 495 K C 2.232 178.793 176.600 -0.064 0.000 1.049 495 K CA 1.283 57.532 56.287 -0.062 0.000 0.933 495 K CB -0.248 32.230 32.500 -0.037 0.000 0.717 495 K HN 0.287 nan 8.250 nan 0.000 0.442 496 A N 1.087 123.872 122.820 -0.057 0.000 1.902 496 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 496 A C 2.419 179.961 177.584 -0.070 0.000 1.181 496 A CA 1.508 53.509 52.037 -0.060 0.000 0.623 496 A CB -0.986 17.981 19.000 -0.056 0.000 0.818 496 A HN 0.408 nan 8.150 nan 0.000 0.443 497 C N -1.040 118.216 119.300 -0.074 0.000 2.429 497 C HA -0.117 4.343 4.460 -0.001 0.000 0.277 497 C C 2.862 177.810 174.990 -0.070 0.000 1.262 497 C CA 1.239 60.216 59.018 -0.068 0.000 1.733 497 C CB -1.281 26.427 27.740 -0.053 0.000 2.010 497 C HN 0.794 nan 8.230 nan 0.000 0.483 498 Q N 0.323 120.054 119.800 -0.115 0.000 2.061 498 Q HA -0.293 4.046 4.340 -0.001 0.000 0.204 498 Q C 2.170 178.176 176.000 0.010 0.000 0.984 498 Q CA 2.172 57.926 55.803 -0.082 0.000 0.846 498 Q CB -0.287 28.376 28.738 -0.125 0.000 0.902 498 Q HN 0.587 nan 8.270 nan 0.000 0.421 499 M N -0.103 119.485 119.600 -0.019 0.000 2.065 499 M HA -0.153 4.326 4.480 -0.001 0.000 0.259 499 M C 1.887 178.185 176.300 -0.004 0.000 1.069 499 M CA 1.652 56.952 55.300 -0.001 0.000 1.110 499 M CB -0.535 32.048 32.600 -0.028 0.000 1.328 499 M HN 0.147 nan 8.290 nan 0.000 0.405 500 V N 0.243 120.120 119.914 -0.063 0.000 2.295 500 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 500 V C 2.450 178.507 176.094 -0.061 0.000 1.049 500 V CA 2.288 64.504 62.300 -0.139 0.000 1.024 500 V CB -0.729 30.990 31.823 -0.174 0.000 0.648 500 V HN 0.570 nan 8.190 nan 0.000 0.447 501 M N 0.240 119.860 119.600 0.033 0.000 2.065 501 M HA -0.281 4.199 4.480 -0.001 0.000 0.259 501 M C 2.407 178.775 176.300 0.113 0.000 1.069 501 M CA 2.550 57.923 55.300 0.122 0.000 1.110 501 M CB -0.512 32.271 32.600 0.304 0.000 1.328 501 M HN 0.558 nan 8.290 nan 0.000 0.405 502 Q N -0.192 119.746 119.800 0.228 0.000 2.123 502 Q HA -0.140 4.200 4.340 -0.001 0.000 0.199 502 Q C 1.818 178.003 176.000 0.309 0.000 0.966 502 Q CA 1.185 57.148 55.803 0.266 0.000 0.845 502 Q CB -0.666 28.325 28.738 0.422 0.000 0.907 502 Q HN 0.419 nan 8.270 nan 0.000 0.439 503 Q N 0.628 120.594 119.800 0.278 0.000 2.096 503 Q HA -0.099 4.240 4.340 -0.001 0.000 0.204 503 Q C 2.292 178.545 176.000 0.422 0.000 0.982 503 Q CA 1.815 57.851 55.803 0.387 0.000 0.850 503 Q CB -0.291 28.583 28.738 0.227 0.000 0.901 503 Q HN 0.519 nan 8.270 nan 0.000 0.422 504 S N 0.328 116.170 115.700 0.237 0.000 2.368 504 S HA -0.082 4.387 4.470 -0.001 0.000 0.224 504 S C 2.232 176.889 174.600 0.095 0.000 1.029 504 S CA 1.000 59.385 58.200 0.309 0.000 0.988 504 S CB -0.202 63.118 63.200 0.200 0.000 0.838 504 S HN 0.132 nan 8.310 nan 0.000 0.462 505 V N 0.925 120.777 119.914 -0.103 0.000 2.287 505 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 505 V C 2.024 178.117 176.094 -0.002 0.000 1.053 505 V CA 1.959 64.079 62.300 -0.300 0.000 1.027 505 V CB -0.808 30.443 31.823 -0.953 0.000 0.646 505 V HN 0.556 nan 8.190 nan 0.000 0.447 506 Y N 1.289 121.659 120.300 0.116 0.000 2.165 506 Y HA -0.262 4.288 4.550 -0.001 0.000 0.286 506 Y C 2.740 178.712 175.900 0.120 0.000 1.155 506 Y CA 2.242 60.484 58.100 0.236 0.000 1.164 506 Y CB -0.373 38.126 38.460 0.065 0.000 0.978 506 Y HN 0.093 nan 8.280 nan 0.000 0.513 507 R N -0.165 120.244 120.500 -0.151 0.000 2.092 507 R HA -0.096 4.244 4.340 -0.001 0.000 0.231 507 R C 2.183 178.165 176.300 -0.530 0.000 1.119 507 R CA 1.553 57.202 56.100 -0.751 0.000 0.970 507 R CB -0.362 29.503 30.300 -0.726 0.000 0.864 507 R HN 0.455 nan 8.270 nan 0.000 0.440 508 L N 0.205 121.264 121.223 -0.275 0.000 2.217 508 L HA -0.071 4.268 4.340 -0.001 0.000 0.211 508 L C 1.450 178.205 176.870 -0.192 0.000 1.107 508 L CA 0.832 55.481 54.840 -0.318 0.000 0.783 508 L CB 0.116 41.834 42.059 -0.568 0.000 0.919 508 L HN 0.237 nan 8.230 nan 0.000 0.442 509 L N -1.412 119.795 121.223 -0.027 0.000 3.014 509 L HA 0.215 4.554 4.340 -0.001 0.000 0.263 509 L C -0.146 176.806 176.870 0.137 0.000 1.207 509 L CA -0.125 54.791 54.840 0.126 0.000 1.017 509 L CB 0.538 42.816 42.059 0.365 0.000 1.360 509 L HN -0.002 nan 8.230 nan 0.000 0.560 510 T N 0.066 114.622 114.554 0.003 0.000 2.829 510 T HA 0.186 4.536 4.350 -0.001 0.000 0.280 510 T C -0.128 174.507 174.700 -0.108 0.000 0.999 510 T CA -0.566 61.523 62.100 -0.019 0.000 0.983 510 T CB 2.382 71.216 68.868 -0.058 0.000 0.968 510 T HN 0.005 nan 8.240 nan 0.000 0.446 511 K N 3.620 123.972 120.400 -0.080 0.000 2.491 511 K HA 0.001 4.321 4.320 -0.001 0.000 0.279 511 K C -1.760 174.812 176.600 -0.047 0.000 1.026 511 K CA -1.110 55.137 56.287 -0.067 0.000 1.070 511 K CB 0.432 32.899 32.500 -0.055 0.000 0.887 511 K HN 0.173 nan 8.250 nan 0.000 0.481 512 P HA -0.190 nan 4.420 nan 0.000 0.216 512 P C 0.779 178.091 177.300 0.019 0.000 1.150 512 P CA 1.419 64.495 63.100 -0.041 0.000 0.837 512 P CB 0.169 31.839 31.700 -0.050 0.000 0.786 513 S N -2.179 113.525 115.700 0.007 0.000 2.607 513 S HA 0.041 4.511 4.470 -0.001 0.000 0.224 513 S C 1.669 176.283 174.600 0.024 0.000 0.969 513 S CA 0.535 58.744 58.200 0.015 0.000 0.927 513 S CB -1.116 62.085 63.200 0.002 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.794 119.798 120.570 0.038 0.000 3.339 514 I HA 0.198 4.367 4.170 -0.001 0.000 0.285 514 I C 0.609 176.778 176.117 0.087 0.000 1.201 514 I CA -0.375 60.956 61.300 0.052 0.000 1.434 514 I CB -0.070 37.959 38.000 0.048 0.000 1.152 514 I HN 0.255 nan 8.210 nan 0.000 0.443 515 Y N 2.722 122.977 120.300 -0.076 0.000 2.865 515 Y HA -0.084 4.466 4.550 -0.001 0.000 0.338 515 Y C 0.511 176.388 175.900 -0.039 0.000 1.269 515 Y CA 0.105 58.120 58.100 -0.142 0.000 1.585 515 Y CB 0.381 38.686 38.460 -0.259 0.000 1.224 515 Y HN -0.114 nan 8.280 nan 0.000 0.554 516 S N 8.651 124.149 115.700 -0.338 0.000 2.317 516 S HA 0.347 4.817 4.470 -0.001 0.000 0.144 516 S C -2.875 171.537 174.600 -0.313 0.000 1.660 516 S CA -1.154 56.867 58.200 -0.298 0.000 1.273 516 S CB -0.091 63.048 63.200 -0.102 0.000 1.330 516 S HN 0.642 nan 8.310 nan 0.000 0.395 517 P HA 0.345 nan 4.420 nan 0.000 0.279 517 P C -1.157 175.888 177.300 -0.426 0.000 1.239 517 P CA -0.211 62.662 63.100 -0.377 0.000 0.789 517 P CB 0.898 32.294 31.700 -0.507 0.000 0.933 518 D N 2.098 122.423 120.400 -0.125 0.000 2.427 518 D HA 0.161 4.800 4.640 -0.001 0.000 0.226 518 D C 0.214 176.543 176.300 0.049 0.000 1.076 518 D CA -0.689 53.226 54.000 -0.141 0.000 0.849 518 D CB 0.146 40.880 40.800 -0.110 0.000 1.052 518 D HN 0.045 nan 8.370 nan 0.000 0.515 519 F N 1.670 121.725 119.950 0.176 0.000 2.699 519 F HA -0.042 4.484 4.527 -0.001 0.000 0.298 519 F C 2.469 178.340 175.800 0.118 0.000 1.154 519 F CA 0.532 58.639 58.000 0.178 0.000 1.457 519 F CB -0.408 38.678 39.000 0.143 0.000 1.106 519 F HN 0.384 nan 8.300 nan 0.000 0.585 520 S N -1.507 114.331 115.700 0.231 0.000 2.535 520 S HA 0.076 4.545 4.470 -0.001 0.000 0.214 520 S C 0.419 175.070 174.600 0.085 0.000 0.980 520 S CA -0.382 57.897 58.200 0.131 0.000 0.907 520 S CB -0.627 62.629 63.200 0.093 0.000 0.790 520 S HN 0.105 nan 8.310 nan 0.000 0.510 521 F N 2.660 122.539 119.950 -0.117 0.000 2.371 521 F HA 0.595 5.122 4.527 -0.001 0.000 0.329 521 F C 0.486 176.061 175.800 -0.374 0.000 1.107 521 F CA -0.865 56.935 58.000 -0.334 0.000 1.137 521 F CB 1.707 40.345 39.000 -0.604 0.000 1.214 521 F HN 0.044 nan 8.300 nan 0.000 0.536 522 S N 4.765 119.753 115.700 -1.188 0.000 2.955 522 S HA 0.179 4.648 4.470 -0.001 0.000 0.294 522 S C 0.528 174.493 174.600 -1.058 0.000 1.198 522 S CA -0.346 57.333 58.200 -0.868 0.000 1.008 522 S CB -0.585 62.179 63.200 -0.726 0.000 1.279 522 S HN 0.644 nan 8.310 nan 0.000 0.508 523 Y N 3.489 123.549 120.300 -0.401 0.000 2.314 523 Y HA 0.219 4.769 4.550 -0.001 0.000 0.293 523 Y C 0.335 175.679 175.900 -0.927 0.000 1.129 523 Y CA 0.696 58.436 58.100 -0.601 0.000 1.201 523 Y CB 0.146 38.313 38.460 -0.488 0.000 0.999 523 Y HN 0.567 nan 8.280 nan 0.000 0.541 524 F N -1.353 118.550 119.950 -0.078 0.000 2.599 524 F HA 0.465 4.992 4.527 -0.001 0.000 0.311 524 F C -0.007 175.812 175.800 0.032 0.000 1.076 524 F CA -1.547 56.469 58.000 0.027 0.000 0.937 524 F CB 1.561 40.718 39.000 0.262 0.000 1.282 524 F HN -0.397 nan 8.300 nan 0.000 0.460 525 T N 0.024 114.718 114.554 0.233 0.000 2.888 525 T HA 0.717 5.066 4.350 -0.001 0.000 0.284 525 T C -0.614 174.173 174.700 0.145 0.000 1.017 525 T CA -0.824 61.354 62.100 0.131 0.000 1.022 525 T CB 1.210 70.096 68.868 0.030 0.000 1.013 525 T HN 0.516 nan 8.240 nan 0.000 0.465 526 L N 1.946 123.166 121.223 -0.005 0.000 2.397 526 L HA 0.415 4.754 4.340 -0.001 0.000 0.271 526 L C 0.099 176.928 176.870 -0.069 0.000 1.148 526 L CA -0.330 54.413 54.840 -0.162 0.000 0.825 526 L CB 0.732 42.617 42.059 -0.291 0.000 1.117 526 L HN 0.817 nan 8.230 nan 0.000 0.456 527 D N 1.661 122.024 120.400 -0.061 0.000 2.425 527 D HA 0.209 4.849 4.640 -0.001 0.000 0.240 527 D C -1.233 175.003 176.300 -0.106 0.000 1.080 527 D CA -0.386 53.578 54.000 -0.060 0.000 0.836 527 D CB 1.095 41.898 40.800 0.006 0.000 1.125 527 D HN 0.287 nan 8.370 nan 0.000 0.525 528 D N 2.421 122.772 120.400 -0.081 0.000 2.549 528 D HA 0.190 4.830 4.640 -0.001 0.000 0.251 528 D C 0.042 176.290 176.300 -0.086 0.000 1.153 528 D CA -0.473 53.512 54.000 -0.025 0.000 0.861 528 D CB 1.913 42.791 40.800 0.130 0.000 1.207 528 D HN 0.254 nan 8.370 nan 0.000 0.543 529 S N 2.634 118.259 115.700 -0.126 0.000 2.522 529 S HA 0.049 4.518 4.470 -0.001 0.000 0.227 529 S C 1.366 175.927 174.600 -0.065 0.000 0.986 529 S CA 0.449 58.565 58.200 -0.142 0.000 0.929 529 S CB 0.415 63.523 63.200 -0.154 0.000 0.769 529 S HN 0.485 nan 8.310 nan 0.000 0.529 530 R N -0.649 119.845 120.500 -0.010 0.000 2.531 530 R HA 0.215 4.555 4.340 -0.001 0.000 0.316 530 R C -0.686 175.694 176.300 0.133 0.000 0.955 530 R CA -0.088 56.030 56.100 0.030 0.000 1.120 530 R CB 0.838 31.146 30.300 0.012 0.000 1.361 530 R HN 0.347 nan 8.270 nan 0.000 0.534 531 W N 1.438 122.700 121.300 -0.062 0.000 3.211 531 W HA 0.297 4.957 4.660 -0.001 0.000 0.335 531 W C -2.890 173.605 176.519 -0.039 0.000 1.113 531 W CA -1.921 55.389 57.345 -0.059 0.000 1.235 531 W CB 1.821 31.258 29.460 -0.039 0.000 1.365 531 W HN -0.198 nan 8.180 nan 0.000 0.476 532 P HA 0.109 nan 4.420 nan 0.000 0.226 532 P C 0.324 177.274 177.300 -0.582 0.000 1.153 532 P CA 1.607 63.857 63.100 -1.416 0.000 0.777 532 P CB 0.302 31.380 31.700 -1.036 0.000 0.794 533 G N -0.918 107.705 108.800 -0.295 0.000 2.617 533 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.686 533 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.686 533 G C -0.469 174.372 174.900 -0.097 0.000 1.214 533 G CA -0.467 44.549 45.100 -0.140 0.000 0.796 533 G HN 0.115 nan 8.290 nan 0.000 0.654 534 S N 0.280 115.964 115.700 -0.027 0.000 2.525 534 S HA 0.529 4.998 4.470 -0.001 0.000 0.285 534 S C 1.834 176.436 174.600 0.003 0.000 1.283 534 S CA 1.940 60.157 58.200 0.028 0.000 1.072 534 S CB 0.340 63.603 63.200 0.105 0.000 0.867 534 S HN 2.743 nan 8.310 nan 0.000 0.492 535 G N 2.832 111.629 108.800 -0.005 0.000 2.195 535 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.246 535 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.246 535 G C 0.601 175.467 174.900 -0.057 0.000 0.984 535 G CA 0.288 45.371 45.100 -0.028 0.000 0.633 535 G HN 0.915 nan 8.290 nan 0.000 0.525 536 V N -0.196 119.670 119.914 -0.080 0.000 2.627 536 V HA 0.424 4.544 4.120 -0.001 0.000 0.239 536 V C 0.859 176.888 176.094 -0.109 0.000 1.077 536 V CA 1.835 64.073 62.300 -0.103 0.000 1.103 536 V CB 0.890 32.621 31.823 -0.153 0.000 0.802 536 V HN 0.476 nan 8.190 nan 0.000 0.482 537 E N 0.335 120.460 120.200 -0.125 0.000 2.290 537 E HA 0.234 4.584 4.350 -0.001 0.000 0.274 537 E C -1.726 174.834 176.600 -0.067 0.000 0.889 537 E CA -0.572 55.766 56.400 -0.103 0.000 0.760 537 E CB 1.843 31.456 29.700 -0.146 0.000 1.206 537 E HN 0.217 nan 8.360 nan 0.000 0.419 538 D N 2.761 123.142 120.400 -0.031 0.000 2.453 538 D HA 0.095 4.735 4.640 -0.001 0.000 0.223 538 D C 0.154 176.452 176.300 -0.003 0.000 1.183 538 D CA -0.012 53.991 54.000 0.005 0.000 0.933 538 D CB 0.532 41.346 40.800 0.024 0.000 1.038 538 D HN 0.347 nan 8.370 nan 0.000 0.513 539 S N 2.738 118.426 115.700 -0.020 0.000 2.559 539 S HA 0.224 4.694 4.470 -0.001 0.000 0.226 539 S C 0.883 175.469 174.600 -0.024 0.000 1.030 539 S CA -0.513 57.668 58.200 -0.032 0.000 0.956 539 S CB 0.355 63.517 63.200 -0.064 0.000 0.900 539 S HN 0.248 nan 8.310 nan 0.000 0.510 540 R N 2.787 123.273 120.500 -0.024 0.000 2.490 540 R HA 0.402 4.742 4.340 -0.001 0.000 0.280 540 R C -0.002 176.321 176.300 0.037 0.000 1.077 540 R CA 0.250 56.315 56.100 -0.059 0.000 1.065 540 R CB 0.700 30.833 30.300 -0.277 0.000 1.003 540 R HN 0.458 nan 8.270 nan 0.000 0.470 541 T N -0.713 113.863 114.554 0.037 0.000 2.856 541 T HA 0.181 4.530 4.350 -0.001 0.000 0.292 541 T C 0.245 175.039 174.700 0.156 0.000 0.980 541 T CA -0.776 61.375 62.100 0.086 0.000 1.091 541 T CB 1.313 70.222 68.868 0.067 0.000 0.936 541 T HN 0.354 nan 8.240 nan 0.000 0.503 542 T N 4.338 118.998 114.554 0.176 0.000 2.832 542 T HA 0.329 4.678 4.350 -0.001 0.000 0.296 542 T C 0.610 175.412 174.700 0.170 0.000 0.968 542 T CA -0.472 61.754 62.100 0.211 0.000 1.107 542 T CB 0.099 69.057 68.868 0.151 0.000 0.916 542 T HN 0.587 nan 8.240 nan 0.000 0.517 543 I N 4.123 124.812 120.570 0.199 0.000 2.421 543 I HA 0.166 4.336 4.170 -0.001 0.000 0.291 543 I C 0.224 176.425 176.117 0.141 0.000 1.089 543 I CA 0.045 61.443 61.300 0.162 0.000 1.354 543 I CB 0.078 38.177 38.000 0.165 0.000 1.413 543 I HN 0.453 nan 8.210 nan 0.000 0.513 544 I N 8.068 128.706 120.570 0.114 0.000 2.297 544 I HA 0.323 4.493 4.170 -0.001 0.000 0.291 544 I C -0.164 176.013 176.117 0.099 0.000 1.033 544 I CA -0.194 61.165 61.300 0.098 0.000 1.253 544 I CB 0.486 38.531 38.000 0.076 0.000 1.396 544 I HN 0.390 nan 8.210 nan 0.000 0.476 545 L N 5.812 127.098 121.223 0.105 0.000 2.341 545 L HA 0.965 5.305 4.340 -0.001 0.000 0.267 545 L C 0.169 177.095 176.870 0.094 0.000 1.009 545 L CA -0.668 54.234 54.840 0.103 0.000 0.819 545 L CB 2.184 44.310 42.059 0.112 0.000 1.323 545 L HN 0.711 nan 8.230 nan 0.000 0.425 546 G N 0.103 108.956 108.800 0.087 0.000 2.411 546 G HA2 0.120 4.079 3.960 -0.001 0.000 0.295 546 G HA3 0.120 4.079 3.960 -0.001 0.000 0.295 546 G C -0.216 174.726 174.900 0.070 0.000 1.542 546 G CA -0.365 44.783 45.100 0.080 0.000 0.814 546 G HN 0.714 nan 8.290 nan 0.000 0.557 547 E N -0.403 119.836 120.200 0.065 0.000 2.204 547 E HA -0.112 4.237 4.350 -0.001 0.000 0.195 547 E C 0.588 177.216 176.600 0.047 0.000 0.990 547 E CA 1.447 57.880 56.400 0.054 0.000 0.821 547 E CB 0.127 29.855 29.700 0.048 0.000 0.750 547 E HN 0.376 nan 8.360 nan 0.000 0.477 548 D N -0.130 120.297 120.400 0.046 0.000 2.388 548 D HA 0.139 4.779 4.640 -0.001 0.000 0.221 548 D C 1.027 177.352 176.300 0.042 0.000 1.133 548 D CA 0.101 54.124 54.000 0.039 0.000 0.831 548 D CB 0.894 41.715 40.800 0.035 0.000 0.962 548 D HN 0.348 nan 8.370 nan 0.000 0.502 549 I N -0.953 119.647 120.570 0.049 0.000 4.147 549 I HA 0.126 4.296 4.170 -0.001 0.000 0.278 549 I C -1.385 174.769 176.117 0.061 0.000 1.133 549 I CA 0.049 61.380 61.300 0.051 0.000 1.317 549 I CB 1.253 39.284 38.000 0.051 0.000 1.688 549 I HN -0.175 nan 8.210 nan 0.000 0.432 550 L N 1.943 123.208 121.223 0.070 0.000 2.795 550 L HA 0.477 4.817 4.340 -0.001 0.000 0.260 550 L C -2.554 174.369 176.870 0.088 0.000 0.935 550 L CA -0.883 54.007 54.840 0.083 0.000 0.985 550 L CB 1.743 43.858 42.059 0.093 0.000 1.433 550 L HN -0.147 nan 8.230 nan 0.000 0.447 551 P HA 0.105 nan 4.420 nan 0.000 0.230 551 P C -0.255 177.101 177.300 0.094 0.000 1.168 551 P CA 0.711 63.861 63.100 0.084 0.000 0.793 551 P CB 0.436 32.179 31.700 0.072 0.000 0.851 552 S N -2.036 113.731 115.700 0.112 0.000 2.596 552 S HA 0.722 5.191 4.470 -0.001 0.000 0.270 552 S C -1.314 173.390 174.600 0.174 0.000 1.155 552 S CA -0.722 57.551 58.200 0.122 0.000 0.827 552 S CB 2.476 65.740 63.200 0.106 0.000 1.130 552 S HN -0.133 nan 8.310 nan 0.000 0.467 553 K N 0.598 121.107 120.400 0.182 0.000 2.513 553 K HA 0.577 4.896 4.320 -0.001 0.000 0.251 553 K C -1.992 174.777 176.600 0.281 0.000 0.939 553 K CA -0.252 56.189 56.287 0.257 0.000 0.793 553 K CB 0.961 33.572 32.500 0.186 0.000 1.241 553 K HN 0.842 nan 8.250 nan 0.000 0.431 554 H N 0.892 120.109 119.070 0.246 0.000 2.610 554 H HA 0.449 5.005 4.556 -0.001 0.000 0.336 554 H C -0.234 175.326 175.328 0.386 0.000 1.087 554 H CA -0.149 56.092 56.048 0.322 0.000 1.405 554 H CB 1.040 31.076 29.762 0.457 0.000 1.460 554 H HN 0.396 nan 8.280 nan 0.000 0.538 555 V N 1.011 121.179 119.914 0.424 0.000 2.914 555 V HA 0.782 4.902 4.120 -0.001 0.000 0.314 555 V C -0.754 175.669 176.094 0.550 0.000 1.084 555 V CA -0.862 61.687 62.300 0.416 0.000 0.963 555 V CB 2.101 33.924 31.823 0.001 0.000 1.025 555 V HN 0.461 nan 8.190 nan 0.000 0.432 556 V N 3.989 124.249 119.914 0.577 0.000 2.709 556 V HA 0.631 4.751 4.120 -0.001 0.000 0.308 556 V C -0.446 176.002 176.094 0.590 0.000 1.062 556 V CA -0.382 62.222 62.300 0.507 0.000 0.901 556 V CB 1.841 33.808 31.823 0.241 0.000 1.003 556 V HN 0.948 nan 8.190 nan 0.000 0.425 557 M N 4.107 124.026 119.600 0.532 0.000 2.336 557 M HA 0.491 4.970 4.480 -0.001 0.000 0.342 557 M C -0.482 176.097 176.300 0.464 0.000 1.128 557 M CA -0.241 55.348 55.300 0.482 0.000 1.016 557 M CB 1.161 33.987 32.600 0.376 0.000 1.665 557 M HN 0.751 nan 8.290 nan 0.000 0.445 558 H N 1.969 121.270 119.070 0.386 0.000 2.492 558 H HA 0.485 5.040 4.556 -0.001 0.000 0.345 558 H C -1.350 174.119 175.328 0.236 0.000 1.136 558 H CA -0.577 55.665 56.048 0.323 0.000 1.202 558 H CB 1.212 31.235 29.762 0.436 0.000 1.524 558 H HN 0.642 nan 8.280 nan 0.000 0.506 559 N N 2.992 121.465 118.700 -0.379 0.000 2.569 559 N HA 0.042 4.782 4.740 -0.001 0.000 0.254 559 N C 0.305 175.484 175.510 -0.551 0.000 1.004 559 N CA -0.298 52.539 53.050 -0.356 0.000 0.904 559 N CB 1.606 39.993 38.487 -0.167 0.000 1.165 559 N HN 0.642 nan 8.380 nan 0.000 0.513 560 T N 2.860 117.149 114.554 -0.442 0.000 3.055 560 T HA 0.179 4.529 4.350 -0.001 0.000 0.265 560 T C 0.702 175.368 174.700 -0.058 0.000 1.111 560 T CA 0.496 62.499 62.100 -0.161 0.000 1.118 560 T CB -0.207 68.709 68.868 0.079 0.000 0.909 560 T HN 0.414 nan 8.240 nan 0.000 0.501 561 L N 2.807 123.944 121.223 -0.144 0.000 2.417 561 L HA 0.310 4.650 4.340 -0.001 0.000 0.268 561 L C -1.626 175.108 176.870 -0.227 0.000 1.158 561 L CA -1.893 52.827 54.840 -0.201 0.000 0.819 561 L CB 0.649 42.453 42.059 -0.426 0.000 1.112 561 L HN -0.033 nan 8.230 nan 0.000 0.458 562 P HA 0.059 nan 4.420 nan 0.000 0.235 562 P C -0.979 176.341 177.300 0.034 0.000 1.725 562 P CA 0.291 63.383 63.100 -0.014 0.000 0.894 562 P CB -0.346 31.400 31.700 0.076 0.000 1.704 563 H N -3.111 115.980 119.070 0.035 0.000 3.012 563 H HA 0.242 4.797 4.556 -0.001 0.000 0.367 563 H C -0.997 174.363 175.328 0.052 0.000 1.211 563 H CA -1.077 55.013 56.048 0.070 0.000 1.139 563 H CB 0.003 29.835 29.762 0.117 0.000 1.838 563 H HN -0.131 nan 8.280 nan 0.000 0.550 564 W N 1.659 123.080 121.300 0.201 0.000 2.293 564 W HA 0.207 4.867 4.660 -0.001 0.000 0.342 564 W C 0.864 177.495 176.519 0.186 0.000 1.274 564 W CA 0.446 57.875 57.345 0.139 0.000 1.290 564 W CB 0.410 29.938 29.460 0.113 0.000 1.176 564 W HN 0.519 nan 8.180 nan 0.000 0.570 565 R N 2.019 122.730 120.500 0.352 0.000 2.621 565 R HA 0.316 4.655 4.340 -0.001 0.000 0.284 565 R C -1.077 175.366 176.300 0.238 0.000 0.998 565 R CA -0.661 55.599 56.100 0.266 0.000 0.895 565 R CB 1.428 31.811 30.300 0.138 0.000 1.195 565 R HN 0.485 nan 8.270 nan 0.000 0.450 566 E N 2.345 122.658 120.200 0.187 0.000 2.183 566 E HA 0.260 4.610 4.350 -0.001 0.000 0.271 566 E C -1.303 175.347 176.600 0.083 0.000 0.919 566 E CA -0.772 55.714 56.400 0.143 0.000 0.781 566 E CB 2.357 32.133 29.700 0.127 0.000 1.140 566 E HN 0.381 nan 8.360 nan 0.000 0.402 567 Q N 3.223 123.050 119.800 0.045 0.000 2.386 567 Q HA 0.245 4.585 4.340 -0.001 0.000 0.274 567 Q C -1.473 174.489 176.000 -0.064 0.000 1.011 567 Q CA -0.608 55.191 55.803 -0.006 0.000 0.867 567 Q CB 1.460 30.187 28.738 -0.020 0.000 1.409 567 Q HN 0.567 nan 8.270 nan 0.000 0.395 568 L N 3.184 124.364 121.223 -0.072 0.000 2.453 568 L HA 0.282 4.621 4.340 -0.001 0.000 0.272 568 L C 0.237 176.978 176.870 -0.214 0.000 1.182 568 L CA -0.218 54.541 54.840 -0.135 0.000 0.858 568 L CB 0.472 42.487 42.059 -0.073 0.000 1.120 568 L HN 0.467 nan 8.230 nan 0.000 0.474 569 V N -0.571 119.116 119.914 -0.379 0.000 2.823 569 V HA 0.760 4.880 4.120 -0.001 0.000 0.312 569 V C -1.002 174.831 176.094 -0.435 0.000 1.072 569 V CA -0.915 61.119 62.300 -0.442 0.000 0.937 569 V CB 2.085 33.601 31.823 -0.511 0.000 1.013 569 V HN 0.804 nan 8.190 nan 0.000 0.430 570 D N 1.476 121.622 120.400 -0.423 0.000 2.527 570 D HA 0.764 5.404 4.640 -0.001 0.000 0.233 570 D C -1.129 174.867 176.300 -0.506 0.000 1.063 570 D CA -0.502 53.347 54.000 -0.251 0.000 0.880 570 D CB 2.034 42.791 40.800 -0.071 0.000 1.457 570 D HN 0.436 nan 8.370 nan 0.000 0.475 571 F N -0.323 119.685 119.950 0.096 0.000 2.599 571 F HA 0.402 4.929 4.527 -0.001 0.000 0.311 571 F C -0.715 175.239 175.800 0.256 0.000 1.076 571 F CA -1.103 56.967 58.000 0.118 0.000 0.937 571 F CB 1.538 40.651 39.000 0.189 0.000 1.282 571 F HN 0.185 nan 8.300 nan 0.000 0.460 572 Y N 2.064 122.522 120.300 0.264 0.000 2.304 572 Y HA 0.572 5.122 4.550 -0.001 0.000 0.328 572 Y C 0.173 176.191 175.900 0.198 0.000 1.123 572 Y CA -1.505 56.698 58.100 0.173 0.000 1.218 572 Y CB 1.003 39.517 38.460 0.090 0.000 1.207 572 Y HN 0.346 nan 8.280 nan 0.000 0.495 573 V N -0.379 119.732 119.914 0.329 0.000 2.962 573 V HA 0.565 4.684 4.120 -0.001 0.000 0.313 573 V C 0.328 176.553 176.094 0.219 0.000 1.099 573 V CA -0.766 61.688 62.300 0.257 0.000 0.971 573 V CB 1.705 33.681 31.823 0.255 0.000 1.028 573 V HN 0.669 nan 8.190 nan 0.000 0.430 574 S N 0.300 116.111 115.700 0.185 0.000 2.593 574 S HA 0.267 4.737 4.470 -0.001 0.000 0.217 574 S C 0.653 175.397 174.600 0.239 0.000 0.966 574 S CA 0.474 58.771 58.200 0.161 0.000 0.914 574 S CB -0.229 63.037 63.200 0.110 0.000 0.776 574 S HN 1.436 nan 8.310 nan 0.000 0.523 575 S N 1.229 117.077 115.700 0.246 0.000 2.546 575 S HA 0.591 5.061 4.470 -0.001 0.000 0.274 575 S C -2.620 171.901 174.600 -0.131 0.000 1.121 575 S CA -1.396 56.840 58.200 0.061 0.000 0.887 575 S CB 1.939 65.171 63.200 0.055 0.000 1.094 575 S HN 0.017 nan 8.310 nan 0.000 0.474 576 P HA 0.198 nan 4.420 nan 0.000 0.240 576 P C -0.222 176.952 177.300 -0.210 0.000 1.190 576 P CA 0.331 63.079 63.100 -0.586 0.000 0.781 576 P CB -0.144 30.914 31.700 -1.070 0.000 0.931 577 F N 0.806 120.773 119.950 0.027 0.000 2.509 577 F HA 0.267 4.793 4.527 -0.001 0.000 0.344 577 F C 0.436 176.282 175.800 0.077 0.000 1.197 577 F CA -1.244 56.799 58.000 0.072 0.000 1.294 577 F CB -0.031 38.977 39.000 0.013 0.000 1.643 577 F HN -0.335 nan 8.300 nan 0.000 0.596 578 V N 1.067 121.121 119.914 0.233 0.000 2.656 578 V HA 0.684 4.804 4.120 -0.001 0.000 0.307 578 V C -0.298 175.866 176.094 0.116 0.000 1.051 578 V CA -0.813 61.579 62.300 0.154 0.000 0.893 578 V CB 2.233 34.140 31.823 0.140 0.000 0.999 578 V HN 0.503 nan 8.190 nan 0.000 0.426 579 S N 3.014 118.762 115.700 0.081 0.000 2.634 579 S HA 0.901 5.370 4.470 -0.001 0.000 0.296 579 S C -0.991 173.596 174.600 -0.021 0.000 1.104 579 S CA -0.844 57.384 58.200 0.046 0.000 0.920 579 S CB 2.127 65.371 63.200 0.073 0.000 1.111 579 S HN 0.439 nan 8.310 nan 0.000 0.493 580 V N 1.705 121.572 119.914 -0.078 0.000 2.628 580 V HA 0.829 4.949 4.120 -0.001 0.000 0.306 580 V C 0.024 176.038 176.094 -0.134 0.000 1.045 580 V CA -0.436 61.740 62.300 -0.207 0.000 0.905 580 V CB 1.605 33.118 31.823 -0.516 0.000 0.997 580 V HN 1.218 nan 8.190 nan 0.000 0.436 581 T N -0.586 113.905 114.554 -0.105 0.000 2.896 581 T HA 0.650 5.000 4.350 -0.001 0.000 0.297 581 T C -0.869 173.813 174.700 -0.030 0.000 1.108 581 T CA -0.899 61.163 62.100 -0.064 0.000 1.004 581 T CB 2.087 70.909 68.868 -0.076 0.000 1.159 581 T HN 0.720 nan 8.240 nan 0.000 0.499 582 D N 0.544 120.897 120.400 -0.079 0.000 2.478 582 D HA 0.234 4.874 4.640 -0.001 0.000 0.269 582 D C 0.593 176.753 176.300 -0.234 0.000 1.232 582 D CA -1.212 52.620 54.000 -0.279 0.000 1.059 582 D CB 0.368 41.005 40.800 -0.270 0.000 1.104 582 D HN 0.377 nan 8.370 nan 0.000 0.566 583 L N -0.593 120.474 121.223 -0.261 0.000 2.672 583 L HA 0.360 4.699 4.340 -0.001 0.000 0.236 583 L C 1.263 178.056 176.870 -0.129 0.000 1.186 583 L CA 0.286 55.019 54.840 -0.180 0.000 0.977 583 L CB -0.757 41.202 42.059 -0.166 0.000 1.203 583 L HN 0.613 nan 8.230 nan 0.000 0.448 584 A N -0.852 121.899 122.820 -0.116 0.000 2.423 584 A HA 0.199 4.519 4.320 -0.001 0.000 0.246 584 A C 1.151 178.691 177.584 -0.073 0.000 1.278 584 A CA 0.196 52.183 52.037 -0.082 0.000 0.903 584 A CB -0.438 18.521 19.000 -0.069 0.000 0.997 584 A HN 0.472 nan 8.150 nan 0.000 0.510 585 N N 0.203 118.853 118.700 -0.084 0.000 2.741 585 N HA -0.142 4.598 4.740 -0.001 0.000 0.251 585 N C -1.018 174.453 175.510 -0.065 0.000 1.112 585 N CA 0.850 53.858 53.050 -0.069 0.000 0.750 585 N CB -1.739 36.717 38.487 -0.052 0.000 1.119 585 N HN 0.559 nan 8.380 nan 0.000 0.561 586 N N 1.003 119.661 118.700 -0.071 0.000 2.488 586 N HA 0.263 5.002 4.740 -0.001 0.000 0.274 586 N C -2.497 172.955 175.510 -0.097 0.000 1.111 586 N CA -0.864 52.141 53.050 -0.075 0.000 0.974 586 N CB 0.656 39.107 38.487 -0.060 0.000 1.089 586 N HN 0.226 nan 8.380 nan 0.000 0.465 587 P HA 0.075 nan 4.420 nan 0.000 0.269 587 P C -0.467 176.712 177.300 -0.203 0.000 1.209 587 P CA -0.110 62.839 63.100 -0.252 0.000 0.776 587 P CB 0.723 32.033 31.700 -0.649 0.000 0.876 588 V N 3.225 123.063 119.914 -0.127 0.000 2.448 588 V HA 0.192 4.312 4.120 -0.001 0.000 0.295 588 V C 0.309 176.397 176.094 -0.009 0.000 1.025 588 V CA -0.794 61.483 62.300 -0.038 0.000 0.859 588 V CB 1.488 33.309 31.823 -0.002 0.000 0.988 588 V HN 0.440 nan 8.190 nan 0.000 0.431 589 E N 3.108 123.337 120.200 0.048 0.000 2.414 589 E HA 0.526 4.875 4.350 -0.001 0.000 0.263 589 E C 0.070 176.741 176.600 0.119 0.000 1.000 589 E CA 0.172 56.632 56.400 0.101 0.000 0.914 589 E CB 1.542 31.306 29.700 0.107 0.000 0.948 589 E HN 0.833 nan 8.360 nan 0.000 0.444 590 A N 2.857 125.738 122.820 0.100 0.000 2.515 590 A HA 0.516 4.835 4.320 -0.001 0.000 0.296 590 A C -0.905 176.701 177.584 0.037 0.000 1.094 590 A CA -0.685 51.422 52.037 0.116 0.000 0.718 590 A CB 1.850 20.916 19.000 0.110 0.000 1.307 590 A HN 0.531 nan 8.150 nan 0.000 0.408 591 Q N 0.925 120.754 119.800 0.049 0.000 2.337 591 Q HA 0.647 4.986 4.340 -0.001 0.000 0.270 591 Q C -1.944 174.060 176.000 0.006 0.000 1.043 591 Q CA -0.534 55.260 55.803 -0.015 0.000 0.794 591 Q CB 2.071 30.836 28.738 0.044 0.000 1.281 591 Q HN 0.573 nan 8.270 nan 0.000 0.446 592 V N 2.579 122.433 119.914 -0.101 0.000 2.483 592 V HA 0.594 4.713 4.120 -0.001 0.000 0.295 592 V C -0.513 175.761 176.094 0.301 0.000 1.035 592 V CA -0.330 62.023 62.300 0.089 0.000 0.896 592 V CB 1.906 33.756 31.823 0.046 0.000 0.986 592 V HN 0.858 nan 8.190 nan 0.000 0.447 593 S N 4.631 120.538 115.700 0.345 0.000 2.632 593 S HA 0.680 5.150 4.470 -0.001 0.000 0.289 593 S C -2.796 171.861 174.600 0.095 0.000 1.115 593 S CA -1.161 57.216 58.200 0.295 0.000 0.889 593 S CB 2.413 65.738 63.200 0.207 0.000 1.116 593 S HN 0.535 nan 8.310 nan 0.000 0.486 594 P HA 0.243 nan 4.420 nan 0.000 0.273 594 P C -1.158 175.819 177.300 -0.538 0.000 1.250 594 P CA -0.504 62.203 63.100 -0.655 0.000 0.793 594 P CB 0.373 31.272 31.700 -1.335 0.000 1.011 595 V N 1.731 121.259 119.914 -0.643 0.000 2.334 595 V HA 0.190 4.309 4.120 -0.001 0.000 0.267 595 V C -0.529 175.271 176.094 -0.489 0.000 1.040 595 V CA -0.198 61.803 62.300 -0.498 0.000 0.866 595 V CB -0.543 30.895 31.823 -0.642 0.000 1.019 595 V HN 0.521 nan 8.190 nan 0.000 0.468 596 W N 3.455 124.676 121.300 -0.132 0.000 2.469 596 W HA 0.635 5.295 4.660 -0.001 0.000 0.320 596 W C 0.441 176.904 176.519 -0.093 0.000 1.086 596 W CA -0.400 56.856 57.345 -0.148 0.000 1.211 596 W CB 1.866 31.242 29.460 -0.139 0.000 1.298 596 W HN 0.573 nan 8.180 nan 0.000 0.525 597 S N 1.539 117.319 115.700 0.133 0.000 2.536 597 S HA 0.601 5.071 4.470 -0.001 0.000 0.287 597 S C -1.476 173.050 174.600 -0.124 0.000 1.101 597 S CA -0.964 57.271 58.200 0.058 0.000 0.950 597 S CB 1.141 64.365 63.200 0.040 0.000 1.056 597 S HN 0.426 nan 8.310 nan 0.000 0.481 598 W N 1.766 122.924 121.300 -0.237 0.000 2.469 598 W HA 0.522 5.181 4.660 -0.001 0.000 0.320 598 W C 0.360 176.570 176.519 -0.516 0.000 1.086 598 W CA -0.229 56.979 57.345 -0.227 0.000 1.211 598 W CB 1.004 30.390 29.460 -0.124 0.000 1.298 598 W HN 0.622 nan 8.180 nan 0.000 0.525 599 H N 1.887 121.004 119.070 0.077 0.000 2.589 599 H HA 0.085 4.640 4.556 -0.001 0.000 0.351 599 H C -0.892 174.522 175.328 0.144 0.000 1.074 599 H CA -0.932 55.134 56.048 0.030 0.000 1.203 599 H CB 1.763 31.447 29.762 -0.130 0.000 1.558 599 H HN 0.353 nan 8.280 nan 0.000 0.522 600 H N 2.939 122.098 119.070 0.150 0.000 3.067 600 H HA 0.005 4.561 4.556 -0.001 0.000 0.265 600 H C -0.426 174.995 175.328 0.154 0.000 1.234 600 H CA -0.389 55.745 56.048 0.144 0.000 1.452 600 H CB -0.161 29.653 29.762 0.087 0.000 1.527 600 H HN 0.456 nan 8.280 nan 0.000 0.486 601 D N 3.723 124.202 120.400 0.132 0.000 2.348 601 D HA -0.051 4.589 4.640 -0.001 0.000 0.259 601 D C 0.949 177.122 176.300 -0.212 0.000 1.296 601 D CA 0.295 54.309 54.000 0.024 0.000 0.931 601 D CB 0.652 41.607 40.800 0.258 0.000 1.067 601 D HN 0.765 nan 8.370 nan 0.000 0.503 602 T N 1.417 115.768 114.554 -0.337 0.000 3.035 602 T HA -0.080 4.270 4.350 -0.001 0.000 0.268 602 T C 1.898 176.535 174.700 -0.104 0.000 1.109 602 T CA 0.041 61.961 62.100 -0.301 0.000 1.119 602 T CB 0.222 68.954 68.868 -0.227 0.000 0.900 602 T HN 0.273 nan 8.240 nan 0.000 0.503 603 L N 2.256 123.442 121.223 -0.061 0.000 2.095 603 L HA 0.072 4.411 4.340 -0.001 0.000 0.204 603 L C 2.885 179.747 176.870 -0.014 0.000 1.080 603 L CA 2.142 56.966 54.840 -0.027 0.000 0.759 603 L CB -1.544 40.503 42.059 -0.019 0.000 0.914 603 L HN 0.591 nan 8.230 nan 0.000 0.439 604 T N -4.865 109.685 114.554 -0.007 0.000 3.044 604 T HA 0.043 4.392 4.350 -0.001 0.000 0.250 604 T C 0.796 175.515 174.700 0.032 0.000 1.081 604 T CA -0.254 61.844 62.100 -0.003 0.000 1.040 604 T CB 0.260 69.105 68.868 -0.037 0.000 0.962 604 T HN 0.065 nan 8.240 nan 0.000 0.506 605 K N 2.135 122.572 120.400 0.062 0.000 3.117 605 K HA -0.126 4.194 4.320 -0.001 0.000 0.269 605 K C 0.094 176.803 176.600 0.181 0.000 1.098 605 K CA 1.245 57.625 56.287 0.154 0.000 0.785 605 K CB -2.897 29.672 32.500 0.115 0.000 1.242 605 K HN 0.863 nan 8.250 nan 0.000 0.491 606 T N -2.679 111.995 114.554 0.201 0.000 2.916 606 T HA 0.821 5.170 4.350 -0.001 0.000 0.292 606 T C 0.316 175.243 174.700 0.379 0.000 1.064 606 T CA -1.064 61.166 62.100 0.216 0.000 1.011 606 T CB 2.294 71.224 68.868 0.104 0.000 1.152 606 T HN 0.147 nan 8.240 nan 0.000 0.510 607 I N 2.624 123.408 120.570 0.356 0.000 2.362 607 I HA 0.552 4.721 4.170 -0.001 0.000 0.289 607 I C -0.289 176.168 176.117 0.566 0.000 0.994 607 I CA -0.750 60.809 61.300 0.431 0.000 1.158 607 I CB 0.947 39.113 38.000 0.275 0.000 1.315 607 I HN 0.975 nan 8.210 nan 0.000 0.451 608 H N 5.693 124.960 119.070 0.327 0.000 3.037 608 H HA 0.640 5.196 4.556 -0.001 0.000 0.355 608 H C -3.194 171.970 175.328 -0.274 0.000 1.263 608 H CA -2.139 53.935 56.048 0.045 0.000 1.129 608 H CB 2.003 31.781 29.762 0.026 0.000 1.861 608 H HN 0.164 nan 8.280 nan 0.000 0.546 609 P HA 0.223 nan 4.420 nan 0.000 0.290 609 P C -1.043 176.112 177.300 -0.243 0.000 1.275 609 P CA -0.646 61.911 63.100 -0.905 0.000 0.841 609 P CB 2.033 32.849 31.700 -1.474 0.000 1.042 610 Q N 0.552 120.351 119.800 -0.002 0.000 2.365 610 Q HA 0.599 4.939 4.340 -0.001 0.000 0.269 610 Q C -0.016 176.059 176.000 0.125 0.000 1.061 610 Q CA -0.548 55.305 55.803 0.084 0.000 0.816 610 Q CB 2.856 31.532 28.738 -0.103 0.000 1.325 610 Q HN 0.625 nan 8.270 nan 0.000 0.446 611 G N 0.435 109.185 108.800 -0.083 0.000 2.400 611 G HA2 0.380 4.340 3.960 -0.001 0.000 0.333 611 G HA3 0.380 4.340 3.960 -0.001 0.000 0.333 611 G C -0.450 174.200 174.900 -0.417 0.000 1.143 611 G CA -0.313 44.436 45.100 -0.586 0.000 0.914 611 G HN 0.419 nan 8.290 nan 0.000 0.480 612 S N -0.733 114.668 115.700 -0.500 0.000 2.576 612 S HA 0.340 4.810 4.470 -0.001 0.000 0.276 612 S C 1.515 175.865 174.600 -0.416 0.000 1.339 612 S CA 0.278 58.223 58.200 -0.424 0.000 1.039 612 S CB 0.761 63.653 63.200 -0.513 0.000 0.902 612 S HN 0.924 nan 8.310 nan 0.000 0.516 613 T N -0.326 114.056 114.554 -0.287 0.000 3.092 613 T HA 0.200 4.550 4.350 -0.001 0.000 0.258 613 T C 0.928 175.532 174.700 -0.160 0.000 1.031 613 T CA 0.390 62.390 62.100 -0.167 0.000 0.925 613 T CB -0.202 68.615 68.868 -0.085 0.000 1.036 613 T HN 0.709 nan 8.240 nan 0.000 0.544 614 T N -1.587 112.769 114.554 -0.329 0.000 3.131 614 T HA 0.311 4.660 4.350 -0.001 0.000 0.283 614 T C 0.064 174.532 174.700 -0.386 0.000 0.906 614 T CA -0.602 61.361 62.100 -0.230 0.000 0.882 614 T CB 0.115 68.905 68.868 -0.129 0.000 1.208 614 T HN 0.633 nan 8.240 nan 0.000 0.561 615 K N 0.128 120.071 120.400 -0.762 0.000 2.477 615 K HA 0.714 5.033 4.320 -0.001 0.000 0.255 615 K C -2.011 173.891 176.600 -1.164 0.000 0.952 615 K CA -1.032 54.843 56.287 -0.688 0.000 0.826 615 K CB 1.886 34.154 32.500 -0.385 0.000 1.331 615 K HN 0.134 nan 8.250 nan 0.000 0.437 616 Y N -0.286 119.929 120.300 -0.141 0.000 2.581 616 Y HA 0.470 5.019 4.550 -0.001 0.000 0.345 616 Y C -0.407 175.502 175.900 0.014 0.000 1.036 616 Y CA -1.181 56.867 58.100 -0.086 0.000 1.042 616 Y CB 2.394 40.875 38.460 0.035 0.000 1.289 616 Y HN 0.357 nan 8.280 nan 0.000 0.471 617 R N 1.710 122.339 120.500 0.216 0.000 2.338 617 R HA 0.581 4.921 4.340 -0.001 0.000 0.317 617 R C -1.327 175.143 176.300 0.284 0.000 0.968 617 R CA -0.678 55.593 56.100 0.286 0.000 0.849 617 R CB 1.617 32.065 30.300 0.246 0.000 1.128 617 R HN 0.665 nan 8.270 nan 0.000 0.448 618 I N 4.588 125.347 120.570 0.314 0.000 2.377 618 I HA 0.418 4.588 4.170 -0.001 0.000 0.293 618 I C -1.084 175.218 176.117 0.309 0.000 0.987 618 I CA -0.765 60.713 61.300 0.297 0.000 1.185 618 I CB 1.058 39.247 38.000 0.315 0.000 1.341 618 I HN 0.532 nan 8.210 nan 0.000 0.455 619 I N 8.134 128.852 120.570 0.248 0.000 2.545 619 I HA 0.535 4.704 4.170 -0.001 0.000 0.292 619 I C -0.946 175.316 176.117 0.243 0.000 1.040 619 I CA -0.501 60.894 61.300 0.158 0.000 1.068 619 I CB 1.724 39.779 38.000 0.093 0.000 1.251 619 I HN 0.498 nan 8.210 nan 0.000 0.424 620 F N 2.442 122.420 119.950 0.046 0.000 2.713 620 F HA 0.584 5.111 4.527 -0.001 0.000 0.311 620 F C -1.105 174.681 175.800 -0.023 0.000 1.141 620 F CA -1.281 56.725 58.000 0.009 0.000 0.939 620 F CB 1.350 40.345 39.000 -0.009 0.000 1.325 620 F HN 0.238 nan 8.300 nan 0.000 0.453 621 K N 2.041 122.530 120.400 0.148 0.000 2.285 621 K HA 0.737 5.057 4.320 -0.001 0.000 0.286 621 K C -0.678 175.969 176.600 0.078 0.000 1.072 621 K CA -0.390 55.923 56.287 0.044 0.000 0.913 621 K CB 0.940 33.497 32.500 0.094 0.000 1.067 621 K HN 0.934 nan 8.250 nan 0.000 0.479 622 A N 4.706 127.482 122.820 -0.075 0.000 2.309 622 A HA 0.366 4.685 4.320 -0.001 0.000 0.298 622 A C -0.597 177.117 177.584 0.218 0.000 1.165 622 A CA -0.653 51.398 52.037 0.022 0.000 0.821 622 A CB 0.598 19.574 19.000 -0.040 0.000 1.102 622 A HN 0.879 nan 8.150 nan 0.000 0.500 623 R N 2.359 123.101 120.500 0.404 0.000 2.360 623 R HA 0.592 4.931 4.340 -0.001 0.000 0.318 623 R C -1.813 174.759 176.300 0.453 0.000 0.950 623 R CA -0.218 56.115 56.100 0.388 0.000 0.837 623 R CB 1.129 31.634 30.300 0.343 0.000 1.165 623 R HN 0.490 nan 8.270 nan 0.000 0.458 624 V N 6.366 126.508 119.914 0.379 0.000 2.588 624 V HA 0.447 4.566 4.120 -0.001 0.000 0.304 624 V C -2.248 173.775 176.094 -0.118 0.000 1.042 624 V CA -2.340 60.076 62.300 0.193 0.000 0.877 624 V CB 1.873 33.781 31.823 0.142 0.000 0.996 624 V HN 0.785 nan 8.190 nan 0.000 0.425 625 P HA 0.219 nan 4.420 nan 0.000 0.271 625 P C -2.739 174.099 177.300 -0.771 0.000 1.233 625 P CA -1.372 60.886 63.100 -1.404 0.000 0.789 625 P CB -0.265 30.782 31.700 -1.087 0.000 0.951 626 P HA 0.075 nan 4.420 nan 0.000 0.264 626 P C 0.120 177.385 177.300 -0.058 0.000 1.193 626 P CA 0.625 63.541 63.100 -0.306 0.000 0.763 626 P CB -0.243 31.334 31.700 -0.204 0.000 0.810 627 M N 0.261 119.868 119.600 0.012 0.000 2.253 627 M HA -0.213 4.266 4.480 -0.001 0.000 0.199 627 M C 0.558 177.069 176.300 0.353 0.000 0.342 627 M CA 1.029 56.478 55.300 0.249 0.000 0.417 627 M CB -2.053 30.772 32.600 0.374 0.000 1.338 627 M HN 0.597 nan 8.290 nan 0.000 0.920 628 G N -0.225 108.641 108.800 0.110 0.000 3.022 628 G HA2 0.930 4.889 3.960 -0.001 0.000 0.284 628 G HA3 0.930 4.889 3.960 -0.001 0.000 0.284 628 G C -1.386 173.648 174.900 0.224 0.000 1.375 628 G CA -0.977 44.154 45.100 0.052 0.000 0.902 628 G HN 0.172 nan 8.290 nan 0.000 0.538 629 L N -0.492 120.848 121.223 0.194 0.000 2.388 629 L HA 0.809 5.149 4.340 -0.001 0.000 0.264 629 L C -0.227 176.747 176.870 0.173 0.000 0.998 629 L CA -1.029 53.958 54.840 0.245 0.000 0.817 629 L CB 2.483 44.693 42.059 0.252 0.000 1.338 629 L HN 0.774 nan 8.230 nan 0.000 0.414 630 A N 0.784 123.746 122.820 0.236 0.000 2.427 630 A HA 0.807 5.126 4.320 -0.001 0.000 0.298 630 A C -0.797 176.948 177.584 0.268 0.000 1.036 630 A CA -0.450 51.715 52.037 0.213 0.000 0.701 630 A CB 1.732 20.911 19.000 0.297 0.000 1.250 630 A HN 0.556 nan 8.150 nan 0.000 0.412 631 T N 2.119 116.726 114.554 0.089 0.000 2.829 631 T HA 0.651 5.000 4.350 -0.001 0.000 0.282 631 T C -1.074 173.548 174.700 -0.129 0.000 0.990 631 T CA 0.233 62.423 62.100 0.150 0.000 1.028 631 T CB 0.354 69.305 68.868 0.137 0.000 0.951 631 T HN 0.437 nan 8.240 nan 0.000 0.460 632 Y N 0.345 120.727 120.300 0.137 0.000 2.605 632 Y HA 0.661 5.211 4.550 -0.001 0.000 0.343 632 Y C -0.351 175.473 175.900 -0.128 0.000 1.036 632 Y CA -1.153 56.945 58.100 -0.003 0.000 1.065 632 Y CB 1.742 40.224 38.460 0.037 0.000 1.288 632 Y HN 0.310 nan 8.280 nan 0.000 0.481 633 V N 3.045 122.917 119.914 -0.069 0.000 2.588 633 V HA 0.421 4.541 4.120 -0.001 0.000 0.304 633 V C -1.147 174.887 176.094 -0.100 0.000 1.042 633 V CA -0.787 61.411 62.300 -0.170 0.000 0.877 633 V CB 1.668 33.321 31.823 -0.282 0.000 0.996 633 V HN 0.393 nan 8.190 nan 0.000 0.425 634 L N 4.030 125.221 121.223 -0.052 0.000 2.296 634 L HA 0.725 5.064 4.340 -0.001 0.000 0.286 634 L C 0.309 177.195 176.870 0.026 0.000 1.023 634 L CA 0.342 55.168 54.840 -0.023 0.000 0.812 634 L CB 1.709 43.767 42.059 -0.002 0.000 1.223 634 L HN 0.713 nan 8.230 nan 0.000 0.421 635 T N 3.956 118.531 114.554 0.035 0.000 2.848 635 T HA 0.540 4.889 4.350 -0.001 0.000 0.285 635 T C -0.187 174.562 174.700 0.081 0.000 0.995 635 T CA -0.404 61.730 62.100 0.057 0.000 0.970 635 T CB 1.776 70.668 68.868 0.039 0.000 0.976 635 T HN 0.393 nan 8.240 nan 0.000 0.441 636 I N 3.108 123.735 120.570 0.095 0.000 2.662 636 I HA 0.540 4.710 4.170 -0.001 0.000 0.291 636 I C 0.274 176.456 176.117 0.108 0.000 1.046 636 I CA 0.200 61.572 61.300 0.120 0.000 1.361 636 I CB 0.745 38.818 38.000 0.123 0.000 1.429 636 I HN 0.837 nan 8.210 nan 0.000 0.558 637 S N 3.323 119.106 115.700 0.137 0.000 2.697 637 S HA 0.345 4.814 4.470 -0.001 0.000 0.289 637 S C -0.077 174.563 174.600 0.066 0.000 1.149 637 S CA -0.592 57.654 58.200 0.077 0.000 0.850 637 S CB 1.552 64.778 63.200 0.044 0.000 1.151 637 S HN 0.699 nan 8.310 nan 0.000 0.491 638 D N 0.048 120.427 120.400 -0.035 0.000 2.349 638 D HA 0.140 4.779 4.640 -0.001 0.000 0.215 638 D C 0.796 176.862 176.300 -0.390 0.000 1.016 638 D CA 0.570 54.516 54.000 -0.091 0.000 0.870 638 D CB -0.145 40.615 40.800 -0.067 0.000 0.917 638 D HN 0.644 nan 8.370 nan 0.000 0.524 639 S N -1.387 113.994 115.700 -0.531 0.000 2.688 639 S HA 0.354 4.824 4.470 -0.001 0.000 0.275 639 S C -0.780 173.385 174.600 -0.725 0.000 1.175 639 S CA -1.162 56.461 58.200 -0.961 0.000 0.818 639 S CB 1.566 64.468 63.200 -0.496 0.000 1.157 639 S HN -0.079 nan 8.310 nan 0.000 0.482 640 K N 2.030 122.097 120.400 -0.555 0.000 2.466 640 K HA 0.214 4.534 4.320 -0.001 0.000 0.278 640 K C -2.341 174.275 176.600 0.026 0.000 1.048 640 K CA -0.658 55.617 56.287 -0.020 0.000 1.088 640 K CB -0.427 32.094 32.500 0.035 0.000 0.884 640 K HN 0.402 nan 8.250 nan 0.000 0.478 641 P HA 0.012 nan 4.420 nan 0.000 0.274 641 P C 0.442 177.756 177.300 0.023 0.000 1.237 641 P CA -0.323 62.816 63.100 0.065 0.000 0.793 641 P CB 0.759 32.522 31.700 0.105 0.000 0.977 642 E N 0.737 120.907 120.200 -0.050 0.000 2.118 642 E HA -0.231 4.118 4.350 -0.001 0.000 0.195 642 E C 0.514 176.918 176.600 -0.327 0.000 0.992 642 E CA 1.166 57.435 56.400 -0.218 0.000 0.804 642 E CB -0.050 29.430 29.700 -0.366 0.000 0.741 642 E HN 0.452 nan 8.360 nan 0.000 0.458 643 H N -0.662 118.420 119.070 0.019 0.000 2.487 643 H HA 0.239 4.795 4.556 -0.001 0.000 0.290 643 H C -0.517 174.808 175.328 -0.006 0.000 1.081 643 H CA 0.169 56.223 56.048 0.010 0.000 1.116 643 H CB 0.763 30.530 29.762 0.009 0.000 1.560 643 H HN -0.046 nan 8.280 nan 0.000 0.548 644 T N 1.385 115.963 114.554 0.040 0.000 2.812 644 T HA 0.321 4.671 4.350 -0.001 0.000 0.282 644 T C 0.277 174.854 174.700 -0.204 0.000 0.990 644 T CA -0.702 61.353 62.100 -0.076 0.000 0.960 644 T CB 2.149 70.972 68.868 -0.075 0.000 0.948 644 T HN 0.264 nan 8.240 nan 0.000 0.438 645 S N 2.348 117.882 115.700 -0.276 0.000 2.718 645 S HA 0.783 5.253 4.470 -0.001 0.000 0.300 645 S C -1.371 172.869 174.600 -0.599 0.000 1.117 645 S CA -0.816 57.233 58.200 -0.251 0.000 1.002 645 S CB 0.887 64.058 63.200 -0.049 0.000 1.092 645 S HN 0.579 nan 8.310 nan 0.000 0.542 646 Y N 0.061 120.374 120.300 0.021 0.000 2.350 646 Y HA 0.644 5.193 4.550 -0.001 0.000 0.338 646 Y C 0.589 176.548 175.900 0.099 0.000 0.961 646 Y CA -0.793 57.307 58.100 0.001 0.000 1.100 646 Y CB 1.664 39.992 38.460 -0.219 0.000 1.179 646 Y HN 1.034 nan 8.280 nan 0.000 0.454 647 A N 2.131 125.143 122.820 0.321 0.000 2.445 647 A HA 0.476 4.796 4.320 -0.001 0.000 0.242 647 A C 0.158 177.942 177.584 0.333 0.000 1.075 647 A CA -0.326 51.884 52.037 0.288 0.000 0.777 647 A CB 0.116 19.285 19.000 0.282 0.000 1.013 647 A HN 0.703 nan 8.150 nan 0.000 0.493 648 S N 1.284 117.116 115.700 0.219 0.000 2.617 648 S HA 0.387 4.857 4.470 -0.001 0.000 0.269 648 S C -0.046 174.653 174.600 0.165 0.000 1.292 648 S CA -0.626 57.684 58.200 0.184 0.000 1.010 648 S CB 0.361 63.629 63.200 0.113 0.000 0.944 648 S HN 0.740 nan 8.310 nan 0.000 0.536 649 N N 1.157 119.932 118.700 0.125 0.000 2.310 649 N HA 0.450 5.190 4.740 -0.001 0.000 0.292 649 N C -1.832 173.628 175.510 -0.082 0.000 1.049 649 N CA -0.559 52.525 53.050 0.056 0.000 0.849 649 N CB 2.220 40.829 38.487 0.202 0.000 1.532 649 N HN 0.333 nan 8.380 nan 0.000 0.479 650 L N 2.592 123.724 121.223 -0.152 0.000 2.406 650 L HA 0.500 4.839 4.340 -0.001 0.000 0.272 650 L C -1.518 175.204 176.870 -0.247 0.000 0.980 650 L CA -0.553 54.169 54.840 -0.197 0.000 0.831 650 L CB 1.541 43.538 42.059 -0.102 0.000 1.253 650 L HN 0.438 nan 8.230 nan 0.000 0.406 651 L N 6.693 127.725 121.223 -0.319 0.000 2.265 651 L HA 0.479 4.818 4.340 -0.001 0.000 0.289 651 L C -1.255 175.595 176.870 -0.033 0.000 1.033 651 L CA -0.440 54.276 54.840 -0.207 0.000 0.814 651 L CB 1.312 43.244 42.059 -0.211 0.000 1.203 651 L HN 0.681 nan 8.230 nan 0.000 0.423 652 L N 6.811 128.031 121.223 -0.003 0.000 2.262 652 L HA 0.556 4.895 4.340 -0.001 0.000 0.288 652 L C -0.345 176.566 176.870 0.069 0.000 1.035 652 L CA -0.544 54.322 54.840 0.043 0.000 0.820 652 L CB 1.074 43.150 42.059 0.028 0.000 1.204 652 L HN 0.655 nan 8.230 nan 0.000 0.424 653 R N 2.055 122.606 120.500 0.085 0.000 2.728 653 R HA 0.395 4.735 4.340 -0.001 0.000 0.259 653 R C -1.621 174.716 176.300 0.061 0.000 1.057 653 R CA -0.961 55.183 56.100 0.073 0.000 0.908 653 R CB 0.985 31.330 30.300 0.075 0.000 1.259 653 R HN 0.115 nan 8.270 nan 0.000 0.472 654 K N 1.591 122.015 120.400 0.040 0.000 2.219 654 K HA 0.103 4.422 4.320 -0.001 0.000 0.258 654 K C -0.070 176.531 176.600 0.002 0.000 1.008 654 K CA -0.111 56.190 56.287 0.023 0.000 0.928 654 K CB 0.304 32.815 32.500 0.019 0.000 0.983 654 K HN 0.862 nan 8.250 nan 0.000 0.484 655 N N 0.431 119.121 118.700 -0.017 0.000 2.738 655 N HA -0.113 4.626 4.740 -0.001 0.000 0.249 655 N C -2.558 172.909 175.510 -0.071 0.000 1.047 655 N CA 0.209 53.232 53.050 -0.045 0.000 0.707 655 N CB -0.782 37.681 38.487 -0.041 0.000 0.937 655 N HN 0.386 nan 8.380 nan 0.000 0.545 656 P HA 0.310 nan 4.420 nan 0.000 0.276 656 P C -0.193 176.964 177.300 -0.238 0.000 1.252 656 P CA -0.078 62.941 63.100 -0.135 0.000 0.802 656 P CB 0.995 32.597 31.700 -0.164 0.000 1.035 657 T N -3.189 111.230 114.554 -0.224 0.000 2.916 657 T HA 0.495 4.844 4.350 -0.001 0.000 0.292 657 T C 0.217 174.773 174.700 -0.239 0.000 1.064 657 T CA -0.751 61.216 62.100 -0.222 0.000 1.011 657 T CB 0.623 69.427 68.868 -0.105 0.000 1.152 657 T HN 0.482 nan 8.240 nan 0.000 0.510 658 S N 0.596 116.195 115.700 -0.167 0.000 2.576 658 S HA 0.425 4.895 4.470 -0.001 0.000 0.272 658 S C -0.142 174.567 174.600 0.181 0.000 1.352 658 S CA -0.789 57.403 58.200 -0.013 0.000 1.021 658 S CB -0.323 62.880 63.200 0.006 0.000 0.887 658 S HN 0.692 nan 8.310 nan 0.000 0.542 659 L N 2.229 123.652 121.223 0.334 0.000 2.481 659 L HA 0.376 4.716 4.340 -0.001 0.000 0.255 659 L C -2.386 174.592 176.870 0.179 0.000 1.192 659 L CA -1.665 53.345 54.840 0.282 0.000 0.924 659 L CB 1.443 43.751 42.059 0.415 0.000 1.179 659 L HN 0.570 nan 8.230 nan 0.000 0.491 660 P HA 0.193 nan 4.420 nan 0.000 0.274 660 P C -0.027 177.270 177.300 -0.005 0.000 1.231 660 P CA -0.155 62.980 63.100 0.059 0.000 0.790 660 P CB 1.638 33.360 31.700 0.037 0.000 0.951 661 L N 0.876 122.106 121.223 0.011 0.000 3.366 661 L HA 0.288 4.628 4.340 -0.001 0.000 0.304 661 L C 1.349 178.282 176.870 0.105 0.000 1.292 661 L CA -0.085 54.741 54.840 -0.024 0.000 1.012 661 L CB 0.068 42.088 42.059 -0.064 0.000 1.414 661 L HN 0.732 nan 8.230 nan 0.000 0.603 662 G N 1.056 109.899 108.800 0.072 0.000 2.591 662 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.298 662 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.298 662 G C 0.507 175.459 174.900 0.088 0.000 1.195 662 G CA 0.692 45.852 45.100 0.100 0.000 0.989 662 G HN 0.440 nan 8.290 nan 0.000 0.551 663 Q N -0.477 119.357 119.800 0.057 0.000 2.472 663 Q HA 0.199 4.539 4.340 -0.001 0.000 0.208 663 Q C 0.783 176.606 176.000 -0.296 0.000 0.958 663 Q CA 0.182 55.906 55.803 -0.132 0.000 0.932 663 Q CB 0.254 28.817 28.738 -0.290 0.000 1.007 663 Q HN 0.491 nan 8.270 nan 0.000 0.508 664 Y N 3.463 123.562 120.300 -0.335 0.000 2.721 664 Y HA -0.039 4.510 4.550 -0.001 0.000 0.329 664 Y C -1.475 174.277 175.900 -0.247 0.000 1.211 664 Y CA -1.561 56.320 58.100 -0.365 0.000 1.512 664 Y CB 0.838 39.229 38.460 -0.114 0.000 1.249 664 Y HN 0.055 nan 8.280 nan 0.000 0.549 665 P HA -0.029 nan 4.420 nan 0.000 0.245 665 P C -0.754 176.383 177.300 -0.272 0.000 1.212 665 P CA 0.845 63.681 63.100 -0.439 0.000 0.774 665 P CB 0.522 31.864 31.700 -0.596 0.000 0.999 666 E N 1.098 121.176 120.200 -0.203 0.000 2.165 666 E HA 0.210 4.560 4.350 -0.001 0.000 0.266 666 E C -0.570 176.145 176.600 0.191 0.000 0.889 666 E CA -0.566 55.856 56.400 0.038 0.000 0.756 666 E CB 1.357 31.119 29.700 0.104 0.000 1.131 666 E HN 0.029 nan 8.360 nan 0.000 0.411 667 D N 1.441 121.918 120.400 0.128 0.000 2.424 667 D HA 0.060 4.700 4.640 -0.001 0.000 0.244 667 D C 0.231 176.600 176.300 0.114 0.000 1.134 667 D CA -0.153 53.928 54.000 0.135 0.000 0.881 667 D CB 1.009 41.877 40.800 0.112 0.000 1.191 667 D HN 0.039 nan 8.370 nan 0.000 0.445 668 V N 3.562 123.531 119.914 0.092 0.000 2.673 668 V HA -0.034 4.086 4.120 -0.001 0.000 0.303 668 V C 0.891 176.828 176.094 -0.260 0.000 1.046 668 V CA 0.170 62.422 62.300 -0.080 0.000 1.126 668 V CB 0.318 32.066 31.823 -0.125 0.000 0.934 668 V HN 0.309 nan 8.190 nan 0.000 0.487 669 K N 3.495 123.680 120.400 -0.357 0.000 2.118 669 K HA 0.652 4.971 4.320 -0.001 0.000 0.254 669 K C -0.958 175.268 176.600 -0.623 0.000 0.961 669 K CA -0.338 55.777 56.287 -0.287 0.000 0.876 669 K CB 1.763 34.208 32.500 -0.092 0.000 1.077 669 K HN 0.434 nan 8.250 nan 0.000 0.440 670 F N -0.883 119.082 119.950 0.026 0.000 2.577 670 F HA 0.658 5.184 4.527 -0.001 0.000 0.318 670 F C 0.657 176.464 175.800 0.012 0.000 1.065 670 F CA -0.637 57.371 58.000 0.012 0.000 0.929 670 F CB 2.689 41.697 39.000 0.012 0.000 1.237 670 F HN 0.592 nan 8.300 nan 0.000 0.468 671 G N 0.499 109.405 108.800 0.177 0.000 2.623 671 G HA2 0.422 4.382 3.960 -0.001 0.000 0.290 671 G HA3 0.422 4.382 3.960 -0.001 0.000 0.290 671 G C -2.095 172.860 174.900 0.092 0.000 1.437 671 G CA -0.837 44.330 45.100 0.110 0.000 0.798 671 G HN 0.368 nan 8.290 nan 0.000 0.488 672 D N 0.774 121.215 120.400 0.068 0.000 2.362 672 D HA 0.375 5.015 4.640 -0.001 0.000 0.242 672 D C -2.003 174.328 176.300 0.052 0.000 1.132 672 D CA -0.659 53.375 54.000 0.056 0.000 0.907 672 D CB 0.847 41.674 40.800 0.044 0.000 1.195 672 D HN 0.001 nan 8.370 nan 0.000 0.429 673 P HA 0.048 nan 4.420 nan 0.000 0.263 673 P C -0.452 176.878 177.300 0.050 0.000 1.175 673 P CA 0.462 63.594 63.100 0.053 0.000 0.761 673 P CB 0.372 32.105 31.700 0.055 0.000 0.794 674 R N 0.472 121.004 120.500 0.053 0.000 2.690 674 R HA 0.411 4.750 4.340 -0.001 0.000 0.269 674 R C -1.131 175.209 176.300 0.067 0.000 1.037 674 R CA -1.010 55.121 56.100 0.052 0.000 0.877 674 R CB 1.129 31.456 30.300 0.045 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.650 121.890 120.200 0.067 0.000 2.415 675 E HA 0.159 4.509 4.350 -0.001 0.000 0.262 675 E C -0.156 176.502 176.600 0.096 0.000 1.038 675 E CA -0.054 56.399 56.400 0.089 0.000 0.921 675 E CB 0.734 30.470 29.700 0.059 0.000 0.950 675 E HN 0.232 nan 8.360 nan 0.000 0.438 676 I N 1.324 121.987 120.570 0.154 0.000 2.730 676 I HA 0.235 4.405 4.170 -0.001 0.000 0.298 676 I C -0.378 175.884 176.117 0.242 0.000 1.089 676 I CA -0.491 60.907 61.300 0.164 0.000 1.041 676 I CB 2.105 40.179 38.000 0.124 0.000 1.235 676 I HN 0.358 nan 8.210 nan 0.000 0.423 677 S N 5.734 121.549 115.700 0.192 0.000 2.542 677 S HA 0.832 5.302 4.470 -0.001 0.000 0.293 677 S C -0.673 174.048 174.600 0.200 0.000 1.089 677 S CA -0.584 57.742 58.200 0.210 0.000 0.961 677 S CB 2.570 65.839 63.200 0.115 0.000 1.062 677 S HN 0.365 nan 8.310 nan 0.000 0.483 678 L N 1.893 123.260 121.223 0.239 0.000 2.409 678 L HA 0.685 5.025 4.340 -0.001 0.000 0.262 678 L C -0.470 176.494 176.870 0.157 0.000 0.992 678 L CA -0.681 54.270 54.840 0.184 0.000 0.817 678 L CB 2.303 44.483 42.059 0.201 0.000 1.350 678 L HN 0.508 nan 8.230 nan 0.000 0.411 679 R N 1.505 122.075 120.500 0.116 0.000 2.533 679 R HA 0.667 5.006 4.340 -0.001 0.000 0.288 679 R C -1.993 174.355 176.300 0.080 0.000 1.039 679 R CA -0.488 55.669 56.100 0.094 0.000 0.909 679 R CB 2.302 32.649 30.300 0.078 0.000 1.195 679 R HN 0.409 nan 8.270 nan 0.000 0.438 680 V N 4.557 124.516 119.914 0.075 0.000 2.427 680 V HA 0.576 4.696 4.120 -0.001 0.000 0.286 680 V C 1.074 177.200 176.094 0.053 0.000 1.034 680 V CA 0.670 63.009 62.300 0.065 0.000 0.893 680 V CB 1.093 32.956 31.823 0.067 0.000 0.982 680 V HN 1.117 nan 8.190 nan 0.000 0.452 681 G N 5.293 114.122 108.800 0.049 0.000 2.566 681 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.280 681 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.280 681 G C 0.264 175.185 174.900 0.035 0.000 1.225 681 G CA 0.637 45.761 45.100 0.041 0.000 0.966 681 G HN 1.261 nan 8.290 nan 0.000 0.560 682 N N 1.207 119.924 118.700 0.028 0.000 2.273 682 N HA 0.461 5.201 4.740 -0.001 0.000 0.231 682 N C 0.902 176.423 175.510 0.017 0.000 1.134 682 N CA 1.034 54.097 53.050 0.021 0.000 0.856 682 N CB 0.315 38.811 38.487 0.015 0.000 1.068 682 N HN 0.957 nan 8.380 nan 0.000 0.510 683 G N 0.781 109.595 108.800 0.024 0.000 2.516 683 G HA2 0.342 4.302 3.960 -0.001 0.000 0.276 683 G HA3 0.342 4.302 3.960 -0.001 0.000 0.276 683 G C -2.375 172.537 174.900 0.020 0.000 1.390 683 G CA -1.129 43.984 45.100 0.022 0.000 1.050 683 G HN 0.136 nan 8.290 nan 0.000 0.519 684 P HA 0.189 nan 4.420 nan 0.000 0.272 684 P C -0.466 176.856 177.300 0.037 0.000 1.230 684 P CA 0.059 63.166 63.100 0.012 0.000 0.788 684 P CB 0.761 32.464 31.700 0.006 0.000 0.949 685 T N 2.751 117.326 114.554 0.034 0.000 2.749 685 T HA 0.439 4.788 4.350 -0.001 0.000 0.287 685 T C 0.071 174.813 174.700 0.070 0.000 0.970 685 T CA -0.363 61.782 62.100 0.076 0.000 0.980 685 T CB 0.068 68.998 68.868 0.103 0.000 0.924 685 T HN 0.171 nan 8.240 nan 0.000 0.456 686 L N 2.747 124.015 121.223 0.075 0.000 2.307 686 L HA 0.770 5.110 4.340 -0.001 0.000 0.284 686 L C 0.232 177.052 176.870 -0.084 0.000 1.023 686 L CA -1.142 53.666 54.840 -0.055 0.000 0.810 686 L CB 1.456 43.469 42.059 -0.076 0.000 1.231 686 L HN 0.636 nan 8.230 nan 0.000 0.423 687 A N 3.265 125.942 122.820 -0.238 0.000 2.337 687 A HA 0.867 5.186 4.320 -0.001 0.000 0.329 687 A C -1.198 176.157 177.584 -0.382 0.000 1.146 687 A CA -0.312 51.636 52.037 -0.148 0.000 0.800 687 A CB 0.828 19.781 19.000 -0.078 0.000 1.220 687 A HN 0.510 nan 8.150 nan 0.000 0.472 688 F N 0.882 120.874 119.950 0.069 0.000 2.532 688 F HA 0.515 5.042 4.527 -0.001 0.000 0.321 688 F C 1.101 176.948 175.800 0.077 0.000 1.089 688 F CA -0.276 57.783 58.000 0.098 0.000 0.926 688 F CB 2.199 41.259 39.000 0.101 0.000 1.168 688 F HN 0.695 nan 8.300 nan 0.000 0.459 689 S N 0.264 116.123 115.700 0.265 0.000 2.606 689 S HA 0.069 4.538 4.470 -0.001 0.000 0.257 689 S C 1.082 175.788 174.600 0.176 0.000 1.327 689 S CA 0.038 58.343 58.200 0.176 0.000 0.984 689 S CB 0.634 63.937 63.200 0.172 0.000 0.941 689 S HN 0.859 nan 8.310 nan 0.000 0.576 690 E N -0.341 119.930 120.200 0.119 0.000 2.409 690 E HA -0.154 4.196 4.350 -0.001 0.000 0.198 690 E C 1.237 177.901 176.600 0.107 0.000 1.024 690 E CA 0.829 57.289 56.400 0.101 0.000 0.861 690 E CB -0.316 29.428 29.700 0.072 0.000 0.788 690 E HN 0.686 nan 8.360 nan 0.000 0.521 691 Q N 0.004 119.882 119.800 0.130 0.000 2.320 691 Q HA 0.234 4.573 4.340 -0.001 0.000 0.201 691 Q C 0.833 176.925 176.000 0.153 0.000 0.910 691 Q CA 0.631 56.510 55.803 0.126 0.000 0.946 691 Q CB 1.022 29.834 28.738 0.125 0.000 1.062 691 Q HN 0.477 nan 8.270 nan 0.000 0.503 692 G N 0.023 108.936 108.800 0.189 0.000 2.136 692 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.242 692 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.242 692 G C -0.379 174.750 174.900 0.383 0.000 0.989 692 G CA -0.162 45.059 45.100 0.201 0.000 0.682 692 G HN 0.259 nan 8.290 nan 0.000 0.522 693 L N -0.130 121.359 121.223 0.443 0.000 2.329 693 L HA 0.698 5.037 4.340 -0.001 0.000 0.279 693 L C 0.723 177.893 176.870 0.499 0.000 1.014 693 L CA -1.333 53.809 54.840 0.504 0.000 0.814 693 L CB 1.643 43.901 42.059 0.331 0.000 1.257 693 L HN 0.135 nan 8.230 nan 0.000 0.424 694 L N 3.332 124.826 121.223 0.452 0.000 2.559 694 L HA -0.044 4.295 4.340 -0.001 0.000 0.282 694 L C 1.049 177.988 176.870 0.116 0.000 1.232 694 L CA 0.936 55.785 54.840 0.014 0.000 0.885 694 L CB 0.164 42.265 42.059 0.070 0.000 1.131 694 L HN 0.827 nan 8.230 nan 0.000 0.498 695 K N 1.314 121.681 120.400 -0.055 0.000 2.474 695 K HA 0.321 4.641 4.320 -0.001 0.000 0.204 695 K C -0.095 176.443 176.600 -0.104 0.000 1.220 695 K CA 0.308 56.581 56.287 -0.023 0.000 0.966 695 K CB 0.432 32.889 32.500 -0.071 0.000 1.049 695 K HN 0.600 nan 8.250 nan 0.000 0.554 696 S N 0.336 115.950 115.700 -0.143 0.000 2.565 696 S HA 0.582 5.051 4.470 -0.001 0.000 0.269 696 S C -1.126 173.418 174.600 -0.094 0.000 1.153 696 S CA -1.007 57.133 58.200 -0.100 0.000 0.835 696 S CB 1.291 64.469 63.200 -0.038 0.000 1.122 696 S HN 0.178 nan 8.310 nan 0.000 0.462 697 I N 1.465 122.000 120.570 -0.060 0.000 2.466 697 I HA 0.453 4.623 4.170 -0.001 0.000 0.289 697 I C -0.516 175.577 176.117 -0.039 0.000 1.026 697 I CA -0.392 60.878 61.300 -0.049 0.000 1.078 697 I CB 2.117 40.074 38.000 -0.071 0.000 1.249 697 I HN 0.726 nan 8.210 nan 0.000 0.429 698 Q N 6.041 125.813 119.800 -0.045 0.000 2.368 698 Q HA 0.407 4.747 4.340 -0.001 0.000 0.263 698 Q C 0.076 176.011 176.000 -0.108 0.000 1.009 698 Q CA -0.490 55.213 55.803 -0.166 0.000 0.818 698 Q CB 1.619 30.135 28.738 -0.369 0.000 1.239 698 Q HN 0.784 nan 8.270 nan 0.000 0.464 699 L N 2.060 123.224 121.223 -0.098 0.000 2.093 699 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 699 L C 1.176 178.012 176.870 -0.058 0.000 1.085 699 L CA 1.332 56.133 54.840 -0.065 0.000 0.755 699 L CB -0.202 41.820 42.059 -0.061 0.000 0.904 699 L HN 0.691 nan 8.230 nan 0.000 0.435 700 T N -6.055 108.454 114.554 -0.076 0.000 2.778 700 T HA 0.139 4.489 4.350 -0.001 0.000 0.293 700 T C 0.333 174.991 174.700 -0.070 0.000 1.144 700 T CA -0.490 61.576 62.100 -0.057 0.000 1.010 700 T CB 1.958 70.798 68.868 -0.046 0.000 1.325 700 T HN 0.074 nan 8.240 nan 0.000 0.515 701 Q N 0.666 120.440 119.800 -0.043 0.000 2.077 701 Q HA -0.219 4.121 4.340 -0.001 0.000 0.206 701 Q C 1.357 177.328 176.000 -0.047 0.000 0.989 701 Q CA 2.680 58.464 55.803 -0.032 0.000 0.853 701 Q CB -0.330 28.401 28.738 -0.012 0.000 0.907 701 Q HN 0.817 nan 8.270 nan 0.000 0.418 702 D N -0.111 120.259 120.400 -0.050 0.000 2.349 702 D HA -0.008 4.632 4.640 -0.001 0.000 0.214 702 D C 0.414 176.669 176.300 -0.076 0.000 1.063 702 D CA 0.470 54.441 54.000 -0.048 0.000 0.847 702 D CB -0.047 40.737 40.800 -0.025 0.000 0.933 702 D HN 0.280 nan 8.370 nan 0.000 0.513 703 S N 0.283 115.917 115.700 -0.110 0.000 2.624 703 S HA 0.481 4.950 4.470 -0.001 0.000 0.263 703 S C -2.568 171.926 174.600 -0.177 0.000 1.287 703 S CA -1.047 57.084 58.200 -0.115 0.000 0.990 703 S CB 0.911 64.049 63.200 -0.102 0.000 0.950 703 S HN -0.137 nan 8.310 nan 0.000 0.561 704 P HA 0.170 nan 4.420 nan 0.000 0.271 704 P C -0.619 176.571 177.300 -0.183 0.000 1.218 704 P CA -0.114 62.921 63.100 -0.107 0.000 0.780 704 P CB 0.123 31.799 31.700 -0.041 0.000 0.901 705 H N 0.958 120.011 119.070 -0.029 0.000 3.004 705 H HA 0.127 4.683 4.556 -0.001 0.000 0.267 705 H C -0.103 175.189 175.328 -0.059 0.000 1.165 705 H CA -0.303 55.719 56.048 -0.044 0.000 1.450 705 H CB -0.114 29.625 29.762 -0.039 0.000 1.488 705 H HN 0.121 nan 8.280 nan 0.000 0.478 706 V N 7.068 126.979 119.914 -0.006 0.000 2.470 706 V HA 0.055 4.174 4.120 -0.001 0.000 0.276 706 V C -1.866 174.174 176.094 -0.090 0.000 1.040 706 V CA -1.526 60.744 62.300 -0.049 0.000 1.008 706 V CB 0.696 32.480 31.823 -0.065 0.000 0.990 706 V HN 0.551 nan 8.190 nan 0.000 0.477 707 P HA 0.187 nan 4.420 nan 0.000 0.267 707 P C -0.812 176.347 177.300 -0.234 0.000 1.209 707 P CA 0.203 63.162 63.100 -0.234 0.000 0.763 707 P CB 0.537 31.964 31.700 -0.456 0.000 0.816 708 V N 4.166 123.971 119.914 -0.181 0.000 2.559 708 V HA 0.226 4.346 4.120 -0.001 0.000 0.289 708 V C -0.836 175.163 176.094 -0.157 0.000 1.036 708 V CA -0.412 61.768 62.300 -0.200 0.000 0.887 708 V CB 1.201 32.894 31.823 -0.216 0.000 1.022 708 V HN 0.549 nan 8.190 nan 0.000 0.442 709 H N 4.508 123.418 119.070 -0.267 0.000 2.505 709 H HA 0.687 5.243 4.556 -0.001 0.000 0.338 709 H C -1.256 173.950 175.328 -0.203 0.000 1.057 709 H CA -1.017 54.921 56.048 -0.183 0.000 1.202 709 H CB 1.140 30.838 29.762 -0.107 0.000 1.466 709 H HN 0.385 nan 8.280 nan 0.000 0.499 710 F N 3.727 123.419 119.950 -0.431 0.000 2.384 710 F HA 0.391 4.917 4.527 -0.001 0.000 0.338 710 F C 0.431 175.750 175.800 -0.801 0.000 1.103 710 F CA -0.077 57.611 58.000 -0.519 0.000 1.157 710 F CB 0.969 39.780 39.000 -0.315 0.000 1.167 710 F HN 0.462 nan 8.300 nan 0.000 0.529 711 K N 2.789 122.945 120.400 -0.408 0.000 2.523 711 K HA 0.513 4.833 4.320 -0.001 0.000 0.257 711 K C -2.001 174.344 176.600 -0.424 0.000 0.932 711 K CA -0.572 55.514 56.287 -0.334 0.000 0.812 711 K CB 1.344 33.701 32.500 -0.239 0.000 1.326 711 K HN 0.393 nan 8.250 nan 0.000 0.433 712 F N 3.734 123.606 119.950 -0.130 0.000 2.436 712 F HA 0.498 5.025 4.527 -0.001 0.000 0.340 712 F C -0.389 175.367 175.800 -0.073 0.000 1.113 712 F CA -0.597 57.341 58.000 -0.103 0.000 1.022 712 F CB 1.210 40.135 39.000 -0.125 0.000 1.128 712 F HN 0.237 nan 8.300 nan 0.000 0.466 713 L N 2.476 123.742 121.223 0.072 0.000 2.303 713 L HA 0.622 4.962 4.340 -0.001 0.000 0.256 713 L C -0.981 175.886 176.870 -0.005 0.000 1.034 713 L CA -0.947 53.886 54.840 -0.010 0.000 0.832 713 L CB 2.084 44.076 42.059 -0.112 0.000 1.403 713 L HN 0.395 nan 8.230 nan 0.000 0.419 714 K N 0.163 120.524 120.400 -0.066 0.000 2.397 714 K HA 0.571 4.891 4.320 -0.001 0.000 0.253 714 K C -1.761 174.784 176.600 -0.090 0.000 0.932 714 K CA -0.688 55.594 56.287 -0.009 0.000 0.795 714 K CB 2.044 34.562 32.500 0.029 0.000 1.159 714 K HN 0.271 nan 8.250 nan 0.000 0.424 715 Y N 0.045 120.407 120.300 0.103 0.000 2.352 715 Y HA 0.464 5.014 4.550 -0.001 0.000 0.326 715 Y C 1.050 177.009 175.900 0.098 0.000 1.166 715 Y CA -0.065 58.108 58.100 0.122 0.000 1.182 715 Y CB 1.734 40.331 38.460 0.230 0.000 1.216 715 Y HN 0.746 nan 8.280 nan 0.000 0.474 716 G N 0.525 109.471 108.800 0.244 0.000 2.971 716 G HA2 0.635 4.595 3.960 -0.001 0.000 0.235 716 G HA3 0.635 4.595 3.960 -0.001 0.000 0.235 716 G C -1.473 173.507 174.900 0.132 0.000 1.351 716 G CA -0.756 44.433 45.100 0.149 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.089 119.872 119.914 0.077 0.000 2.823 717 V HA 0.465 4.585 4.120 -0.001 0.000 0.312 717 V C -0.028 176.078 176.094 0.020 0.000 1.072 717 V CA -0.867 61.462 62.300 0.047 0.000 0.937 717 V CB 1.911 33.760 31.823 0.043 0.000 1.013 717 V HN 0.682 nan 8.190 nan 0.000 0.430 718 R N 1.390 121.893 120.500 0.006 0.000 2.590 718 R HA 0.206 4.545 4.340 -0.001 0.000 0.274 718 R C 1.090 177.368 176.300 -0.036 0.000 1.061 718 R CA 0.444 56.543 56.100 -0.001 0.000 1.081 718 R CB 0.570 30.875 30.300 0.009 0.000 0.984 718 R HN 0.907 nan 8.270 nan 0.000 0.448 719 S N 1.141 116.792 115.700 -0.082 0.000 2.556 719 S HA 0.076 4.546 4.470 -0.001 0.000 0.216 719 S C 0.304 174.626 174.600 -0.465 0.000 0.970 719 S CA -0.139 57.920 58.200 -0.235 0.000 0.912 719 S CB 0.136 63.181 63.200 -0.257 0.000 0.790 719 S HN 0.549 nan 8.310 nan 0.000 0.504 720 H N 0.058 119.128 119.070 0.000 0.000 2.821 720 H HA 0.582 5.137 4.556 -0.001 0.000 0.373 720 H C 0.971 176.295 175.328 -0.006 0.000 1.165 720 H CA -0.076 55.971 56.048 -0.003 0.000 1.154 720 H CB 1.363 31.123 29.762 -0.003 0.000 1.765 720 H HN 0.369 nan 8.280 nan 0.000 0.549 721 G N 1.976 110.852 108.800 0.126 0.000 2.539 721 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.256 721 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.256 721 G C -0.702 174.213 174.900 0.026 0.000 1.233 721 G CA -0.130 45.006 45.100 0.060 0.000 0.936 721 G HN 0.608 nan 8.290 nan 0.000 0.571 722 D N 1.662 122.069 120.400 0.012 0.000 2.255 722 D HA 0.514 5.154 4.640 -0.001 0.000 0.249 722 D C 0.838 177.133 176.300 -0.008 0.000 1.078 722 D CA -0.069 53.928 54.000 -0.005 0.000 0.896 722 D CB 0.737 41.528 40.800 -0.014 0.000 1.194 722 D HN 0.414 nan 8.370 nan 0.000 0.429 723 R N 1.063 121.557 120.500 -0.011 0.000 2.474 723 R HA 0.338 4.677 4.340 -0.001 0.000 0.295 723 R C 0.006 176.305 176.300 -0.002 0.000 0.980 723 R CA -0.645 55.453 56.100 -0.004 0.000 0.934 723 R CB 1.163 31.462 30.300 -0.001 0.000 1.101 723 R HN 0.319 nan 8.270 nan 0.000 0.469 724 S N 0.400 116.110 115.700 0.016 0.000 2.563 724 S HA 0.323 4.792 4.470 -0.001 0.000 0.284 724 S C 0.612 175.234 174.600 0.037 0.000 1.331 724 S CA 0.138 58.363 58.200 0.041 0.000 1.047 724 S CB 1.015 64.271 63.200 0.093 0.000 0.859 724 S HN 0.784 nan 8.310 nan 0.000 0.514 725 G N 0.027 108.849 108.800 0.037 0.000 2.846 725 G HA2 0.593 4.552 3.960 -0.001 0.000 0.299 725 G HA3 0.593 4.552 3.960 -0.001 0.000 0.299 725 G C 0.576 175.501 174.900 0.042 0.000 1.242 725 G CA -0.119 45.009 45.100 0.047 0.000 0.800 725 G HN 0.704 nan 8.290 nan 0.000 0.538 726 A N -1.226 121.612 122.820 0.030 0.000 1.978 726 A HA 0.066 4.385 4.320 -0.001 0.000 0.220 726 A C 1.955 179.469 177.584 -0.116 0.000 1.170 726 A CA 2.057 54.056 52.037 -0.063 0.000 0.636 726 A CB -0.655 18.245 19.000 -0.166 0.000 0.810 726 A HN 0.588 nan 8.150 nan 0.000 0.448 727 Y N -0.702 119.538 120.300 -0.099 0.000 2.266 727 Y HA 0.322 4.872 4.550 -0.001 0.000 0.294 727 Y C 0.929 176.724 175.900 -0.175 0.000 1.127 727 Y CA 0.108 58.078 58.100 -0.217 0.000 1.140 727 Y CB -0.227 37.775 38.460 -0.765 0.000 1.071 727 Y HN 0.025 nan 8.280 nan 0.000 0.525 728 L N 0.572 121.755 121.223 -0.067 0.000 2.312 728 L HA 0.189 4.529 4.340 -0.001 0.000 0.281 728 L C -1.089 175.834 176.870 0.088 0.000 1.070 728 L CA -0.515 54.288 54.840 -0.061 0.000 0.805 728 L CB 0.825 42.794 42.059 -0.148 0.000 1.174 728 L HN 0.038 nan 8.230 nan 0.000 0.434 729 F N 4.944 124.842 119.950 -0.088 0.000 2.361 729 F HA 0.478 5.005 4.527 -0.001 0.000 0.364 729 F C -0.699 175.031 175.800 -0.117 0.000 1.117 729 F CA -1.126 56.785 58.000 -0.147 0.000 1.071 729 F CB 0.632 39.478 39.000 -0.257 0.000 1.188 729 F HN 0.211 nan 8.300 nan 0.000 0.464 730 L N 9.096 130.224 121.223 -0.158 0.000 2.529 730 L HA 0.332 4.672 4.340 -0.001 0.000 0.246 730 L C -2.348 174.360 176.870 -0.269 0.000 1.394 730 L CA -1.730 52.969 54.840 -0.234 0.000 0.906 730 L CB 1.016 43.028 42.059 -0.079 0.000 1.170 730 L HN 0.386 nan 8.230 nan 0.000 0.501 731 P HA 0.040 nan 4.420 nan 0.000 0.272 731 P C -0.487 176.748 177.300 -0.108 0.000 1.230 731 P CA -0.282 62.646 63.100 -0.286 0.000 0.788 731 P CB 0.575 31.987 31.700 -0.480 0.000 0.949 732 N N 0.843 119.549 118.700 0.010 0.000 3.250 732 N HA 0.281 5.020 4.740 -0.001 0.000 0.307 732 N C 0.652 176.188 175.510 0.043 0.000 1.355 732 N CA -0.192 52.872 53.050 0.023 0.000 1.192 732 N CB -0.779 37.730 38.487 0.037 0.000 1.478 732 N HN 0.741 nan 8.380 nan 0.000 0.543 733 G N 0.801 109.622 108.800 0.035 0.000 2.655 733 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.680 733 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.680 733 G C -3.076 171.900 174.900 0.127 0.000 1.302 733 G CA -1.088 44.042 45.100 0.051 0.000 0.872 733 G HN 0.362 nan 8.290 nan 0.000 0.540 734 P HA 0.459 nan 4.420 nan 0.000 0.268 734 P C 0.511 177.773 177.300 -0.063 0.000 1.208 734 P CA 0.647 63.805 63.100 0.096 0.000 0.777 734 P CB 0.380 32.107 31.700 0.045 0.000 0.875 735 A N 2.175 124.768 122.820 -0.379 0.000 2.425 735 A HA 0.378 4.698 4.320 -0.001 0.000 0.242 735 A C 0.202 177.636 177.584 -0.249 0.000 1.077 735 A CA 0.246 51.914 52.037 -0.616 0.000 0.781 735 A CB -0.269 18.074 19.000 -1.094 0.000 1.020 735 A HN 0.484 nan 8.150 nan 0.000 0.494 736 S N 2.424 118.019 115.700 -0.175 0.000 2.509 736 S HA 0.583 5.053 4.470 -0.001 0.000 0.297 736 S C -2.699 171.865 174.600 -0.060 0.000 1.118 736 S CA -1.043 57.109 58.200 -0.079 0.000 1.074 736 S CB 1.269 64.445 63.200 -0.041 0.000 1.038 736 S HN 0.577 nan 8.310 nan 0.000 0.498 737 P HA 0.087 nan 4.420 nan 0.000 0.268 737 P C -0.599 176.707 177.300 0.011 0.000 1.204 737 P CA -0.305 62.794 63.100 -0.003 0.000 0.768 737 P CB 0.244 31.953 31.700 0.015 0.000 0.842 738 V N 4.081 124.014 119.914 0.032 0.000 2.599 738 V HA -0.055 4.065 4.120 -0.001 0.000 0.300 738 V C 1.074 177.182 176.094 0.024 0.000 1.034 738 V CA 0.286 62.603 62.300 0.028 0.000 1.115 738 V CB -0.383 31.463 31.823 0.039 0.000 0.934 738 V HN 0.511 nan 8.190 nan 0.000 0.485 739 E N 5.439 125.647 120.200 0.013 0.000 2.265 739 E HA 0.120 4.470 4.350 -0.001 0.000 0.272 739 E C 0.385 176.991 176.600 0.010 0.000 1.067 739 E CA -0.157 56.251 56.400 0.015 0.000 0.900 739 E CB 0.932 30.639 29.700 0.012 0.000 1.017 739 E HN 0.562 nan 8.360 nan 0.000 0.431 740 L N 2.301 123.535 121.223 0.019 0.000 2.529 740 L HA 0.103 4.443 4.340 -0.001 0.000 0.223 740 L C 1.353 178.233 176.870 0.017 0.000 1.113 740 L CA 0.423 55.270 54.840 0.012 0.000 0.861 740 L CB -0.484 41.593 42.059 0.030 0.000 1.012 740 L HN 0.848 nan 8.230 nan 0.000 0.461 741 G N 0.924 109.738 108.800 0.023 0.000 2.547 741 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.271 741 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.271 741 G C 0.047 174.969 174.900 0.035 0.000 1.209 741 G CA 0.225 45.341 45.100 0.027 0.000 0.959 741 G HN 0.348 nan 8.290 nan 0.000 0.563 742 Q N 1.600 121.424 119.800 0.040 0.000 2.788 742 Q HA 0.460 4.799 4.340 -0.001 0.000 0.261 742 Q C -2.152 173.883 176.000 0.058 0.000 1.029 742 Q CA -1.576 54.255 55.803 0.047 0.000 0.848 742 Q CB 1.068 29.831 28.738 0.042 0.000 1.185 742 Q HN 0.622 nan 8.270 nan 0.000 0.482 743 P HA 0.073 nan 4.420 nan 0.000 0.274 743 P C -0.445 176.919 177.300 0.108 0.000 1.237 743 P CA -0.307 62.839 63.100 0.076 0.000 0.793 743 P CB 1.247 32.973 31.700 0.043 0.000 0.977 744 V N 2.151 122.168 119.914 0.172 0.000 2.530 744 V HA 0.126 4.246 4.120 -0.001 0.000 0.282 744 V C 0.548 176.800 176.094 0.264 0.000 1.048 744 V CA -0.214 62.213 62.300 0.212 0.000 0.997 744 V CB 1.199 33.185 31.823 0.272 0.000 0.987 744 V HN 0.265 nan 8.190 nan 0.000 0.477 745 V N 6.261 126.273 119.914 0.163 0.000 2.495 745 V HA 0.475 4.595 4.120 -0.001 0.000 0.298 745 V C -0.452 175.667 176.094 0.042 0.000 1.031 745 V CA -0.630 61.743 62.300 0.121 0.000 0.871 745 V CB 1.703 33.558 31.823 0.053 0.000 0.988 745 V HN 0.665 nan 8.190 nan 0.000 0.432 746 L N 6.642 127.881 121.223 0.027 0.000 2.325 746 L HA 0.713 5.053 4.340 -0.001 0.000 0.281 746 L C -0.621 176.142 176.870 -0.178 0.000 1.004 746 L CA -0.015 54.719 54.840 -0.177 0.000 0.823 746 L CB 1.733 43.582 42.059 -0.350 0.000 1.236 746 L HN 0.443 nan 8.230 nan 0.000 0.415 747 V N 4.062 123.861 119.914 -0.191 0.000 2.384 747 V HA 0.549 4.668 4.120 -0.001 0.000 0.287 747 V C 0.047 176.076 176.094 -0.109 0.000 1.020 747 V CA -0.404 61.805 62.300 -0.151 0.000 0.850 747 V CB 1.528 33.278 31.823 -0.123 0.000 0.987 747 V HN 0.834 nan 8.190 nan 0.000 0.436 748 T N 5.349 119.869 114.554 -0.057 0.000 2.779 748 T HA 0.447 4.797 4.350 -0.001 0.000 0.280 748 T C -0.378 174.354 174.700 0.053 0.000 0.987 748 T CA -0.577 61.546 62.100 0.038 0.000 0.966 748 T CB 1.141 70.073 68.868 0.106 0.000 0.933 748 T HN 0.658 nan 8.240 nan 0.000 0.442 749 K N 2.374 122.821 120.400 0.080 0.000 2.450 749 K HA 0.670 4.990 4.320 -0.001 0.000 0.257 749 K C -0.376 176.285 176.600 0.102 0.000 0.953 749 K CA -0.578 55.755 56.287 0.077 0.000 0.844 749 K CB 1.002 33.541 32.500 0.064 0.000 1.103 749 K HN 0.795 nan 8.250 nan 0.000 0.429 750 G N 2.320 111.177 108.800 0.095 0.000 2.658 750 G HA2 0.231 4.190 3.960 -0.001 0.000 0.292 750 G HA3 0.231 4.190 3.960 -0.001 0.000 0.292 750 G C -0.239 174.707 174.900 0.078 0.000 1.320 750 G CA -0.639 44.519 45.100 0.097 0.000 0.933 750 G HN 0.615 nan 8.290 nan 0.000 0.476 751 K N -0.403 120.039 120.400 0.069 0.000 2.155 751 K HA 0.116 4.435 4.320 -0.001 0.000 0.203 751 K C 1.958 178.595 176.600 0.061 0.000 1.052 751 K CA 0.842 57.166 56.287 0.061 0.000 0.948 751 K CB -0.035 32.497 32.500 0.055 0.000 0.728 751 K HN 0.321 nan 8.250 nan 0.000 0.448 752 L N -0.406 120.855 121.223 0.063 0.000 2.357 752 L HA 0.145 4.484 4.340 -0.001 0.000 0.211 752 L C 0.719 177.625 176.870 0.060 0.000 1.075 752 L CA 0.216 55.093 54.840 0.061 0.000 0.830 752 L CB 0.390 42.489 42.059 0.065 0.000 0.996 752 L HN 0.129 nan 8.230 nan 0.000 0.467 753 E N -0.221 120.020 120.200 0.068 0.000 2.321 753 E HA 0.395 4.745 4.350 -0.001 0.000 0.281 753 E C -1.523 175.124 176.600 0.078 0.000 0.910 753 E CA -0.211 56.230 56.400 0.069 0.000 0.770 753 E CB 2.210 31.950 29.700 0.065 0.000 1.225 753 E HN -0.119 nan 8.360 nan 0.000 0.417 754 S N 1.204 116.947 115.700 0.073 0.000 2.634 754 S HA 0.776 5.246 4.470 -0.001 0.000 0.296 754 S C -1.255 173.374 174.600 0.049 0.000 1.104 754 S CA -0.676 57.563 58.200 0.066 0.000 0.920 754 S CB 1.794 65.034 63.200 0.066 0.000 1.111 754 S HN 0.626 nan 8.310 nan 0.000 0.493 755 S N -0.189 115.518 115.700 0.012 0.000 2.565 755 S HA 0.748 5.218 4.470 -0.001 0.000 0.269 755 S C -1.690 172.827 174.600 -0.139 0.000 1.153 755 S CA -0.750 57.432 58.200 -0.031 0.000 0.835 755 S CB 1.083 64.287 63.200 0.005 0.000 1.122 755 S HN 0.457 nan 8.310 nan 0.000 0.462 756 V N 1.817 121.588 119.914 -0.238 0.000 2.444 756 V HA 0.726 4.845 4.120 -0.001 0.000 0.294 756 V C -0.492 175.478 176.094 -0.207 0.000 1.022 756 V CA -0.398 61.690 62.300 -0.354 0.000 0.850 756 V CB 1.550 32.842 31.823 -0.885 0.000 0.992 756 V HN 0.985 nan 8.190 nan 0.000 0.426 757 S N 3.241 118.877 115.700 -0.106 0.000 2.500 757 S HA 0.794 5.263 4.470 -0.001 0.000 0.301 757 S C -0.821 173.741 174.600 -0.063 0.000 1.092 757 S CA -0.621 57.536 58.200 -0.072 0.000 1.030 757 S CB 2.135 65.404 63.200 0.116 0.000 1.031 757 S HN 0.661 nan 8.310 nan 0.000 0.483 758 V N 2.057 121.808 119.914 -0.272 0.000 2.760 758 V HA 0.808 4.928 4.120 -0.001 0.000 0.309 758 V C -0.075 175.663 176.094 -0.593 0.000 1.077 758 V CA -0.436 61.712 62.300 -0.253 0.000 0.910 758 V CB 1.845 33.646 31.823 -0.036 0.000 1.008 758 V HN 0.990 nan 8.190 nan 0.000 0.424 759 G N 6.959 115.420 108.800 -0.564 0.000 2.663 759 G HA2 0.524 4.484 3.960 -0.001 0.000 0.320 759 G HA3 0.524 4.484 3.960 -0.001 0.000 0.320 759 G C -0.495 174.286 174.900 -0.198 0.000 0.937 759 G CA -0.344 44.478 45.100 -0.464 0.000 1.332 759 G HN 0.707 nan 8.290 nan 0.000 0.461 760 L N 2.541 123.606 121.223 -0.263 0.000 2.416 760 L HA 0.381 4.721 4.340 -0.001 0.000 0.262 760 L C -2.005 174.740 176.870 -0.208 0.000 1.093 760 L CA -2.322 52.386 54.840 -0.220 0.000 0.801 760 L CB 1.465 43.324 42.059 -0.333 0.000 1.191 760 L HN 0.188 nan 8.230 nan 0.000 0.459 761 P HA 0.054 nan 4.420 nan 0.000 0.261 761 P C 0.068 177.259 177.300 -0.182 0.000 1.203 761 P CA 0.486 63.496 63.100 -0.148 0.000 0.767 761 P CB 0.868 32.509 31.700 -0.099 0.000 0.785 762 S N -0.077 115.519 115.700 -0.173 0.000 2.691 762 S HA -0.109 4.360 4.470 -0.001 0.000 0.262 762 S C 0.210 174.691 174.600 -0.199 0.000 1.284 762 S CA 1.205 59.314 58.200 -0.153 0.000 1.372 762 S CB -1.486 61.651 63.200 -0.105 0.000 1.693 762 S HN 0.391 nan 8.310 nan 0.000 0.647 763 V N 1.368 121.107 119.914 -0.292 0.000 2.612 763 V HA 0.458 4.578 4.120 -0.001 0.000 0.301 763 V C -0.199 175.666 176.094 -0.381 0.000 1.059 763 V CA -0.807 61.280 62.300 -0.354 0.000 0.886 763 V CB 2.104 33.561 31.823 -0.610 0.000 1.007 763 V HN 0.102 nan 8.190 nan 0.000 0.426 764 V N 4.098 123.799 119.914 -0.355 0.000 2.353 764 V HA 0.295 4.414 4.120 -0.001 0.000 0.264 764 V C -0.116 175.776 176.094 -0.337 0.000 1.049 764 V CA -0.305 61.688 62.300 -0.513 0.000 0.896 764 V CB 0.555 31.964 31.823 -0.689 0.000 1.025 764 V HN 0.928 nan 8.190 nan 0.000 0.475 765 H N 4.477 123.298 119.070 -0.415 0.000 2.488 765 H HA 0.589 5.145 4.556 -0.001 0.000 0.322 765 H C -0.381 174.839 175.328 -0.180 0.000 1.078 765 H CA -0.140 55.767 56.048 -0.236 0.000 1.260 765 H CB 1.136 30.788 29.762 -0.183 0.000 1.425 765 H HN 0.687 nan 8.280 nan 0.000 0.471 766 Q N 3.802 123.301 119.800 -0.501 0.000 2.347 766 Q HA 0.399 4.738 4.340 -0.001 0.000 0.271 766 Q C -1.345 174.447 176.000 -0.347 0.000 1.064 766 Q CA -0.926 54.669 55.803 -0.347 0.000 0.800 766 Q CB 1.698 30.342 28.738 -0.157 0.000 1.304 766 Q HN 0.754 nan 8.270 nan 0.000 0.438 767 T N 4.633 119.069 114.554 -0.196 0.000 2.786 767 T HA 0.548 4.897 4.350 -0.001 0.000 0.283 767 T C -0.432 174.296 174.700 0.047 0.000 0.992 767 T CA -0.340 61.764 62.100 0.005 0.000 0.954 767 T CB 0.329 69.364 68.868 0.277 0.000 0.934 767 T HN 0.451 nan 8.240 nan 0.000 0.440 768 I N 3.636 124.247 120.570 0.068 0.000 2.433 768 I HA 0.508 4.678 4.170 -0.001 0.000 0.292 768 I C -0.267 175.905 176.117 0.091 0.000 1.001 768 I CA -0.799 60.541 61.300 0.066 0.000 1.119 768 I CB 1.767 39.795 38.000 0.047 0.000 1.289 768 I HN 0.386 nan 8.210 nan 0.000 0.438 769 M N 5.834 125.488 119.600 0.089 0.000 2.253 769 M HA 0.490 4.969 4.480 -0.001 0.000 0.314 769 M C 0.120 176.463 176.300 0.070 0.000 1.019 769 M CA -0.384 54.971 55.300 0.092 0.000 0.932 769 M CB 2.279 34.949 32.600 0.116 0.000 1.606 769 M HN 0.488 nan 8.290 nan 0.000 0.430 770 R N 1.090 121.625 120.500 0.059 0.000 2.565 770 R HA 0.369 4.708 4.340 -0.001 0.000 0.347 770 R C 0.824 177.151 176.300 0.045 0.000 1.010 770 R CA 0.236 56.365 56.100 0.048 0.000 1.126 770 R CB 1.049 31.370 30.300 0.035 0.000 1.331 770 R HN 1.145 nan 8.270 nan 0.000 0.552 771 G N -0.394 108.435 108.800 0.048 0.000 2.229 771 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.189 771 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.189 771 G C 0.269 175.189 174.900 0.033 0.000 1.000 771 G CA -0.409 44.716 45.100 0.041 0.000 0.663 771 G HN 0.524 nan 8.290 nan 0.000 0.493 772 G N -0.103 108.717 108.800 0.033 0.000 3.247 772 G HA2 0.785 4.745 3.960 -0.001 0.000 0.199 772 G HA3 0.785 4.745 3.960 -0.001 0.000 0.199 772 G C 0.417 175.336 174.900 0.031 0.000 1.172 772 G CA 0.481 45.596 45.100 0.025 0.000 0.844 772 G HN 1.546 nan 8.290 nan 0.000 0.619 773 A N 1.569 124.405 122.820 0.026 0.000 2.546 773 A HA 0.508 4.828 4.320 -0.001 0.000 0.243 773 A C -1.763 175.856 177.584 0.059 0.000 1.063 773 A CA -0.389 51.669 52.037 0.035 0.000 0.757 773 A CB -0.515 18.502 19.000 0.029 0.000 0.991 773 A HN 0.367 nan 8.150 nan 0.000 0.503 774 P HA 0.134 nan 4.420 nan 0.000 0.270 774 P C -0.420 176.948 177.300 0.114 0.000 1.223 774 P CA -0.131 63.033 63.100 0.106 0.000 0.785 774 P CB 0.599 32.385 31.700 0.143 0.000 0.923 775 E N 1.190 121.455 120.200 0.109 0.000 2.179 775 E HA 0.401 4.751 4.350 -0.001 0.000 0.275 775 E C -0.806 175.866 176.600 0.120 0.000 0.945 775 E CA -0.715 55.752 56.400 0.111 0.000 0.792 775 E CB 0.594 30.335 29.700 0.070 0.000 1.125 775 E HN 0.209 nan 8.360 nan 0.000 0.397 776 I N 4.132 124.804 120.570 0.171 0.000 2.404 776 I HA 0.425 4.594 4.170 -0.001 0.000 0.293 776 I C -0.049 176.182 176.117 0.190 0.000 0.992 776 I CA -0.612 60.769 61.300 0.135 0.000 1.149 776 I CB 1.256 39.334 38.000 0.131 0.000 1.315 776 I HN 0.567 nan 8.210 nan 0.000 0.446 777 R N 4.632 125.174 120.500 0.070 0.000 2.561 777 R HA 0.497 4.837 4.340 -0.001 0.000 0.297 777 R C -0.949 175.403 176.300 0.086 0.000 0.969 777 R CA -0.864 55.295 56.100 0.098 0.000 0.879 777 R CB 2.105 32.421 30.300 0.027 0.000 1.178 777 R HN 0.469 nan 8.270 nan 0.000 0.445 778 N N 2.619 121.431 118.700 0.187 0.000 2.443 778 N HA 0.189 4.928 4.740 -0.001 0.000 0.269 778 N C -1.256 174.272 175.510 0.028 0.000 0.985 778 N CA -0.693 52.446 53.050 0.149 0.000 0.921 778 N CB 1.846 40.525 38.487 0.320 0.000 1.195 778 N HN 0.313 nan 8.380 nan 0.000 0.492 779 L N 3.751 124.932 121.223 -0.070 0.000 2.282 779 L HA 0.351 4.690 4.340 -0.001 0.000 0.287 779 L C -0.962 175.837 176.870 -0.119 0.000 1.075 779 L CA -0.449 54.328 54.840 -0.106 0.000 0.839 779 L CB 0.378 42.362 42.059 -0.124 0.000 1.219 779 L HN 0.213 nan 8.230 nan 0.000 0.434 780 V N 4.517 124.363 119.914 -0.112 0.000 2.350 780 V HA 0.380 4.499 4.120 -0.001 0.000 0.276 780 V C -0.422 175.629 176.094 -0.072 0.000 1.028 780 V CA -0.513 61.736 62.300 -0.085 0.000 0.860 780 V CB 1.296 33.094 31.823 -0.041 0.000 0.990 780 V HN 0.668 nan 8.190 nan 0.000 0.453 781 D N 4.056 124.414 120.400 -0.069 0.000 2.375 781 D HA 0.259 4.899 4.640 -0.001 0.000 0.259 781 D C 0.490 176.765 176.300 -0.041 0.000 1.235 781 D CA -0.390 53.580 54.000 -0.050 0.000 0.924 781 D CB 1.307 42.074 40.800 -0.056 0.000 1.143 781 D HN 0.472 nan 8.370 nan 0.000 0.529 782 I N 2.192 122.754 120.570 -0.013 0.000 3.176 782 I HA 0.087 4.256 4.170 -0.001 0.000 0.275 782 I C 1.343 177.458 176.117 -0.004 0.000 1.298 782 I CA 1.037 62.336 61.300 -0.002 0.000 1.445 782 I CB -0.252 37.766 38.000 0.030 0.000 1.075 782 I HN 0.606 nan 8.210 nan 0.000 0.482 783 G N 0.968 109.764 108.800 -0.007 0.000 2.583 783 G HA2 -0.415 3.545 3.960 -0.001 0.000 0.292 783 G HA3 -0.415 3.545 3.960 -0.001 0.000 0.292 783 G C 0.500 175.404 174.900 0.008 0.000 1.203 783 G CA 0.417 45.514 45.100 -0.005 0.000 0.987 783 G HN 0.706 nan 8.290 nan 0.000 0.554 784 S N -0.183 115.522 115.700 0.008 0.000 2.562 784 S HA 0.571 5.041 4.470 -0.001 0.000 0.246 784 S C 0.623 175.232 174.600 0.016 0.000 1.056 784 S CA -0.041 58.168 58.200 0.015 0.000 1.042 784 S CB 0.079 63.290 63.200 0.018 0.000 0.822 784 S HN 0.707 nan 8.310 nan 0.000 0.465 785 L N 2.858 124.089 121.223 0.014 0.000 2.448 785 L HA 0.288 4.627 4.340 -0.001 0.000 0.278 785 L C -0.292 176.596 176.870 0.029 0.000 1.201 785 L CA -0.317 54.534 54.840 0.019 0.000 1.036 785 L CB -0.522 41.547 42.059 0.017 0.000 1.325 785 L HN 0.176 nan 8.230 nan 0.000 0.441 786 D N 2.745 123.161 120.400 0.027 0.000 2.382 786 D HA 0.007 4.647 4.640 -0.001 0.000 0.240 786 D C 0.671 176.994 176.300 0.038 0.000 1.146 786 D CA 0.201 54.220 54.000 0.031 0.000 0.897 786 D CB 0.389 41.204 40.800 0.025 0.000 1.197 786 D HN 0.301 nan 8.370 nan 0.000 0.432 787 N N 0.519 119.245 118.700 0.044 0.000 2.714 787 N HA -0.174 4.565 4.740 -0.001 0.000 0.253 787 N C -1.005 174.548 175.510 0.071 0.000 1.024 787 N CA 0.844 53.926 53.050 0.053 0.000 0.726 787 N CB -1.058 37.453 38.487 0.040 0.000 0.908 787 N HN 0.284 nan 8.380 nan 0.000 0.542 788 T N 0.464 115.065 114.554 0.078 0.000 2.916 788 T HA 0.394 4.743 4.350 -0.001 0.000 0.298 788 T C -0.315 174.451 174.700 0.111 0.000 1.031 788 T CA -0.732 61.425 62.100 0.095 0.000 0.993 788 T CB 2.229 71.139 68.868 0.070 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.634 122.928 120.200 0.157 0.000 2.191 789 E HA 0.447 4.797 4.350 -0.001 0.000 0.263 789 E C -0.717 176.000 176.600 0.195 0.000 0.881 789 E CA -0.638 55.854 56.400 0.154 0.000 0.757 789 E CB 2.213 31.982 29.700 0.114 0.000 1.147 789 E HN 0.496 nan 8.360 nan 0.000 0.414 790 I N 2.866 123.534 120.570 0.163 0.000 2.315 790 I HA 0.218 4.387 4.170 -0.001 0.000 0.291 790 I C -0.221 176.029 176.117 0.221 0.000 1.006 790 I CA -0.790 60.619 61.300 0.181 0.000 1.265 790 I CB 1.367 39.462 38.000 0.157 0.000 1.387 790 I HN 0.205 nan 8.210 nan 0.000 0.475 791 V N 8.086 128.132 119.914 0.219 0.000 2.628 791 V HA 0.477 4.597 4.120 -0.001 0.000 0.306 791 V C -0.366 175.761 176.094 0.054 0.000 1.045 791 V CA -0.726 61.688 62.300 0.190 0.000 0.905 791 V CB 1.990 33.982 31.823 0.282 0.000 0.997 791 V HN 0.747 nan 8.190 nan 0.000 0.436 792 M N 7.358 126.912 119.600 -0.078 0.000 2.088 792 M HA 0.547 5.026 4.480 -0.001 0.000 0.346 792 M C -0.497 175.654 176.300 -0.248 0.000 1.111 792 M CA -0.378 54.655 55.300 -0.445 0.000 1.017 792 M CB 0.475 32.769 32.600 -0.511 0.000 1.568 792 M HN 0.739 nan 8.290 nan 0.000 0.445 793 R N 4.684 125.025 120.500 -0.264 0.000 2.637 793 R HA 0.692 5.031 4.340 -0.001 0.000 0.291 793 R C -1.907 174.296 176.300 -0.161 0.000 0.963 793 R CA -0.634 55.375 56.100 -0.151 0.000 0.901 793 R CB 1.471 31.700 30.300 -0.118 0.000 1.160 793 R HN 0.800 nan 8.270 nan 0.000 0.457 794 L N 3.319 124.430 121.223 -0.187 0.000 2.296 794 L HA 0.414 4.754 4.340 -0.001 0.000 0.286 794 L C -0.493 176.265 176.870 -0.185 0.000 1.023 794 L CA -0.400 54.260 54.840 -0.300 0.000 0.812 794 L CB 1.897 43.732 42.059 -0.374 0.000 1.223 794 L HN 0.604 nan 8.230 nan 0.000 0.421 795 E N 2.254 122.362 120.200 -0.154 0.000 2.145 795 E HA 0.462 4.811 4.350 -0.001 0.000 0.270 795 E C -0.569 175.984 176.600 -0.079 0.000 0.906 795 E CA -0.469 55.897 56.400 -0.056 0.000 0.761 795 E CB 2.077 31.796 29.700 0.032 0.000 1.116 795 E HN 0.616 nan 8.360 nan 0.000 0.408 796 T N -0.822 113.701 114.554 -0.051 0.000 2.831 796 T HA 0.333 4.683 4.350 -0.001 0.000 0.287 796 T C 0.061 174.803 174.700 0.070 0.000 1.070 796 T CA -0.794 61.246 62.100 -0.100 0.000 1.010 796 T CB 1.134 69.951 68.868 -0.084 0.000 1.264 796 T HN 0.416 nan 8.240 nan 0.000 0.532 797 H N -0.041 119.017 119.070 -0.019 0.000 2.469 797 H HA 0.464 5.020 4.556 -0.001 0.000 0.286 797 H C 0.097 175.423 175.328 -0.004 0.000 1.106 797 H CA -1.050 54.993 56.048 -0.010 0.000 1.055 797 H CB -0.743 29.014 29.762 -0.009 0.000 1.618 797 H HN 0.470 nan 8.280 nan 0.000 0.559 798 I N 1.522 122.145 120.570 0.088 0.000 2.668 798 I HA -0.117 4.052 4.170 -0.001 0.000 0.285 798 I C 0.815 176.972 176.117 0.067 0.000 1.168 798 I CA 0.303 61.640 61.300 0.062 0.000 1.424 798 I CB 0.505 38.532 38.000 0.045 0.000 1.377 798 I HN 0.019 nan 8.210 nan 0.000 0.560 799 D N 4.860 125.296 120.400 0.060 0.000 2.713 799 D HA 0.023 4.662 4.640 -0.001 0.000 0.229 799 D C 1.265 177.602 176.300 0.063 0.000 1.136 799 D CA -0.020 54.012 54.000 0.053 0.000 1.010 799 D CB 0.333 41.158 40.800 0.042 0.000 1.084 799 D HN 0.561 nan 8.370 nan 0.000 0.495 800 S N 0.170 115.914 115.700 0.073 0.000 2.496 800 S HA 0.229 4.698 4.470 -0.001 0.000 0.224 800 S C 1.594 176.243 174.600 0.082 0.000 0.996 800 S CA 0.309 58.566 58.200 0.094 0.000 0.927 800 S CB -0.133 63.135 63.200 0.114 0.000 0.774 800 S HN 0.524 nan 8.310 nan 0.000 0.524 801 G N 3.179 112.017 108.800 0.063 0.000 2.574 801 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.301 801 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.301 801 G C 0.175 175.115 174.900 0.066 0.000 1.166 801 G CA 0.586 45.719 45.100 0.055 0.000 0.971 801 G HN 0.758 nan 8.290 nan 0.000 0.542 802 D N 0.136 120.579 120.400 0.072 0.000 2.431 802 D HA 0.343 4.982 4.640 -0.001 0.000 0.213 802 D C 0.728 177.109 176.300 0.134 0.000 1.130 802 D CA -0.197 53.862 54.000 0.099 0.000 0.834 802 D CB 0.298 41.143 40.800 0.075 0.000 0.985 802 D HN 0.456 nan 8.370 nan 0.000 0.504 803 I N 1.520 122.153 120.570 0.104 0.000 2.437 803 I HA 0.489 4.659 4.170 -0.001 0.000 0.298 803 I C -0.239 175.957 176.117 0.132 0.000 0.984 803 I CA -1.080 60.227 61.300 0.011 0.000 1.214 803 I CB 0.629 38.601 38.000 -0.047 0.000 1.365 803 I HN -0.032 nan 8.210 nan 0.000 0.469 804 F N 4.518 124.292 119.950 -0.294 0.000 2.711 804 F HA 0.694 5.220 4.527 -0.001 0.000 0.313 804 F C -2.053 173.404 175.800 -0.572 0.000 1.141 804 F CA -1.442 56.406 58.000 -0.254 0.000 0.941 804 F CB 1.205 40.128 39.000 -0.129 0.000 1.349 804 F HN 0.189 nan 8.300 nan 0.000 0.464 805 Y N 0.095 120.176 120.300 -0.364 0.000 2.425 805 Y HA 0.669 5.219 4.550 -0.001 0.000 0.344 805 Y C 0.042 175.779 175.900 -0.272 0.000 0.969 805 Y CA -0.695 57.056 58.100 -0.582 0.000 1.052 805 Y CB 2.412 40.105 38.460 -1.279 0.000 1.215 805 Y HN 0.902 nan 8.280 nan 0.000 0.451 806 T N -1.303 113.190 114.554 -0.102 0.000 2.906 806 T HA 0.496 4.846 4.350 -0.001 0.000 0.295 806 T C -1.019 173.515 174.700 -0.277 0.000 1.075 806 T CA -1.060 60.998 62.100 -0.071 0.000 1.005 806 T CB 2.017 70.815 68.868 -0.117 0.000 1.136 806 T HN 0.580 nan 8.240 nan 0.000 0.498 807 D N 1.067 121.151 120.400 -0.526 0.000 2.340 807 D HA 0.371 5.010 4.640 -0.001 0.000 0.251 807 D C -0.604 175.437 176.300 -0.432 0.000 1.080 807 D CA -0.822 52.683 54.000 -0.826 0.000 0.971 807 D CB 1.254 41.327 40.800 -1.212 0.000 1.137 807 D HN 0.559 nan 8.370 nan 0.000 0.475 808 L N 0.876 121.884 121.223 -0.358 0.000 2.316 808 L HA 0.226 4.565 4.340 -0.001 0.000 0.280 808 L C -0.153 176.593 176.870 -0.206 0.000 1.006 808 L CA -0.781 53.938 54.840 -0.202 0.000 0.836 808 L CB 0.429 42.432 42.059 -0.094 0.000 1.221 808 L HN 0.453 nan 8.230 nan 0.000 0.418 809 N N 2.075 120.659 118.700 -0.192 0.000 2.714 809 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 809 N C 0.996 176.288 175.510 -0.362 0.000 1.117 809 N CA 0.897 53.829 53.050 -0.196 0.000 0.719 809 N CB -1.040 37.406 38.487 -0.068 0.000 1.081 809 N HN 1.077 nan 8.380 nan 0.000 0.557 810 G N -1.555 107.036 108.800 -0.349 0.000 2.166 810 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 810 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 810 G C 0.636 175.504 174.900 -0.054 0.000 0.986 810 G CA 0.716 45.639 45.100 -0.295 0.000 0.683 810 G HN 0.484 nan 8.290 nan 0.000 0.527 811 L N -0.369 120.764 121.223 -0.150 0.000 2.467 811 L HA 0.494 4.834 4.340 -0.001 0.000 0.213 811 L C 0.991 177.744 176.870 -0.195 0.000 1.053 811 L CA 1.921 56.587 54.840 -0.291 0.000 0.847 811 L CB 0.156 41.882 42.059 -0.556 0.000 1.075 811 L HN 0.704 nan 8.230 nan 0.000 0.479 812 Q N -1.777 117.914 119.800 -0.182 0.000 2.482 812 Q HA 0.347 4.686 4.340 -0.001 0.000 0.286 812 Q C -1.692 174.193 176.000 -0.192 0.000 1.007 812 Q CA -0.742 55.018 55.803 -0.072 0.000 0.801 812 Q CB 1.075 29.835 28.738 0.037 0.000 1.455 812 Q HN -0.043 nan 8.270 nan 0.000 0.398 813 F N 1.370 121.282 119.950 -0.064 0.000 2.427 813 F HA 0.582 5.108 4.527 -0.001 0.000 0.346 813 F C -0.133 175.629 175.800 -0.063 0.000 1.120 813 F CA -0.809 57.160 58.000 -0.052 0.000 1.033 813 F CB 1.583 40.593 39.000 0.017 0.000 1.126 813 F HN 0.519 nan 8.300 nan 0.000 0.462 814 I N 3.830 124.405 120.570 0.008 0.000 2.441 814 I HA 0.324 4.494 4.170 -0.001 0.000 0.295 814 I C -0.401 175.584 176.117 -0.220 0.000 0.994 814 I CA -0.907 60.346 61.300 -0.078 0.000 1.144 814 I CB 1.244 39.152 38.000 -0.153 0.000 1.314 814 I HN 0.504 nan 8.210 nan 0.000 0.445 815 K N 6.690 126.920 120.400 -0.283 0.000 2.412 815 K HA 0.226 4.546 4.320 -0.001 0.000 0.281 815 K C -0.821 175.346 176.600 -0.721 0.000 1.027 815 K CA -0.308 55.542 56.287 -0.727 0.000 0.989 815 K CB 0.486 32.693 32.500 -0.487 0.000 0.935 815 K HN 0.487 nan 8.250 nan 0.000 0.475 816 R N 3.290 123.181 120.500 -1.015 0.000 2.664 816 R HA 0.351 4.690 4.340 -0.001 0.000 0.286 816 R C -0.502 175.324 176.300 -0.789 0.000 0.967 816 R CA -0.779 54.660 56.100 -1.103 0.000 0.933 816 R CB 1.538 30.650 30.300 -1.979 0.000 1.146 816 R HN 0.658 nan 8.270 nan 0.000 0.468 817 R N 1.521 121.765 120.500 -0.428 0.000 2.439 817 R HA 0.287 4.627 4.340 -0.001 0.000 0.310 817 R C -0.453 175.893 176.300 0.076 0.000 0.955 817 R CA -0.670 55.351 56.100 -0.131 0.000 0.853 817 R CB 1.517 31.773 30.300 -0.073 0.000 1.171 817 R HN 0.532 nan 8.270 nan 0.000 0.449 818 R N 4.989 125.635 120.500 0.243 0.000 2.522 818 R HA 0.114 4.454 4.340 -0.001 0.000 0.284 818 R C -0.978 175.406 176.300 0.140 0.000 1.032 818 R CA 0.213 56.482 56.100 0.283 0.000 1.049 818 R CB 0.386 30.836 30.300 0.251 0.000 0.956 818 R HN 0.539 nan 8.270 nan 0.000 0.422 819 L N 5.067 126.352 121.223 0.104 0.000 2.316 819 L HA 0.222 4.562 4.340 -0.001 0.000 0.280 819 L C 0.189 177.055 176.870 -0.007 0.000 1.006 819 L CA -0.698 54.161 54.840 0.032 0.000 0.836 819 L CB 1.934 43.986 42.059 -0.012 0.000 1.221 819 L HN 0.645 nan 8.230 nan 0.000 0.418 820 D N 1.579 121.982 120.400 0.004 0.000 2.348 820 D HA -0.123 4.517 4.640 -0.001 0.000 0.216 820 D C 1.757 178.042 176.300 -0.025 0.000 0.970 820 D CA 0.849 54.846 54.000 -0.005 0.000 0.889 820 D CB 0.346 41.152 40.800 0.009 0.000 0.912 820 D HN 0.556 nan 8.370 nan 0.000 0.524 821 K N 0.234 120.612 120.400 -0.038 0.000 2.432 821 K HA 0.001 4.321 4.320 -0.001 0.000 0.196 821 K C 0.651 177.193 176.600 -0.097 0.000 1.038 821 K CA 0.373 56.634 56.287 -0.044 0.000 0.986 821 K CB 0.263 32.752 32.500 -0.019 0.000 0.782 821 K HN 0.107 nan 8.250 nan 0.000 0.485 822 L N 2.335 123.462 121.223 -0.160 0.000 2.334 822 L HA 0.462 4.802 4.340 -0.001 0.000 0.272 822 L C -2.208 174.560 176.870 -0.171 0.000 1.020 822 L CA -2.892 51.812 54.840 -0.227 0.000 0.812 822 L CB 1.327 43.152 42.059 -0.390 0.000 1.264 822 L HN -0.037 nan 8.230 nan 0.000 0.439 823 P HA 0.046 nan 4.420 nan 0.000 0.274 823 P C 0.859 178.039 177.300 -0.200 0.000 1.256 823 P CA -0.453 62.556 63.100 -0.153 0.000 0.795 823 P CB 1.316 32.951 31.700 -0.110 0.000 1.038 824 L N 0.839 121.973 121.223 -0.148 0.000 1.997 824 L HA -0.287 4.053 4.340 -0.001 0.000 0.216 824 L C 2.515 179.302 176.870 -0.138 0.000 1.074 824 L CA 2.027 56.803 54.840 -0.106 0.000 0.763 824 L CB -0.675 41.322 42.059 -0.104 0.000 0.890 824 L HN 0.431 nan 8.230 nan 0.000 0.434 825 Q N -0.291 119.321 119.800 -0.313 0.000 2.291 825 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 825 Q C 1.898 177.805 176.000 -0.155 0.000 0.976 825 Q CA 1.485 57.137 55.803 -0.253 0.000 0.875 825 Q CB -0.563 27.952 28.738 -0.372 0.000 0.927 825 Q HN 0.619 nan 8.270 nan 0.000 0.450 826 A N 1.606 124.129 122.820 -0.496 0.000 2.066 826 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 826 A C 1.667 179.082 177.584 -0.282 0.000 1.157 826 A CA 0.896 52.498 52.037 -0.726 0.000 0.670 826 A CB -0.220 18.014 19.000 -1.278 0.000 0.804 826 A HN 0.353 nan 8.150 nan 0.000 0.453 827 N N -1.215 117.429 118.700 -0.093 0.000 2.336 827 N HA 0.058 4.798 4.740 -0.001 0.000 0.189 827 N C -0.878 174.730 175.510 0.163 0.000 1.113 827 N CA 0.181 53.291 53.050 0.099 0.000 0.858 827 N CB 0.058 38.648 38.487 0.172 0.000 0.970 827 N HN 0.460 nan 8.380 nan 0.000 0.471 828 Y N 0.308 120.568 120.300 -0.066 0.000 2.304 828 Y HA 0.197 4.747 4.550 -0.001 0.000 0.328 828 Y C -0.183 175.656 175.900 -0.102 0.000 1.123 828 Y CA -0.110 58.026 58.100 0.060 0.000 1.218 828 Y CB 0.377 38.951 38.460 0.189 0.000 1.207 828 Y HN -0.062 nan 8.280 nan 0.000 0.495 829 Y N 3.475 123.917 120.300 0.237 0.000 2.605 829 Y HA 0.462 5.012 4.550 -0.001 0.000 0.343 829 Y C -2.283 173.318 175.900 -0.499 0.000 1.036 829 Y CA -2.953 55.129 58.100 -0.029 0.000 1.065 829 Y CB 1.431 39.872 38.460 -0.031 0.000 1.288 829 Y HN 0.444 nan 8.280 nan 0.000 0.481 830 P HA 0.128 nan 4.420 nan 0.000 0.271 830 P C -0.633 176.433 177.300 -0.391 0.000 1.216 830 P CA 0.230 62.766 63.100 -0.940 0.000 0.776 830 P CB 0.578 31.621 31.700 -1.095 0.000 0.881 831 I N 4.775 125.196 120.570 -0.248 0.000 2.692 831 I HA 0.171 4.340 4.170 -0.001 0.000 0.285 831 I C -1.734 174.316 176.117 -0.113 0.000 1.191 831 I CA -2.428 58.797 61.300 -0.126 0.000 1.128 831 I CB 0.759 38.740 38.000 -0.031 0.000 1.585 831 I HN 0.198 nan 8.210 nan 0.000 0.558 832 P HA -0.034 nan 4.420 nan 0.000 0.225 832 P C 1.022 178.289 177.300 -0.054 0.000 1.156 832 P CA 1.093 64.123 63.100 -0.118 0.000 0.787 832 P CB 0.615 32.216 31.700 -0.165 0.000 0.802 833 S N -3.399 112.274 115.700 -0.045 0.000 2.551 833 S HA 0.468 4.937 4.470 -0.001 0.000 0.276 833 S C 0.546 175.229 174.600 0.138 0.000 1.051 833 S CA 0.339 58.567 58.200 0.047 0.000 1.377 833 S CB 0.285 63.534 63.200 0.081 0.000 1.208 833 S HN 0.325 nan 8.310 nan 0.000 0.656 834 G N 1.522 110.412 108.800 0.149 0.000 2.368 834 G HA2 0.543 4.503 3.960 -0.001 0.000 0.293 834 G HA3 0.543 4.503 3.960 -0.001 0.000 0.293 834 G C -1.516 173.631 174.900 0.411 0.000 1.467 834 G CA -0.402 44.906 45.100 0.347 0.000 0.804 834 G HN 0.918 nan 8.290 nan 0.000 0.535 835 M N -0.681 119.182 119.600 0.438 0.000 2.520 835 M HA 0.889 5.369 4.480 -0.001 0.000 0.280 835 M C -1.719 174.820 176.300 0.398 0.000 1.232 835 M CA -1.017 54.502 55.300 0.365 0.000 0.892 835 M CB 2.521 35.247 32.600 0.210 0.000 1.728 835 M HN 1.208 nan 8.290 nan 0.000 0.475 836 F N 0.919 121.010 119.950 0.234 0.000 2.668 836 F HA 0.904 5.430 4.527 -0.001 0.000 0.309 836 F C -1.720 174.212 175.800 0.220 0.000 1.117 836 F CA -1.196 56.882 58.000 0.130 0.000 0.951 836 F CB 1.114 40.105 39.000 -0.014 0.000 1.323 836 F HN 0.786 nan 8.300 nan 0.000 0.451 837 I N -0.181 120.622 120.570 0.389 0.000 2.785 837 I HA 0.894 5.064 4.170 -0.001 0.000 0.302 837 I C -1.385 174.915 176.117 0.304 0.000 1.069 837 I CA -0.892 60.600 61.300 0.320 0.000 1.045 837 I CB 2.414 40.519 38.000 0.176 0.000 1.236 837 I HN 0.953 nan 8.210 nan 0.000 0.429 838 E N 1.968 122.329 120.200 0.269 0.000 2.407 838 E HA 0.520 4.869 4.350 -0.001 0.000 0.279 838 E C -2.071 174.610 176.600 0.136 0.000 1.012 838 E CA -0.835 55.668 56.400 0.171 0.000 0.800 838 E CB 2.223 32.016 29.700 0.153 0.000 1.276 838 E HN 0.746 nan 8.360 nan 0.000 0.452 839 D N 0.742 121.193 120.400 0.083 0.000 2.723 839 D HA 0.465 5.104 4.640 -0.001 0.000 0.247 839 D C 0.937 177.265 176.300 0.047 0.000 1.134 839 D CA -0.158 53.883 54.000 0.068 0.000 1.099 839 D CB 0.045 40.878 40.800 0.055 0.000 1.287 839 D HN 0.449 nan 8.370 nan 0.000 0.634 840 A N -0.683 122.158 122.820 0.035 0.000 1.978 840 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 840 A C 1.551 179.139 177.584 0.006 0.000 1.170 840 A CA 1.622 53.672 52.037 0.021 0.000 0.636 840 A CB -0.718 18.293 19.000 0.018 0.000 0.810 840 A HN 0.523 nan 8.150 nan 0.000 0.448 841 N N -1.861 116.842 118.700 0.004 0.000 2.397 841 N HA 0.077 4.816 4.740 -0.001 0.000 0.190 841 N C -0.430 175.068 175.510 -0.019 0.000 1.099 841 N CA 0.730 53.774 53.050 -0.009 0.000 0.876 841 N CB 0.668 39.151 38.487 -0.006 0.000 1.143 841 N HN 0.309 nan 8.380 nan 0.000 0.468 842 T N 0.545 115.093 114.554 -0.011 0.000 2.893 842 T HA 0.449 4.799 4.350 -0.001 0.000 0.293 842 T C -0.592 174.099 174.700 -0.015 0.000 1.027 842 T CA -0.649 61.438 62.100 -0.021 0.000 0.988 842 T CB 2.858 71.717 68.868 -0.014 0.000 1.043 842 T HN -0.048 nan 8.240 nan 0.000 0.461 843 R N 1.915 122.389 120.500 -0.044 0.000 2.686 843 R HA 0.730 5.069 4.340 -0.001 0.000 0.286 843 R C -1.939 174.335 176.300 -0.042 0.000 0.969 843 R CA -0.902 55.173 56.100 -0.042 0.000 0.898 843 R CB 1.292 31.506 30.300 -0.144 0.000 1.183 843 R HN 0.451 nan 8.270 nan 0.000 0.456 844 L N 2.677 123.904 121.223 0.006 0.000 2.349 844 L HA 0.486 4.825 4.340 -0.001 0.000 0.278 844 L C -1.298 175.608 176.870 0.059 0.000 0.996 844 L CA 0.073 54.912 54.840 -0.002 0.000 0.825 844 L CB 2.224 44.270 42.059 -0.022 0.000 1.243 844 L HN 0.637 nan 8.230 nan 0.000 0.412 845 T N 5.707 120.275 114.554 0.023 0.000 2.807 845 T HA 0.549 4.898 4.350 -0.001 0.000 0.279 845 T C -0.974 173.784 174.700 0.096 0.000 0.993 845 T CA -0.267 61.881 62.100 0.079 0.000 0.970 845 T CB 1.352 70.195 68.868 -0.042 0.000 0.950 845 T HN 0.432 nan 8.240 nan 0.000 0.441 846 L N 5.251 126.567 121.223 0.154 0.000 2.294 846 L HA 0.513 4.853 4.340 -0.001 0.000 0.283 846 L C -1.222 175.787 176.870 0.231 0.000 1.015 846 L CA -0.717 54.227 54.840 0.173 0.000 0.831 846 L CB 0.513 42.656 42.059 0.140 0.000 1.217 846 L HN 0.417 nan 8.230 nan 0.000 0.420 847 L N 4.202 125.562 121.223 0.229 0.000 2.325 847 L HA 0.618 4.957 4.340 -0.001 0.000 0.279 847 L C 0.297 177.307 176.870 0.234 0.000 1.054 847 L CA -0.173 54.800 54.840 0.221 0.000 0.804 847 L CB 1.354 43.510 42.059 0.162 0.000 1.200 847 L HN 0.598 nan 8.230 nan 0.000 0.436 848 T N 0.586 115.232 114.554 0.153 0.000 2.908 848 T HA 0.495 4.845 4.350 -0.001 0.000 0.290 848 T C 0.834 175.492 174.700 -0.069 0.000 1.034 848 T CA -0.350 61.758 62.100 0.015 0.000 1.010 848 T CB 1.951 70.841 68.868 0.037 0.000 1.068 848 T HN 0.772 nan 8.240 nan 0.000 0.481 849 G N 1.389 110.072 108.800 -0.195 0.000 3.284 849 G HA2 0.347 4.307 3.960 -0.001 0.000 0.236 849 G HA3 0.347 4.307 3.960 -0.001 0.000 0.236 849 G C 0.103 174.928 174.900 -0.124 0.000 1.158 849 G CA -0.282 44.732 45.100 -0.143 0.000 0.774 849 G HN 0.593 nan 8.290 nan 0.000 0.545 850 Q N -0.180 119.544 119.800 -0.126 0.000 2.479 850 Q HA 0.298 4.637 4.340 -0.001 0.000 0.276 850 Q C -3.543 172.415 176.000 -0.070 0.000 0.989 850 Q CA -2.302 53.452 55.803 -0.082 0.000 0.864 850 Q CB 1.930 30.633 28.738 -0.060 0.000 1.444 850 Q HN -0.005 nan 8.270 nan 0.000 0.388 851 P HA 0.450 nan 4.420 nan 0.000 0.281 851 P C -0.697 176.589 177.300 -0.024 0.000 1.252 851 P CA -0.143 62.937 63.100 -0.032 0.000 0.778 851 P CB 0.969 32.658 31.700 -0.018 0.000 0.895 852 L N 1.695 122.900 121.223 -0.030 0.000 2.403 852 L HA 0.674 5.013 4.340 -0.001 0.000 0.253 852 L C 0.747 177.634 176.870 0.028 0.000 1.045 852 L CA -1.123 53.722 54.840 0.008 0.000 0.845 852 L CB 2.124 44.174 42.059 -0.014 0.000 1.447 852 L HN 0.337 nan 8.230 nan 0.000 0.411 853 G N -0.921 107.952 108.800 0.120 0.000 2.425 853 G HA2 0.693 4.652 3.960 -0.001 0.000 0.302 853 G HA3 0.693 4.652 3.960 -0.001 0.000 0.302 853 G C -0.484 174.444 174.900 0.047 0.000 1.159 853 G CA 0.090 45.310 45.100 0.200 0.000 0.865 853 G HN 0.886 nan 8.290 nan 0.000 0.515 854 G N -1.476 107.166 108.800 -0.262 0.000 2.550 854 G HA2 0.664 4.623 3.960 -0.001 0.000 0.293 854 G HA3 0.664 4.623 3.960 -0.001 0.000 0.293 854 G C -1.218 173.236 174.900 -0.745 0.000 1.402 854 G CA 0.426 45.169 45.100 -0.595 0.000 0.784 854 G HN 1.271 nan 8.290 nan 0.000 0.482 855 S N -1.888 113.434 115.700 -0.631 0.000 2.661 855 S HA 0.721 5.190 4.470 -0.001 0.000 0.268 855 S C -1.515 172.634 174.600 -0.751 0.000 1.162 855 S CA 0.295 58.124 58.200 -0.618 0.000 0.817 855 S CB 1.380 64.287 63.200 -0.489 0.000 1.141 855 S HN 1.510 nan 8.310 nan 0.000 0.477 856 S N 1.745 116.701 115.700 -1.240 0.000 2.718 856 S HA 0.488 4.958 4.470 -0.001 0.000 0.294 856 S C 0.248 174.599 174.600 -0.414 0.000 1.157 856 S CA -0.644 57.108 58.200 -0.745 0.000 1.121 856 S CB -0.068 62.648 63.200 -0.808 0.000 1.015 856 S HN 0.578 nan 8.310 nan 0.000 0.479 857 L N 3.173 124.289 121.223 -0.177 0.000 2.558 857 L HA 0.475 4.814 4.340 -0.001 0.000 0.225 857 L C 0.877 177.738 176.870 -0.015 0.000 1.128 857 L CA 0.232 55.048 54.840 -0.041 0.000 0.868 857 L CB -0.010 42.082 42.059 0.055 0.000 1.006 857 L HN 0.689 nan 8.230 nan 0.000 0.454 858 A N -1.193 121.606 122.820 -0.034 0.000 2.594 858 A HA 0.461 4.780 4.320 -0.001 0.000 0.295 858 A C -0.445 177.135 177.584 -0.007 0.000 1.071 858 A CA -0.437 51.596 52.037 -0.006 0.000 0.685 858 A CB 1.241 20.244 19.000 0.005 0.000 1.285 858 A HN -0.140 nan 8.150 nan 0.000 0.405 859 S N -0.097 115.612 115.700 0.014 0.000 2.563 859 S HA 0.393 4.862 4.470 -0.001 0.000 0.294 859 S C 1.523 176.140 174.600 0.029 0.000 1.279 859 S CA 1.913 60.129 58.200 0.027 0.000 1.069 859 S CB -0.103 63.115 63.200 0.031 0.000 0.828 859 S HN 2.650 nan 8.310 nan 0.000 0.497 860 G N 3.445 112.266 108.800 0.035 0.000 2.179 860 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.260 860 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.260 860 G C -0.164 174.738 174.900 0.002 0.000 0.977 860 G CA 0.448 45.571 45.100 0.038 0.000 0.641 860 G HN 0.715 nan 8.290 nan 0.000 0.533 861 E N -0.397 119.788 120.200 -0.025 0.000 2.202 861 E HA 0.747 5.096 4.350 -0.001 0.000 0.272 861 E C -0.127 176.413 176.600 -0.101 0.000 0.951 861 E CA -0.702 55.661 56.400 -0.062 0.000 0.813 861 E CB 1.726 31.389 29.700 -0.061 0.000 1.151 861 E HN 0.257 nan 8.360 nan 0.000 0.398 862 L N 1.797 122.954 121.223 -0.110 0.000 2.370 862 L HA 0.495 4.834 4.340 -0.001 0.000 0.266 862 L C -0.485 176.313 176.870 -0.120 0.000 1.002 862 L CA -0.648 54.117 54.840 -0.126 0.000 0.818 862 L CB 1.930 43.944 42.059 -0.076 0.000 1.325 862 L HN 0.659 nan 8.230 nan 0.000 0.418 863 E N 2.628 122.750 120.200 -0.130 0.000 2.366 863 E HA 0.691 5.040 4.350 -0.001 0.000 0.278 863 E C -1.565 174.987 176.600 -0.080 0.000 0.923 863 E CA -0.834 55.521 56.400 -0.075 0.000 0.761 863 E CB 3.285 32.987 29.700 0.002 0.000 1.231 863 E HN 0.533 nan 8.360 nan 0.000 0.443 864 I N 2.238 122.799 120.570 -0.016 0.000 2.571 864 I HA 0.325 4.495 4.170 -0.001 0.000 0.289 864 I C -1.369 174.811 176.117 0.106 0.000 1.115 864 I CA -1.118 60.196 61.300 0.022 0.000 1.045 864 I CB 1.934 39.949 38.000 0.026 0.000 1.238 864 I HN 0.788 nan 8.210 nan 0.000 0.424 865 M N 6.337 126.038 119.600 0.168 0.000 2.228 865 M HA 0.211 4.691 4.480 -0.001 0.000 0.351 865 M C 0.584 176.984 176.300 0.166 0.000 1.233 865 M CA 0.644 56.049 55.300 0.176 0.000 1.129 865 M CB 0.902 33.581 32.600 0.131 0.000 1.604 865 M HN 0.580 nan 8.290 nan 0.000 0.457 866 Q N 1.471 121.402 119.800 0.218 0.000 2.287 866 Q HA 0.253 4.593 4.340 -0.001 0.000 0.201 866 Q C -0.233 175.973 176.000 0.344 0.000 0.946 866 Q CA 0.829 56.829 55.803 0.328 0.000 0.868 866 Q CB 0.366 29.325 28.738 0.368 0.000 0.967 866 Q HN 0.764 nan 8.270 nan 0.000 0.516 867 D N -0.907 119.626 120.400 0.222 0.000 2.671 867 D HA 0.301 4.941 4.640 -0.001 0.000 0.273 867 D C -1.423 174.947 176.300 0.116 0.000 1.264 867 D CA -0.494 53.613 54.000 0.179 0.000 0.788 867 D CB 1.493 42.388 40.800 0.158 0.000 1.324 867 D HN 0.038 nan 8.370 nan 0.000 0.424 868 R N 0.783 121.341 120.500 0.097 0.000 2.584 868 R HA 0.676 5.016 4.340 -0.001 0.000 0.276 868 R C -1.105 175.239 176.300 0.074 0.000 1.046 868 R CA -1.040 55.101 56.100 0.069 0.000 0.906 868 R CB 2.087 32.401 30.300 0.024 0.000 1.215 868 R HN 0.323 nan 8.270 nan 0.000 0.449 869 R N 3.740 124.281 120.500 0.068 0.000 2.451 869 R HA 0.483 4.823 4.340 -0.001 0.000 0.307 869 R C -1.495 174.839 176.300 0.057 0.000 0.965 869 R CA -0.591 55.546 56.100 0.062 0.000 0.865 869 R CB 1.331 31.664 30.300 0.055 0.000 1.174 869 R HN 0.716 nan 8.270 nan 0.000 0.455 870 L N 3.881 125.137 121.223 0.054 0.000 2.406 870 L HA 0.509 4.848 4.340 -0.001 0.000 0.272 870 L C 0.652 177.547 176.870 0.042 0.000 0.980 870 L CA -0.529 54.341 54.840 0.050 0.000 0.831 870 L CB 2.156 44.247 42.059 0.053 0.000 1.253 870 L HN 0.808 nan 8.230 nan 0.000 0.406 871 A N 1.563 124.403 122.820 0.034 0.000 2.072 871 A HA 0.175 4.495 4.320 -0.001 0.000 0.216 871 A C 0.938 178.536 177.584 0.024 0.000 1.156 871 A CA 0.566 52.619 52.037 0.027 0.000 0.701 871 A CB 0.052 19.064 19.000 0.020 0.000 0.816 871 A HN 0.600 nan 8.150 nan 0.000 0.458 872 S N 0.034 115.749 115.700 0.025 0.000 2.608 872 S HA 0.398 4.868 4.470 -0.001 0.000 0.291 872 S C -0.572 174.046 174.600 0.030 0.000 1.146 872 S CA -0.635 57.578 58.200 0.021 0.000 1.043 872 S CB 1.414 64.622 63.200 0.013 0.000 1.037 872 S HN 0.492 nan 8.310 nan 0.000 0.520 873 D N 0.449 120.867 120.400 0.029 0.000 2.341 873 D HA 0.189 4.829 4.640 -0.001 0.000 0.245 873 D C -0.139 176.177 176.300 0.026 0.000 1.106 873 D CA -0.312 53.713 54.000 0.040 0.000 0.905 873 D CB 0.643 41.465 40.800 0.037 0.000 1.202 873 D HN 0.503 nan 8.370 nan 0.000 0.426 874 D N 2.088 122.506 120.400 0.031 0.000 2.559 874 D HA 0.075 4.715 4.640 -0.001 0.000 0.234 874 D C -0.352 175.903 176.300 -0.075 0.000 1.226 874 D CA -0.288 53.698 54.000 -0.023 0.000 0.830 874 D CB -0.309 40.468 40.800 -0.038 0.000 1.028 874 D HN 0.645 nan 8.370 nan 0.000 0.492 875 E N -0.170 120.009 120.200 -0.035 0.000 2.868 875 E HA -0.205 4.144 4.350 -0.001 0.000 0.278 875 E C 0.230 176.780 176.600 -0.084 0.000 1.009 875 E CA 0.227 56.602 56.400 -0.041 0.000 0.856 875 E CB -0.741 28.934 29.700 -0.041 0.000 1.428 875 E HN 0.257 nan 8.360 nan 0.000 0.423 876 R N -0.566 119.848 120.500 -0.144 0.000 2.543 876 R HA 0.222 4.562 4.340 -0.001 0.000 0.323 876 R C 1.388 177.710 176.300 0.037 0.000 1.002 876 R CA 0.693 56.619 56.100 -0.290 0.000 1.106 876 R CB 1.079 30.730 30.300 -1.082 0.000 1.280 876 R HN 0.386 nan 8.270 nan 0.000 0.549 877 G N 0.771 109.689 108.800 0.196 0.000 2.201 877 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.212 877 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.212 877 G C 0.714 175.720 174.900 0.177 0.000 0.994 877 G CA 0.195 45.493 45.100 0.330 0.000 0.644 877 G HN 0.281 nan 8.290 nan 0.000 0.508 878 L N 1.510 122.932 121.223 0.332 0.000 2.109 878 L HA 0.469 4.809 4.340 -0.001 0.000 0.207 878 L C 2.151 179.021 176.870 -0.001 0.000 1.086 878 L CA 2.646 57.584 54.840 0.164 0.000 0.760 878 L CB -0.573 41.722 42.059 0.394 0.000 0.910 878 L HN 1.684 nan 8.230 nan 0.000 0.437 879 G N -0.206 108.618 108.800 0.040 0.000 2.221 879 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.265 879 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.265 879 G C 0.038 174.945 174.900 0.011 0.000 1.041 879 G CA 0.653 45.757 45.100 0.006 0.000 0.807 879 G HN 0.806 nan 8.290 nan 0.000 0.502 880 Q N -1.945 117.877 119.800 0.038 0.000 2.633 880 Q HA 0.668 5.007 4.340 -0.001 0.000 0.289 880 Q C 0.405 176.435 176.000 0.052 0.000 0.940 880 Q CA -0.659 55.166 55.803 0.036 0.000 0.785 880 Q CB 0.467 29.225 28.738 0.033 0.000 1.467 880 Q HN 0.991 nan 8.270 nan 0.000 0.401 881 G N 0.037 108.863 108.800 0.043 0.000 2.570 881 G HA2 0.434 4.393 3.960 -0.001 0.000 0.276 881 G HA3 0.434 4.393 3.960 -0.001 0.000 0.276 881 G C -0.756 174.177 174.900 0.055 0.000 1.346 881 G CA -0.610 44.518 45.100 0.047 0.000 1.034 881 G HN 0.396 nan 8.290 nan 0.000 0.512 882 V N 0.900 120.848 119.914 0.056 0.000 2.257 882 V HA 0.304 4.423 4.120 -0.001 0.000 0.269 882 V C 0.271 176.403 176.094 0.062 0.000 1.040 882 V CA -0.105 62.235 62.300 0.066 0.000 0.813 882 V CB 0.643 32.509 31.823 0.072 0.000 1.065 882 V HN 0.548 nan 8.190 nan 0.000 0.457 883 L N 3.272 124.531 121.223 0.059 0.000 3.229 883 L HA 0.332 4.671 4.340 -0.001 0.000 0.286 883 L C 0.538 177.438 176.870 0.050 0.000 1.239 883 L CA 0.030 54.899 54.840 0.049 0.000 1.035 883 L CB 0.667 42.749 42.059 0.038 0.000 1.408 883 L HN 0.656 nan 8.230 nan 0.000 0.593 884 D N -2.290 118.149 120.400 0.065 0.000 2.559 884 D HA 0.066 4.706 4.640 -0.001 0.000 0.234 884 D C 0.117 176.461 176.300 0.074 0.000 1.226 884 D CA -0.469 53.571 54.000 0.066 0.000 0.830 884 D CB -0.359 40.488 40.800 0.079 0.000 1.028 884 D HN 0.062 nan 8.370 nan 0.000 0.492 885 N N 1.649 120.389 118.700 0.068 0.000 2.395 885 N HA 0.126 4.865 4.740 -0.001 0.000 0.246 885 N C 0.178 175.702 175.510 0.023 0.000 1.246 885 N CA 0.286 53.377 53.050 0.067 0.000 0.879 885 N CB 0.685 39.208 38.487 0.061 0.000 1.098 885 N HN 0.323 nan 8.380 nan 0.000 0.444 886 K N -0.488 119.913 120.400 0.001 0.000 2.512 886 K HA 0.580 4.900 4.320 -0.001 0.000 0.263 886 K C -3.225 173.351 176.600 -0.041 0.000 0.966 886 K CA -2.035 54.209 56.287 -0.072 0.000 0.851 886 K CB 1.384 33.757 32.500 -0.213 0.000 1.395 886 K HN 0.131 nan 8.250 nan 0.000 0.440 887 P HA 0.007 nan 4.420 nan 0.000 0.265 887 P C -1.097 176.225 177.300 0.037 0.000 1.193 887 P CA -0.486 62.595 63.100 -0.032 0.000 0.765 887 P CB 0.818 32.487 31.700 -0.053 0.000 0.823 888 V N 4.860 124.761 119.914 -0.022 0.000 2.841 888 V HA 0.465 4.584 4.120 -0.001 0.000 0.310 888 V C -1.386 174.583 176.094 -0.208 0.000 1.090 888 V CA -1.062 61.202 62.300 -0.060 0.000 0.930 888 V CB 2.131 33.890 31.823 -0.106 0.000 1.014 888 V HN 0.274 nan 8.190 nan 0.000 0.425 889 L N 6.945 128.075 121.223 -0.155 0.000 2.272 889 L HA 0.594 4.934 4.340 -0.001 0.000 0.284 889 L C -0.358 176.495 176.870 -0.028 0.000 1.045 889 L CA 0.123 54.905 54.840 -0.096 0.000 0.842 889 L CB 0.298 42.322 42.059 -0.058 0.000 1.224 889 L HN 0.693 nan 8.230 nan 0.000 0.430 890 H N 5.531 124.613 119.070 0.020 0.000 2.525 890 H HA 0.487 5.042 4.556 -0.001 0.000 0.339 890 H C -0.088 175.131 175.328 -0.181 0.000 1.109 890 H CA -0.221 55.780 56.048 -0.079 0.000 1.352 890 H CB 1.304 31.086 29.762 0.033 0.000 1.461 890 H HN 0.684 nan 8.280 nan 0.000 0.533 891 I N 0.180 120.574 120.570 -0.295 0.000 2.689 891 I HA 0.600 4.770 4.170 -0.001 0.000 0.299 891 I C -1.456 174.304 176.117 -0.595 0.000 1.059 891 I CA -0.934 60.208 61.300 -0.263 0.000 1.055 891 I CB 2.097 40.036 38.000 -0.102 0.000 1.243 891 I HN 0.248 nan 8.210 nan 0.000 0.425 892 Y N 2.826 123.165 120.300 0.066 0.000 2.625 892 Y HA 0.692 5.241 4.550 -0.001 0.000 0.338 892 Y C -0.595 175.350 175.900 0.074 0.000 1.123 892 Y CA -1.073 57.073 58.100 0.076 0.000 1.046 892 Y CB 1.661 40.185 38.460 0.108 0.000 1.299 892 Y HN 0.426 nan 8.280 nan 0.000 0.464 893 R N 1.408 122.060 120.500 0.254 0.000 2.750 893 R HA 0.623 4.962 4.340 -0.001 0.000 0.281 893 R C -1.919 174.489 176.300 0.180 0.000 0.972 893 R CA -1.170 55.036 56.100 0.176 0.000 0.912 893 R CB 2.665 33.028 30.300 0.104 0.000 1.187 893 R HN 0.644 nan 8.270 nan 0.000 0.464 894 L N 2.177 123.488 121.223 0.146 0.000 2.343 894 L HA 0.448 4.787 4.340 -0.001 0.000 0.278 894 L C -1.228 175.671 176.870 0.049 0.000 0.996 894 L CA -0.578 54.326 54.840 0.107 0.000 0.831 894 L CB 1.884 44.022 42.059 0.132 0.000 1.232 894 L HN 0.317 nan 8.230 nan 0.000 0.413 895 V N 6.207 126.132 119.914 0.019 0.000 2.349 895 V HA 0.397 4.516 4.120 -0.001 0.000 0.284 895 V C -0.384 175.685 176.094 -0.042 0.000 1.014 895 V CA -0.590 61.701 62.300 -0.014 0.000 0.826 895 V CB 1.404 33.211 31.823 -0.027 0.000 1.009 895 V HN 0.632 nan 8.190 nan 0.000 0.431 896 L N 5.361 126.555 121.223 -0.047 0.000 2.275 896 L HA 0.667 5.006 4.340 -0.001 0.000 0.288 896 L C -0.101 176.730 176.870 -0.065 0.000 1.046 896 L CA 0.711 55.515 54.840 -0.061 0.000 0.805 896 L CB 0.936 42.957 42.059 -0.063 0.000 1.193 896 L HN 0.731 nan 8.230 nan 0.000 0.426 897 E N 3.836 123.990 120.200 -0.076 0.000 2.383 897 E HA 0.413 4.762 4.350 -0.001 0.000 0.275 897 E C -1.247 175.308 176.600 -0.076 0.000 0.918 897 E CA -1.180 55.171 56.400 -0.081 0.000 0.764 897 E CB 1.597 31.233 29.700 -0.107 0.000 1.252 897 E HN 0.273 nan 8.360 nan 0.000 0.449 898 K N 1.542 121.901 120.400 -0.068 0.000 2.297 898 K HA 0.176 4.496 4.320 -0.001 0.000 0.286 898 K C 0.433 176.991 176.600 -0.071 0.000 1.053 898 K CA -0.076 56.174 56.287 -0.060 0.000 0.940 898 K CB 1.287 33.757 32.500 -0.051 0.000 1.019 898 K HN 0.475 nan 8.250 nan 0.000 0.475 899 V N -0.350 119.523 119.914 -0.068 0.000 3.346 899 V HA 0.010 4.130 4.120 -0.001 0.000 0.309 899 V C 1.257 177.317 176.094 -0.057 0.000 1.457 899 V CA -0.244 62.009 62.300 -0.079 0.000 1.069 899 V CB -0.275 31.486 31.823 -0.104 0.000 0.944 899 V HN 0.614 nan 8.190 nan 0.000 0.449 900 N N 1.545 120.219 118.700 -0.042 0.000 2.289 900 N HA -0.195 4.545 4.740 -0.001 0.000 0.184 900 N C 1.042 176.531 175.510 -0.034 0.000 1.016 900 N CA 1.723 54.754 53.050 -0.030 0.000 0.872 900 N CB -0.536 37.938 38.487 -0.023 0.000 0.973 900 N HN 0.543 nan 8.380 nan 0.000 0.433 901 N N 0.055 118.730 118.700 -0.042 0.000 2.336 901 N HA 0.066 4.806 4.740 -0.001 0.000 0.189 901 N C -0.210 175.270 175.510 -0.051 0.000 1.113 901 N CA -0.087 52.938 53.050 -0.042 0.000 0.858 901 N CB 0.058 38.520 38.487 -0.042 0.000 0.970 901 N HN 0.220 nan 8.380 nan 0.000 0.471 902 c N 1.199 119.763 118.600 -0.060 0.000 2.601 902 c HA 0.244 4.814 4.570 -0.001 0.000 0.409 902 c C 1.057 175.110 174.090 -0.062 0.000 1.293 902 c CA -0.886 55.400 56.329 -0.072 0.000 2.101 902 c CB 0.828 43.281 42.510 -0.094 0.000 2.639 902 c HN 0.013 nan 8.230 nan 0.000 0.592 903 V N 5.429 125.303 119.914 -0.068 0.000 2.370 903 V HA 0.215 4.334 4.120 -0.001 0.000 0.257 903 V C 0.632 176.688 176.094 -0.063 0.000 1.064 903 V CA 0.337 62.601 62.300 -0.060 0.000 0.975 903 V CB -0.675 31.109 31.823 -0.066 0.000 1.067 903 V HN 0.786 nan 8.190 nan 0.000 0.485 904 R N 4.616 125.091 120.500 -0.042 0.000 2.758 904 R HA 0.546 4.886 4.340 -0.001 0.000 0.265 904 R C -2.430 173.861 176.300 -0.015 0.000 1.016 904 R CA -1.839 54.244 56.100 -0.028 0.000 1.040 904 R CB 1.052 31.340 30.300 -0.020 0.000 1.152 904 R HN 0.389 nan 8.270 nan 0.000 0.503 905 P HA -0.017 nan 4.420 nan 0.000 0.271 905 P C -0.499 176.836 177.300 0.057 0.000 1.233 905 P CA -0.248 62.834 63.100 -0.030 0.000 0.789 905 P CB 0.560 32.165 31.700 -0.158 0.000 0.951 906 S N 0.652 116.414 115.700 0.104 0.000 2.596 906 S HA 0.104 4.573 4.470 -0.001 0.000 0.260 906 S C 1.105 175.783 174.600 0.130 0.000 1.336 906 S CA -0.311 57.954 58.200 0.108 0.000 0.993 906 S CB 0.365 63.632 63.200 0.111 0.000 0.923 906 S HN 0.304 nan 8.310 nan 0.000 0.567 907 K N 0.044 120.503 120.400 0.099 0.000 2.281 907 K HA 0.011 4.330 4.320 -0.001 0.000 0.203 907 K C 1.465 178.122 176.600 0.095 0.000 1.046 907 K CA 1.054 57.398 56.287 0.094 0.000 0.938 907 K CB -0.534 32.005 32.500 0.066 0.000 0.737 907 K HN 0.577 nan 8.250 nan 0.000 0.458 908 L N -0.137 121.145 121.223 0.098 0.000 2.567 908 L HA 0.022 4.362 4.340 -0.001 0.000 0.225 908 L C 1.116 178.041 176.870 0.091 0.000 1.119 908 L CA -0.152 54.730 54.840 0.070 0.000 0.871 908 L CB -0.146 41.941 42.059 0.046 0.000 1.036 908 L HN 0.196 nan 8.230 nan 0.000 0.459 909 H N 2.278 121.386 119.070 0.063 0.000 2.722 909 H HA 0.096 4.651 4.556 -0.001 0.000 0.328 909 H C -1.717 173.653 175.328 0.070 0.000 1.067 909 H CA -1.426 54.672 56.048 0.083 0.000 1.447 909 H CB 1.818 31.656 29.762 0.127 0.000 1.469 909 H HN -0.083 nan 8.280 nan 0.000 0.544 910 P HA 0.138 nan 4.420 nan 0.000 0.249 910 P C -0.417 176.991 177.300 0.180 0.000 1.229 910 P CA 0.176 63.312 63.100 0.060 0.000 0.788 910 P CB 0.460 32.123 31.700 -0.062 0.000 1.072 911 A N -0.309 122.788 122.820 0.462 0.000 2.299 911 A HA 0.747 5.067 4.320 -0.001 0.000 0.332 911 A C 0.311 177.961 177.584 0.109 0.000 1.131 911 A CA -0.318 51.859 52.037 0.233 0.000 0.844 911 A CB 1.050 20.170 19.000 0.200 0.000 1.251 911 A HN 0.167 nan 8.150 nan 0.000 0.486 912 G N -1.309 107.434 108.800 -0.095 0.000 2.630 912 G HA2 0.640 4.599 3.960 -0.001 0.000 0.296 912 G HA3 0.640 4.599 3.960 -0.001 0.000 0.296 912 G C -1.804 172.707 174.900 -0.649 0.000 1.285 912 G CA -0.432 44.492 45.100 -0.293 0.000 0.958 912 G HN 0.530 nan 8.290 nan 0.000 0.479 913 Y N -0.919 119.350 120.300 -0.052 0.000 2.492 913 Y HA 0.475 5.025 4.550 -0.001 0.000 0.346 913 Y C 0.341 176.011 175.900 -0.383 0.000 0.997 913 Y CA -0.845 57.158 58.100 -0.161 0.000 1.025 913 Y CB 1.984 40.337 38.460 -0.178 0.000 1.263 913 Y HN 0.344 nan 8.280 nan 0.000 0.454 914 L N 2.278 123.343 121.223 -0.263 0.000 2.464 914 L HA 0.329 4.668 4.340 -0.001 0.000 0.264 914 L C 0.796 177.517 176.870 -0.249 0.000 1.199 914 L CA -0.521 54.087 54.840 -0.388 0.000 0.818 914 L CB 0.671 42.577 42.059 -0.254 0.000 1.102 914 L HN 0.795 nan 8.230 nan 0.000 0.473 915 T N -1.883 112.510 114.554 -0.269 0.000 2.788 915 T HA 0.103 4.453 4.350 -0.001 0.000 0.287 915 T C 1.179 175.825 174.700 -0.090 0.000 1.007 915 T CA -0.566 61.429 62.100 -0.175 0.000 1.005 915 T CB 1.203 69.963 68.868 -0.181 0.000 1.012 915 T HN 0.573 nan 8.240 nan 0.000 0.530 916 S N 0.998 116.658 115.700 -0.068 0.000 2.370 916 S HA -0.109 4.361 4.470 -0.001 0.000 0.226 916 S C 2.492 177.100 174.600 0.013 0.000 1.033 916 S CA 1.177 59.371 58.200 -0.010 0.000 1.011 916 S CB -1.030 62.148 63.200 -0.038 0.000 0.852 916 S HN 0.903 nan 8.310 nan 0.000 0.457 917 A N 1.415 124.218 122.820 -0.028 0.000 1.933 917 A HA 0.156 4.475 4.320 -0.001 0.000 0.218 917 A C 2.342 179.917 177.584 -0.015 0.000 1.175 917 A CA 1.642 53.665 52.037 -0.023 0.000 0.628 917 A CB -0.988 17.988 19.000 -0.040 0.000 0.814 917 A HN 0.520 nan 8.150 nan 0.000 0.444 918 A N -1.303 121.496 122.820 -0.035 0.000 1.930 918 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 918 A C 2.115 179.724 177.584 0.042 0.000 1.175 918 A CA 1.601 53.621 52.037 -0.027 0.000 0.627 918 A CB -0.941 17.989 19.000 -0.118 0.000 0.815 918 A HN 0.771 nan 8.150 nan 0.000 0.443 919 H N 0.104 119.157 119.070 -0.027 0.000 2.321 919 H HA -0.079 4.477 4.556 -0.001 0.000 0.300 919 H C 1.821 177.181 175.328 0.053 0.000 1.087 919 H CA 1.901 57.969 56.048 0.033 0.000 1.319 919 H CB -0.044 29.732 29.762 0.023 0.000 1.379 919 H HN 0.434 nan 8.280 nan 0.000 0.501 920 K N 0.186 120.539 120.400 -0.078 0.000 2.097 920 K HA -0.073 4.247 4.320 -0.001 0.000 0.206 920 K C 2.390 178.946 176.600 -0.073 0.000 1.049 920 K CA 0.840 57.062 56.287 -0.107 0.000 0.933 920 K CB -0.054 32.432 32.500 -0.023 0.000 0.717 920 K HN 0.272 nan 8.250 nan 0.000 0.442 921 A N 0.937 123.738 122.820 -0.031 0.000 1.933 921 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 921 A C 2.226 179.806 177.584 -0.007 0.000 1.175 921 A CA 2.007 54.041 52.037 -0.006 0.000 0.628 921 A CB -0.623 18.389 19.000 0.020 0.000 0.814 921 A HN 0.280 nan 8.150 nan 0.000 0.444 922 S N -0.637 115.061 115.700 -0.002 0.000 2.368 922 S HA -0.240 4.229 4.470 -0.001 0.000 0.225 922 S C 2.146 176.724 174.600 -0.038 0.000 1.030 922 S CA 1.739 59.952 58.200 0.021 0.000 0.999 922 S CB -0.413 62.847 63.200 0.100 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.301 120.032 119.800 -0.115 0.000 2.124 923 Q HA -0.043 4.297 4.340 -0.001 0.000 0.202 923 Q C 2.386 178.329 176.000 -0.095 0.000 0.977 923 Q CA 1.629 57.366 55.803 -0.110 0.000 0.850 923 Q CB -0.256 28.398 28.738 -0.139 0.000 0.901 923 Q HN 0.500 nan 8.270 nan 0.000 0.429 924 S N 0.681 116.336 115.700 -0.075 0.000 2.423 924 S HA -0.039 4.430 4.470 -0.001 0.000 0.231 924 S C 1.843 176.382 174.600 -0.102 0.000 1.014 924 S CA 0.720 58.874 58.200 -0.076 0.000 0.965 924 S CB -0.001 63.174 63.200 -0.042 0.000 0.785 924 S HN 0.273 nan 8.310 nan 0.000 0.495 925 L N 0.305 121.476 121.223 -0.088 0.000 2.127 925 L HA 0.098 4.438 4.340 -0.001 0.000 0.203 925 L C 2.027 178.802 176.870 -0.159 0.000 1.080 925 L CA 0.911 55.690 54.840 -0.102 0.000 0.768 925 L CB -0.337 41.685 42.059 -0.061 0.000 0.924 925 L HN 0.268 nan 8.230 nan 0.000 0.444 926 L N -1.245 119.889 121.223 -0.149 0.000 2.249 926 L HA 0.027 4.367 4.340 -0.001 0.000 0.207 926 L C 0.187 176.879 176.870 -0.297 0.000 1.090 926 L CA 0.757 55.483 54.840 -0.189 0.000 0.802 926 L CB 0.109 42.094 42.059 -0.123 0.000 0.947 926 L HN 0.202 nan 8.230 nan 0.000 0.453 927 D N 0.404 120.625 120.400 -0.299 0.000 2.613 927 D HA 0.228 4.868 4.640 -0.001 0.000 0.312 927 D C -2.344 173.714 176.300 -0.403 0.000 1.202 927 D CA -1.007 52.748 54.000 -0.409 0.000 0.825 927 D CB 1.275 42.035 40.800 -0.066 0.000 1.113 927 D HN 0.054 nan 8.370 nan 0.000 0.502 928 P HA 0.094 nan 4.420 nan 0.000 0.273 928 P C 0.593 177.759 177.300 -0.224 0.000 1.250 928 P CA -0.466 62.450 63.100 -0.307 0.000 0.793 928 P CB 1.505 33.028 31.700 -0.295 0.000 1.011 929 L N 0.982 122.143 121.223 -0.105 0.000 2.514 929 L HA 0.060 4.399 4.340 -0.001 0.000 0.280 929 L C 0.937 177.828 176.870 0.034 0.000 1.223 929 L CA 0.490 55.325 54.840 -0.009 0.000 0.864 929 L CB -0.340 41.726 42.059 0.011 0.000 1.118 929 L HN 0.289 nan 8.230 nan 0.000 0.494 930 D N 3.445 123.958 120.400 0.188 0.000 2.225 930 D HA 0.336 4.976 4.640 -0.001 0.000 0.249 930 D C -0.312 176.058 176.300 0.117 0.000 1.052 930 D CA -0.292 53.812 54.000 0.173 0.000 0.909 930 D CB 1.673 42.675 40.800 0.336 0.000 1.186 930 D HN 0.372 nan 8.370 nan 0.000 0.431 931 K N 1.266 121.619 120.400 -0.080 0.000 2.345 931 K HA 0.475 4.794 4.320 -0.001 0.000 0.255 931 K C -1.060 175.497 176.600 -0.072 0.000 0.934 931 K CA -0.660 55.677 56.287 0.083 0.000 0.801 931 K CB 1.614 34.107 32.500 -0.012 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.626 122.778 119.950 0.337 0.000 2.529 932 F HA 0.492 5.018 4.527 -0.001 0.000 0.320 932 F C -0.030 176.051 175.800 0.467 0.000 1.118 932 F CA -0.864 57.318 58.000 0.303 0.000 0.915 932 F CB 1.280 40.292 39.000 0.020 0.000 1.161 932 F HN 0.197 nan 8.300 nan 0.000 0.445 933 I N 3.565 124.512 120.570 0.628 0.000 2.362 933 I HA 0.226 4.395 4.170 -0.001 0.000 0.289 933 I C -0.581 175.830 176.117 0.489 0.000 0.994 933 I CA -0.821 60.778 61.300 0.498 0.000 1.158 933 I CB 1.238 39.430 38.000 0.319 0.000 1.315 933 I HN 0.440 nan 8.210 nan 0.000 0.451 934 F N 5.740 125.862 119.950 0.285 0.000 2.538 934 F HA 0.235 4.762 4.527 -0.001 0.000 0.371 934 F C 1.195 176.925 175.800 -0.116 0.000 1.087 934 F CA 0.057 57.948 58.000 -0.181 0.000 1.250 934 F CB 1.238 40.165 39.000 -0.121 0.000 1.110 934 F HN 0.602 nan 8.300 nan 0.000 0.570 935 A N 4.309 126.595 122.820 -0.890 0.000 1.975 935 A HA 0.068 4.388 4.320 -0.001 0.000 0.215 935 A C 1.044 178.373 177.584 -0.425 0.000 1.170 935 A CA 0.627 52.346 52.037 -0.530 0.000 0.656 935 A CB -0.279 18.377 19.000 -0.575 0.000 0.821 935 A HN 0.675 nan 8.150 nan 0.000 0.449 936 E N -0.474 119.338 120.200 -0.647 0.000 2.504 936 E HA 0.208 4.558 4.350 -0.001 0.000 0.253 936 E C 0.131 176.836 176.600 0.176 0.000 1.151 936 E CA -0.697 55.618 56.400 -0.141 0.000 0.972 936 E CB 0.174 29.830 29.700 -0.073 0.000 1.247 936 E HN 0.191 nan 8.360 nan 0.000 0.519 937 N N 0.511 119.328 118.700 0.195 0.000 2.300 937 N HA -0.073 4.667 4.740 -0.001 0.000 0.179 937 N C -0.082 175.585 175.510 0.262 0.000 1.016 937 N CA 0.789 53.964 53.050 0.208 0.000 0.876 937 N CB 0.403 38.968 38.487 0.130 0.000 0.979 937 N HN 0.427 nan 8.380 nan 0.000 0.432 938 E N -0.574 119.803 120.200 0.295 0.000 2.246 938 E HA 0.100 4.449 4.350 -0.001 0.000 0.266 938 E C -1.514 175.197 176.600 0.185 0.000 0.880 938 E CA -0.687 55.816 56.400 0.173 0.000 0.762 938 E CB 1.242 31.006 29.700 0.107 0.000 1.180 938 E HN -0.001 nan 8.360 nan 0.000 0.416 939 W N 7.978 128.976 121.300 -0.504 0.000 2.317 939 W HA 0.384 5.044 4.660 -0.001 0.000 0.327 939 W C -1.179 175.151 176.519 -0.314 0.000 1.036 939 W CA -1.338 55.574 57.345 -0.722 0.000 1.419 939 W CB -0.089 28.399 29.460 -1.620 0.000 1.253 939 W HN 0.454 nan 8.180 nan 0.000 0.392 940 I N 6.305 126.985 120.570 0.184 0.000 2.496 940 I HA 0.232 4.402 4.170 -0.001 0.000 0.285 940 I C 1.465 177.583 176.117 0.002 0.000 1.080 940 I CA 0.896 62.226 61.300 0.051 0.000 1.404 940 I CB 0.513 38.571 38.000 0.097 0.000 1.403 940 I HN 0.783 nan 8.210 nan 0.000 0.539 941 G N 4.348 113.062 108.800 -0.143 0.000 2.141 941 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.242 941 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.242 941 G C 0.408 175.080 174.900 -0.379 0.000 0.982 941 G CA -0.077 44.923 45.100 -0.165 0.000 0.662 941 G HN 0.983 nan 8.290 nan 0.000 0.527 942 A N -0.353 121.986 122.820 -0.801 0.000 2.531 942 A HA 0.566 4.885 4.320 -0.001 0.000 0.236 942 A C 0.575 177.766 177.584 -0.656 0.000 1.062 942 A CA 0.817 52.049 52.037 -1.342 0.000 0.760 942 A CB 0.245 18.112 19.000 -1.888 0.000 0.995 942 A HN 0.634 nan 8.150 nan 0.000 0.501 943 Q N 0.736 120.226 119.800 -0.516 0.000 2.351 943 Q HA 0.524 4.864 4.340 -0.001 0.000 0.273 943 Q C 1.122 177.018 176.000 -0.174 0.000 1.077 943 Q CA -0.222 55.432 55.803 -0.248 0.000 0.843 943 Q CB 1.896 30.555 28.738 -0.131 0.000 1.367 943 Q HN 0.795 nan 8.270 nan 0.000 0.449 944 G N 0.102 108.835 108.800 -0.112 0.000 2.603 944 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.214 944 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.214 944 G C 0.188 175.067 174.900 -0.034 0.000 1.140 944 G CA 0.562 45.609 45.100 -0.087 0.000 0.800 944 G HN 0.439 nan 8.290 nan 0.000 0.533 945 Q N -1.394 118.403 119.800 -0.006 0.000 2.426 945 Q HA 0.513 4.852 4.340 -0.001 0.000 0.278 945 Q C -2.351 173.675 176.000 0.044 0.000 1.007 945 Q CA -0.920 54.895 55.803 0.019 0.000 0.850 945 Q CB 2.220 30.954 28.738 -0.006 0.000 1.427 945 Q HN 0.056 nan 8.270 nan 0.000 0.391 946 F N 1.300 121.164 119.950 -0.143 0.000 2.556 946 F HA 0.654 5.181 4.527 -0.001 0.000 0.314 946 F C 0.569 176.126 175.800 -0.406 0.000 1.106 946 F CA 0.459 58.306 58.000 -0.254 0.000 0.911 946 F CB 2.063 40.923 39.000 -0.233 0.000 1.190 946 F HN 0.681 nan 8.300 nan 0.000 0.448 947 G N 3.048 110.877 108.800 -1.618 0.000 2.141 947 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.231 947 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.231 947 G C 1.021 175.251 174.900 -1.118 0.000 0.984 947 G CA 0.249 44.130 45.100 -2.031 0.000 0.660 947 G HN 1.550 nan 8.290 nan 0.000 0.525 948 G N 1.042 109.482 108.800 -0.601 0.000 2.498 948 G HA2 0.049 4.009 3.960 -0.001 0.000 0.219 948 G HA3 0.049 4.009 3.960 -0.001 0.000 0.219 948 G C 1.225 176.058 174.900 -0.110 0.000 1.119 948 G CA 1.741 46.707 45.100 -0.223 0.000 0.766 948 G HN 0.802 nan 8.290 nan 0.000 0.552 949 D N -0.779 119.482 120.400 -0.232 0.000 2.339 949 D HA 0.006 4.646 4.640 -0.001 0.000 0.217 949 D C 0.408 176.713 176.300 0.008 0.000 1.050 949 D CA -0.444 53.512 54.000 -0.074 0.000 0.856 949 D CB -0.886 39.877 40.800 -0.062 0.000 0.922 949 D HN 0.457 nan 8.370 nan 0.000 0.518 950 H N 1.288 120.252 119.070 -0.177 0.000 2.848 950 H HA 0.191 4.746 4.556 -0.001 0.000 0.341 950 H C -1.947 173.349 175.328 -0.054 0.000 1.060 950 H CA -1.673 54.295 56.048 -0.133 0.000 1.444 950 H CB 0.513 30.140 29.762 -0.224 0.000 1.446 950 H HN 0.020 nan 8.280 nan 0.000 0.583 951 P HA -0.057 nan 4.420 nan 0.000 0.268 951 P C -0.550 176.817 177.300 0.111 0.000 1.205 951 P CA 0.050 63.212 63.100 0.104 0.000 0.771 951 P CB 0.736 32.475 31.700 0.066 0.000 0.858 952 S N 1.979 117.781 115.700 0.172 0.000 2.466 952 S HA 0.576 5.046 4.470 -0.001 0.000 0.313 952 S C -0.011 174.705 174.600 0.193 0.000 1.078 952 S CA -0.563 57.771 58.200 0.223 0.000 1.115 952 S CB -0.723 62.729 63.200 0.420 0.000 1.006 952 S HN 0.495 nan 8.310 nan 0.000 0.487 953 A N 4.359 127.283 122.820 0.172 0.000 2.313 953 A HA 0.535 4.855 4.320 -0.001 0.000 0.261 953 A C 0.537 178.195 177.584 0.124 0.000 1.090 953 A CA -0.587 51.529 52.037 0.133 0.000 0.807 953 A CB 0.235 19.309 19.000 0.122 0.000 1.055 953 A HN 0.896 nan 8.150 nan 0.000 0.492 954 R N -0.055 120.488 120.500 0.071 0.000 2.697 954 R HA -0.038 4.301 4.340 -0.001 0.000 0.265 954 R C 1.427 177.745 176.300 0.029 0.000 1.009 954 R CA 0.976 57.092 56.100 0.027 0.000 1.099 954 R CB 0.327 30.628 30.300 0.000 0.000 0.965 954 R HN 0.918 nan 8.270 nan 0.000 0.428 955 E N 1.786 121.964 120.200 -0.036 0.000 2.265 955 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 955 E C 0.317 176.953 176.600 0.060 0.000 0.996 955 E CA 1.487 57.848 56.400 -0.065 0.000 0.832 955 E CB -0.049 29.583 29.700 -0.113 0.000 0.756 955 E HN 0.750 nan 8.360 nan 0.000 0.491 956 D N 0.700 121.093 120.400 -0.012 0.000 2.349 956 D HA -0.008 4.631 4.640 -0.001 0.000 0.224 956 D C 0.365 176.660 176.300 -0.010 0.000 1.029 956 D CA -0.089 53.859 54.000 -0.087 0.000 0.879 956 D CB -0.026 40.665 40.800 -0.182 0.000 0.906 956 D HN 0.182 nan 8.370 nan 0.000 0.528 957 L N 0.720 121.990 121.223 0.077 0.000 2.309 957 L HA 0.531 4.871 4.340 -0.001 0.000 0.282 957 L C -1.175 175.820 176.870 0.209 0.000 1.036 957 L CA -0.484 54.418 54.840 0.105 0.000 0.806 957 L CB 1.748 43.857 42.059 0.083 0.000 1.220 957 L HN -0.228 nan 8.230 nan 0.000 0.429 958 D N 2.332 122.875 120.400 0.238 0.000 2.671 958 D HA 0.368 5.008 4.640 -0.001 0.000 0.232 958 D C -1.297 175.160 176.300 0.262 0.000 1.114 958 D CA -0.270 53.894 54.000 0.272 0.000 0.858 958 D CB 2.424 43.429 40.800 0.341 0.000 1.544 958 D HN 0.241 nan 8.370 nan 0.000 0.471 959 V N 3.469 123.517 119.914 0.222 0.000 2.267 959 V HA 0.122 4.241 4.120 -0.001 0.000 0.254 959 V C 1.324 177.552 176.094 0.225 0.000 1.144 959 V CA -0.010 62.432 62.300 0.238 0.000 0.992 959 V CB 0.328 32.280 31.823 0.216 0.000 1.199 959 V HN 0.575 nan 8.190 nan 0.000 0.493 960 S N 2.924 118.784 115.700 0.266 0.000 2.382 960 S HA -0.020 4.450 4.470 -0.001 0.000 0.228 960 S C 0.690 175.347 174.600 0.094 0.000 1.027 960 S CA 0.908 59.222 58.200 0.189 0.000 0.991 960 S CB 0.164 63.537 63.200 0.288 0.000 0.823 960 S HN 0.498 nan 8.310 nan 0.000 0.469 961 V N 1.500 121.510 119.914 0.159 0.000 2.686 961 V HA 0.522 4.641 4.120 -0.001 0.000 0.306 961 V C -0.761 175.407 176.094 0.124 0.000 1.065 961 V CA -0.543 61.827 62.300 0.117 0.000 0.894 961 V CB 1.872 33.791 31.823 0.159 0.000 1.004 961 V HN 0.366 nan 8.190 nan 0.000 0.424 962 M N 5.603 125.198 119.600 -0.008 0.000 2.197 962 M HA 0.678 5.158 4.480 -0.001 0.000 0.301 962 M C -1.036 175.097 176.300 -0.278 0.000 0.987 962 M CA -0.494 54.666 55.300 -0.233 0.000 0.921 962 M CB 1.434 33.909 32.600 -0.208 0.000 1.569 962 M HN 0.738 nan 8.290 nan 0.000 0.431 963 R N 4.103 124.367 120.500 -0.393 0.000 2.510 963 R HA 0.422 4.762 4.340 -0.001 0.000 0.294 963 R C -1.332 174.745 176.300 -0.373 0.000 1.056 963 R CA -0.676 55.250 56.100 -0.291 0.000 0.918 963 R CB 1.789 31.995 30.300 -0.156 0.000 1.187 963 R HN 0.895 nan 8.270 nan 0.000 0.437 964 R N 4.460 124.796 120.500 -0.273 0.000 2.442 964 R HA 0.125 4.464 4.340 -0.001 0.000 0.291 964 R C 0.238 176.430 176.300 -0.180 0.000 1.069 964 R CA 0.092 56.059 56.100 -0.223 0.000 1.022 964 R CB 0.618 30.841 30.300 -0.127 0.000 0.976 964 R HN 0.701 nan 8.270 nan 0.000 0.443 965 L N 2.922 124.032 121.223 -0.189 0.000 2.590 965 L HA 0.138 4.478 4.340 -0.001 0.000 0.227 965 L C 0.338 177.156 176.870 -0.087 0.000 1.099 965 L CA 0.084 54.832 54.840 -0.154 0.000 0.872 965 L CB 0.422 42.354 42.059 -0.211 0.000 1.088 965 L HN 0.713 nan 8.230 nan 0.000 0.479 966 T N -2.687 111.827 114.554 -0.067 0.000 2.887 966 T HA 0.441 4.790 4.350 -0.001 0.000 0.288 966 T C -0.244 174.448 174.700 -0.014 0.000 1.021 966 T CA -0.909 61.169 62.100 -0.036 0.000 1.000 966 T CB 2.468 71.320 68.868 -0.026 0.000 1.034 966 T HN -0.092 nan 8.240 nan 0.000 0.467 967 K N 0.925 121.323 120.400 -0.004 0.000 2.117 967 K HA 0.324 4.644 4.320 -0.001 0.000 0.240 967 K C 1.631 178.243 176.600 0.021 0.000 1.031 967 K CA -0.243 56.053 56.287 0.015 0.000 0.909 967 K CB 0.605 33.111 32.500 0.011 0.000 1.097 967 K HN 0.810 nan 8.250 nan 0.000 0.492 968 S N -0.673 115.048 115.700 0.035 0.000 2.474 968 S HA -0.129 4.341 4.470 -0.001 0.000 0.235 968 S C 1.691 176.305 174.600 0.023 0.000 0.997 968 S CA 1.400 59.619 58.200 0.033 0.000 0.949 968 S CB -0.324 62.904 63.200 0.046 0.000 0.766 968 S HN 0.607 nan 8.310 nan 0.000 0.517 969 S N 1.623 117.335 115.700 0.019 0.000 2.481 969 S HA 0.401 4.871 4.470 -0.001 0.000 0.231 969 S C 0.880 175.485 174.600 0.010 0.000 0.996 969 S CA 0.131 58.340 58.200 0.015 0.000 0.942 969 S CB -0.655 62.553 63.200 0.014 0.000 0.768 969 S HN 0.792 nan 8.310 nan 0.000 0.520 970 A N 1.949 124.773 122.820 0.007 0.000 2.454 970 A HA 0.367 4.686 4.320 -0.001 0.000 0.260 970 A C 1.256 178.844 177.584 0.007 0.000 1.106 970 A CA -0.391 51.648 52.037 0.002 0.000 0.780 970 A CB 0.224 19.222 19.000 -0.003 0.000 1.044 970 A HN 0.427 nan 8.150 nan 0.000 0.498 971 K N 1.689 122.092 120.400 0.006 0.000 2.057 971 K HA -0.081 4.238 4.320 -0.001 0.000 0.207 971 K C 0.087 176.696 176.600 0.014 0.000 1.049 971 K CA 1.599 57.892 56.287 0.010 0.000 0.931 971 K CB -0.012 32.491 32.500 0.006 0.000 0.714 971 K HN 0.659 nan 8.250 nan 0.000 0.440 972 T N 2.552 117.112 114.554 0.010 0.000 2.781 972 T HA 0.175 4.524 4.350 -0.001 0.000 0.305 972 T C -0.809 173.905 174.700 0.023 0.000 1.001 972 T CA -0.632 61.478 62.100 0.016 0.000 0.950 972 T CB 1.336 70.203 68.868 -0.002 0.000 0.955 972 T HN 0.091 nan 8.240 nan 0.000 0.471 973 Q N 2.791 122.622 119.800 0.051 0.000 2.340 973 Q HA 0.368 4.707 4.340 -0.001 0.000 0.249 973 Q C 0.124 176.176 176.000 0.086 0.000 0.957 973 Q CA 0.124 55.958 55.803 0.052 0.000 0.882 973 Q CB 1.240 30.006 28.738 0.047 0.000 1.235 973 Q HN 0.546 nan 8.270 nan 0.000 0.439 974 R N 0.414 120.930 120.500 0.027 0.000 2.561 974 R HA 0.638 4.978 4.340 -0.001 0.000 0.297 974 R C -1.045 175.208 176.300 -0.078 0.000 0.969 974 R CA -0.655 55.446 56.100 0.002 0.000 0.879 974 R CB 1.800 32.067 30.300 -0.056 0.000 1.178 974 R HN 0.253 nan 8.270 nan 0.000 0.445 975 V N 1.524 121.392 119.914 -0.078 0.000 2.540 975 V HA 0.606 4.725 4.120 -0.001 0.000 0.302 975 V C 0.242 176.066 176.094 -0.450 0.000 1.035 975 V CA -0.843 61.278 62.300 -0.299 0.000 0.873 975 V CB 2.028 33.686 31.823 -0.275 0.000 0.992 975 V HN 0.946 nan 8.190 nan 0.000 0.428 976 G N 2.900 111.233 108.800 -0.778 0.000 2.371 976 G HA2 0.668 4.627 3.960 -0.001 0.000 0.326 976 G HA3 0.668 4.627 3.960 -0.001 0.000 0.326 976 G C -1.654 172.820 174.900 -0.712 0.000 1.127 976 G CA -0.303 44.190 45.100 -1.013 0.000 0.885 976 G HN 0.509 nan 8.290 nan 0.000 0.477 977 Y N 0.309 120.698 120.300 0.148 0.000 2.442 977 Y HA 0.475 5.025 4.550 -0.001 0.000 0.344 977 Y C -0.138 176.031 175.900 0.448 0.000 0.976 977 Y CA -0.925 57.349 58.100 0.291 0.000 1.040 977 Y CB 2.772 41.368 38.460 0.227 0.000 1.228 977 Y HN 0.344 nan 8.280 nan 0.000 0.451 978 V N 5.151 125.361 119.914 0.493 0.000 2.384 978 V HA 0.413 4.532 4.120 -0.001 0.000 0.287 978 V C -0.419 175.903 176.094 0.379 0.000 1.020 978 V CA -0.751 61.764 62.300 0.359 0.000 0.850 978 V CB 1.239 33.226 31.823 0.273 0.000 0.987 978 V HN 0.578 nan 8.190 nan 0.000 0.436 979 L N 4.697 126.130 121.223 0.351 0.000 2.322 979 L HA 0.593 4.933 4.340 -0.001 0.000 0.281 979 L C -0.766 176.302 176.870 0.330 0.000 1.014 979 L CA -0.654 54.386 54.840 0.333 0.000 0.815 979 L CB 1.667 43.912 42.059 0.310 0.000 1.247 979 L HN 0.701 nan 8.230 nan 0.000 0.421 980 H N 3.570 122.792 119.070 0.253 0.000 2.547 980 H HA 0.439 4.994 4.556 -0.001 0.000 0.342 980 H C -1.058 174.357 175.328 0.144 0.000 1.048 980 H CA -0.564 55.601 56.048 0.196 0.000 1.204 980 H CB 1.558 31.508 29.762 0.313 0.000 1.493 980 H HN 0.472 nan 8.280 nan 0.000 0.511 981 R N 4.331 124.481 120.500 -0.583 0.000 2.343 981 R HA 0.297 4.636 4.340 -0.001 0.000 0.320 981 R C -0.348 175.521 176.300 -0.718 0.000 0.956 981 R CA -0.488 55.340 56.100 -0.453 0.000 0.836 981 R CB 1.294 31.460 30.300 -0.223 0.000 1.151 981 R HN 0.766 nan 8.270 nan 0.000 0.450 982 T N 1.566 115.850 114.554 -0.449 0.000 2.771 982 T HA 0.145 4.494 4.350 -0.001 0.000 0.290 982 T C -0.429 174.094 174.700 -0.295 0.000 1.005 982 T CA -0.373 61.557 62.100 -0.283 0.000 0.944 982 T CB 0.549 69.329 68.868 -0.147 0.000 1.147 982 T HN 0.677 nan 8.240 nan 0.000 0.534 983 N N 0.770 119.319 118.700 -0.252 0.000 2.448 983 N HA 0.461 5.201 4.740 -0.001 0.000 0.279 983 N C -1.396 173.955 175.510 -0.265 0.000 1.025 983 N CA -0.482 52.364 53.050 -0.339 0.000 0.898 983 N CB 0.596 38.732 38.487 -0.585 0.000 1.303 983 N HN 0.457 nan 8.380 nan 0.000 0.495 984 L N 2.720 123.785 121.223 -0.264 0.000 2.325 984 L HA 0.529 4.868 4.340 -0.001 0.000 0.278 984 L C 0.569 177.317 176.870 -0.203 0.000 1.023 984 L CA -1.031 53.688 54.840 -0.203 0.000 0.811 984 L CB 1.466 43.412 42.059 -0.188 0.000 1.249 984 L HN 0.368 nan 8.230 nan 0.000 0.431 985 M N 2.224 121.725 119.600 -0.165 0.000 2.250 985 M HA 0.029 4.508 4.480 -0.001 0.000 0.337 985 M C -0.068 176.147 176.300 -0.142 0.000 1.161 985 M CA 0.200 55.407 55.300 -0.156 0.000 1.088 985 M CB 0.246 32.757 32.600 -0.148 0.000 1.639 985 M HN 0.487 nan 8.290 nan 0.000 0.447 986 Q N 2.163 121.884 119.800 -0.132 0.000 2.307 986 Q HA 0.177 4.517 4.340 -0.001 0.000 0.259 986 Q C -0.070 175.875 176.000 -0.093 0.000 0.998 986 Q CA 0.152 55.891 55.803 -0.108 0.000 0.923 986 Q CB 0.768 29.447 28.738 -0.099 0.000 1.196 986 Q HN 0.783 nan 8.270 nan 0.000 0.416 987 c N 0.525 119.074 118.600 -0.086 0.000 3.240 987 c HA 0.346 4.916 4.570 -0.001 0.000 0.271 987 c C 1.228 175.279 174.090 -0.065 0.000 1.534 987 c CA -0.021 56.261 56.329 -0.078 0.000 1.796 987 c CB -0.250 42.208 42.510 -0.086 0.000 2.892 987 c HN 1.005 nan 8.230 nan 0.000 0.566 988 G N 1.480 110.243 108.800 -0.062 0.000 2.132 988 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.234 988 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.234 988 G C 0.040 174.909 174.900 -0.052 0.000 0.989 988 G CA 0.498 45.566 45.100 -0.052 0.000 0.676 988 G HN 0.466 nan 8.290 nan 0.000 0.522 989 T N 1.718 116.236 114.554 -0.059 0.000 3.378 989 T HA 0.482 4.831 4.350 -0.001 0.000 0.359 989 T C -0.501 174.160 174.700 -0.066 0.000 1.815 989 T CA -0.508 61.556 62.100 -0.060 0.000 1.509 989 T CB 1.587 70.418 68.868 -0.062 0.000 1.049 989 T HN 0.079 nan 8.240 nan 0.000 0.705 990 P HA -0.193 nan 4.420 nan 0.000 0.222 990 P C 0.567 177.815 177.300 -0.085 0.000 1.159 990 P CA 1.208 64.266 63.100 -0.069 0.000 0.920 990 P CB 0.032 31.695 31.700 -0.061 0.000 0.793 991 E N -1.191 118.952 120.200 -0.096 0.000 2.197 991 E HA -0.223 4.127 4.350 -0.001 0.000 0.184 991 E C 0.401 176.911 176.600 -0.149 0.000 1.439 991 E CA 0.635 56.962 56.400 -0.121 0.000 0.688 991 E CB -1.296 28.345 29.700 -0.099 0.000 1.090 991 E HN 0.398 nan 8.360 nan 0.000 0.341 992 E N 0.044 120.127 120.200 -0.195 0.000 3.892 992 E HA 0.127 4.477 4.350 -0.001 0.000 0.327 992 E C -0.436 175.987 176.600 -0.295 0.000 0.690 992 E CA -0.024 56.275 56.400 -0.168 0.000 1.780 992 E CB 0.041 29.688 29.700 -0.088 0.000 2.148 992 E HN 0.630 nan 8.360 nan 0.000 0.465 993 H N 1.088 120.152 119.070 -0.010 0.000 2.801 993 H HA -0.114 4.441 4.556 -0.001 0.000 0.226 993 H C -0.719 174.615 175.328 0.010 0.000 0.679 993 H CA 0.784 56.830 56.048 -0.003 0.000 1.495 993 H CB -1.376 28.382 29.762 -0.006 0.000 1.319 993 H HN 0.188 nan 8.280 nan 0.000 0.428 994 T N 0.838 115.474 114.554 0.136 0.000 2.901 994 T HA 0.532 4.882 4.350 -0.001 0.000 0.293 994 T C -0.307 174.456 174.700 0.105 0.000 1.084 994 T CA -1.343 60.834 62.100 0.129 0.000 1.008 994 T CB 2.005 70.916 68.868 0.071 0.000 1.170 994 T HN 0.737 nan 8.240 nan 0.000 0.509 995 Q N 0.842 120.706 119.800 0.108 0.000 2.235 995 Q HA 0.377 4.717 4.340 -0.001 0.000 0.250 995 Q C -0.222 175.810 176.000 0.054 0.000 0.909 995 Q CA -0.908 54.941 55.803 0.077 0.000 0.910 995 Q CB 1.555 30.347 28.738 0.089 0.000 1.223 995 Q HN 0.606 nan 8.270 nan 0.000 0.432 996 K N 2.021 122.437 120.400 0.028 0.000 2.448 996 K HA 0.050 4.370 4.320 -0.001 0.000 0.278 996 K C -0.962 175.642 176.600 0.006 0.000 1.009 996 K CA -0.248 56.045 56.287 0.009 0.000 0.995 996 K CB 0.363 32.857 32.500 -0.010 0.000 0.917 996 K HN 0.427 nan 8.250 nan 0.000 0.481 997 L N 4.594 125.817 121.223 0.000 0.000 2.272 997 L HA 0.274 4.614 4.340 -0.001 0.000 0.289 997 L C -1.139 175.693 176.870 -0.062 0.000 1.032 997 L CA -0.045 54.785 54.840 -0.017 0.000 0.810 997 L CB 1.252 43.312 42.059 0.002 0.000 1.205 997 L HN 0.635 nan 8.230 nan 0.000 0.422 998 D N 3.479 123.834 120.400 -0.075 0.000 2.460 998 D HA 0.167 4.807 4.640 -0.001 0.000 0.232 998 D C 1.038 177.245 176.300 -0.155 0.000 1.079 998 D CA -0.304 53.630 54.000 -0.110 0.000 0.864 998 D CB 1.282 42.054 40.800 -0.046 0.000 1.048 998 D HN 0.381 nan 8.370 nan 0.000 0.523 999 V N 1.442 121.168 119.914 -0.314 0.000 2.720 999 V HA -0.163 3.957 4.120 -0.001 0.000 0.256 999 V C 2.025 177.834 176.094 -0.475 0.000 1.082 999 V CA 1.041 62.987 62.300 -0.589 0.000 1.101 999 V CB -1.056 30.133 31.823 -1.057 0.000 0.693 999 V HN 0.623 nan 8.190 nan 0.000 0.479 1000 c N 0.561 119.016 118.600 -0.243 0.000 2.472 1000 c HA 0.060 4.629 4.570 -0.001 0.000 0.278 1000 c C 2.054 176.051 174.090 -0.155 0.000 1.447 1000 c CA 1.062 57.311 56.329 -0.134 0.000 1.773 1000 c CB -1.836 40.589 42.510 -0.142 0.000 1.793 1000 c HN 0.762 nan 8.230 nan 0.000 0.544 1001 H N -0.882 118.169 119.070 -0.032 0.000 2.520 1001 H HA 0.261 4.817 4.556 -0.001 0.000 0.284 1001 H C 1.694 177.062 175.328 0.066 0.000 1.037 1001 H CA 0.010 56.080 56.048 0.036 0.000 1.168 1001 H CB 0.049 29.813 29.762 0.002 0.000 1.497 1001 H HN 0.350 nan 8.280 nan 0.000 0.547 1002 L N -0.156 121.136 121.223 0.115 0.000 2.217 1002 L HA 0.001 4.341 4.340 -0.001 0.000 0.211 1002 L C 0.161 177.190 176.870 0.265 0.000 1.107 1002 L CA 0.824 55.761 54.840 0.163 0.000 0.783 1002 L CB 0.134 42.257 42.059 0.106 0.000 0.919 1002 L HN 0.207 nan 8.230 nan 0.000 0.442 1003 L N -0.081 121.261 121.223 0.199 0.000 2.331 1003 L HA 0.397 4.737 4.340 -0.001 0.000 0.275 1003 L C -2.091 174.850 176.870 0.118 0.000 1.022 1003 L CA -1.994 52.895 54.840 0.082 0.000 0.812 1003 L CB 1.498 43.380 42.059 -0.295 0.000 1.257 1003 L HN -0.210 nan 8.230 nan 0.000 0.435 1004 P HA 0.141 nan 4.420 nan 0.000 0.276 1004 P C -0.878 176.540 177.300 0.198 0.000 1.261 1004 P CA -0.309 62.869 63.100 0.129 0.000 0.800 1004 P CB 0.362 32.112 31.700 0.083 0.000 1.066 1005 N N -3.224 115.567 118.700 0.151 0.000 2.740 1005 N HA -0.152 4.588 4.740 -0.001 0.000 0.248 1005 N C 0.035 175.618 175.510 0.122 0.000 1.062 1005 N CA 0.068 53.193 53.050 0.126 0.000 0.704 1005 N CB -1.954 36.599 38.487 0.111 0.000 0.968 1005 N HN 0.244 nan 8.380 nan 0.000 0.547 1006 V N -0.031 119.904 119.914 0.035 0.000 2.655 1006 V HA 0.347 4.467 4.120 -0.001 0.000 0.300 1006 V C 1.196 177.186 176.094 -0.174 0.000 1.044 1006 V CA 1.199 63.343 62.300 -0.261 0.000 1.095 1006 V CB 1.222 32.779 31.823 -0.442 0.000 0.952 1006 V HN 0.441 nan 8.190 nan 0.000 0.485 1007 A N 6.964 129.666 122.820 -0.197 0.000 2.287 1007 A HA 0.485 4.804 4.320 -0.001 0.000 0.214 1007 A C 0.916 178.463 177.584 -0.061 0.000 1.228 1007 A CA 0.014 51.997 52.037 -0.089 0.000 0.939 1007 A CB 0.265 19.233 19.000 -0.055 0.000 0.992 1007 A HN 0.768 nan 8.150 nan 0.000 0.502 1008 R N -1.547 118.890 120.500 -0.105 0.000 2.634 1008 R HA 0.484 4.823 4.340 -0.001 0.000 0.263 1008 R C -2.322 173.953 176.300 -0.041 0.000 1.060 1008 R CA -0.319 55.782 56.100 0.001 0.000 0.898 1008 R CB 1.473 31.784 30.300 0.018 0.000 1.253 1008 R HN 0.309 nan 8.270 nan 0.000 0.461 1009 c N 2.633 121.264 118.600 0.051 0.000 2.535 1009 c HA 0.632 5.202 4.570 -0.001 0.000 0.319 1009 c C -1.222 172.969 174.090 0.168 0.000 1.171 1009 c CA -0.207 56.157 56.329 0.059 0.000 1.394 1009 c CB 1.379 43.887 42.510 -0.003 0.000 1.990 1009 c HN 0.931 nan 8.230 nan 0.000 0.466 1010 E N 2.849 123.165 120.200 0.194 0.000 2.248 1010 E HA 0.435 4.785 4.350 -0.001 0.000 0.267 1010 E C -0.957 175.813 176.600 0.284 0.000 0.877 1010 E CA -0.569 55.959 56.400 0.214 0.000 0.759 1010 E CB 1.815 31.596 29.700 0.135 0.000 1.182 1010 E HN 0.643 nan 8.360 nan 0.000 0.418 1011 R N 1.513 122.163 120.500 0.251 0.000 2.390 1011 R HA 0.300 4.640 4.340 -0.001 0.000 0.291 1011 R C -0.427 175.899 176.300 0.044 0.000 1.070 1011 R CA 0.176 56.336 56.100 0.101 0.000 1.014 1011 R CB 0.569 30.901 30.300 0.054 0.000 1.007 1011 R HN 0.685 nan 8.270 nan 0.000 0.466 1012 T N -0.261 114.292 114.554 -0.001 0.000 2.907 1012 T HA 0.348 4.698 4.350 -0.001 0.000 0.290 1012 T C 0.137 174.818 174.700 -0.032 0.000 1.066 1012 T CA -0.768 61.354 62.100 0.036 0.000 1.012 1012 T CB 1.416 70.376 68.868 0.154 0.000 1.184 1012 T HN 0.625 nan 8.240 nan 0.000 0.522 1013 T N 0.145 114.685 114.554 -0.024 0.000 2.791 1013 T HA 0.188 4.537 4.350 -0.001 0.000 0.323 1013 T C 1.573 176.193 174.700 -0.134 0.000 1.082 1013 T CA -0.646 61.417 62.100 -0.061 0.000 1.084 1013 T CB -0.072 68.777 68.868 -0.031 0.000 0.992 1013 T HN 0.567 nan 8.240 nan 0.000 0.547 1014 L N 1.074 122.202 121.223 -0.158 0.000 2.362 1014 L HA -0.023 4.316 4.340 -0.001 0.000 0.219 1014 L C 2.911 179.491 176.870 -0.484 0.000 1.134 1014 L CA 1.383 56.062 54.840 -0.269 0.000 0.807 1014 L CB -0.998 40.991 42.059 -0.118 0.000 0.927 1014 L HN 0.994 nan 8.230 nan 0.000 0.447 1015 T N -4.761 109.614 114.554 -0.300 0.000 3.113 1015 T HA -0.026 4.324 4.350 -0.001 0.000 0.256 1015 T C 0.773 175.373 174.700 -0.166 0.000 1.131 1015 T CA -0.111 61.848 62.100 -0.235 0.000 1.074 1015 T CB -0.147 68.704 68.868 -0.029 0.000 0.944 1015 T HN 0.217 nan 8.240 nan 0.000 0.516 1016 F N -0.977 118.984 119.950 0.019 0.000 2.794 1016 F HA -0.177 4.350 4.527 -0.001 0.000 0.335 1016 F C 0.988 176.786 175.800 -0.003 0.000 0.653 1016 F CA -0.067 57.936 58.000 0.006 0.000 1.266 1016 F CB -2.291 36.708 39.000 -0.001 0.000 1.666 1016 F HN 0.238 nan 8.300 nan 0.000 0.314 1017 L N -0.760 120.531 121.223 0.113 0.000 2.567 1017 L HA 0.127 4.467 4.340 -0.001 0.000 0.225 1017 L C 1.001 177.891 176.870 0.032 0.000 1.119 1017 L CA 0.811 55.690 54.840 0.065 0.000 0.871 1017 L CB 0.229 42.310 42.059 0.037 0.000 1.036 1017 L HN 0.342 nan 8.230 nan 0.000 0.459 1018 Q N 0.510 120.328 119.800 0.031 0.000 2.289 1018 Q HA 0.267 4.606 4.340 -0.001 0.000 0.270 1018 Q C -1.243 174.771 176.000 0.023 0.000 1.038 1018 Q CA -0.692 55.117 55.803 0.011 0.000 0.812 1018 Q CB 1.899 30.630 28.738 -0.011 0.000 1.300 1018 Q HN 0.075 nan 8.270 nan 0.000 0.427 1019 N N 4.437 123.148 118.700 0.018 0.000 2.470 1019 N HA 0.195 4.934 4.740 -0.001 0.000 0.268 1019 N C 0.292 175.814 175.510 0.020 0.000 1.136 1019 N CA 0.212 53.278 53.050 0.028 0.000 0.961 1019 N CB 1.103 39.599 38.487 0.015 0.000 1.067 1019 N HN 0.649 nan 8.380 nan 0.000 0.468 1020 L N 0.455 121.696 121.223 0.029 0.000 2.537 1020 L HA 0.300 4.640 4.340 -0.001 0.000 0.224 1020 L C 0.604 177.500 176.870 0.043 0.000 1.065 1020 L CA 0.368 55.221 54.840 0.021 0.000 0.860 1020 L CB 0.372 42.433 42.059 0.004 0.000 1.086 1020 L HN 0.521 nan 8.230 nan 0.000 0.482 1021 E N -0.404 119.841 120.200 0.075 0.000 2.335 1021 E HA 0.141 4.490 4.350 -0.001 0.000 0.280 1021 E C -1.323 175.380 176.600 0.170 0.000 0.918 1021 E CA -0.563 55.900 56.400 0.106 0.000 0.765 1021 E CB 1.600 31.357 29.700 0.096 0.000 1.218 1021 E HN 0.101 nan 8.360 nan 0.000 0.425 1022 H N 5.646 124.741 119.070 0.042 0.000 2.668 1022 H HA 0.320 4.876 4.556 -0.001 0.000 0.303 1022 H C -0.684 174.670 175.328 0.043 0.000 1.074 1022 H CA -0.562 55.510 56.048 0.039 0.000 1.406 1022 H CB 0.667 30.442 29.762 0.022 0.000 1.442 1022 H HN 0.355 nan 8.280 nan 0.000 0.482 1023 L N 5.385 126.630 121.223 0.037 0.000 2.289 1023 L HA 0.127 4.466 4.340 -0.001 0.000 0.285 1023 L C 0.142 176.916 176.870 -0.159 0.000 1.049 1023 L CA -0.908 53.911 54.840 -0.035 0.000 0.804 1023 L CB 1.193 43.276 42.059 0.040 0.000 1.195 1023 L HN 0.665 nan 8.230 nan 0.000 0.428 1024 D N 2.722 123.043 120.400 -0.132 0.000 2.455 1024 D HA 0.124 4.763 4.640 -0.001 0.000 0.241 1024 D C 1.196 177.454 176.300 -0.069 0.000 1.138 1024 D CA 1.111 55.038 54.000 -0.123 0.000 0.877 1024 D CB 1.288 42.039 40.800 -0.080 0.000 1.187 1024 D HN 0.854 nan 8.370 nan 0.000 0.451 1025 G N 2.543 111.307 108.800 -0.060 0.000 2.189 1025 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.267 1025 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.267 1025 G C 0.811 175.742 174.900 0.052 0.000 0.975 1025 G CA 0.460 45.555 45.100 -0.008 0.000 0.644 1025 G HN 0.620 nan 8.290 nan 0.000 0.537 1026 M N -2.386 117.222 119.600 0.014 0.000 2.732 1026 M HA -0.179 4.301 4.480 -0.001 0.000 0.207 1026 M C 0.069 176.427 176.300 0.096 0.000 0.513 1026 M CA 0.853 56.169 55.300 0.026 0.000 0.652 1026 M CB -1.827 30.770 32.600 -0.004 0.000 2.410 1026 M HN 0.250 nan 8.290 nan 0.000 0.660 1027 V N 0.778 120.722 119.914 0.050 0.000 2.398 1027 V HA 0.725 4.845 4.120 -0.001 0.000 0.286 1027 V C 0.629 176.656 176.094 -0.111 0.000 1.026 1027 V CA -0.272 62.037 62.300 0.014 0.000 0.868 1027 V CB 1.773 33.585 31.823 -0.018 0.000 0.982 1027 V HN 0.367 nan 8.190 nan 0.000 0.443 1028 A N 7.769 130.439 122.820 -0.251 0.000 2.279 1028 A HA 0.741 5.060 4.320 -0.001 0.000 0.306 1028 A C -2.445 174.855 177.584 -0.473 0.000 1.300 1028 A CA -1.427 50.222 52.037 -0.647 0.000 0.925 1028 A CB 0.079 18.413 19.000 -1.110 0.000 1.152 1028 A HN 0.642 nan 8.150 nan 0.000 0.544 1029 P HA 0.204 nan 4.420 nan 0.000 0.272 1029 P C -0.096 177.181 177.300 -0.037 0.000 1.230 1029 P CA -0.218 62.828 63.100 -0.090 0.000 0.788 1029 P CB 0.602 32.314 31.700 0.021 0.000 0.949 1030 E N -0.357 119.843 120.200 -0.001 0.000 2.369 1030 E HA 0.301 4.651 4.350 -0.001 0.000 0.255 1030 E C -0.059 176.588 176.600 0.078 0.000 1.172 1030 E CA -0.906 55.521 56.400 0.046 0.000 0.932 1030 E CB 0.462 30.174 29.700 0.020 0.000 1.040 1030 E HN 0.267 nan 8.360 nan 0.000 0.454 1031 V N -1.747 118.215 119.914 0.080 0.000 2.966 1031 V HA 0.391 4.511 4.120 -0.001 0.000 0.317 1031 V C 0.053 176.150 176.094 0.005 0.000 1.070 1031 V CA -1.102 61.237 62.300 0.064 0.000 1.008 1031 V CB 1.282 33.152 31.823 0.078 0.000 1.070 1031 V HN 0.753 nan 8.190 nan 0.000 0.457 1032 c N 2.487 121.086 118.600 -0.003 0.000 2.595 1032 c HA 0.449 5.019 4.570 -0.001 0.000 0.384 1032 c C -2.098 171.939 174.090 -0.088 0.000 1.289 1032 c CA -0.354 55.955 56.329 -0.034 0.000 2.372 1032 c CB -0.001 42.505 42.510 -0.007 0.000 2.593 1032 c HN 0.815 nan 8.230 nan 0.000 0.639 1033 P HA 0.039 nan 4.420 nan 0.000 0.264 1033 P C 0.251 177.405 177.300 -0.243 0.000 1.183 1033 P CA 0.883 63.852 63.100 -0.219 0.000 0.763 1033 P CB 0.175 31.725 31.700 -0.250 0.000 0.807 1034 M N -1.181 118.227 119.600 -0.320 0.000 2.908 1034 M HA -0.182 4.297 4.480 -0.001 0.000 0.191 1034 M C -0.183 176.129 176.300 0.019 0.000 0.619 1034 M CA 1.362 56.469 55.300 -0.321 0.000 0.709 1034 M CB -2.102 29.999 32.600 -0.831 0.000 2.554 1034 M HN 0.414 nan 8.290 nan 0.000 0.356 1035 E N 0.307 120.500 120.200 -0.012 0.000 2.227 1035 E HA 0.722 5.072 4.350 -0.001 0.000 0.268 1035 E C 0.102 176.767 176.600 0.108 0.000 0.990 1035 E CA -0.153 56.312 56.400 0.108 0.000 0.856 1035 E CB 1.426 31.160 29.700 0.057 0.000 1.159 1035 E HN 0.141 nan 8.360 nan 0.000 0.401 1036 T N 0.522 115.161 114.554 0.143 0.000 2.879 1036 T HA 0.698 5.047 4.350 -0.001 0.000 0.290 1036 T C -0.801 173.916 174.700 0.027 0.000 0.993 1036 T CA -0.668 61.522 62.100 0.151 0.000 0.975 1036 T CB 1.547 70.517 68.868 0.170 0.000 0.981 1036 T HN 0.510 nan 8.240 nan 0.000 0.439 1037 A N 2.011 124.849 122.820 0.031 0.000 2.469 1037 A HA 0.999 5.319 4.320 -0.001 0.000 0.299 1037 A C -0.980 176.516 177.584 -0.146 0.000 1.098 1037 A CA -0.965 50.998 52.037 -0.123 0.000 0.737 1037 A CB 1.531 20.418 19.000 -0.188 0.000 1.312 1037 A HN 1.107 nan 8.150 nan 0.000 0.414 1038 A N 0.318 122.958 122.820 -0.300 0.000 2.365 1038 A HA 0.813 5.133 4.320 -0.001 0.000 0.318 1038 A C -1.603 175.797 177.584 -0.307 0.000 1.091 1038 A CA -0.342 51.625 52.037 -0.116 0.000 0.763 1038 A CB 0.734 19.695 19.000 -0.065 0.000 1.248 1038 A HN 0.831 nan 8.150 nan 0.000 0.442 1039 Y N 0.173 120.686 120.300 0.355 0.000 2.512 1039 Y HA 0.579 5.128 4.550 -0.001 0.000 0.348 1039 Y C -0.231 175.844 175.900 0.291 0.000 0.990 1039 Y CA -0.910 57.356 58.100 0.277 0.000 1.033 1039 Y CB 2.486 41.071 38.460 0.208 0.000 1.259 1039 Y HN 0.414 nan 8.280 nan 0.000 0.461 1040 V N 2.408 122.519 119.914 0.328 0.000 2.487 1040 V HA 0.494 4.614 4.120 -0.001 0.000 0.298 1040 V C -0.628 175.549 176.094 0.139 0.000 1.028 1040 V CA -0.941 61.448 62.300 0.148 0.000 0.860 1040 V CB 1.734 33.580 31.823 0.038 0.000 0.991 1040 V HN 0.833 nan 8.190 nan 0.000 0.427 1041 S N 3.495 119.280 115.700 0.141 0.000 2.541 1041 S HA 0.743 5.212 4.470 -0.001 0.000 0.283 1041 S C -0.224 174.312 174.600 -0.107 0.000 1.196 1041 S CA -0.599 57.605 58.200 0.006 0.000 1.062 1041 S CB 1.591 64.851 63.200 0.101 0.000 1.009 1041 S HN 0.585 nan 8.310 nan 0.000 0.502 1042 S N 2.274 117.796 115.700 -0.296 0.000 2.537 1042 S HA 0.576 5.045 4.470 -0.001 0.000 0.301 1042 S C -0.916 173.395 174.600 -0.481 0.000 1.092 1042 S CA -0.813 57.247 58.200 -0.232 0.000 1.048 1042 S CB 0.633 63.769 63.200 -0.108 0.000 1.053 1042 S HN 0.810 nan 8.310 nan 0.000 0.501 1043 H N 0.609 119.667 119.070 -0.020 0.000 2.771 1043 H HA 0.273 4.828 4.556 -0.001 0.000 0.361 1043 H C -0.124 175.198 175.328 -0.010 0.000 1.108 1043 H CA -0.583 55.456 56.048 -0.016 0.000 1.201 1043 H CB 1.815 31.569 29.762 -0.013 0.000 1.681 1043 H HN 0.666 nan 8.280 nan 0.000 0.534 1044 S N 0.958 116.715 115.700 0.094 0.000 2.605 1044 S HA -0.012 4.458 4.470 -0.001 0.000 0.217 1044 S C 1.170 175.802 174.600 0.052 0.000 0.958 1044 S CA -0.273 57.958 58.200 0.051 0.000 0.919 1044 S CB -0.129 63.089 63.200 0.030 0.000 0.780 1044 S HN 0.615 nan 8.310 nan 0.000 0.507 1045 S N 0.000 115.742 115.700 0.070 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.239 58.200 0.065 0.000 1.107 1045 S CB 0.000 63.232 63.200 0.053 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517