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 3dx0_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV 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 0.000 174.104 174.090 0.023 0.000 1.270 31 c CA 0.000 56.337 56.329 0.013 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.010 0.000 2.134 32 Q N 1.423 121.253 119.800 0.050 0.000 2.395 32 Q HA 0.138 4.478 4.340 -0.001 0.000 0.271 32 Q C -0.190 175.843 176.000 0.055 0.000 1.026 32 Q CA 0.436 56.284 55.803 0.075 0.000 0.900 32 Q CB 0.791 29.612 28.738 0.137 0.000 1.266 32 Q HN 0.661 nan 8.270 nan 0.000 0.430 33 D N 1.538 121.973 120.400 0.058 0.000 2.316 33 D HA 0.073 4.713 4.640 -0.001 0.000 0.245 33 D C 0.464 176.812 176.300 0.080 0.000 1.171 33 D CA -0.251 53.764 54.000 0.025 0.000 0.856 33 D CB 1.362 42.175 40.800 0.021 0.000 1.090 33 D HN 0.378 nan 8.370 nan 0.000 0.476 34 V N 2.192 122.104 119.914 -0.005 0.000 3.649 34 V HA 0.088 4.208 4.120 -0.001 0.000 0.275 34 V C 1.102 177.243 176.094 0.077 0.000 1.281 34 V CA 0.162 62.517 62.300 0.091 0.000 1.143 34 V CB 0.202 31.897 31.823 -0.214 0.000 0.892 34 V HN 0.390 nan 8.190 nan 0.000 0.441 35 V N -0.030 119.844 119.914 -0.068 0.000 2.806 35 V HA 0.102 4.221 4.120 -0.001 0.000 0.239 35 V C 2.293 178.352 176.094 -0.058 0.000 1.113 35 V CA 1.246 63.457 62.300 -0.149 0.000 1.137 35 V CB 0.030 31.729 31.823 -0.206 0.000 0.865 35 V HN 0.474 nan 8.190 nan 0.000 0.482 36 Q N -0.341 119.482 119.800 0.038 0.000 2.356 36 Q HA 0.127 4.466 4.340 -0.001 0.000 0.205 36 Q C -0.481 175.600 176.000 0.136 0.000 0.901 36 Q CA 0.274 56.120 55.803 0.071 0.000 0.938 36 Q CB 0.642 29.397 28.738 0.029 0.000 1.081 36 Q HN 0.490 nan 8.270 nan 0.000 0.517 37 D N 1.245 121.761 120.400 0.194 0.000 2.461 37 D HA 0.164 4.804 4.640 -0.001 0.000 0.240 37 D C -0.688 175.736 176.300 0.206 0.000 1.094 37 D CA -0.252 53.849 54.000 0.169 0.000 0.868 37 D CB 1.997 42.874 40.800 0.128 0.000 1.062 37 D HN -0.164 nan 8.370 nan 0.000 0.530 38 V N 4.332 124.339 119.914 0.155 0.000 2.450 38 V HA 0.091 4.210 4.120 -0.001 0.000 0.281 38 V C -1.806 174.273 176.094 -0.025 0.000 1.019 38 V CA -1.034 61.275 62.300 0.015 0.000 1.062 38 V CB 0.029 31.863 31.823 0.017 0.000 0.979 38 V HN 0.305 nan 8.190 nan 0.000 0.477 39 P HA 0.070 nan 4.420 nan 0.000 0.265 39 P C -0.368 176.906 177.300 -0.044 0.000 1.193 39 P CA -0.080 62.992 63.100 -0.048 0.000 0.765 39 P CB 0.314 31.966 31.700 -0.079 0.000 0.823 40 N N 2.815 121.505 118.700 -0.018 0.000 2.420 40 N HA 0.333 5.073 4.740 -0.001 0.000 0.249 40 N C -1.001 174.501 175.510 -0.014 0.000 1.033 40 N CA -0.410 52.631 53.050 -0.014 0.000 0.944 40 N CB 0.150 38.637 38.487 0.000 0.000 1.113 40 N HN 0.126 nan 8.380 nan 0.000 0.502 41 V N 0.447 120.346 119.914 -0.025 0.000 3.001 41 V HA 0.539 4.658 4.120 -0.001 0.000 0.314 41 V C 0.558 176.639 176.094 -0.023 0.000 1.099 41 V CA -0.748 61.540 62.300 -0.020 0.000 0.989 41 V CB 2.044 33.844 31.823 -0.039 0.000 1.040 41 V HN 0.408 nan 8.190 nan 0.000 0.434 42 D N 0.814 121.207 120.400 -0.011 0.000 2.144 42 D HA 0.023 4.663 4.640 -0.001 0.000 0.200 42 D C 0.493 176.764 176.300 -0.049 0.000 0.978 42 D CA 1.623 55.613 54.000 -0.016 0.000 0.833 42 D CB 0.458 41.265 40.800 0.011 0.000 0.961 42 D HN 0.412 nan 8.370 nan 0.000 0.470 43 V N 1.552 121.415 119.914 -0.084 0.000 2.483 43 V HA 0.203 4.323 4.120 -0.001 0.000 0.297 43 V C -0.345 175.654 176.094 -0.158 0.000 1.027 43 V CA -0.742 61.479 62.300 -0.132 0.000 0.855 43 V CB 2.365 34.065 31.823 -0.205 0.000 0.995 43 V HN -0.068 nan 8.190 nan 0.000 0.424 44 Q N 4.601 124.321 119.800 -0.134 0.000 2.341 44 Q HA 0.438 4.777 4.340 -0.001 0.000 0.268 44 Q C 0.425 176.330 176.000 -0.159 0.000 1.013 44 Q CA -0.672 55.043 55.803 -0.146 0.000 0.798 44 Q CB 1.883 30.556 28.738 -0.108 0.000 1.253 44 Q HN 0.677 nan 8.270 nan 0.000 0.457 45 M N 3.086 122.545 119.600 -0.236 0.000 2.213 45 M HA -0.154 4.326 4.480 -0.001 0.000 0.263 45 M C 1.617 177.815 176.300 -0.170 0.000 1.062 45 M CA 0.922 56.068 55.300 -0.257 0.000 1.105 45 M CB -0.759 31.550 32.600 -0.485 0.000 1.385 45 M HN 0.563 nan 8.290 nan 0.000 0.417 46 L N 0.764 121.881 121.223 -0.177 0.000 2.046 46 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 46 L C 2.510 179.378 176.870 -0.003 0.000 1.077 46 L CA 1.833 56.606 54.840 -0.112 0.000 0.747 46 L CB -0.653 41.313 42.059 -0.154 0.000 0.896 46 L HN 0.263 nan 8.230 nan 0.000 0.432 47 E N -0.355 119.826 120.200 -0.031 0.000 2.077 47 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 47 E C 2.206 178.819 176.600 0.022 0.000 0.989 47 E CA 1.587 57.982 56.400 -0.009 0.000 0.800 47 E CB -0.329 29.350 29.700 -0.034 0.000 0.746 47 E HN 0.446 nan 8.360 nan 0.000 0.452 48 L N 0.435 121.670 121.223 0.021 0.000 2.046 48 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 48 L C 2.288 179.223 176.870 0.109 0.000 1.077 48 L CA 1.655 56.514 54.840 0.032 0.000 0.747 48 L CB -0.960 41.106 42.059 0.011 0.000 0.896 48 L HN 0.116 nan 8.230 nan 0.000 0.432 49 Y N 0.086 120.386 120.300 0.000 0.000 2.165 49 Y HA -0.271 4.279 4.550 -0.001 0.000 0.286 49 Y C 2.576 178.569 175.900 0.154 0.000 1.155 49 Y CA 1.871 60.056 58.100 0.143 0.000 1.164 49 Y CB -0.641 37.903 38.460 0.140 0.000 0.978 49 Y HN 0.368 nan 8.280 nan 0.000 0.513 50 D N -0.530 119.981 120.400 0.184 0.000 2.144 50 D HA -0.133 4.507 4.640 -0.001 0.000 0.199 50 D C 2.088 178.426 176.300 0.063 0.000 0.984 50 D CA 1.285 55.347 54.000 0.103 0.000 0.834 50 D CB 0.025 40.862 40.800 0.060 0.000 0.955 50 D HN 0.232 nan 8.370 nan 0.000 0.465 51 R N -1.160 119.358 120.500 0.030 0.000 2.127 51 R HA 0.199 4.539 4.340 -0.001 0.000 0.217 51 R C 0.832 177.105 176.300 -0.046 0.000 1.074 51 R CA 0.100 56.194 56.100 -0.010 0.000 0.991 51 R CB 0.100 30.381 30.300 -0.032 0.000 0.895 51 R HN 0.202 nan 8.270 nan 0.000 0.450 52 M N 0.045 119.583 119.600 -0.104 0.000 2.243 52 M HA -0.002 4.477 4.480 -0.001 0.000 0.341 52 M C 0.957 177.171 176.300 -0.144 0.000 1.130 52 M CA 0.363 55.497 55.300 -0.276 0.000 1.162 52 M CB 1.507 33.663 32.600 -0.741 0.000 1.497 52 M HN -0.014 nan 8.290 nan 0.000 0.456 53 S N 1.112 116.720 115.700 -0.153 0.000 2.486 53 S HA 0.128 4.597 4.470 -0.001 0.000 0.220 53 S C 0.271 174.974 174.600 0.172 0.000 1.011 53 S CA -0.016 58.198 58.200 0.024 0.000 0.921 53 S CB -0.072 63.122 63.200 -0.010 0.000 0.785 53 S HN 0.732 nan 8.310 nan 0.000 0.517 54 F N 0.911 120.793 119.950 -0.114 0.000 3.084 54 F HA -0.193 4.334 4.527 -0.001 0.000 0.286 54 F C 0.211 176.028 175.800 0.029 0.000 0.855 54 F CA 0.199 58.140 58.000 -0.099 0.000 1.091 54 F CB -1.578 37.339 39.000 -0.140 0.000 1.177 54 F HN -0.009 nan 8.300 nan 0.000 0.542 55 K N 1.132 121.615 120.400 0.138 0.000 2.401 55 K HA 0.141 4.460 4.320 -0.001 0.000 0.278 55 K C 0.308 177.023 176.600 0.192 0.000 1.018 55 K CA -0.056 56.316 56.287 0.142 0.000 0.981 55 K CB 0.506 33.050 32.500 0.073 0.000 0.933 55 K HN 0.082 nan 8.250 nan 0.000 0.477 56 D N 3.231 123.754 120.400 0.205 0.000 2.557 56 D HA 0.176 4.816 4.640 -0.001 0.000 0.236 56 D C -0.371 175.976 176.300 0.078 0.000 1.154 56 D CA -0.554 53.572 54.000 0.210 0.000 0.985 56 D CB -0.619 40.315 40.800 0.222 0.000 1.010 56 D HN 0.473 nan 8.370 nan 0.000 0.516 57 I N -1.428 119.175 120.570 0.055 0.000 2.577 57 I HA 0.479 4.648 4.170 -0.001 0.000 0.305 57 I C 0.166 176.273 176.117 -0.017 0.000 0.986 57 I CA -0.907 60.403 61.300 0.016 0.000 1.189 57 I CB 1.325 39.335 38.000 0.016 0.000 1.355 57 I HN -0.153 nan 8.210 nan 0.000 0.476 58 D N 4.237 124.626 120.400 -0.020 0.000 2.349 58 D HA 0.129 4.769 4.640 -0.001 0.000 0.266 58 D C 1.083 177.367 176.300 -0.027 0.000 1.293 58 D CA 0.248 54.230 54.000 -0.030 0.000 0.926 58 D CB 1.303 42.093 40.800 -0.017 0.000 1.090 58 D HN 0.841 nan 8.370 nan 0.000 0.502 59 G N 2.508 111.273 108.800 -0.058 0.000 2.920 59 G HA2 0.394 4.353 3.960 -0.001 0.000 0.208 59 G HA3 0.394 4.353 3.960 -0.001 0.000 0.208 59 G C 0.923 175.819 174.900 -0.007 0.000 1.159 59 G CA 0.394 45.462 45.100 -0.053 0.000 0.784 59 G HN 0.910 nan 8.290 nan 0.000 0.535 60 G N -0.605 108.196 108.800 0.002 0.000 2.475 60 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.223 60 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.223 60 G C 1.215 176.130 174.900 0.025 0.000 1.201 60 G CA 0.806 45.918 45.100 0.021 0.000 0.962 60 G HN 1.109 nan 8.290 nan 0.000 0.586 61 V N -3.603 116.325 119.914 0.024 0.000 2.407 61 V HA 0.083 4.202 4.120 -0.001 0.000 0.248 61 V C 1.478 177.592 176.094 0.033 0.000 1.055 61 V CA 2.425 64.721 62.300 -0.008 0.000 1.049 61 V CB -0.577 31.209 31.823 -0.062 0.000 0.662 61 V HN 1.403 nan 8.190 nan 0.000 0.455 62 W N 2.635 123.836 121.300 -0.166 0.000 2.365 62 W HA 0.428 5.088 4.660 -0.001 0.000 0.371 62 W C 1.154 177.626 176.519 -0.078 0.000 1.006 62 W CA -1.741 55.497 57.345 -0.179 0.000 1.528 62 W CB 0.208 29.524 29.460 -0.239 0.000 1.497 62 W HN 0.058 nan 8.180 nan 0.000 0.367 63 K N 2.608 123.084 120.400 0.125 0.000 2.147 63 K HA -0.165 4.155 4.320 -0.001 0.000 0.205 63 K C 0.862 177.376 176.600 -0.145 0.000 1.049 63 K CA 1.400 57.671 56.287 -0.027 0.000 0.936 63 K CB 0.189 32.670 32.500 -0.031 0.000 0.722 63 K HN 0.557 nan 8.250 nan 0.000 0.446 64 Q N -0.726 118.951 119.800 -0.206 0.000 2.198 64 Q HA 0.144 4.483 4.340 -0.001 0.000 0.209 64 Q C 0.817 176.457 176.000 -0.599 0.000 0.848 64 Q CA -0.329 55.333 55.803 -0.235 0.000 0.974 64 Q CB 1.282 30.020 28.738 0.001 0.000 1.115 64 Q HN 0.216 nan 8.270 nan 0.000 0.494 65 G N 0.619 108.645 108.800 -1.290 0.000 3.364 65 G HA2 0.522 4.481 3.960 -0.001 0.000 0.191 65 G HA3 0.522 4.481 3.960 -0.001 0.000 0.191 65 G C -1.411 173.180 174.900 -0.514 0.000 1.352 65 G CA -0.287 43.758 45.100 -1.760 0.000 0.758 65 G HN 0.359 nan 8.290 nan 0.000 0.730 66 W N -1.427 119.587 121.300 -0.477 0.000 2.959 66 W HA 0.618 5.278 4.660 -0.000 0.000 0.358 66 W C -1.494 175.105 176.519 0.134 0.000 1.228 66 W CA -1.164 56.122 57.345 -0.097 0.000 1.183 66 W CB 0.612 30.034 29.460 -0.065 0.000 1.467 66 W HN 0.189 nan 8.180 nan 0.000 0.578 67 N N 2.155 121.000 118.700 0.241 0.000 2.402 67 N HA 0.211 4.951 4.740 -0.001 0.000 0.259 67 N C -0.277 175.363 175.510 0.217 0.000 1.167 67 N CA 0.072 53.218 53.050 0.161 0.000 0.949 67 N CB 0.310 38.897 38.487 0.166 0.000 1.212 67 N HN 0.409 nan 8.380 nan 0.000 0.493 68 I N 1.977 122.579 120.570 0.053 0.000 2.588 68 I HA 0.013 4.183 4.170 -0.001 0.000 0.283 68 I C 0.868 177.146 176.117 0.268 0.000 1.119 68 I CA 0.314 61.725 61.300 0.185 0.000 1.419 68 I CB 0.514 38.575 38.000 0.100 0.000 1.394 68 I HN 0.121 nan 8.210 nan 0.000 0.562 69 K N 5.844 126.437 120.400 0.322 0.000 2.259 69 K HA 0.586 4.906 4.320 -0.001 0.000 0.249 69 K C -1.322 175.442 176.600 0.273 0.000 0.942 69 K CA -0.674 55.732 56.287 0.199 0.000 0.816 69 K CB 2.208 34.791 32.500 0.139 0.000 1.155 69 K HN 0.479 nan 8.250 nan 0.000 0.428 70 Y N -1.923 118.468 120.300 0.151 0.000 2.581 70 Y HA 0.444 4.993 4.550 -0.001 0.000 0.345 70 Y C -1.024 174.949 175.900 0.123 0.000 1.036 70 Y CA -1.542 56.648 58.100 0.151 0.000 1.042 70 Y CB 1.137 39.706 38.460 0.181 0.000 1.289 70 Y HN 0.373 nan 8.280 nan 0.000 0.471 71 D N 2.846 123.403 120.400 0.261 0.000 2.347 71 D HA 0.329 4.969 4.640 -0.001 0.000 0.235 71 D C -1.886 174.587 176.300 0.290 0.000 1.149 71 D CA -2.606 51.493 54.000 0.164 0.000 0.850 71 D CB 1.635 42.503 40.800 0.113 0.000 1.061 71 D HN 0.373 nan 8.370 nan 0.000 0.487 72 P HA -0.086 nan 4.420 nan 0.000 0.219 72 P C 1.321 178.768 177.300 0.246 0.000 1.146 72 P CA 0.832 64.131 63.100 0.332 0.000 0.808 72 P CB 0.211 32.040 31.700 0.214 0.000 0.779 73 L N -0.885 120.432 121.223 0.156 0.000 2.610 73 L HA 0.037 4.377 4.340 -0.001 0.000 0.232 73 L C 2.396 179.308 176.870 0.071 0.000 1.149 73 L CA 0.561 55.467 54.840 0.110 0.000 0.872 73 L CB -0.637 41.465 42.059 0.071 0.000 0.992 73 L HN -0.018 nan 8.230 nan 0.000 0.447 74 K N 0.332 120.759 120.400 0.045 0.000 2.097 74 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 74 K C -0.104 176.350 176.600 -0.243 0.000 1.049 74 K CA 1.086 57.284 56.287 -0.148 0.000 0.933 74 K CB 0.119 32.468 32.500 -0.252 0.000 0.717 74 K HN 0.065 nan 8.250 nan 0.000 0.442 75 Y N 0.867 121.289 120.300 0.204 0.000 2.342 75 Y HA 0.250 4.800 4.550 -0.000 0.000 0.334 75 Y C -0.075 175.910 175.900 0.142 0.000 1.067 75 Y CA -1.009 57.202 58.100 0.185 0.000 1.128 75 Y CB 1.432 39.951 38.460 0.098 0.000 1.200 75 Y HN 0.271 nan 8.280 nan 0.000 0.464 76 N N -0.498 118.364 118.700 0.269 0.000 3.243 76 N HA 0.533 5.273 4.740 -0.001 0.000 0.280 76 N C 0.034 175.595 175.510 0.085 0.000 1.545 76 N CA -0.437 52.706 53.050 0.156 0.000 0.854 76 N CB 0.406 38.978 38.487 0.142 0.000 1.612 76 N HN 0.433 nan 8.380 nan 0.000 0.577 77 A N -1.246 121.549 122.820 -0.042 0.000 2.024 77 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 77 A C 0.976 178.402 177.584 -0.262 0.000 1.164 77 A CA 1.266 53.184 52.037 -0.198 0.000 0.643 77 A CB -1.051 17.749 19.000 -0.333 0.000 0.806 77 A HN 0.694 nan 8.150 nan 0.000 0.451 78 H N -2.892 116.235 119.070 0.095 0.000 2.575 78 H HA 0.119 4.675 4.556 -0.001 0.000 0.267 78 H C -0.269 175.164 175.328 0.174 0.000 0.966 78 H CA 0.825 56.934 56.048 0.101 0.000 1.165 78 H CB 0.155 29.964 29.762 0.078 0.000 1.433 78 H HN 0.726 nan 8.280 nan 0.000 0.544 79 H N 0.553 119.710 119.070 0.146 0.000 2.699 79 H HA 0.290 4.846 4.556 -0.000 0.000 0.256 79 H C -0.743 174.737 175.328 0.254 0.000 1.376 79 H CA -0.460 55.687 56.048 0.165 0.000 1.549 79 H CB 0.231 30.070 29.762 0.128 0.000 1.686 79 H HN -0.066 nan 8.280 nan 0.000 0.550 80 K N 1.973 122.362 120.400 -0.019 0.000 2.090 80 K HA 0.309 4.628 4.320 -0.001 0.000 0.250 80 K C -0.692 175.751 176.600 -0.261 0.000 1.004 80 K CA -1.198 55.053 56.287 -0.060 0.000 0.919 80 K CB 1.458 33.898 32.500 -0.100 0.000 1.045 80 K HN 0.248 nan 8.250 nan 0.000 0.471 81 L N 2.360 123.272 121.223 -0.518 0.000 2.265 81 L HA 0.178 4.517 4.340 -0.001 0.000 0.288 81 L C -0.855 175.733 176.870 -0.471 0.000 1.058 81 L CA 0.057 54.448 54.840 -0.747 0.000 0.809 81 L CB 0.391 41.796 42.059 -1.089 0.000 1.179 81 L HN 0.280 nan 8.230 nan 0.000 0.429 82 K N 4.971 125.124 120.400 -0.412 0.000 2.253 82 K HA 0.435 4.755 4.320 -0.001 0.000 0.277 82 K C -1.145 175.102 176.600 -0.588 0.000 1.053 82 K CA -0.396 55.606 56.287 -0.476 0.000 0.892 82 K CB 1.642 33.912 32.500 -0.383 0.000 1.102 82 K HN 0.420 nan 8.250 nan 0.000 0.469 83 V N 4.956 124.411 119.914 -0.766 0.000 2.384 83 V HA 0.391 4.510 4.120 -0.001 0.000 0.287 83 V C -0.672 174.880 176.094 -0.903 0.000 1.020 83 V CA -0.803 60.998 62.300 -0.832 0.000 0.850 83 V CB 0.766 31.906 31.823 -1.138 0.000 0.987 83 V HN 0.465 nan 8.190 nan 0.000 0.436 84 F N 3.806 123.497 119.950 -0.432 0.000 2.361 84 F HA 0.500 5.027 4.527 -0.001 0.000 0.364 84 F C 0.187 175.799 175.800 -0.312 0.000 1.117 84 F CA -0.692 57.113 58.000 -0.325 0.000 1.071 84 F CB 1.775 40.654 39.000 -0.202 0.000 1.188 84 F HN 0.177 nan 8.300 nan 0.000 0.464 85 V N 5.151 125.026 119.914 -0.064 0.000 2.385 85 V HA 0.306 4.425 4.120 -0.001 0.000 0.269 85 V C -0.240 175.956 176.094 0.170 0.000 1.043 85 V CA -0.619 61.707 62.300 0.044 0.000 0.906 85 V CB 1.248 33.160 31.823 0.149 0.000 0.995 85 V HN 0.433 nan 8.190 nan 0.000 0.467 86 V N 8.188 128.147 119.914 0.076 0.000 2.275 86 V HA 0.312 4.432 4.120 -0.001 0.000 0.272 86 V C -2.392 173.733 176.094 0.051 0.000 1.028 86 V CA -1.978 60.332 62.300 0.016 0.000 0.810 86 V CB 1.353 33.089 31.823 -0.144 0.000 1.043 86 V HN 0.718 nan 8.190 nan 0.000 0.453 87 P HA 0.309 nan 4.420 nan 0.000 0.271 87 P C -0.803 176.493 177.300 -0.006 0.000 1.216 87 P CA 0.314 63.384 63.100 -0.049 0.000 0.771 87 P CB 0.316 31.808 31.700 -0.346 0.000 0.864 88 H N -0.986 118.080 119.070 -0.007 0.000 2.990 88 H HA 0.797 5.352 4.556 -0.001 0.000 0.336 88 H C -1.501 173.944 175.328 0.194 0.000 1.306 88 H CA -1.123 54.825 56.048 -0.167 0.000 1.118 88 H CB 0.997 30.597 29.762 -0.269 0.000 1.856 88 H HN 0.199 nan 8.280 nan 0.000 0.538 89 S N 0.683 116.412 115.700 0.047 0.000 2.720 89 S HA 0.212 4.682 4.470 -0.001 0.000 0.278 89 S C -1.865 172.677 174.600 -0.096 0.000 1.172 89 S CA -0.671 57.602 58.200 0.121 0.000 1.019 89 S CB 0.237 63.694 63.200 0.428 0.000 1.049 89 S HN 0.849 nan 8.310 nan 0.000 0.483 90 H N 4.380 123.364 119.070 -0.144 0.000 2.800 90 H HA 0.439 4.995 4.556 -0.001 0.000 0.291 90 H C -0.155 174.778 175.328 -0.659 0.000 1.076 90 H CA 0.284 56.156 56.048 -0.294 0.000 1.452 90 H CB 0.263 29.917 29.762 -0.179 0.000 1.461 90 H HN 0.564 nan 8.280 nan 0.000 0.488 91 N N 5.578 123.633 118.700 -1.076 0.000 2.564 91 N HA 0.063 4.802 4.740 -0.001 0.000 0.248 91 N C -1.211 173.850 175.510 -0.748 0.000 0.986 91 N CA -0.614 51.664 53.050 -1.287 0.000 0.921 91 N CB 1.134 39.168 38.487 -0.754 0.000 1.136 91 N HN 0.667 nan 8.380 nan 0.000 0.509 92 D N 2.660 122.646 120.400 -0.690 0.000 2.371 92 D HA 0.093 4.732 4.640 -0.001 0.000 0.256 92 D C -2.084 174.299 176.300 0.139 0.000 1.193 92 D CA -0.814 53.065 54.000 -0.203 0.000 0.881 92 D CB 1.392 42.312 40.800 0.200 0.000 1.143 92 D HN 0.180 nan 8.370 nan 0.000 0.473 93 P HA 0.159 nan 4.420 nan 0.000 0.231 93 P C 0.010 177.509 177.300 0.332 0.000 1.756 93 P CA 0.136 63.270 63.100 0.058 0.000 0.990 93 P CB 0.111 31.700 31.700 -0.184 0.000 1.973 94 G N 0.148 109.319 108.800 0.619 0.000 3.067 94 G HA2 0.000 3.960 3.960 -0.001 0.000 0.686 94 G HA3 0.000 3.960 3.960 -0.001 0.000 0.686 94 G C -1.056 174.369 174.900 0.875 0.000 1.119 94 G CA -0.676 44.809 45.100 0.641 0.000 0.790 94 G HN 0.350 nan 8.290 nan 0.000 0.605 95 W N 2.504 124.154 121.300 0.583 0.000 4.518 95 W HA 0.313 4.973 4.660 -0.001 0.000 0.160 95 W C 1.075 177.777 176.519 0.305 0.000 3.470 95 W CA 0.975 58.622 57.345 0.504 0.000 1.183 95 W CB -0.734 29.103 29.460 0.627 0.000 2.083 95 W HN 0.486 nan 8.180 nan 0.000 0.403 96 I N 1.812 122.380 120.570 -0.004 0.000 2.584 96 I HA 0.108 4.277 4.170 -0.001 0.000 0.255 96 I C 0.530 176.528 176.117 -0.198 0.000 1.145 96 I CA 1.136 62.263 61.300 -0.288 0.000 1.462 96 I CB -1.254 36.552 38.000 -0.324 0.000 1.102 96 I HN 0.087 nan 8.210 nan 0.000 0.433 97 Q N 0.139 119.655 119.800 -0.473 0.000 2.359 97 Q HA 0.360 4.699 4.340 -0.001 0.000 0.275 97 Q C 0.221 175.968 176.000 -0.422 0.000 1.082 97 Q CA -0.620 54.855 55.803 -0.547 0.000 0.849 97 Q CB 1.904 30.056 28.738 -0.976 0.000 1.377 97 Q HN 0.268 nan 8.270 nan 0.000 0.452 98 T N -2.048 112.361 114.554 -0.241 0.000 2.748 98 T HA 0.051 4.401 4.350 -0.001 0.000 0.304 98 T C 0.812 175.588 174.700 0.126 0.000 1.041 98 T CA -0.395 61.643 62.100 -0.103 0.000 1.033 98 T CB 0.266 69.102 68.868 -0.053 0.000 0.995 98 T HN 0.570 nan 8.240 nan 0.000 0.536 99 F N 1.210 121.218 119.950 0.098 0.000 2.063 99 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 99 F C 2.481 178.458 175.800 0.294 0.000 1.109 99 F CA 2.424 60.557 58.000 0.223 0.000 1.212 99 F CB -0.369 38.654 39.000 0.038 0.000 0.973 99 F HN 0.786 nan 8.300 nan 0.000 0.480 100 E N 0.305 120.693 120.200 0.314 0.000 2.152 100 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 100 E C 1.983 178.619 176.600 0.060 0.000 0.983 100 E CA 1.643 58.172 56.400 0.215 0.000 0.818 100 E CB -0.263 29.570 29.700 0.222 0.000 0.758 100 E HN 0.622 nan 8.360 nan 0.000 0.467 101 E N -0.945 119.232 120.200 -0.039 0.000 2.051 101 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 101 E C 1.817 178.225 176.600 -0.319 0.000 0.991 101 E CA 1.163 57.388 56.400 -0.291 0.000 0.799 101 E CB -0.266 29.324 29.700 -0.185 0.000 0.748 101 E HN 0.333 nan 8.360 nan 0.000 0.449 102 Y N -0.373 119.878 120.300 -0.082 0.000 2.181 102 Y HA -0.259 4.290 4.550 -0.001 0.000 0.288 102 Y C 2.227 178.055 175.900 -0.120 0.000 1.146 102 Y CA 1.191 59.229 58.100 -0.103 0.000 1.164 102 Y CB -0.778 37.707 38.460 0.043 0.000 0.982 102 Y HN 0.189 nan 8.280 nan 0.000 0.515 103 Y N 0.916 121.218 120.300 0.004 0.000 2.128 103 Y HA -0.290 4.260 4.550 -0.001 0.000 0.284 103 Y C 2.287 178.139 175.900 -0.079 0.000 1.154 103 Y CA 1.944 59.997 58.100 -0.078 0.000 1.149 103 Y CB -0.392 38.009 38.460 -0.099 0.000 0.976 103 Y HN 0.065 nan 8.280 nan 0.000 0.505 104 Q N -0.681 118.992 119.800 -0.211 0.000 2.119 104 Q HA -0.170 4.170 4.340 -0.001 0.000 0.201 104 Q C 2.086 178.044 176.000 -0.070 0.000 0.972 104 Q CA 2.144 57.801 55.803 -0.243 0.000 0.847 104 Q CB -0.537 28.100 28.738 -0.168 0.000 0.903 104 Q HN 0.780 nan 8.270 nan 0.000 0.433 105 H N -0.824 118.257 119.070 0.018 0.000 2.465 105 H HA 0.059 4.614 4.556 -0.001 0.000 0.289 105 H C 0.916 176.339 175.328 0.159 0.000 1.022 105 H CA 0.569 56.668 56.048 0.084 0.000 1.340 105 H CB 0.701 30.477 29.762 0.023 0.000 1.437 105 H HN 0.189 nan 8.280 nan 0.000 0.539 106 D N -1.062 119.450 120.400 0.186 0.000 3.081 106 D HA 0.010 4.650 4.640 -0.001 0.000 0.243 106 D C 1.736 178.093 176.300 0.095 0.000 1.388 106 D CA 0.523 54.622 54.000 0.166 0.000 1.245 106 D CB -0.016 40.797 40.800 0.021 0.000 1.319 106 D HN 0.052 nan 8.370 nan 0.000 0.377 107 T N 2.518 117.044 114.554 -0.046 0.000 2.788 107 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 107 T C 1.931 176.470 174.700 -0.268 0.000 1.044 107 T CA 1.421 63.455 62.100 -0.110 0.000 1.139 107 T CB -0.073 68.560 68.868 -0.391 0.000 0.867 107 T HN 0.248 nan 8.240 nan 0.000 0.454 108 K N 0.746 120.800 120.400 -0.575 0.000 2.148 108 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 108 K C 1.902 178.258 176.600 -0.407 0.000 1.050 108 K CA 1.381 57.319 56.287 -0.580 0.000 0.942 108 K CB -0.359 31.572 32.500 -0.947 0.000 0.724 108 K HN 0.406 nan 8.250 nan 0.000 0.446 109 H N 1.076 120.082 119.070 -0.107 0.000 2.372 109 H HA 0.063 4.618 4.556 -0.001 0.000 0.301 109 H C 2.327 177.661 175.328 0.011 0.000 1.065 109 H CA 1.352 57.391 56.048 -0.015 0.000 1.364 109 H CB -0.185 29.591 29.762 0.023 0.000 1.406 109 H HN 0.170 nan 8.280 nan 0.000 0.521 110 I N 0.847 121.505 120.570 0.146 0.000 2.127 110 I HA -0.291 3.879 4.170 -0.001 0.000 0.241 110 I C 2.492 178.625 176.117 0.026 0.000 1.075 110 I CA 1.205 62.634 61.300 0.215 0.000 1.334 110 I CB -0.319 37.880 38.000 0.330 0.000 1.040 110 I HN 0.093 nan 8.210 nan 0.000 0.405 111 L N -0.410 120.607 121.223 -0.344 0.000 2.093 111 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 111 L C 2.741 179.256 176.870 -0.592 0.000 1.085 111 L CA 1.313 55.688 54.840 -0.776 0.000 0.755 111 L CB -0.520 40.477 42.059 -1.770 0.000 0.904 111 L HN 0.253 nan 8.230 nan 0.000 0.435 112 S N 0.120 115.614 115.700 -0.343 0.000 2.368 112 S HA -0.153 4.316 4.470 -0.001 0.000 0.225 112 S C 1.806 176.378 174.600 -0.045 0.000 1.030 112 S CA 1.511 59.745 58.200 0.057 0.000 0.999 112 S CB -0.159 63.145 63.200 0.174 0.000 0.844 112 S HN 0.440 nan 8.310 nan 0.000 0.459 113 N N 1.549 120.209 118.700 -0.067 0.000 2.331 113 N HA 0.120 4.860 4.740 -0.001 0.000 0.180 113 N C 1.813 176.951 175.510 -0.621 0.000 1.019 113 N CA 1.077 54.010 53.050 -0.196 0.000 0.881 113 N CB -0.755 37.738 38.487 0.010 0.000 0.972 113 N HN 0.498 nan 8.380 nan 0.000 0.435 114 A N 1.253 123.779 122.820 -0.490 0.000 1.877 114 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 114 A C 2.201 179.489 177.584 -0.494 0.000 1.186 114 A CA 0.982 52.567 52.037 -0.753 0.000 0.620 114 A CB -0.781 18.048 19.000 -0.284 0.000 0.822 114 A HN 0.222 nan 8.150 nan 0.000 0.443 115 L N 0.197 121.284 121.223 -0.226 0.000 2.012 115 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 115 L C 2.507 179.306 176.870 -0.119 0.000 1.073 115 L CA 2.670 57.461 54.840 -0.082 0.000 0.748 115 L CB -0.684 41.404 42.059 0.048 0.000 0.891 115 L HN 0.519 nan 8.230 nan 0.000 0.431 116 R N -1.781 118.617 120.500 -0.169 0.000 2.073 116 R HA -0.211 4.129 4.340 -0.001 0.000 0.234 116 R C 2.501 178.705 176.300 -0.160 0.000 1.134 116 R CA 1.670 57.688 56.100 -0.138 0.000 0.952 116 R CB -0.680 29.548 30.300 -0.119 0.000 0.850 116 R HN 0.592 nan 8.270 nan 0.000 0.433 117 H N 0.541 119.324 119.070 -0.479 0.000 2.357 117 H HA -0.054 4.501 4.556 -0.001 0.000 0.301 117 H C 2.183 177.295 175.328 -0.360 0.000 1.082 117 H CA 1.872 57.612 56.048 -0.513 0.000 1.342 117 H CB 0.114 29.276 29.762 -1.001 0.000 1.389 117 H HN 0.223 nan 8.280 nan 0.000 0.511 118 L N -0.289 120.753 121.223 -0.302 0.000 2.093 118 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 118 L C 2.793 179.616 176.870 -0.078 0.000 1.085 118 L CA 1.054 55.798 54.840 -0.160 0.000 0.755 118 L CB -0.743 41.246 42.059 -0.116 0.000 0.904 118 L HN 0.403 nan 8.230 nan 0.000 0.435 119 H N 0.741 119.728 119.070 -0.137 0.000 2.352 119 H HA -0.201 4.355 4.556 -0.001 0.000 0.299 119 H C 1.230 176.497 175.328 -0.101 0.000 1.097 119 H CA 2.052 58.047 56.048 -0.089 0.000 1.311 119 H CB 0.226 29.945 29.762 -0.071 0.000 1.377 119 H HN 0.326 nan 8.280 nan 0.000 0.504 120 D N 0.143 120.500 120.400 -0.073 0.000 2.347 120 D HA -0.013 4.627 4.640 -0.001 0.000 0.213 120 D C -0.084 176.105 176.300 -0.184 0.000 0.985 120 D CA 0.457 54.377 54.000 -0.133 0.000 0.879 120 D CB -0.116 40.626 40.800 -0.097 0.000 0.919 120 D HN 0.409 nan 8.370 nan 0.000 0.526 121 N N 0.243 118.825 118.700 -0.196 0.000 2.716 121 N HA 0.184 4.924 4.740 -0.001 0.000 0.253 121 N C -2.229 173.241 175.510 -0.067 0.000 1.170 121 N CA -1.112 51.856 53.050 -0.136 0.000 0.807 121 N CB 2.248 40.623 38.487 -0.187 0.000 1.183 121 N HN -0.210 nan 8.380 nan 0.000 0.524 122 P HA -0.156 nan 4.420 nan 0.000 0.221 122 P C 0.658 177.974 177.300 0.026 0.000 1.145 122 P CA 1.152 64.234 63.100 -0.029 0.000 0.795 122 P CB 0.402 32.082 31.700 -0.034 0.000 0.775 123 E N -1.752 118.492 120.200 0.073 0.000 2.447 123 E HA 0.065 4.415 4.350 -0.001 0.000 0.195 123 E C 0.797 177.526 176.600 0.214 0.000 1.028 123 E CA 0.049 56.541 56.400 0.152 0.000 0.876 123 E CB -0.313 29.509 29.700 0.202 0.000 0.885 123 E HN 0.252 nan 8.360 nan 0.000 0.500 124 M N 1.580 121.244 119.600 0.107 0.000 2.242 124 M HA 0.106 4.586 4.480 -0.001 0.000 0.344 124 M C -0.291 175.998 176.300 -0.019 0.000 1.140 124 M CA 0.196 55.471 55.300 -0.042 0.000 1.160 124 M CB 0.493 33.080 32.600 -0.022 0.000 1.491 124 M HN -0.347 nan 8.290 nan 0.000 0.459 125 K N 3.056 123.408 120.400 -0.079 0.000 2.444 125 K HA 0.658 4.978 4.320 -0.001 0.000 0.252 125 K C -1.713 174.935 176.600 0.080 0.000 0.993 125 K CA -0.541 55.758 56.287 0.019 0.000 0.847 125 K CB 2.317 34.852 32.500 0.058 0.000 1.340 125 K HN 0.659 nan 8.250 nan 0.000 0.446 126 F N 1.436 121.308 119.950 -0.129 0.000 2.672 126 F HA 0.413 4.939 4.527 -0.001 0.000 0.311 126 F C -1.523 174.177 175.800 -0.166 0.000 1.113 126 F CA -1.265 56.648 58.000 -0.144 0.000 0.996 126 F CB 1.021 40.016 39.000 -0.008 0.000 1.286 126 F HN 0.450 nan 8.300 nan 0.000 0.441 127 I N 2.047 122.280 120.570 -0.561 0.000 2.493 127 I HA 0.579 4.749 4.170 -0.001 0.000 0.298 127 I C -1.684 174.003 176.117 -0.716 0.000 0.998 127 I CA -0.568 60.363 61.300 -0.614 0.000 1.137 127 I CB 2.330 39.912 38.000 -0.697 0.000 1.310 127 I HN 0.685 nan 8.210 nan 0.000 0.445 128 W N 5.092 126.007 121.300 -0.641 0.000 2.839 128 W HA 0.641 5.301 4.660 -0.001 0.000 0.334 128 W C -0.651 175.806 176.519 -0.103 0.000 1.064 128 W CA -0.560 56.549 57.345 -0.393 0.000 1.236 128 W CB 2.674 31.975 29.460 -0.265 0.000 1.405 128 W HN 0.794 nan 8.180 nan 0.000 0.478 129 A N 3.483 125.952 122.820 -0.585 0.000 1.984 129 A HA 0.146 4.465 4.320 -0.001 0.000 0.203 129 A C -0.007 177.536 177.584 -0.069 0.000 1.292 129 A CA 0.506 52.428 52.037 -0.192 0.000 0.782 129 A CB -0.023 18.919 19.000 -0.096 0.000 0.924 129 A HN 0.520 nan 8.150 nan 0.000 0.475 130 E N 1.017 121.066 120.200 -0.251 0.000 2.001 130 E HA 0.309 4.658 4.350 -0.001 0.000 0.279 130 E C 0.434 177.204 176.600 0.283 0.000 1.045 130 E CA -0.292 56.127 56.400 0.031 0.000 0.833 130 E CB 0.759 30.472 29.700 0.022 0.000 1.077 130 E HN 0.278 nan 8.360 nan 0.000 0.397 131 I N 1.489 122.126 120.570 0.112 0.000 2.546 131 I HA -0.209 3.961 4.170 -0.001 0.000 0.255 131 I C 2.003 177.797 176.117 -0.537 0.000 1.163 131 I CA 0.963 62.261 61.300 -0.004 0.000 1.457 131 I CB -1.397 36.650 38.000 0.078 0.000 1.092 131 I HN 0.419 nan 8.210 nan 0.000 0.434 132 S N 1.090 116.158 115.700 -1.054 0.000 2.365 132 S HA -0.274 4.195 4.470 -0.001 0.000 0.225 132 S C 2.148 176.409 174.600 -0.564 0.000 1.039 132 S CA 1.351 58.499 58.200 -1.752 0.000 1.033 132 S CB -1.044 61.204 63.200 -1.586 0.000 0.887 132 S HN 0.360 nan 8.310 nan 0.000 0.447 133 Y N 0.609 120.921 120.300 0.019 0.000 2.200 133 Y HA 0.136 4.685 4.550 -0.001 0.000 0.290 133 Y C 2.231 178.185 175.900 0.090 0.000 1.137 133 Y CA 0.339 58.553 58.100 0.190 0.000 1.163 133 Y CB -0.970 37.718 38.460 0.380 0.000 0.988 133 Y HN 0.335 nan 8.280 nan 0.000 0.518 134 F N -0.028 120.005 119.950 0.138 0.000 2.134 134 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 134 F C 2.360 178.010 175.800 -0.249 0.000 1.097 134 F CA 1.306 59.276 58.000 -0.050 0.000 1.264 134 F CB -0.520 38.447 39.000 -0.055 0.000 1.001 134 F HN -0.020 nan 8.300 nan 0.000 0.479 135 A N 0.279 122.739 122.820 -0.600 0.000 1.902 135 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 135 A C 2.168 179.585 177.584 -0.278 0.000 1.181 135 A CA 1.907 53.367 52.037 -0.962 0.000 0.623 135 A CB -0.817 17.424 19.000 -1.265 0.000 0.818 135 A HN 0.415 nan 8.150 nan 0.000 0.443 136 R N -1.118 119.257 120.500 -0.207 0.000 2.091 136 R HA -0.153 4.186 4.340 -0.001 0.000 0.238 136 R C 1.807 178.052 176.300 -0.092 0.000 1.136 136 R CA 2.105 58.106 56.100 -0.165 0.000 0.959 136 R CB -0.817 29.326 30.300 -0.262 0.000 0.856 136 R HN 0.484 nan 8.270 nan 0.000 0.437 137 F N -0.248 119.614 119.950 -0.146 0.000 2.084 137 F HA -0.144 4.382 4.527 -0.001 0.000 0.296 137 F C 1.976 177.727 175.800 -0.081 0.000 1.111 137 F CA 1.708 59.690 58.000 -0.030 0.000 1.224 137 F CB -0.754 38.170 39.000 -0.127 0.000 0.991 137 F HN 0.133 nan 8.300 nan 0.000 0.471 138 Y N -0.077 120.066 120.300 -0.261 0.000 2.181 138 Y HA -0.268 4.281 4.550 -0.001 0.000 0.288 138 Y C 2.733 178.566 175.900 -0.111 0.000 1.146 138 Y CA 2.320 60.308 58.100 -0.188 0.000 1.164 138 Y CB -0.965 37.597 38.460 0.170 0.000 0.982 138 Y HN 0.307 nan 8.280 nan 0.000 0.515 139 H N -0.451 118.631 119.070 0.021 0.000 2.421 139 H HA -0.129 4.427 4.556 -0.001 0.000 0.298 139 H C 1.403 176.632 175.328 -0.165 0.000 1.087 139 H CA 2.143 58.163 56.048 -0.048 0.000 1.330 139 H CB -0.200 29.575 29.762 0.023 0.000 1.388 139 H HN 0.303 nan 8.280 nan 0.000 0.526 140 D N -0.223 120.068 120.400 -0.181 0.000 2.347 140 D HA 0.036 4.676 4.640 -0.001 0.000 0.213 140 D C 0.185 176.273 176.300 -0.353 0.000 0.985 140 D CA 0.147 54.013 54.000 -0.223 0.000 0.879 140 D CB 0.036 40.771 40.800 -0.108 0.000 0.919 140 D HN 0.346 nan 8.370 nan 0.000 0.526 141 L N 0.737 121.655 121.223 -0.508 0.000 2.426 141 L HA 0.244 4.583 4.340 -0.001 0.000 0.271 141 L C 1.425 178.075 176.870 -0.366 0.000 1.169 141 L CA -0.506 54.038 54.840 -0.494 0.000 0.836 141 L CB 0.717 42.416 42.059 -0.601 0.000 1.112 141 L HN -0.019 nan 8.230 nan 0.000 0.465 142 G N 1.142 109.783 108.800 -0.264 0.000 2.614 142 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.239 142 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.239 142 G C 0.700 175.482 174.900 -0.196 0.000 1.240 142 G CA -0.290 44.691 45.100 -0.197 0.000 0.842 142 G HN 0.828 nan 8.290 nan 0.000 0.584 143 E N 0.241 120.354 120.200 -0.146 0.000 2.118 143 E HA -0.217 4.133 4.350 -0.001 0.000 0.195 143 E C 2.210 178.762 176.600 -0.080 0.000 0.992 143 E CA 1.660 57.994 56.400 -0.110 0.000 0.804 143 E CB -0.109 29.552 29.700 -0.066 0.000 0.741 143 E HN 0.597 nan 8.360 nan 0.000 0.458 144 N N 0.054 118.710 118.700 -0.073 0.000 2.120 144 N HA -0.182 4.557 4.740 -0.001 0.000 0.188 144 N C 1.365 176.841 175.510 -0.056 0.000 1.024 144 N CA 1.224 54.243 53.050 -0.052 0.000 0.852 144 N CB 0.041 38.496 38.487 -0.053 0.000 1.003 144 N HN 0.045 nan 8.380 nan 0.000 0.424 145 K N 1.190 121.535 120.400 -0.091 0.000 2.116 145 K HA 0.003 4.322 4.320 -0.001 0.000 0.203 145 K C 2.014 178.581 176.600 -0.054 0.000 1.052 145 K CA 0.506 56.742 56.287 -0.085 0.000 0.952 145 K CB -0.165 32.260 32.500 -0.124 0.000 0.729 145 K HN 0.293 nan 8.250 nan 0.000 0.446 146 K N 0.952 121.268 120.400 -0.140 0.000 2.044 146 K HA -0.109 4.211 4.320 -0.001 0.000 0.210 146 K C 2.263 178.946 176.600 0.138 0.000 1.049 146 K CA 1.245 57.467 56.287 -0.109 0.000 0.927 146 K CB -0.268 32.056 32.500 -0.292 0.000 0.713 146 K HN 0.039 nan 8.250 nan 0.000 0.443 147 L N 1.048 122.317 121.223 0.078 0.000 2.046 147 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 147 L C 2.602 179.547 176.870 0.125 0.000 1.077 147 L CA 1.324 56.229 54.840 0.108 0.000 0.747 147 L CB -0.391 41.706 42.059 0.064 0.000 0.896 147 L HN 0.274 nan 8.230 nan 0.000 0.432 148 Q N -0.924 118.934 119.800 0.097 0.000 2.084 148 Q HA -0.263 4.076 4.340 -0.001 0.000 0.202 148 Q C 2.211 178.315 176.000 0.172 0.000 0.978 148 Q CA 1.710 57.584 55.803 0.118 0.000 0.844 148 Q CB -0.187 28.573 28.738 0.036 0.000 0.898 148 Q HN 0.377 nan 8.270 nan 0.000 0.426 149 M N 1.196 120.928 119.600 0.218 0.000 2.086 149 M HA -0.151 4.329 4.480 -0.001 0.000 0.261 149 M C 1.629 178.129 176.300 0.333 0.000 1.067 149 M CA 1.756 57.252 55.300 0.327 0.000 1.116 149 M CB 0.011 32.908 32.600 0.495 0.000 1.348 149 M HN -0.104 nan 8.290 nan 0.000 0.407 150 K N -0.950 119.648 120.400 0.330 0.000 2.152 150 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 150 K C 2.280 178.985 176.600 0.176 0.000 1.048 150 K CA 1.587 58.030 56.287 0.259 0.000 0.933 150 K CB -0.437 32.201 32.500 0.230 0.000 0.721 150 K HN 0.437 nan 8.250 nan 0.000 0.447 151 S N 1.472 117.265 115.700 0.156 0.000 2.371 151 S HA -0.073 4.397 4.470 -0.001 0.000 0.224 151 S C 1.956 176.614 174.600 0.097 0.000 1.029 151 S CA 0.889 59.156 58.200 0.112 0.000 0.978 151 S CB -0.194 63.070 63.200 0.107 0.000 0.833 151 S HN 0.390 nan 8.310 nan 0.000 0.466 152 I N -0.788 119.851 120.570 0.114 0.000 2.676 152 I HA 0.060 4.230 4.170 -0.001 0.000 0.259 152 I C 1.843 177.994 176.117 0.058 0.000 1.194 152 I CA 0.678 62.025 61.300 0.078 0.000 1.473 152 I CB -0.348 37.699 38.000 0.079 0.000 1.096 152 I HN 0.093 nan 8.210 nan 0.000 0.443 153 V N 1.504 121.472 119.914 0.090 0.000 2.346 153 V HA -0.187 3.932 4.120 -0.001 0.000 0.244 153 V C 2.709 178.839 176.094 0.059 0.000 1.037 153 V CA 1.982 64.320 62.300 0.063 0.000 1.029 153 V CB -0.738 31.185 31.823 0.166 0.000 0.663 153 V HN 0.423 nan 8.190 nan 0.000 0.454 154 K N 1.471 121.917 120.400 0.076 0.000 2.063 154 K HA -0.249 4.070 4.320 -0.001 0.000 0.208 154 K C 1.835 178.454 176.600 0.031 0.000 1.048 154 K CA 1.993 58.312 56.287 0.053 0.000 0.928 154 K CB -0.270 32.264 32.500 0.056 0.000 0.713 154 K HN 0.653 nan 8.250 nan 0.000 0.442 155 N N -0.384 118.334 118.700 0.030 0.000 2.521 155 N HA -0.032 4.707 4.740 -0.001 0.000 0.188 155 N C 0.847 176.361 175.510 0.007 0.000 1.146 155 N CA 1.262 54.322 53.050 0.017 0.000 0.893 155 N CB 0.244 38.741 38.487 0.016 0.000 0.975 155 N HN 0.368 nan 8.380 nan 0.000 0.451 156 G N -0.366 108.434 108.800 0.001 0.000 2.157 156 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.248 156 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.248 156 G C 0.757 175.645 174.900 -0.020 0.000 0.979 156 G CA 0.494 45.584 45.100 -0.016 0.000 0.650 156 G HN 0.475 nan 8.290 nan 0.000 0.529 157 Q N -1.024 118.771 119.800 -0.008 0.000 2.096 157 Q HA 0.273 4.612 4.340 -0.001 0.000 0.197 157 Q C 1.462 177.456 176.000 -0.009 0.000 0.964 157 Q CA 0.794 56.597 55.803 0.001 0.000 0.838 157 Q CB 0.364 29.107 28.738 0.009 0.000 0.906 157 Q HN 0.597 nan 8.270 nan 0.000 0.444 158 L N 1.585 122.784 121.223 -0.041 0.000 2.272 158 L HA 0.346 4.685 4.340 -0.001 0.000 0.289 158 L C -1.023 175.666 176.870 -0.302 0.000 1.032 158 L CA -0.294 54.476 54.840 -0.116 0.000 0.810 158 L CB 1.265 43.271 42.059 -0.088 0.000 1.205 158 L HN 0.014 nan 8.230 nan 0.000 0.422 159 E N 4.403 124.390 120.200 -0.354 0.000 2.210 159 E HA 0.347 4.696 4.350 -0.001 0.000 0.266 159 E C -1.518 174.813 176.600 -0.447 0.000 0.883 159 E CA -0.794 55.400 56.400 -0.343 0.000 0.761 159 E CB 1.373 30.953 29.700 -0.200 0.000 1.156 159 E HN 0.460 nan 8.360 nan 0.000 0.412 160 F N 3.298 123.203 119.950 -0.074 0.000 2.427 160 F HA 0.206 4.732 4.527 -0.001 0.000 0.352 160 F C 0.308 176.079 175.800 -0.048 0.000 1.100 160 F CA -0.516 57.452 58.000 -0.053 0.000 1.191 160 F CB 1.150 40.130 39.000 -0.035 0.000 1.128 160 F HN 0.177 nan 8.300 nan 0.000 0.533 161 V N 0.114 120.096 119.914 0.113 0.000 2.495 161 V HA 0.639 4.759 4.120 -0.001 0.000 0.298 161 V C 0.319 176.546 176.094 0.221 0.000 1.031 161 V CA -0.510 61.851 62.300 0.101 0.000 0.871 161 V CB 0.952 32.721 31.823 -0.091 0.000 0.988 161 V HN 0.974 nan 8.190 nan 0.000 0.432 162 T N 3.225 117.983 114.554 0.340 0.000 12.763 162 T HA -0.320 4.030 4.350 -0.001 0.000 0.419 162 T C 1.729 176.660 174.700 0.386 0.000 1.443 162 T CA 3.073 65.424 62.100 0.418 0.000 2.376 162 T CB -1.673 67.341 68.868 0.243 0.000 2.832 162 T HN 2.798 nan 8.240 nan 0.000 0.739 163 G N 1.800 110.762 108.800 0.271 0.000 2.136 163 G HA2 0.099 4.059 3.960 -0.001 0.000 0.242 163 G HA3 0.099 4.059 3.960 -0.001 0.000 0.242 163 G C 0.305 175.343 174.900 0.231 0.000 0.989 163 G CA 0.571 45.804 45.100 0.222 0.000 0.682 163 G HN 1.540 nan 8.290 nan 0.000 0.522 164 G N -1.614 107.322 108.800 0.227 0.000 2.572 164 G HA2 0.360 4.319 3.960 -0.001 0.000 0.261 164 G HA3 0.360 4.319 3.960 -0.001 0.000 0.261 164 G C 0.971 176.046 174.900 0.291 0.000 1.197 164 G CA 0.173 45.417 45.100 0.240 0.000 0.870 164 G HN 0.354 nan 8.290 nan 0.000 0.548 165 W N 0.381 121.721 121.300 0.066 0.000 2.350 165 W HA -0.024 4.636 4.660 -0.001 0.000 0.289 165 W C 0.685 177.229 176.519 0.042 0.000 1.215 165 W CA 1.803 59.169 57.345 0.035 0.000 1.236 165 W CB 0.259 29.721 29.460 0.002 0.000 1.130 165 W HN 0.404 nan 8.180 nan 0.000 0.541 166 V N -2.690 117.348 119.914 0.206 0.000 3.105 166 V HA 0.500 4.619 4.120 -0.001 0.000 0.311 166 V C -0.449 175.736 176.094 0.153 0.000 1.287 166 V CA -1.278 61.092 62.300 0.116 0.000 1.066 166 V CB 1.719 33.633 31.823 0.151 0.000 1.105 166 V HN -0.064 nan 8.190 nan 0.000 0.462 167 M N 3.831 123.550 119.600 0.199 0.000 2.103 167 M HA 0.517 4.996 4.480 -0.001 0.000 0.350 167 M C -2.699 173.753 176.300 0.253 0.000 1.100 167 M CA -1.896 53.529 55.300 0.209 0.000 1.042 167 M CB 1.363 34.101 32.600 0.230 0.000 1.368 167 M HN 0.629 nan 8.290 nan 0.000 0.404 168 P HA 0.116 nan 4.420 nan 0.000 0.274 168 P C -0.939 176.370 177.300 0.015 0.000 1.237 168 P CA -0.163 62.987 63.100 0.084 0.000 0.793 168 P CB 0.519 32.256 31.700 0.061 0.000 0.977 169 D N 0.620 120.993 120.400 -0.044 0.000 2.478 169 D HA -0.079 4.560 4.640 -0.001 0.000 0.234 169 D C 0.723 177.038 176.300 0.026 0.000 1.154 169 D CA 0.678 54.639 54.000 -0.065 0.000 0.874 169 D CB 0.445 41.219 40.800 -0.042 0.000 1.198 169 D HN 0.306 nan 8.370 nan 0.000 0.455 170 E N 1.481 121.741 120.200 0.100 0.000 2.511 170 E HA 0.173 4.522 4.350 -0.001 0.000 0.209 170 E C 0.975 177.749 176.600 0.289 0.000 0.986 170 E CA 0.067 56.594 56.400 0.211 0.000 0.974 170 E CB 0.620 30.467 29.700 0.245 0.000 1.030 170 E HN 0.485 nan 8.360 nan 0.000 0.490 171 A N 1.577 124.508 122.820 0.186 0.000 1.871 171 A HA 0.002 4.321 4.320 -0.001 0.000 0.211 171 A C 1.844 179.306 177.584 -0.202 0.000 1.207 171 A CA 0.667 52.577 52.037 -0.211 0.000 0.620 171 A CB -0.007 18.822 19.000 -0.286 0.000 0.860 171 A HN 0.038 nan 8.150 nan 0.000 0.450 172 N N 0.637 119.307 118.700 -0.051 0.000 2.405 172 N HA 0.009 4.748 4.740 -0.001 0.000 0.175 172 N C 0.432 175.930 175.510 -0.020 0.000 1.051 172 N CA 0.756 53.776 53.050 -0.050 0.000 0.899 172 N CB 0.020 38.522 38.487 0.025 0.000 1.000 172 N HN 0.501 nan 8.380 nan 0.000 0.451 173 S N 0.783 116.483 115.700 0.000 0.000 2.562 173 S HA 0.032 4.501 4.470 -0.001 0.000 0.281 173 S C 0.041 174.657 174.600 0.027 0.000 1.333 173 S CA -0.539 57.674 58.200 0.021 0.000 1.052 173 S CB 1.121 64.338 63.200 0.027 0.000 0.884 173 S HN 0.205 nan 8.310 nan 0.000 0.506 174 H N 3.229 122.279 119.070 -0.034 0.000 2.582 174 H HA 0.048 4.603 4.556 -0.001 0.000 0.345 174 H C 1.220 176.517 175.328 -0.050 0.000 1.104 174 H CA -0.294 55.720 56.048 -0.057 0.000 1.390 174 H CB 0.539 30.219 29.762 -0.136 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.674 126.917 121.300 -0.095 0.000 2.350 175 W HA -0.153 4.507 4.660 -0.001 0.000 0.289 175 W C 1.064 177.658 176.519 0.126 0.000 1.215 175 W CA 0.324 57.666 57.345 -0.006 0.000 1.236 175 W CB -0.437 28.958 29.460 -0.108 0.000 1.130 175 W HN 0.526 nan 8.180 nan 0.000 0.541 176 R N 0.771 120.900 120.500 -0.618 0.000 2.096 176 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 176 R C 2.005 178.133 176.300 -0.285 0.000 1.127 176 R CA 1.867 57.490 56.100 -0.794 0.000 0.968 176 R CB -0.409 29.369 30.300 -0.870 0.000 0.861 176 R HN 0.130 nan 8.270 nan 0.000 0.440 177 N N -0.201 118.416 118.700 -0.138 0.000 2.376 177 N HA -0.050 4.690 4.740 -0.001 0.000 0.177 177 N C 1.725 177.234 175.510 -0.002 0.000 1.024 177 N CA 0.663 53.675 53.050 -0.064 0.000 0.893 177 N CB 0.009 38.478 38.487 -0.029 0.000 0.980 177 N HN -0.013 nan 8.380 nan 0.000 0.439 178 V N 1.462 121.400 119.914 0.040 0.000 2.343 178 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 178 V C 2.346 178.482 176.094 0.071 0.000 1.051 178 V CA 1.099 63.441 62.300 0.071 0.000 1.036 178 V CB -0.512 31.375 31.823 0.106 0.000 0.654 178 V HN 0.196 nan 8.190 nan 0.000 0.451 179 L N -0.262 121.012 121.223 0.085 0.000 2.046 179 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 179 L C 2.201 179.080 176.870 0.015 0.000 1.077 179 L CA 1.892 56.776 54.840 0.073 0.000 0.747 179 L CB -0.748 41.386 42.059 0.126 0.000 0.896 179 L HN 0.291 nan 8.230 nan 0.000 0.432 180 L N -0.139 121.071 121.223 -0.023 0.000 2.012 180 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 180 L C 2.570 179.425 176.870 -0.025 0.000 1.073 180 L CA 2.365 57.178 54.840 -0.044 0.000 0.748 180 L CB -0.800 41.214 42.059 -0.075 0.000 0.891 180 L HN 0.688 nan 8.230 nan 0.000 0.431 181 Q N -1.125 118.683 119.800 0.012 0.000 2.172 181 Q HA -0.172 4.167 4.340 -0.001 0.000 0.200 181 Q C 2.021 178.097 176.000 0.128 0.000 0.964 181 Q CA 1.905 57.747 55.803 0.065 0.000 0.855 181 Q CB -1.160 27.654 28.738 0.127 0.000 0.918 181 Q HN 0.452 nan 8.270 nan 0.000 0.444 182 L N 0.942 122.228 121.223 0.105 0.000 2.017 182 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 182 L C 1.943 178.890 176.870 0.129 0.000 1.073 182 L CA 2.506 57.423 54.840 0.129 0.000 0.745 182 L CB -1.073 41.042 42.059 0.093 0.000 0.894 182 L HN 0.336 nan 8.230 nan 0.000 0.432 183 T N -0.942 113.656 114.554 0.073 0.000 2.788 183 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 183 T C 1.730 176.476 174.700 0.076 0.000 1.044 183 T CA 1.438 63.574 62.100 0.060 0.000 1.139 183 T CB -0.188 68.687 68.868 0.011 0.000 0.867 183 T HN 0.337 nan 8.240 nan 0.000 0.454 184 E N 0.971 121.186 120.200 0.026 0.000 2.051 184 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 184 E C 2.331 179.033 176.600 0.170 0.000 0.991 184 E CA 1.570 57.933 56.400 -0.062 0.000 0.799 184 E CB -0.862 28.607 29.700 -0.384 0.000 0.748 184 E HN 0.454 nan 8.360 nan 0.000 0.449 185 G N -0.147 108.856 108.800 0.338 0.000 2.394 185 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.215 185 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.215 185 G C 1.477 176.589 174.900 0.352 0.000 1.165 185 G CA 0.636 46.027 45.100 0.485 0.000 0.784 185 G HN 0.265 nan 8.290 nan 0.000 0.535 186 Q N -0.146 119.800 119.800 0.243 0.000 2.172 186 Q HA -0.056 4.283 4.340 -0.001 0.000 0.200 186 Q C 2.760 178.855 176.000 0.159 0.000 0.964 186 Q CA 1.406 57.315 55.803 0.177 0.000 0.855 186 Q CB -0.198 28.628 28.738 0.145 0.000 0.918 186 Q HN 0.400 nan 8.270 nan 0.000 0.444 187 T N 0.132 114.791 114.554 0.175 0.000 2.777 187 T HA -0.175 4.175 4.350 -0.001 0.000 0.266 187 T C 1.077 175.880 174.700 0.172 0.000 1.040 187 T CA 0.972 63.154 62.100 0.135 0.000 1.141 187 T CB -0.330 68.610 68.868 0.121 0.000 0.868 187 T HN 0.464 nan 8.240 nan 0.000 0.444 188 W N 1.640 123.034 121.300 0.156 0.000 2.354 188 W HA -0.059 4.600 4.660 -0.001 0.000 0.315 188 W C 1.816 178.461 176.519 0.209 0.000 1.206 188 W CA 0.965 58.481 57.345 0.285 0.000 1.290 188 W CB -0.484 29.196 29.460 0.368 0.000 1.152 188 W HN 0.136 nan 8.180 nan 0.000 0.489 189 L N 0.613 122.061 121.223 0.376 0.000 2.042 189 L HA -0.281 4.058 4.340 -0.001 0.000 0.210 189 L C 2.634 179.445 176.870 -0.098 0.000 1.076 189 L CA 1.946 56.825 54.840 0.065 0.000 0.749 189 L CB -0.975 41.056 42.059 -0.047 0.000 0.893 189 L HN -0.002 nan 8.230 nan 0.000 0.432 190 K N -0.115 120.246 120.400 -0.064 0.000 2.057 190 K HA -0.256 4.064 4.320 -0.001 0.000 0.207 190 K C 2.201 178.673 176.600 -0.212 0.000 1.049 190 K CA 1.576 57.800 56.287 -0.104 0.000 0.931 190 K CB -0.028 32.434 32.500 -0.063 0.000 0.714 190 K HN 0.272 nan 8.250 nan 0.000 0.440 191 Q N -0.856 118.752 119.800 -0.319 0.000 2.079 191 Q HA -0.146 4.193 4.340 -0.001 0.000 0.200 191 Q C 1.465 176.973 176.000 -0.819 0.000 0.974 191 Q CA 1.721 57.166 55.803 -0.596 0.000 0.840 191 Q CB 0.068 28.329 28.738 -0.795 0.000 0.898 191 Q HN 0.291 nan 8.270 nan 0.000 0.430 192 F N -1.658 117.933 119.950 -0.598 0.000 2.559 192 F HA 0.119 4.645 4.527 -0.001 0.000 0.286 192 F C 1.876 177.395 175.800 -0.468 0.000 1.108 192 F CA 0.232 57.825 58.000 -0.679 0.000 1.436 192 F CB 0.279 38.447 39.000 -1.387 0.000 1.130 192 F HN 0.078 nan 8.300 nan 0.000 0.584 193 M N -0.838 118.622 119.600 -0.232 0.000 2.514 193 M HA 0.174 4.654 4.480 -0.001 0.000 0.258 193 M C 0.348 176.633 176.300 -0.026 0.000 1.159 193 M CA 0.472 55.735 55.300 -0.061 0.000 1.116 193 M CB -0.883 31.712 32.600 -0.008 0.000 1.333 193 M HN 0.157 nan 8.290 nan 0.000 0.487 194 N N 1.399 120.049 118.700 -0.083 0.000 2.758 194 N HA -0.127 4.612 4.740 -0.001 0.000 0.248 194 N C -1.064 174.432 175.510 -0.024 0.000 1.076 194 N CA 0.709 53.724 53.050 -0.058 0.000 0.696 194 N CB -1.136 37.328 38.487 -0.038 0.000 0.979 194 N HN 0.292 nan 8.380 nan 0.000 0.550 195 V N -3.575 116.328 119.914 -0.019 0.000 2.971 195 V HA 0.863 4.982 4.120 -0.001 0.000 0.309 195 V C 0.022 176.107 176.094 -0.015 0.000 1.130 195 V CA -0.462 61.842 62.300 0.006 0.000 0.964 195 V CB 2.276 34.150 31.823 0.085 0.000 1.029 195 V HN 0.062 nan 8.190 nan 0.000 0.427 196 T N 4.407 118.940 114.554 -0.035 0.000 2.892 196 T HA 0.581 4.931 4.350 -0.001 0.000 0.311 196 T C -2.715 171.904 174.700 -0.135 0.000 1.033 196 T CA -0.816 61.243 62.100 -0.068 0.000 0.991 196 T CB 1.367 70.184 68.868 -0.084 0.000 0.981 196 T HN 0.767 nan 8.240 nan 0.000 0.457 197 P HA 0.161 nan 4.420 nan 0.000 0.266 197 P C 0.829 177.744 177.300 -0.641 0.000 1.195 197 P CA -0.142 62.842 63.100 -0.195 0.000 0.768 197 P CB 0.508 32.208 31.700 0.000 0.000 0.838 198 T N -1.848 112.385 114.554 -0.534 0.000 3.091 198 T HA 0.552 4.901 4.350 -0.001 0.000 0.277 198 T C 0.329 174.840 174.700 -0.315 0.000 0.996 198 T CA -0.287 61.369 62.100 -0.741 0.000 0.897 198 T CB 0.118 68.767 68.868 -0.364 0.000 1.109 198 T HN 0.428 nan 8.240 nan 0.000 0.534 199 A N 0.799 123.605 122.820 -0.024 0.000 2.355 199 A HA 0.815 5.134 4.320 -0.001 0.000 0.317 199 A C -0.209 177.667 177.584 0.486 0.000 1.094 199 A CA -0.719 51.468 52.037 0.249 0.000 0.764 199 A CB 1.879 21.043 19.000 0.273 0.000 1.230 199 A HN 0.261 nan 8.150 nan 0.000 0.448 200 S N 1.846 117.811 115.700 0.441 0.000 2.537 200 S HA 0.695 5.164 4.470 -0.001 0.000 0.301 200 S C -1.237 173.562 174.600 0.331 0.000 1.092 200 S CA -0.433 57.964 58.200 0.327 0.000 1.048 200 S CB 0.841 64.048 63.200 0.012 0.000 1.053 200 S HN 0.822 nan 8.310 nan 0.000 0.501 201 W N 4.552 125.871 121.300 0.031 0.000 2.587 201 W HA 0.634 5.294 4.660 -0.001 0.000 0.324 201 W C -1.508 174.957 176.519 -0.090 0.000 1.008 201 W CA -0.822 56.493 57.345 -0.051 0.000 1.265 201 W CB 1.136 30.538 29.460 -0.096 0.000 1.328 201 W HN 0.790 nan 8.180 nan 0.000 0.432 202 A N 7.884 130.535 122.820 -0.283 0.000 2.893 202 A HA 0.289 4.608 4.320 -0.001 0.000 0.333 202 A C 0.307 177.619 177.584 -0.453 0.000 1.152 202 A CA -0.485 51.392 52.037 -0.268 0.000 0.782 202 A CB -0.330 18.643 19.000 -0.044 0.000 1.108 202 A HN 0.699 nan 8.150 nan 0.000 0.469 203 I N -2.613 117.492 120.570 -0.774 0.000 3.603 203 I HA 0.251 4.421 4.170 -0.001 0.000 0.297 203 I C 0.800 176.575 176.117 -0.570 0.000 1.269 203 I CA 0.855 61.660 61.300 -0.825 0.000 1.361 203 I CB 0.364 37.563 38.000 -1.334 0.000 1.063 203 I HN 0.328 nan 8.210 nan 0.000 0.448 204 D N 0.304 120.334 120.400 -0.616 0.000 2.489 204 D HA 0.246 4.885 4.640 -0.001 0.000 0.231 204 D C -2.170 173.685 176.300 -0.741 0.000 1.114 204 D CA -0.736 52.909 54.000 -0.592 0.000 0.842 204 D CB 0.085 40.446 40.800 -0.732 0.000 1.133 204 D HN 0.174 nan 8.370 nan 0.000 0.506 205 P HA 0.029 nan 4.420 nan 0.000 0.267 205 P C -0.491 176.356 177.300 -0.755 0.000 1.200 205 P CA 0.093 62.664 63.100 -0.882 0.000 0.772 205 P CB 0.168 31.518 31.700 -0.583 0.000 0.855 206 F N 1.993 121.721 119.950 -0.371 0.000 2.541 206 F HA 0.551 5.078 4.527 -0.001 0.000 0.351 206 F C 1.421 177.160 175.800 -0.103 0.000 1.209 206 F CA -0.565 57.170 58.000 -0.442 0.000 1.277 206 F CB -1.038 37.851 39.000 -0.185 0.000 1.632 206 F HN 0.515 nan 8.300 nan 0.000 0.619 207 G N 1.141 109.699 108.800 -0.403 0.000 2.619 207 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.686 207 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.686 207 G C -1.524 173.021 174.900 -0.591 0.000 1.256 207 G CA -1.164 43.797 45.100 -0.232 0.000 0.826 207 G HN 0.594 nan 8.290 nan 0.000 0.619 208 H N -0.621 118.148 119.070 -0.501 0.000 2.717 208 H HA 0.755 5.310 4.556 -0.001 0.000 0.366 208 H C -0.394 174.819 175.328 -0.191 0.000 1.132 208 H CA 0.051 55.998 56.048 -0.169 0.000 1.180 208 H CB 2.044 31.866 29.762 0.101 0.000 1.678 208 H HN 0.691 nan 8.280 nan 0.000 0.537 209 S N 2.268 118.115 115.700 0.245 0.000 2.503 209 S HA 0.272 4.741 4.470 -0.001 0.000 0.301 209 S C -1.820 172.801 174.600 0.035 0.000 1.087 209 S CA -1.788 56.555 58.200 0.238 0.000 1.042 209 S CB 1.366 64.760 63.200 0.323 0.000 1.043 209 S HN 0.440 nan 8.310 nan 0.000 0.489 210 P HA 0.016 nan 4.420 nan 0.000 0.234 210 P C 1.122 178.167 177.300 -0.426 0.000 1.167 210 P CA 0.735 63.436 63.100 -0.664 0.000 0.763 210 P CB -0.288 31.183 31.700 -0.382 0.000 0.835 211 T N -0.100 114.341 114.554 -0.188 0.000 2.803 211 T HA -0.123 4.226 4.350 -0.001 0.000 0.269 211 T C 1.824 176.481 174.700 -0.071 0.000 1.052 211 T CA 1.274 63.309 62.100 -0.108 0.000 1.136 211 T CB -0.401 68.444 68.868 -0.037 0.000 0.864 211 T HN 0.007 nan 8.240 nan 0.000 0.467 212 M N 0.900 120.415 119.600 -0.142 0.000 2.059 212 M HA 0.002 4.481 4.480 -0.001 0.000 0.259 212 M C -0.580 175.585 176.300 -0.225 0.000 1.072 212 M CA 1.253 56.466 55.300 -0.144 0.000 1.117 212 M CB -2.578 29.963 32.600 -0.098 0.000 1.320 212 M HN 0.128 nan 8.290 nan 0.000 0.408 213 P HA -0.213 nan 4.420 nan 0.000 0.218 213 P C 1.680 178.860 177.300 -0.201 0.000 1.148 213 P CA 1.522 64.433 63.100 -0.315 0.000 0.822 213 P CB -0.450 30.962 31.700 -0.479 0.000 0.784 214 Y N 1.042 121.160 120.300 -0.302 0.000 2.097 214 Y HA -0.199 4.351 4.550 -0.001 0.000 0.282 214 Y C 2.435 178.256 175.900 -0.132 0.000 1.152 214 Y CA 1.697 59.681 58.100 -0.193 0.000 1.136 214 Y CB -0.945 37.416 38.460 -0.165 0.000 0.975 214 Y HN -0.233 nan 8.280 nan 0.000 0.498 215 I N -0.430 120.165 120.570 0.042 0.000 2.252 215 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 215 I C 2.272 178.323 176.117 -0.111 0.000 1.102 215 I CA 1.157 62.447 61.300 -0.017 0.000 1.385 215 I CB -0.439 37.614 38.000 0.088 0.000 1.064 215 I HN 0.257 nan 8.210 nan 0.000 0.414 216 L N 0.143 121.250 121.223 -0.192 0.000 2.046 216 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 216 L C 2.700 179.559 176.870 -0.018 0.000 1.077 216 L CA 1.261 55.925 54.840 -0.293 0.000 0.747 216 L CB -0.720 40.974 42.059 -0.608 0.000 0.896 216 L HN 0.346 nan 8.230 nan 0.000 0.432 217 Q N 1.068 120.820 119.800 -0.081 0.000 2.226 217 Q HA -0.188 4.151 4.340 -0.001 0.000 0.204 217 Q C 1.571 177.530 176.000 -0.068 0.000 0.975 217 Q CA 1.453 57.227 55.803 -0.048 0.000 0.866 217 Q CB 0.142 28.821 28.738 -0.098 0.000 0.915 217 Q HN 0.475 nan 8.270 nan 0.000 0.440 218 K N -0.550 119.771 120.400 -0.132 0.000 2.417 218 K HA 0.135 4.455 4.320 -0.001 0.000 0.196 218 K C 0.550 177.114 176.600 -0.059 0.000 1.023 218 K CA 0.025 56.228 56.287 -0.140 0.000 1.122 218 K CB 0.594 32.940 32.500 -0.258 0.000 0.850 218 K HN -0.089 nan 8.250 nan 0.000 0.521 219 S N -0.207 115.514 115.700 0.034 0.000 2.843 219 S HA 0.203 4.673 4.470 -0.001 0.000 0.249 219 S C 0.743 175.446 174.600 0.171 0.000 1.047 219 S CA 0.093 58.361 58.200 0.113 0.000 1.042 219 S CB 1.324 64.635 63.200 0.185 0.000 0.936 219 S HN 0.525 nan 8.310 nan 0.000 0.531 220 G N 1.209 110.060 108.800 0.084 0.000 2.176 220 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.253 220 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.253 220 G C -0.036 174.838 174.900 -0.044 0.000 0.979 220 G CA -0.393 44.699 45.100 -0.013 0.000 0.641 220 G HN 0.439 nan 8.290 nan 0.000 0.530 221 F N 0.438 120.348 119.950 -0.067 0.000 2.410 221 F HA 0.578 5.104 4.527 -0.001 0.000 0.334 221 F C 1.582 177.323 175.800 -0.099 0.000 1.134 221 F CA -0.057 57.900 58.000 -0.073 0.000 1.227 221 F CB 1.011 39.972 39.000 -0.064 0.000 1.194 221 F HN -0.190 nan 8.300 nan 0.000 0.571 222 K N 0.867 121.283 120.400 0.027 0.000 2.425 222 K HA 0.255 4.574 4.320 -0.001 0.000 0.201 222 K C -0.375 176.159 176.600 -0.110 0.000 1.128 222 K CA 0.261 56.504 56.287 -0.074 0.000 1.000 222 K CB 0.314 32.719 32.500 -0.159 0.000 0.961 222 K HN 0.527 nan 8.250 nan 0.000 0.555 223 N N 0.782 119.403 118.700 -0.133 0.000 2.484 223 N HA 0.393 5.133 4.740 -0.001 0.000 0.269 223 N C -0.946 174.414 175.510 -0.251 0.000 1.237 223 N CA -0.406 52.401 53.050 -0.405 0.000 0.838 223 N CB 2.515 40.212 38.487 -1.317 0.000 1.593 223 N HN -0.075 nan 8.380 nan 0.000 0.485 224 M N -0.346 119.122 119.600 -0.220 0.000 2.569 224 M HA 0.616 5.096 4.480 -0.001 0.000 0.279 224 M C -1.964 174.407 176.300 0.118 0.000 1.253 224 M CA -0.942 54.356 55.300 -0.003 0.000 0.867 224 M CB 2.874 35.460 32.600 -0.022 0.000 1.727 224 M HN 0.468 nan 8.290 nan 0.000 0.467 225 L N 3.734 125.049 121.223 0.153 0.000 2.381 225 L HA 0.883 5.222 4.340 -0.001 0.000 0.268 225 L C -1.415 175.335 176.870 -0.200 0.000 0.997 225 L CA -0.764 54.119 54.840 0.072 0.000 0.818 225 L CB 1.978 44.126 42.059 0.148 0.000 1.310 225 L HN 0.948 nan 8.230 nan 0.000 0.416 226 I N 0.896 121.258 120.570 -0.347 0.000 3.042 226 I HA 0.607 4.777 4.170 -0.001 0.000 0.310 226 I C -0.710 175.109 176.117 -0.496 0.000 1.117 226 I CA -0.593 60.312 61.300 -0.659 0.000 1.003 226 I CB 2.228 39.555 38.000 -1.123 0.000 1.228 226 I HN 0.734 nan 8.210 nan 0.000 0.443 227 Q N 1.961 121.542 119.800 -0.365 0.000 2.546 227 Q HA 0.337 4.677 4.340 -0.001 0.000 0.226 227 Q C 0.021 175.924 176.000 -0.162 0.000 0.769 227 Q CA 0.345 56.008 55.803 -0.233 0.000 0.954 227 Q CB 0.565 29.160 28.738 -0.239 0.000 1.319 227 Q HN 0.647 nan 8.270 nan 0.000 0.534 228 R N 2.119 122.528 120.500 -0.151 0.000 2.612 228 R HA 0.321 4.660 4.340 -0.001 0.000 0.273 228 R C -0.682 175.362 176.300 -0.426 0.000 1.376 228 R CA 0.644 56.418 56.100 -0.544 0.000 1.171 228 R CB 0.106 29.729 30.300 -1.128 0.000 1.151 228 R HN 0.416 nan 8.270 nan 0.000 0.560 229 T N -2.414 112.126 114.554 -0.024 0.000 2.916 229 T HA 0.127 4.477 4.350 -0.001 0.000 0.292 229 T C -0.033 174.924 174.700 0.428 0.000 1.055 229 T CA -0.908 61.304 62.100 0.186 0.000 1.009 229 T CB 1.723 70.540 68.868 -0.086 0.000 1.118 229 T HN 0.431 nan 8.240 nan 0.000 0.497 230 H N 1.973 121.261 119.070 0.363 0.000 3.140 230 H HA -0.064 4.492 4.556 -0.001 0.000 0.316 230 H C 1.074 176.458 175.328 0.093 0.000 0.986 230 H CA 0.638 56.790 56.048 0.174 0.000 1.397 230 H CB 0.307 30.202 29.762 0.222 0.000 1.377 230 H HN 0.925 nan 8.280 nan 0.000 0.585 231 Y N 2.315 122.703 120.300 0.146 0.000 2.256 231 Y HA -0.196 4.354 4.550 -0.001 0.000 0.288 231 Y C 2.489 178.556 175.900 0.280 0.000 1.155 231 Y CA 1.063 59.289 58.100 0.210 0.000 1.203 231 Y CB -0.729 37.794 38.460 0.106 0.000 0.980 231 Y HN 0.377 nan 8.280 nan 0.000 0.530 232 S N 0.085 115.833 115.700 0.079 0.000 2.406 232 S HA -0.097 4.373 4.470 -0.001 0.000 0.228 232 S C 1.976 176.506 174.600 -0.116 0.000 1.020 232 S CA 0.995 59.144 58.200 -0.085 0.000 0.965 232 S CB -0.624 62.322 63.200 -0.424 0.000 0.798 232 S HN 0.350 nan 8.310 nan 0.000 0.488 233 V N 1.688 121.598 119.914 -0.006 0.000 2.358 233 V HA -0.133 3.987 4.120 -0.001 0.000 0.246 233 V C 2.340 178.479 176.094 0.074 0.000 1.047 233 V CA 1.695 64.021 62.300 0.043 0.000 1.035 233 V CB -0.531 31.420 31.823 0.214 0.000 0.658 233 V HN 0.430 nan 8.190 nan 0.000 0.452 234 K N 0.143 120.627 120.400 0.140 0.000 2.044 234 K HA -0.268 4.051 4.320 -0.001 0.000 0.210 234 K C 2.284 179.021 176.600 0.229 0.000 1.049 234 K CA 1.952 58.340 56.287 0.168 0.000 0.927 234 K CB -0.259 32.399 32.500 0.263 0.000 0.713 234 K HN 0.346 nan 8.250 nan 0.000 0.443 235 K N 1.102 121.636 120.400 0.225 0.000 2.026 235 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 235 K C 2.143 178.844 176.600 0.168 0.000 1.048 235 K CA 1.789 58.214 56.287 0.231 0.000 0.929 235 K CB 0.027 32.591 32.500 0.106 0.000 0.713 235 K HN -0.002 nan 8.250 nan 0.000 0.439 236 E N 0.799 121.019 120.200 0.034 0.000 2.031 236 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 236 E C 1.949 178.547 176.600 -0.003 0.000 0.994 236 E CA 1.468 57.846 56.400 -0.036 0.000 0.800 236 E CB -0.171 29.459 29.700 -0.116 0.000 0.752 236 E HN 0.331 nan 8.360 nan 0.000 0.447 237 L N -0.146 121.085 121.223 0.014 0.000 2.093 237 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 237 L C 2.535 179.428 176.870 0.038 0.000 1.085 237 L CA 0.907 55.749 54.840 0.003 0.000 0.755 237 L CB -0.626 41.420 42.059 -0.020 0.000 0.904 237 L HN 0.209 nan 8.230 nan 0.000 0.435 238 A N -0.125 122.769 122.820 0.123 0.000 1.883 238 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 238 A C 2.228 179.987 177.584 0.292 0.000 1.186 238 A CA 1.707 53.872 52.037 0.213 0.000 0.624 238 A CB -0.560 18.724 19.000 0.473 0.000 0.822 238 A HN 0.468 nan 8.150 nan 0.000 0.444 239 Q N -1.042 118.897 119.800 0.231 0.000 2.234 239 Q HA -0.177 4.162 4.340 -0.001 0.000 0.206 239 Q C 1.270 177.262 176.000 -0.014 0.000 0.980 239 Q CA 1.377 57.163 55.803 -0.027 0.000 0.869 239 Q CB -0.046 28.551 28.738 -0.234 0.000 0.912 239 Q HN 0.626 nan 8.270 nan 0.000 0.436 240 Q N -0.308 119.496 119.800 0.008 0.000 2.247 240 Q HA 0.149 4.489 4.340 -0.001 0.000 0.204 240 Q C -0.459 175.558 176.000 0.027 0.000 0.872 240 Q CA -0.059 55.745 55.803 0.002 0.000 0.951 240 Q CB 0.704 29.433 28.738 -0.014 0.000 1.099 240 Q HN 0.276 nan 8.270 nan 0.000 0.501 241 R N 0.873 121.395 120.500 0.036 0.000 3.322 241 R HA -0.215 4.125 4.340 -0.001 0.000 0.253 241 R C -0.076 176.255 176.300 0.051 0.000 0.987 241 R CA 0.482 56.593 56.100 0.019 0.000 0.666 241 R CB -1.812 28.524 30.300 0.061 0.000 1.072 241 R HN 0.385 nan 8.270 nan 0.000 0.447 242 Q N 0.027 119.848 119.800 0.035 0.000 2.186 242 Q HA 0.197 4.536 4.340 -0.001 0.000 0.241 242 Q C 1.181 177.270 176.000 0.148 0.000 0.849 242 Q CA -0.225 55.637 55.803 0.098 0.000 1.053 242 Q CB 0.555 29.316 28.738 0.037 0.000 1.146 242 Q HN 0.442 nan 8.270 nan 0.000 0.475 243 L N 0.046 121.283 121.223 0.024 0.000 2.418 243 L HA 0.068 4.407 4.340 -0.001 0.000 0.218 243 L C 0.280 177.126 176.870 -0.040 0.000 1.125 243 L CA 0.886 55.709 54.840 -0.029 0.000 0.835 243 L CB 0.381 42.231 42.059 -0.348 0.000 0.953 243 L HN 0.174 nan 8.230 nan 0.000 0.454 244 E N 0.198 120.420 120.200 0.036 0.000 2.158 244 E HA 0.512 4.861 4.350 -0.001 0.000 0.271 244 E C -1.244 175.245 176.600 -0.184 0.000 0.911 244 E CA -0.540 55.683 56.400 -0.294 0.000 0.767 244 E CB 1.550 31.237 29.700 -0.022 0.000 1.120 244 E HN -0.007 nan 8.360 nan 0.000 0.405 245 F N -0.214 119.471 119.950 -0.442 0.000 2.686 245 F HA 0.479 5.005 4.527 -0.001 0.000 0.311 245 F C -1.597 174.069 175.800 -0.223 0.000 1.128 245 F CA -1.401 56.479 58.000 -0.201 0.000 0.946 245 F CB 0.753 39.674 39.000 -0.133 0.000 1.336 245 F HN 0.155 nan 8.300 nan 0.000 0.457 246 L N 2.606 123.969 121.223 0.234 0.000 2.259 246 L HA 0.197 4.536 4.340 -0.001 0.000 0.288 246 L C -1.092 176.005 176.870 0.377 0.000 1.051 246 L CA -0.256 54.721 54.840 0.229 0.000 0.824 246 L CB 0.581 42.780 42.059 0.233 0.000 1.206 246 L HN 0.588 nan 8.230 nan 0.000 0.429 247 W N 6.730 128.138 121.300 0.181 0.000 2.387 247 W HA 0.346 5.006 4.660 -0.001 0.000 0.310 247 W C 0.212 176.756 176.519 0.041 0.000 1.181 247 W CA -1.257 56.208 57.345 0.201 0.000 1.333 247 W CB 0.510 30.133 29.460 0.273 0.000 1.286 247 W HN 0.522 nan 8.180 nan 0.000 0.455 248 R N 3.688 124.359 120.500 0.285 0.000 2.828 248 R HA 0.542 4.881 4.340 -0.001 0.000 0.264 248 R C -0.092 176.121 176.300 -0.145 0.000 1.022 248 R CA -0.920 55.179 56.100 -0.002 0.000 1.021 248 R CB 1.114 31.396 30.300 -0.029 0.000 1.163 248 R HN 0.231 nan 8.270 nan 0.000 0.494 249 Q N 1.413 120.974 119.800 -0.399 0.000 2.421 249 Q HA 0.054 4.394 4.340 -0.001 0.000 0.255 249 Q C 1.450 177.055 176.000 -0.659 0.000 1.013 249 Q CA 0.119 55.488 55.803 -0.723 0.000 0.895 249 Q CB 0.807 28.664 28.738 -1.468 0.000 1.271 249 Q HN 0.850 nan 8.270 nan 0.000 0.460 250 I N -2.006 118.284 120.570 -0.467 0.000 2.567 250 I HA -0.153 4.016 4.170 -0.001 0.000 0.257 250 I C 1.323 177.381 176.117 -0.098 0.000 1.184 250 I CA 1.254 62.444 61.300 -0.182 0.000 1.451 250 I CB -0.368 37.617 38.000 -0.024 0.000 1.089 250 I HN 0.675 nan 8.210 nan 0.000 0.441 251 W N 1.418 122.781 121.300 0.104 0.000 3.278 251 W HA 0.352 5.012 4.660 -0.001 0.000 0.308 251 W C 0.242 176.844 176.519 0.138 0.000 1.253 251 W CA -0.644 56.828 57.345 0.213 0.000 1.759 251 W CB -0.691 28.980 29.460 0.352 0.000 1.093 251 W HN -0.051 nan 8.180 nan 0.000 0.648 252 D N 1.877 122.045 120.400 -0.386 0.000 2.393 252 D HA -0.021 4.618 4.640 -0.001 0.000 0.232 252 D C 0.940 177.215 176.300 -0.040 0.000 1.192 252 D CA 0.123 54.003 54.000 -0.200 0.000 0.882 252 D CB 0.366 40.946 40.800 -0.367 0.000 1.038 252 D HN 0.121 nan 8.370 nan 0.000 0.499 253 N N 3.807 122.545 118.700 0.062 0.000 2.300 253 N HA -0.123 4.617 4.740 -0.001 0.000 0.179 253 N C 1.438 176.969 175.510 0.034 0.000 1.016 253 N CA 1.089 54.169 53.050 0.050 0.000 0.876 253 N CB 0.146 38.685 38.487 0.087 0.000 0.979 253 N HN 0.336 nan 8.380 nan 0.000 0.432 254 K N -1.192 119.233 120.400 0.042 0.000 2.137 254 K HA 0.106 4.425 4.320 -0.001 0.000 0.202 254 K C 0.603 177.218 176.600 0.025 0.000 1.052 254 K CA 0.989 57.297 56.287 0.036 0.000 0.961 254 K CB 0.045 32.572 32.500 0.044 0.000 0.741 254 K HN 0.239 nan 8.250 nan 0.000 0.452 255 G N 1.611 110.418 108.800 0.011 0.000 2.144 255 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 255 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 255 G C 0.330 175.234 174.900 0.007 0.000 0.988 255 G CA 0.443 45.547 45.100 0.007 0.000 0.659 255 G HN 0.599 nan 8.290 nan 0.000 0.522 256 D N 0.662 121.067 120.400 0.007 0.000 2.263 256 D HA -0.141 4.498 4.640 -0.001 0.000 0.208 256 D C 2.055 178.344 176.300 -0.018 0.000 0.971 256 D CA 1.744 55.746 54.000 0.004 0.000 0.867 256 D CB -0.727 40.084 40.800 0.018 0.000 0.929 256 D HN 0.680 nan 8.370 nan 0.000 0.492 257 T N -2.042 112.491 114.554 -0.036 0.000 3.113 257 T HA 0.348 4.697 4.350 -0.001 0.000 0.256 257 T C 1.122 175.784 174.700 -0.063 0.000 1.131 257 T CA 0.031 62.089 62.100 -0.070 0.000 1.074 257 T CB -0.139 68.669 68.868 -0.099 0.000 0.944 257 T HN 0.294 nan 8.240 nan 0.000 0.516 258 A N 1.479 124.287 122.820 -0.019 0.000 2.540 258 A HA 0.529 4.849 4.320 -0.001 0.000 0.239 258 A C -0.243 177.363 177.584 0.036 0.000 1.061 258 A CA -0.302 51.755 52.037 0.033 0.000 0.758 258 A CB -0.177 18.867 19.000 0.073 0.000 0.991 258 A HN 0.536 nan 8.150 nan 0.000 0.502 259 L N 2.853 124.117 121.223 0.069 0.000 2.410 259 L HA 0.580 4.920 4.340 -0.001 0.000 0.270 259 L C -0.627 176.302 176.870 0.098 0.000 0.983 259 L CA -0.612 54.265 54.840 0.061 0.000 0.822 259 L CB 1.467 43.528 42.059 0.003 0.000 1.285 259 L HN 0.652 nan 8.230 nan 0.000 0.409 260 F N 3.774 123.684 119.950 -0.066 0.000 2.578 260 F HA 0.393 4.919 4.527 -0.001 0.000 0.381 260 F C 0.041 175.720 175.800 -0.202 0.000 1.069 260 F CA 0.742 58.667 58.000 -0.125 0.000 1.231 260 F CB 0.440 39.381 39.000 -0.098 0.000 1.086 260 F HN 0.556 nan 8.300 nan 0.000 0.564 261 T N 5.364 119.362 114.554 -0.927 0.000 2.861 261 T HA 0.210 4.559 4.350 -0.001 0.000 0.287 261 T C -1.611 172.473 174.700 -1.026 0.000 1.003 261 T CA -0.475 61.164 62.100 -0.768 0.000 0.977 261 T CB 0.939 69.348 68.868 -0.764 0.000 0.996 261 T HN 0.612 nan 8.240 nan 0.000 0.448 262 H N 2.728 121.508 119.070 -0.484 0.000 2.551 262 H HA 0.608 5.164 4.556 -0.001 0.000 0.321 262 H C -0.422 174.724 175.328 -0.304 0.000 1.028 262 H CA -0.750 55.127 56.048 -0.285 0.000 1.215 262 H CB 0.745 30.576 29.762 0.115 0.000 1.414 262 H HN 0.465 nan 8.280 nan 0.000 0.480 263 M N 6.790 126.060 119.600 -0.551 0.000 2.108 263 M HA 0.279 4.758 4.480 -0.001 0.000 0.354 263 M C -0.895 175.166 176.300 -0.397 0.000 1.229 263 M CA -0.577 54.478 55.300 -0.408 0.000 1.081 263 M CB 0.593 33.004 32.600 -0.316 0.000 1.606 263 M HN 0.719 nan 8.290 nan 0.000 0.467 264 M N 7.139 126.605 119.600 -0.223 0.000 2.245 264 M HA 0.180 4.660 4.480 -0.001 0.000 0.330 264 M C -1.524 174.655 176.300 -0.202 0.000 1.098 264 M CA -1.124 54.093 55.300 -0.138 0.000 1.172 264 M CB 0.375 32.908 32.600 -0.111 0.000 1.467 264 M HN 0.465 nan 8.290 nan 0.000 0.454 265 P HA 0.123 nan 4.420 nan 0.000 0.245 265 P C -0.423 176.714 177.300 -0.272 0.000 1.199 265 P CA 0.884 63.693 63.100 -0.484 0.000 0.807 265 P CB 0.384 31.462 31.700 -1.037 0.000 1.002 266 F N -1.969 117.991 119.950 0.018 0.000 2.671 266 F HA 0.304 4.831 4.527 -0.001 0.000 0.373 266 F C 1.950 177.840 175.800 0.150 0.000 1.122 266 F CA -1.437 56.609 58.000 0.077 0.000 1.082 266 F CB -0.839 38.139 39.000 -0.038 0.000 1.399 266 F HN -0.328 nan 8.300 nan 0.000 0.509 267 Y N 0.030 120.472 120.300 0.236 0.000 2.373 267 Y HA 0.124 4.673 4.550 -0.001 0.000 0.293 267 Y C 0.898 176.716 175.900 -0.136 0.000 1.129 267 Y CA 1.358 59.460 58.100 0.002 0.000 1.226 267 Y CB 0.076 38.440 38.460 -0.161 0.000 1.000 267 Y HN 0.344 nan 8.280 nan 0.000 0.549 268 S N -1.810 113.744 115.700 -0.244 0.000 2.651 268 S HA 0.263 4.733 4.470 -0.001 0.000 0.279 268 S C -0.386 174.142 174.600 -0.120 0.000 1.148 268 S CA -0.409 57.550 58.200 -0.401 0.000 0.837 268 S CB 0.358 63.276 63.200 -0.469 0.000 1.138 268 S HN 0.282 nan 8.310 nan 0.000 0.478 269 Y N 0.712 120.975 120.300 -0.062 0.000 2.466 269 Y HA 0.312 4.861 4.550 -0.001 0.000 0.272 269 Y C 0.468 176.456 175.900 0.146 0.000 1.169 269 Y CA -0.618 57.476 58.100 -0.010 0.000 1.285 269 Y CB -1.023 37.341 38.460 -0.160 0.000 1.078 269 Y HN 0.536 nan 8.280 nan 0.000 0.523 270 D N 0.733 121.137 120.400 0.008 0.000 2.369 270 D HA -0.044 4.596 4.640 -0.001 0.000 0.241 270 D C 1.219 177.655 176.300 0.227 0.000 1.271 270 D CA -0.330 53.768 54.000 0.165 0.000 0.942 270 D CB 0.805 41.660 40.800 0.092 0.000 1.129 270 D HN 0.258 nan 8.370 nan 0.000 0.476 271 I N -0.291 120.391 120.570 0.186 0.000 2.252 271 I HA -0.131 4.038 4.170 -0.001 0.000 0.245 271 I C -0.757 175.410 176.117 0.083 0.000 1.102 271 I CA 0.712 62.108 61.300 0.160 0.000 1.385 271 I CB -1.181 36.900 38.000 0.136 0.000 1.064 271 I HN 0.334 nan 8.210 nan 0.000 0.414 272 P HA -0.171 nan 4.420 nan 0.000 0.218 272 P C 0.599 177.614 177.300 -0.475 0.000 1.146 272 P CA 1.665 64.603 63.100 -0.269 0.000 0.813 272 P CB -0.141 31.400 31.700 -0.265 0.000 0.778 273 H N -2.924 116.149 119.070 0.004 0.000 2.486 273 H HA 0.225 4.781 4.556 -0.001 0.000 0.284 273 H C 0.901 176.326 175.328 0.161 0.000 1.103 273 H CA 0.600 56.660 56.048 0.019 0.000 1.089 273 H CB -0.247 29.590 29.762 0.126 0.000 1.603 273 H HN 0.121 nan 8.280 nan 0.000 0.557 274 T N -4.288 110.386 114.554 0.199 0.000 2.986 274 T HA -0.033 4.317 4.350 -0.001 0.000 0.264 274 T C 1.833 176.660 174.700 0.212 0.000 0.964 274 T CA 0.367 62.612 62.100 0.242 0.000 0.895 274 T CB -0.707 68.296 68.868 0.225 0.000 1.163 274 T HN 0.514 nan 8.240 nan 0.000 0.517 275 c N 1.743 120.440 118.600 0.162 0.000 2.514 275 c HA 0.685 5.255 4.570 -0.001 0.000 0.271 275 c C 1.375 175.594 174.090 0.215 0.000 1.399 275 c CA 0.375 56.840 56.329 0.225 0.000 1.765 275 c CB -1.265 41.340 42.510 0.158 0.000 1.893 275 c HN 0.905 nan 8.230 nan 0.000 0.531 276 G N -0.376 108.481 108.800 0.095 0.000 2.327 276 G HA2 0.345 4.305 3.960 -0.001 0.000 0.291 276 G HA3 0.345 4.305 3.960 -0.001 0.000 0.291 276 G C -2.703 171.833 174.900 -0.608 0.000 1.290 276 G CA 0.203 45.299 45.100 -0.006 0.000 0.857 276 G HN -0.098 nan 8.290 nan 0.000 0.520 277 P HA 0.092 nan 4.420 nan 0.000 0.229 277 P C -0.093 176.792 177.300 -0.692 0.000 1.160 277 P CA 1.114 63.538 63.100 -1.126 0.000 0.777 277 P CB 0.337 31.716 31.700 -0.535 0.000 0.814 278 D N 0.717 120.824 120.400 -0.488 0.000 2.460 278 D HA 0.143 4.783 4.640 -0.001 0.000 0.232 278 D C -1.526 174.436 176.300 -0.564 0.000 1.079 278 D CA -2.614 51.138 54.000 -0.414 0.000 0.864 278 D CB 1.400 42.042 40.800 -0.263 0.000 1.048 278 D HN -0.010 nan 8.370 nan 0.000 0.523 279 P HA -0.132 nan 4.420 nan 0.000 0.221 279 P C 1.236 177.725 177.300 -1.352 0.000 1.150 279 P CA 0.633 62.988 63.100 -1.242 0.000 0.800 279 P CB 0.499 31.147 31.700 -1.753 0.000 0.787 280 K N 0.379 120.106 120.400 -1.122 0.000 2.147 280 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 280 K C 1.761 178.182 176.600 -0.299 0.000 1.049 280 K CA 1.124 57.072 56.287 -0.565 0.000 0.936 280 K CB -0.229 32.120 32.500 -0.252 0.000 0.722 280 K HN -0.058 nan 8.250 nan 0.000 0.446 281 V N 0.403 120.142 119.914 -0.292 0.000 2.331 281 V HA -0.227 3.893 4.120 -0.001 0.000 0.242 281 V C 2.421 178.488 176.094 -0.045 0.000 1.034 281 V CA 1.365 63.591 62.300 -0.123 0.000 1.027 281 V CB -0.307 31.458 31.823 -0.097 0.000 0.667 281 V HN 0.474 nan 8.190 nan 0.000 0.457 282 c N -0.654 117.847 118.600 -0.164 0.000 2.422 282 c HA -0.198 4.371 4.570 -0.001 0.000 0.279 282 c C 2.986 177.056 174.090 -0.034 0.000 1.305 282 c CA 0.813 57.112 56.329 -0.049 0.000 1.757 282 c CB -1.490 40.914 42.510 -0.177 0.000 1.962 282 c HN 0.768 nan 8.230 nan 0.000 0.499 283 c N 0.815 119.310 118.600 -0.175 0.000 2.410 283 c HA -0.149 4.421 4.570 -0.001 0.000 0.281 283 c C 2.580 176.566 174.090 -0.174 0.000 1.318 283 c CA 1.242 57.516 56.329 -0.092 0.000 1.776 283 c CB -1.461 41.083 42.510 0.057 0.000 1.942 283 c HN 0.642 nan 8.230 nan 0.000 0.508 284 Q N -1.383 118.256 119.800 -0.269 0.000 2.515 284 Q HA 0.005 4.345 4.340 -0.001 0.000 0.212 284 Q C 0.621 175.928 176.000 -1.155 0.000 0.970 284 Q CA 0.931 56.374 55.803 -0.599 0.000 0.941 284 Q CB 0.002 28.372 28.738 -0.614 0.000 0.998 284 Q HN 0.747 nan 8.270 nan 0.000 0.518 285 F N -0.396 119.264 119.950 -0.483 0.000 2.698 285 F HA 0.167 4.694 4.527 -0.001 0.000 0.304 285 F C 0.230 175.754 175.800 -0.459 0.000 1.108 285 F CA -0.600 57.013 58.000 -0.645 0.000 1.263 285 F CB 0.777 39.643 39.000 -0.223 0.000 1.013 285 F HN -0.145 nan 8.300 nan 0.000 0.532 286 D N 0.163 120.352 120.400 -0.352 0.000 2.485 286 D HA 0.128 4.768 4.640 -0.001 0.000 0.221 286 D C 0.532 176.653 176.300 -0.297 0.000 1.112 286 D CA -0.325 53.573 54.000 -0.169 0.000 0.911 286 D CB 0.058 40.818 40.800 -0.068 0.000 1.019 286 D HN 0.086 nan 8.370 nan 0.000 0.516 287 F N 1.679 121.629 119.950 0.001 0.000 2.771 287 F HA 0.080 4.606 4.527 -0.001 0.000 0.299 287 F C 2.307 178.047 175.800 -0.101 0.000 1.177 287 F CA 0.332 58.303 58.000 -0.048 0.000 1.450 287 F CB 0.036 39.027 39.000 -0.015 0.000 1.114 287 F HN 0.249 nan 8.300 nan 0.000 0.587 288 K N 0.561 120.891 120.400 -0.117 0.000 2.487 288 K HA 0.064 4.384 4.320 -0.001 0.000 0.192 288 K C 1.081 177.641 176.600 -0.067 0.000 1.027 288 K CA 0.241 56.327 56.287 -0.335 0.000 1.054 288 K CB 0.131 32.299 32.500 -0.553 0.000 0.824 288 K HN 0.197 nan 8.250 nan 0.000 0.510 289 R N 0.012 120.499 120.500 -0.021 0.000 2.609 289 R HA 0.213 4.552 4.340 -0.001 0.000 0.326 289 R C 0.897 177.218 176.300 0.036 0.000 1.090 289 R CA -0.170 55.937 56.100 0.012 0.000 1.072 289 R CB 0.298 30.581 30.300 -0.027 0.000 1.330 289 R HN 0.180 nan 8.270 nan 0.000 0.572 290 M N -1.151 118.506 119.600 0.094 0.000 2.541 290 M HA 0.161 4.641 4.480 -0.001 0.000 0.252 290 M C 1.198 177.537 176.300 0.064 0.000 1.125 290 M CA 0.923 56.266 55.300 0.071 0.000 1.091 290 M CB 0.820 33.475 32.600 0.092 0.000 1.420 290 M HN 0.478 nan 8.290 nan 0.000 0.486 291 G N -0.015 108.840 108.800 0.091 0.000 3.465 291 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.196 291 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.196 291 G C 0.992 175.909 174.900 0.027 0.000 1.170 291 G CA 0.239 45.367 45.100 0.047 0.000 0.887 291 G HN 0.392 nan 8.290 nan 0.000 0.444 292 S N 0.304 115.992 115.700 -0.020 0.000 2.469 292 S HA 0.171 4.640 4.470 -0.001 0.000 0.238 292 S C 1.725 176.153 174.600 -0.287 0.000 0.998 292 S CA 1.595 59.684 58.200 -0.184 0.000 0.957 292 S CB -0.438 62.577 63.200 -0.307 0.000 0.764 292 S HN 0.376 nan 8.310 nan 0.000 0.514 293 F N 1.749 121.694 119.950 -0.008 0.000 2.727 293 F HA 0.437 4.963 4.527 -0.001 0.000 0.302 293 F C 1.856 177.650 175.800 -0.009 0.000 1.097 293 F CA -0.071 57.922 58.000 -0.011 0.000 1.330 293 F CB -0.112 38.878 39.000 -0.017 0.000 1.084 293 F HN 0.349 nan 8.300 nan 0.000 0.578 294 G N 1.267 110.138 108.800 0.119 0.000 2.160 294 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.251 294 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.251 294 G C -0.105 174.842 174.900 0.079 0.000 1.008 294 G CA 0.087 45.231 45.100 0.073 0.000 0.724 294 G HN 0.317 nan 8.290 nan 0.000 0.514 295 L N 0.114 121.397 121.223 0.101 0.000 2.333 295 L HA 0.857 5.196 4.340 -0.001 0.000 0.269 295 L C 0.520 177.419 176.870 0.048 0.000 1.010 295 L CA -0.386 54.494 54.840 0.067 0.000 0.818 295 L CB 2.304 44.398 42.059 0.059 0.000 1.306 295 L HN 0.439 nan 8.230 nan 0.000 0.430 296 S N -0.564 115.151 115.700 0.026 0.000 2.671 296 S HA 0.539 5.008 4.470 -0.001 0.000 0.277 296 S C -1.182 173.426 174.600 0.013 0.000 1.165 296 S CA -0.804 57.403 58.200 0.012 0.000 0.822 296 S CB 1.650 64.849 63.200 -0.003 0.000 1.150 296 S HN 0.531 nan 8.310 nan 0.000 0.479 297 c N 2.781 121.393 118.600 0.021 0.000 2.265 297 c HA 0.537 5.107 4.570 -0.001 0.000 0.332 297 c C -1.219 172.848 174.090 -0.039 0.000 1.248 297 c CA -1.080 55.297 56.329 0.079 0.000 1.727 297 c CB 0.652 43.252 42.510 0.150 0.000 2.348 297 c HN 0.761 nan 8.230 nan 0.000 0.519 298 P HA -0.096 nan 4.420 nan 0.000 0.221 298 P C 1.202 178.187 177.300 -0.525 0.000 1.145 298 P CA 1.306 64.095 63.100 -0.517 0.000 0.795 298 P CB 0.029 31.193 31.700 -0.893 0.000 0.775 299 W N 0.042 121.319 121.300 -0.038 0.000 3.077 299 W HA 0.147 4.807 4.660 -0.001 0.000 0.245 299 W C 0.586 177.077 176.519 -0.045 0.000 1.316 299 W CA 0.223 57.541 57.345 -0.046 0.000 1.537 299 W CB -0.621 28.802 29.460 -0.061 0.000 1.131 299 W HN 0.125 nan 8.180 nan 0.000 0.695 300 K N -0.836 119.610 120.400 0.076 0.000 3.391 300 K HA -0.179 4.141 4.320 -0.001 0.000 0.307 300 K C -0.458 176.163 176.600 0.036 0.000 1.304 300 K CA 0.475 56.780 56.287 0.030 0.000 0.904 300 K CB -2.022 30.483 32.500 0.008 0.000 1.293 300 K HN -0.101 nan 8.250 nan 0.000 0.470 301 V N 1.554 121.502 119.914 0.057 0.000 2.407 301 V HA 0.338 4.458 4.120 -0.001 0.000 0.291 301 V C -1.758 174.322 176.094 -0.023 0.000 1.018 301 V CA -1.527 60.778 62.300 0.007 0.000 0.842 301 V CB 1.485 33.306 31.823 -0.004 0.000 0.996 301 V HN -0.021 nan 8.190 nan 0.000 0.426 302 P HA 0.444 nan 4.420 nan 0.000 0.278 302 P C -2.875 174.330 177.300 -0.159 0.000 1.258 302 P CA -2.150 60.905 63.100 -0.074 0.000 0.811 302 P CB 0.485 32.157 31.700 -0.048 0.000 1.063 303 P HA 0.268 nan 4.420 nan 0.000 0.272 303 P C -0.261 176.932 177.300 -0.178 0.000 1.223 303 P CA 0.142 63.027 63.100 -0.359 0.000 0.784 303 P CB 0.564 31.995 31.700 -0.448 0.000 0.923 304 R N 0.335 120.741 120.500 -0.157 0.000 2.670 304 R HA 0.448 4.787 4.340 -0.001 0.000 0.289 304 R C -0.247 176.111 176.300 0.096 0.000 0.965 304 R CA -0.693 55.390 56.100 -0.029 0.000 0.899 304 R CB 1.321 31.584 30.300 -0.061 0.000 1.173 304 R HN 0.352 nan 8.270 nan 0.000 0.456 305 T N 3.606 118.210 114.554 0.082 0.000 2.928 305 T HA 0.082 4.432 4.350 -0.001 0.000 0.305 305 T C 0.679 175.373 174.700 -0.011 0.000 1.035 305 T CA 0.063 62.189 62.100 0.043 0.000 1.145 305 T CB 0.196 69.069 68.868 0.008 0.000 0.963 305 T HN 0.188 nan 8.240 nan 0.000 0.545 306 I N 3.930 124.446 120.570 -0.090 0.000 2.496 306 I HA 0.246 4.416 4.170 -0.001 0.000 0.285 306 I C 0.987 177.057 176.117 -0.079 0.000 1.080 306 I CA 0.029 61.276 61.300 -0.089 0.000 1.404 306 I CB 0.372 38.280 38.000 -0.153 0.000 1.403 306 I HN 0.745 nan 8.210 nan 0.000 0.539 307 S N 3.730 119.395 115.700 -0.058 0.000 2.667 307 S HA 0.430 4.900 4.470 -0.001 0.000 0.292 307 S C 0.358 174.929 174.600 -0.047 0.000 1.126 307 S CA -0.766 57.407 58.200 -0.045 0.000 0.881 307 S CB 2.153 65.334 63.200 -0.032 0.000 1.132 307 S HN 0.504 nan 8.310 nan 0.000 0.492 308 D N 0.636 121.018 120.400 -0.031 0.000 2.265 308 D HA -0.058 4.581 4.640 -0.001 0.000 0.208 308 D C 1.504 177.783 176.300 -0.034 0.000 0.977 308 D CA 1.399 55.384 54.000 -0.026 0.000 0.871 308 D CB -0.179 40.619 40.800 -0.003 0.000 0.925 308 D HN 0.535 nan 8.370 nan 0.000 0.485 309 Q N -0.020 119.761 119.800 -0.031 0.000 2.354 309 Q HA -0.001 4.338 4.340 -0.001 0.000 0.203 309 Q C 1.293 177.270 176.000 -0.037 0.000 0.933 309 Q CA 0.725 56.512 55.803 -0.027 0.000 0.901 309 Q CB -0.018 28.709 28.738 -0.018 0.000 1.007 309 Q HN 0.355 nan 8.270 nan 0.000 0.495 310 N N -1.441 117.230 118.700 -0.048 0.000 2.197 310 N HA -0.014 4.725 4.740 -0.001 0.000 0.201 310 N C 1.141 176.605 175.510 -0.076 0.000 1.148 310 N CA 0.148 53.169 53.050 -0.048 0.000 0.883 310 N CB -0.229 38.237 38.487 -0.035 0.000 1.012 310 N HN 0.046 nan 8.380 nan 0.000 0.507 311 V N 0.567 120.403 119.914 -0.130 0.000 2.407 311 V HA -0.126 3.993 4.120 -0.001 0.000 0.248 311 V C 2.270 178.156 176.094 -0.348 0.000 1.055 311 V CA 2.087 64.256 62.300 -0.218 0.000 1.049 311 V CB -0.912 30.759 31.823 -0.254 0.000 0.662 311 V HN 0.435 nan 8.190 nan 0.000 0.455 312 A N -0.098 122.492 122.820 -0.383 0.000 1.877 312 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 312 A C 2.433 180.048 177.584 0.052 0.000 1.186 312 A CA 2.340 54.263 52.037 -0.190 0.000 0.620 312 A CB -1.115 17.887 19.000 0.003 0.000 0.822 312 A HN 0.830 nan 8.150 nan 0.000 0.443 313 A N -0.724 122.109 122.820 0.022 0.000 1.930 313 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 313 A C 2.234 179.855 177.584 0.063 0.000 1.175 313 A CA 1.307 53.377 52.037 0.055 0.000 0.627 313 A CB -0.422 18.595 19.000 0.027 0.000 0.815 313 A HN 0.427 nan 8.150 nan 0.000 0.443 314 R N 0.100 120.629 120.500 0.049 0.000 2.073 314 R HA -0.065 4.275 4.340 -0.001 0.000 0.234 314 R C 2.412 178.749 176.300 0.062 0.000 1.134 314 R CA 1.613 57.796 56.100 0.139 0.000 0.952 314 R CB -0.979 29.407 30.300 0.143 0.000 0.850 314 R HN 0.530 nan 8.270 nan 0.000 0.433 315 S N 1.359 117.045 115.700 -0.024 0.000 2.368 315 S HA -0.120 4.349 4.470 -0.001 0.000 0.225 315 S C 1.359 175.840 174.600 -0.197 0.000 1.030 315 S CA 1.328 59.423 58.200 -0.176 0.000 0.999 315 S CB -0.239 62.996 63.200 0.058 0.000 0.844 315 S HN 0.269 nan 8.310 nan 0.000 0.459 316 D N 1.602 122.083 120.400 0.136 0.000 2.116 316 D HA -0.108 4.531 4.640 -0.001 0.000 0.193 316 D C 1.896 178.205 176.300 0.015 0.000 0.998 316 D CA 0.929 55.062 54.000 0.222 0.000 0.836 316 D CB -0.448 40.482 40.800 0.217 0.000 0.951 316 D HN 0.287 nan 8.370 nan 0.000 0.449 317 L N -0.113 121.089 121.223 -0.036 0.000 2.056 317 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 317 L C 2.398 179.092 176.870 -0.294 0.000 1.078 317 L CA 0.529 55.323 54.840 -0.076 0.000 0.749 317 L CB -0.164 41.919 42.059 0.040 0.000 0.901 317 L HN 0.080 nan 8.230 nan 0.000 0.433 318 L N -0.877 119.994 121.223 -0.588 0.000 2.044 318 L HA -0.116 4.223 4.340 -0.001 0.000 0.205 318 L C 2.323 178.520 176.870 -1.122 0.000 1.075 318 L CA 1.542 55.717 54.840 -1.109 0.000 0.747 318 L CB -0.377 40.727 42.059 -1.592 0.000 0.903 318 L HN -0.086 nan 8.230 nan 0.000 0.435 319 V N 0.170 119.521 119.914 -0.938 0.000 2.392 319 V HA -0.322 3.798 4.120 -0.001 0.000 0.249 319 V C 2.322 178.244 176.094 -0.286 0.000 1.059 319 V CA 1.980 63.881 62.300 -0.665 0.000 1.051 319 V CB -0.856 30.527 31.823 -0.734 0.000 0.658 319 V HN 0.616 nan 8.190 nan 0.000 0.455 320 D N -0.863 119.434 120.400 -0.173 0.000 2.117 320 D HA -0.200 4.440 4.640 -0.001 0.000 0.197 320 D C 2.219 178.502 176.300 -0.028 0.000 0.987 320 D CA 1.120 55.135 54.000 0.025 0.000 0.829 320 D CB -0.026 40.847 40.800 0.121 0.000 0.961 320 D HN 0.299 nan 8.370 nan 0.000 0.460 321 Q N -0.357 119.359 119.800 -0.140 0.000 2.030 321 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 321 Q C 2.159 178.180 176.000 0.036 0.000 0.986 321 Q CA 1.102 56.846 55.803 -0.099 0.000 0.843 321 Q CB -0.709 27.909 28.738 -0.200 0.000 0.904 321 Q HN 0.554 nan 8.270 nan 0.000 0.420 322 W N 1.395 122.593 121.300 -0.171 0.000 2.338 322 W HA -0.119 4.541 4.660 -0.001 0.000 0.304 322 W C 2.108 178.512 176.519 -0.192 0.000 1.212 322 W CA 0.810 58.052 57.345 -0.172 0.000 1.264 322 W CB -0.649 28.679 29.460 -0.220 0.000 1.142 322 W HN 0.231 nan 8.180 nan 0.000 0.512 323 K N 0.049 120.411 120.400 -0.063 0.000 2.155 323 K HA -0.119 4.200 4.320 -0.001 0.000 0.203 323 K C 1.960 178.405 176.600 -0.258 0.000 1.052 323 K CA 1.088 57.174 56.287 -0.334 0.000 0.948 323 K CB -0.148 31.834 32.500 -0.863 0.000 0.728 323 K HN 0.054 nan 8.250 nan 0.000 0.448 324 K N 0.984 121.329 120.400 -0.091 0.000 2.001 324 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 324 K C 2.085 178.759 176.600 0.123 0.000 1.048 324 K CA 1.263 57.623 56.287 0.121 0.000 0.932 324 K CB -0.024 32.561 32.500 0.142 0.000 0.715 324 K HN -0.006 nan 8.250 nan 0.000 0.437 325 K N 0.722 121.198 120.400 0.128 0.000 2.074 325 K HA -0.168 4.151 4.320 -0.001 0.000 0.209 325 K C 2.046 178.761 176.600 0.192 0.000 1.048 325 K CA 1.443 57.828 56.287 0.163 0.000 0.926 325 K CB -0.140 32.469 32.500 0.181 0.000 0.713 325 K HN 0.169 nan 8.250 nan 0.000 0.444 326 A N 0.998 123.910 122.820 0.155 0.000 2.070 326 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 326 A C 1.737 179.485 177.584 0.274 0.000 1.159 326 A CA 1.321 53.483 52.037 0.208 0.000 0.656 326 A CB -0.308 18.760 19.000 0.114 0.000 0.800 326 A HN 0.284 nan 8.150 nan 0.000 0.453 327 E N 0.007 120.348 120.200 0.234 0.000 2.268 327 E HA -0.060 4.289 4.350 -0.001 0.000 0.195 327 E C 1.619 178.348 176.600 0.215 0.000 0.995 327 E CA 0.591 57.142 56.400 0.251 0.000 0.836 327 E CB -0.232 29.641 29.700 0.287 0.000 0.763 327 E HN 0.714 nan 8.360 nan 0.000 0.491 328 L N -0.528 120.781 121.223 0.143 0.000 2.599 328 L HA 0.025 4.365 4.340 -0.001 0.000 0.230 328 L C 0.156 176.826 176.870 -0.333 0.000 1.141 328 L CA 0.275 55.070 54.840 -0.075 0.000 0.877 328 L CB -0.081 41.816 42.059 -0.270 0.000 1.009 328 L HN 0.011 nan 8.230 nan 0.000 0.447 329 Y N -1.726 118.656 120.300 0.138 0.000 2.633 329 Y HA 0.376 4.926 4.550 -0.001 0.000 0.339 329 Y C 1.132 177.146 175.900 0.191 0.000 1.045 329 Y CA -0.966 57.236 58.100 0.169 0.000 1.098 329 Y CB 1.201 39.771 38.460 0.183 0.000 1.296 329 Y HN -0.289 nan 8.280 nan 0.000 0.494 330 R N -0.542 120.201 120.500 0.405 0.000 2.265 330 R HA 0.092 4.431 4.340 -0.001 0.000 0.194 330 R C 0.294 176.722 176.300 0.212 0.000 0.931 330 R CA 0.711 56.953 56.100 0.237 0.000 1.032 330 R CB 0.319 30.689 30.300 0.116 0.000 0.980 330 R HN 0.760 nan 8.270 nan 0.000 0.497 331 T N -0.925 113.798 114.554 0.281 0.000 2.922 331 T HA 0.100 4.449 4.350 -0.001 0.000 0.281 331 T C 0.657 175.503 174.700 0.242 0.000 1.005 331 T CA -0.943 61.290 62.100 0.223 0.000 0.982 331 T CB 1.255 70.233 68.868 0.183 0.000 1.158 331 T HN 0.076 nan 8.240 nan 0.000 0.566 332 N N 0.146 118.964 118.700 0.197 0.000 2.322 332 N HA 0.114 4.854 4.740 -0.001 0.000 0.216 332 N C -0.686 174.811 175.510 -0.022 0.000 1.144 332 N CA -0.334 52.800 53.050 0.140 0.000 0.830 332 N CB -0.141 38.356 38.487 0.017 0.000 1.034 332 N HN 0.375 nan 8.380 nan 0.000 0.484 333 V N 1.359 121.292 119.914 0.032 0.000 2.444 333 V HA 0.401 4.521 4.120 -0.001 0.000 0.294 333 V C -0.641 175.536 176.094 0.138 0.000 1.022 333 V CA -0.987 61.329 62.300 0.027 0.000 0.850 333 V CB 1.604 33.430 31.823 0.006 0.000 0.992 333 V HN 0.170 nan 8.190 nan 0.000 0.426 334 L N 5.863 127.099 121.223 0.021 0.000 2.333 334 L HA 0.680 5.019 4.340 -0.001 0.000 0.280 334 L C -0.813 175.913 176.870 -0.239 0.000 1.004 334 L CA -0.454 54.318 54.840 -0.113 0.000 0.820 334 L CB 1.603 43.489 42.059 -0.289 0.000 1.247 334 L HN 0.640 nan 8.230 nan 0.000 0.416 335 L N 6.528 127.397 121.223 -0.590 0.000 2.265 335 L HA 0.540 4.879 4.340 -0.001 0.000 0.288 335 L C -0.995 175.576 176.870 -0.499 0.000 1.058 335 L CA 0.179 54.505 54.840 -0.856 0.000 0.809 335 L CB 0.661 41.695 42.059 -1.710 0.000 1.179 335 L HN 0.442 nan 8.230 nan 0.000 0.429 336 I N 7.511 127.875 120.570 -0.344 0.000 2.502 336 I HA 0.343 4.513 4.170 -0.001 0.000 0.276 336 I C -2.259 173.832 176.117 -0.044 0.000 1.057 336 I CA -2.065 59.126 61.300 -0.181 0.000 1.163 336 I CB 0.949 38.821 38.000 -0.215 0.000 1.288 336 I HN 0.427 nan 8.210 nan 0.000 0.479 337 P HA 0.136 nan 4.420 nan 0.000 0.269 337 P C -0.435 177.039 177.300 0.290 0.000 1.209 337 P CA -0.218 63.013 63.100 0.218 0.000 0.776 337 P CB 0.828 32.707 31.700 0.297 0.000 0.876 338 L N 2.847 124.281 121.223 0.352 0.000 2.454 338 L HA 0.756 5.095 4.340 -0.001 0.000 0.258 338 L C -0.103 176.841 176.870 0.123 0.000 1.025 338 L CA 0.389 55.365 54.840 0.226 0.000 0.901 338 L CB 0.492 42.615 42.059 0.107 0.000 1.210 338 L HN 0.621 nan 8.230 nan 0.000 0.457 339 G N 1.695 110.461 108.800 -0.057 0.000 2.342 339 G HA2 0.469 4.429 3.960 -0.001 0.000 0.297 339 G HA3 0.469 4.429 3.960 -0.001 0.000 0.297 339 G C -2.179 172.627 174.900 -0.157 0.000 1.313 339 G CA -0.232 44.600 45.100 -0.446 0.000 0.830 339 G HN 0.388 nan 8.290 nan 0.000 0.506 340 D N -1.765 118.602 120.400 -0.055 0.000 2.992 340 D HA 0.309 4.948 4.640 -0.001 0.000 0.349 340 D C -1.524 174.920 176.300 0.240 0.000 1.393 340 D CA -0.440 53.700 54.000 0.235 0.000 0.887 340 D CB 1.423 42.306 40.800 0.139 0.000 1.447 340 D HN 0.213 nan 8.370 nan 0.000 0.524 341 D N 0.372 120.962 120.400 0.316 0.000 2.417 341 D HA 0.236 4.875 4.640 -0.001 0.000 0.250 341 D C 0.133 176.597 176.300 0.274 0.000 1.166 341 D CA 0.464 54.639 54.000 0.291 0.000 0.881 341 D CB -0.287 40.776 40.800 0.438 0.000 1.164 341 D HN 0.329 nan 8.370 nan 0.000 0.467 342 F N 0.332 120.346 119.950 0.106 0.000 3.090 342 F HA -0.305 4.222 4.527 -0.001 0.000 0.282 342 F C 1.066 176.907 175.800 0.069 0.000 0.923 342 F CA 0.552 58.591 58.000 0.066 0.000 0.977 342 F CB -0.970 38.053 39.000 0.038 0.000 0.954 342 F HN 0.239 nan 8.300 nan 0.000 0.695 343 R N -0.418 120.172 120.500 0.151 0.000 2.649 343 R HA 0.468 4.808 4.340 -0.001 0.000 0.270 343 R C 0.695 177.028 176.300 0.055 0.000 1.105 343 R CA -0.651 55.422 56.100 -0.044 0.000 1.193 343 R CB -0.060 30.097 30.300 -0.238 0.000 1.120 343 R HN 0.203 nan 8.270 nan 0.000 0.561 344 F N -0.840 118.961 119.950 -0.248 0.000 3.056 344 F HA -0.265 4.262 4.527 -0.001 0.000 0.301 344 F C 1.334 177.115 175.800 -0.033 0.000 0.907 344 F CA 0.982 58.653 58.000 -0.549 0.000 1.113 344 F CB -1.179 37.238 39.000 -0.971 0.000 1.123 344 F HN 0.618 nan 8.300 nan 0.000 0.661 345 K N -0.008 120.460 120.400 0.113 0.000 2.078 345 K HA 0.066 4.385 4.320 -0.001 0.000 0.203 345 K C 0.773 177.526 176.600 0.255 0.000 1.043 345 K CA 0.907 57.329 56.287 0.225 0.000 0.960 345 K CB 0.222 32.822 32.500 0.167 0.000 0.761 345 K HN 0.452 nan 8.250 nan 0.000 0.448 346 Q N 0.275 120.198 119.800 0.204 0.000 2.227 346 Q HA 0.144 4.483 4.340 -0.001 0.000 0.245 346 Q C 0.206 176.404 176.000 0.330 0.000 0.926 346 Q CA -0.324 55.621 55.803 0.236 0.000 0.895 346 Q CB 1.457 30.346 28.738 0.252 0.000 1.230 346 Q HN 0.252 nan 8.270 nan 0.000 0.450 347 N N -0.059 118.803 118.700 0.270 0.000 2.104 347 N HA -0.216 4.523 4.740 -0.001 0.000 0.190 347 N C 1.557 177.233 175.510 0.277 0.000 1.024 347 N CA 1.978 55.187 53.050 0.266 0.000 0.853 347 N CB -0.022 38.567 38.487 0.171 0.000 1.008 347 N HN 0.686 nan 8.380 nan 0.000 0.424 348 T N -1.364 113.346 114.554 0.260 0.000 2.881 348 T HA -0.147 4.203 4.350 -0.001 0.000 0.270 348 T C 1.634 176.541 174.700 0.346 0.000 1.068 348 T CA 1.048 63.321 62.100 0.289 0.000 1.131 348 T CB -0.191 68.834 68.868 0.261 0.000 0.871 348 T HN 0.322 nan 8.240 nan 0.000 0.479 349 E N -0.157 120.198 120.200 0.259 0.000 2.072 349 E HA -0.106 4.243 4.350 -0.001 0.000 0.190 349 E C 1.807 178.321 176.600 -0.142 0.000 0.982 349 E CA 0.765 57.075 56.400 -0.150 0.000 0.803 349 E CB -0.268 29.174 29.700 -0.431 0.000 0.755 349 E HN 0.705 nan 8.360 nan 0.000 0.453 350 W N 1.770 122.997 121.300 -0.122 0.000 2.335 350 W HA -0.195 4.465 4.660 -0.001 0.000 0.311 350 W C 2.143 178.518 176.519 -0.239 0.000 1.213 350 W CA 1.303 58.467 57.345 -0.302 0.000 1.274 350 W CB -0.244 28.677 29.460 -0.899 0.000 1.148 350 W HN 0.187 nan 8.180 nan 0.000 0.498 351 D N -0.560 119.949 120.400 0.181 0.000 2.097 351 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 351 D C 2.276 178.678 176.300 0.171 0.000 0.989 351 D CA 1.506 55.664 54.000 0.264 0.000 0.827 351 D CB -0.987 39.965 40.800 0.254 0.000 0.966 351 D HN 0.033 nan 8.370 nan 0.000 0.456 352 V N 0.994 120.989 119.914 0.135 0.000 2.427 352 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 352 V C 2.209 178.340 176.094 0.062 0.000 1.051 352 V CA 1.551 63.907 62.300 0.093 0.000 1.048 352 V CB -0.074 31.848 31.823 0.165 0.000 0.666 352 V HN 0.156 nan 8.190 nan 0.000 0.456 353 Q N -0.252 119.626 119.800 0.129 0.000 2.020 353 Q HA -0.192 4.147 4.340 -0.001 0.000 0.198 353 Q C 2.346 178.562 176.000 0.360 0.000 0.974 353 Q CA 1.888 57.870 55.803 0.299 0.000 0.829 353 Q CB -0.496 28.410 28.738 0.281 0.000 0.894 353 Q HN 0.619 nan 8.270 nan 0.000 0.433 354 R N 0.590 121.272 120.500 0.304 0.000 2.073 354 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 354 R C 2.258 178.737 176.300 0.298 0.000 1.134 354 R CA 1.423 57.757 56.100 0.390 0.000 0.952 354 R CB -0.107 30.427 30.300 0.390 0.000 0.850 354 R HN 0.062 nan 8.270 nan 0.000 0.433 355 V N 1.978 121.985 119.914 0.155 0.000 2.307 355 V HA -0.241 3.879 4.120 -0.001 0.000 0.245 355 V C 2.029 178.058 176.094 -0.108 0.000 1.045 355 V CA 1.920 64.249 62.300 0.048 0.000 1.024 355 V CB -0.629 31.212 31.823 0.029 0.000 0.651 355 V HN 0.446 nan 8.190 nan 0.000 0.449 356 N N -0.668 117.850 118.700 -0.304 0.000 2.120 356 N HA -0.183 4.557 4.740 -0.001 0.000 0.188 356 N C 1.852 177.019 175.510 -0.572 0.000 1.024 356 N CA 1.707 54.352 53.050 -0.675 0.000 0.852 356 N CB -0.352 37.115 38.487 -1.699 0.000 1.003 356 N HN 0.523 nan 8.380 nan 0.000 0.424 357 Y N 1.980 122.080 120.300 -0.333 0.000 2.181 357 Y HA -0.099 4.451 4.550 -0.001 0.000 0.288 357 Y C 2.376 177.733 175.900 -0.904 0.000 1.146 357 Y CA 1.109 58.889 58.100 -0.532 0.000 1.164 357 Y CB -0.162 38.075 38.460 -0.372 0.000 0.982 357 Y HN 0.147 nan 8.280 nan 0.000 0.515 358 E N -0.299 119.728 120.200 -0.289 0.000 2.110 358 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 358 E C 2.240 178.784 176.600 -0.093 0.000 0.988 358 E CA 0.970 57.288 56.400 -0.138 0.000 0.804 358 E CB -0.169 29.599 29.700 0.114 0.000 0.745 358 E HN 0.457 nan 8.360 nan 0.000 0.458 359 R N 0.409 120.836 120.500 -0.122 0.000 2.081 359 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 359 R C 2.472 178.746 176.300 -0.043 0.000 1.131 359 R CA 0.916 56.976 56.100 -0.067 0.000 0.960 359 R CB -0.291 29.948 30.300 -0.101 0.000 0.856 359 R HN 0.175 nan 8.270 nan 0.000 0.436 360 L N -0.379 120.754 121.223 -0.150 0.000 2.017 360 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 360 L C 2.184 179.119 176.870 0.109 0.000 1.073 360 L CA 1.176 55.971 54.840 -0.075 0.000 0.745 360 L CB -0.431 41.509 42.059 -0.198 0.000 0.894 360 L HN 0.076 nan 8.230 nan 0.000 0.432 361 F N 0.238 120.213 119.950 0.041 0.000 2.134 361 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 361 F C 2.641 178.454 175.800 0.021 0.000 1.097 361 F CA 1.287 59.296 58.000 0.016 0.000 1.264 361 F CB -0.987 37.979 39.000 -0.057 0.000 1.001 361 F HN 0.201 nan 8.300 nan 0.000 0.479 362 E N -0.711 119.623 120.200 0.223 0.000 2.077 362 E HA -0.291 4.058 4.350 -0.001 0.000 0.193 362 E C 2.212 178.902 176.600 0.149 0.000 0.989 362 E CA 1.507 57.997 56.400 0.150 0.000 0.800 362 E CB -0.231 29.539 29.700 0.116 0.000 0.746 362 E HN 0.512 nan 8.360 nan 0.000 0.452 363 H N 0.237 119.360 119.070 0.087 0.000 2.299 363 H HA -0.059 4.497 4.556 -0.001 0.000 0.302 363 H C 2.050 177.466 175.328 0.147 0.000 1.078 363 H CA 2.229 58.341 56.048 0.105 0.000 1.323 363 H CB -0.196 29.623 29.762 0.097 0.000 1.381 363 H HN 0.148 nan 8.280 nan 0.000 0.498 364 I N 0.427 121.076 120.570 0.131 0.000 2.226 364 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 364 I C 1.634 177.785 176.117 0.057 0.000 1.100 364 I CA 1.318 62.660 61.300 0.070 0.000 1.374 364 I CB -0.290 37.694 38.000 -0.026 0.000 1.057 364 I HN 0.366 nan 8.210 nan 0.000 0.413 365 N N 0.260 118.984 118.700 0.040 0.000 2.396 365 N HA -0.099 4.640 4.740 -0.001 0.000 0.180 365 N C 1.822 177.319 175.510 -0.021 0.000 1.028 365 N CA 1.415 54.462 53.050 -0.005 0.000 0.893 365 N CB -0.189 38.287 38.487 -0.018 0.000 0.967 365 N HN 0.390 nan 8.380 nan 0.000 0.440 366 S N -0.995 114.687 115.700 -0.030 0.000 2.535 366 S HA 0.146 4.616 4.470 -0.001 0.000 0.214 366 S C 0.524 175.075 174.600 -0.081 0.000 0.980 366 S CA -0.167 58.007 58.200 -0.044 0.000 0.907 366 S CB 0.277 63.463 63.200 -0.023 0.000 0.790 366 S HN -0.027 nan 8.310 nan 0.000 0.510 367 Q N 1.342 121.065 119.800 -0.128 0.000 2.465 367 Q HA 0.537 4.877 4.340 -0.001 0.000 0.237 367 Q C 0.890 176.758 176.000 -0.219 0.000 1.051 367 Q CA 0.075 55.760 55.803 -0.198 0.000 0.874 367 Q CB 1.167 29.674 28.738 -0.386 0.000 1.207 367 Q HN 0.459 nan 8.270 nan 0.000 0.508 368 A N 2.503 125.260 122.820 -0.106 0.000 1.978 368 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 368 A C 1.633 179.162 177.584 -0.092 0.000 1.170 368 A CA 2.053 54.045 52.037 -0.075 0.000 0.636 368 A CB -0.697 18.284 19.000 -0.032 0.000 0.810 368 A HN 0.885 nan 8.150 nan 0.000 0.448 369 H N -3.157 115.833 119.070 -0.133 0.000 2.457 369 H HA -0.092 4.463 4.556 -0.001 0.000 0.297 369 H C 1.388 176.656 175.328 -0.099 0.000 1.092 369 H CA 1.655 57.612 56.048 -0.151 0.000 1.309 369 H CB -0.605 29.013 29.762 -0.240 0.000 1.382 369 H HN 0.417 nan 8.280 nan 0.000 0.535 370 F N 0.889 120.542 119.950 -0.495 0.000 2.259 370 F HA -0.002 4.524 4.527 -0.001 0.000 0.298 370 F C 0.801 176.547 175.800 -0.091 0.000 1.088 370 F CA 0.757 58.608 58.000 -0.248 0.000 1.358 370 F CB -0.359 38.472 39.000 -0.283 0.000 1.040 370 F HN 0.183 nan 8.300 nan 0.000 0.505 371 N N 0.539 119.284 118.700 0.075 0.000 2.725 371 N HA -0.169 4.571 4.740 -0.001 0.000 0.251 371 N C -0.975 174.526 175.510 -0.015 0.000 1.031 371 N CA 0.456 53.535 53.050 0.048 0.000 0.720 371 N CB -1.523 37.038 38.487 0.123 0.000 0.930 371 N HN 0.040 nan 8.380 nan 0.000 0.543 372 V N 0.593 120.491 119.914 -0.027 0.000 2.680 372 V HA 0.396 4.515 4.120 -0.001 0.000 0.309 372 V C 0.210 176.223 176.094 -0.135 0.000 1.052 372 V CA -0.675 61.556 62.300 -0.116 0.000 0.908 372 V CB 2.422 34.212 31.823 -0.055 0.000 1.001 372 V HN 0.194 nan 8.190 nan 0.000 0.431 373 Q N 3.119 122.779 119.800 -0.232 0.000 2.339 373 Q HA 0.748 5.088 4.340 -0.001 0.000 0.268 373 Q C -0.793 174.947 176.000 -0.432 0.000 1.027 373 Q CA -0.136 55.504 55.803 -0.271 0.000 0.759 373 Q CB 1.603 30.187 28.738 -0.257 0.000 1.244 373 Q HN 0.988 nan 8.270 nan 0.000 0.464 374 A N 4.380 126.932 122.820 -0.447 0.000 2.350 374 A HA 0.900 5.220 4.320 -0.001 0.000 0.324 374 A C -1.184 175.715 177.584 -1.142 0.000 1.118 374 A CA -0.505 51.096 52.037 -0.726 0.000 0.783 374 A CB 1.206 19.954 19.000 -0.420 0.000 1.236 374 A HN 0.783 nan 8.150 nan 0.000 0.457 375 Q N 1.041 120.071 119.800 -1.285 0.000 2.633 375 Q HA 0.446 4.785 4.340 -0.001 0.000 0.289 375 Q C -1.707 173.868 176.000 -0.710 0.000 0.940 375 Q CA -0.703 54.401 55.803 -1.164 0.000 0.785 375 Q CB 0.504 28.921 28.738 -0.535 0.000 1.467 375 Q HN 0.380 nan 8.270 nan 0.000 0.401 376 F N 0.514 120.384 119.950 -0.133 0.000 2.518 376 F HA 0.634 5.160 4.527 -0.001 0.000 0.359 376 F C 1.221 177.075 175.800 0.089 0.000 1.118 376 F CA 1.420 59.464 58.000 0.072 0.000 1.287 376 F CB 0.962 40.062 39.000 0.166 0.000 1.132 376 F HN 0.748 nan 8.300 nan 0.000 0.587 377 G N 0.329 109.319 108.800 0.317 0.000 2.687 377 G HA2 0.605 4.564 3.960 -0.001 0.000 0.291 377 G HA3 0.605 4.564 3.960 -0.001 0.000 0.291 377 G C -1.081 173.817 174.900 -0.002 0.000 1.420 377 G CA -0.637 44.579 45.100 0.194 0.000 0.796 377 G HN 0.713 nan 8.290 nan 0.000 0.485 378 T N -1.853 112.617 114.554 -0.140 0.000 2.937 378 T HA 0.472 4.822 4.350 -0.001 0.000 0.283 378 T C 1.328 175.864 174.700 -0.275 0.000 1.012 378 T CA -0.428 61.553 62.100 -0.199 0.000 0.997 378 T CB 1.513 70.280 68.868 -0.169 0.000 1.136 378 T HN 0.592 nan 8.240 nan 0.000 0.551 379 L N 0.568 121.630 121.223 -0.269 0.000 2.017 379 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 379 L C 2.781 179.588 176.870 -0.104 0.000 1.073 379 L CA 2.036 56.740 54.840 -0.226 0.000 0.745 379 L CB -1.144 40.818 42.059 -0.161 0.000 0.894 379 L HN 0.896 nan 8.230 nan 0.000 0.432 380 Q N -0.067 119.708 119.800 -0.041 0.000 2.124 380 Q HA -0.231 4.108 4.340 -0.001 0.000 0.202 380 Q C 2.107 178.033 176.000 -0.123 0.000 0.977 380 Q CA 2.046 57.858 55.803 0.016 0.000 0.850 380 Q CB -0.184 28.543 28.738 -0.019 0.000 0.901 380 Q HN 0.642 nan 8.270 nan 0.000 0.429 381 E N -1.260 118.772 120.200 -0.280 0.000 2.077 381 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 381 E C 1.677 177.830 176.600 -0.745 0.000 0.989 381 E CA 1.086 57.200 56.400 -0.477 0.000 0.800 381 E CB -0.293 29.036 29.700 -0.619 0.000 0.746 381 E HN 0.457 nan 8.360 nan 0.000 0.452 382 Y N 0.716 120.474 120.300 -0.904 0.000 2.070 382 Y HA -0.291 4.259 4.550 -0.001 0.000 0.280 382 Y C 1.895 177.498 175.900 -0.494 0.000 1.148 382 Y CA 1.688 59.297 58.100 -0.819 0.000 1.125 382 Y CB -0.563 37.433 38.460 -0.773 0.000 0.975 382 Y HN -0.049 nan 8.280 nan 0.000 0.492 383 F N 0.883 120.568 119.950 -0.443 0.000 2.171 383 F HA -0.192 4.334 4.527 -0.001 0.000 0.300 383 F C 2.268 177.843 175.800 -0.376 0.000 1.090 383 F CA 1.769 59.492 58.000 -0.460 0.000 1.293 383 F CB -0.841 38.079 39.000 -0.133 0.000 1.013 383 F HN 0.117 nan 8.300 nan 0.000 0.486 384 D N -0.048 120.296 120.400 -0.093 0.000 2.117 384 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 384 D C 2.357 178.583 176.300 -0.123 0.000 0.987 384 D CA 1.475 55.433 54.000 -0.070 0.000 0.829 384 D CB -0.557 40.192 40.800 -0.085 0.000 0.961 384 D HN 0.244 nan 8.370 nan 0.000 0.460 385 A N 0.470 123.163 122.820 -0.211 0.000 1.929 385 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 385 A C 2.515 179.982 177.584 -0.195 0.000 1.176 385 A CA 0.817 52.774 52.037 -0.133 0.000 0.628 385 A CB -0.625 18.371 19.000 -0.006 0.000 0.816 385 A HN 0.124 nan 8.150 nan 0.000 0.444 386 V N -0.007 119.654 119.914 -0.421 0.000 2.287 386 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 386 V C 2.408 178.303 176.094 -0.331 0.000 1.053 386 V CA 2.170 64.207 62.300 -0.438 0.000 1.027 386 V CB -0.991 30.383 31.823 -0.748 0.000 0.646 386 V HN 0.658 nan 8.190 nan 0.000 0.447 387 H N -0.392 118.556 119.070 -0.204 0.000 2.462 387 H HA -0.051 4.504 4.556 -0.001 0.000 0.292 387 H C 2.397 177.687 175.328 -0.063 0.000 1.049 387 H CA 1.227 57.188 56.048 -0.145 0.000 1.334 387 H CB -0.024 29.613 29.762 -0.209 0.000 1.404 387 H HN 0.562 nan 8.280 nan 0.000 0.544 388 Q N 0.416 120.230 119.800 0.024 0.000 2.084 388 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 388 Q C 2.567 178.584 176.000 0.030 0.000 0.978 388 Q CA 1.323 57.138 55.803 0.021 0.000 0.844 388 Q CB -0.002 28.738 28.738 0.004 0.000 0.898 388 Q HN 0.392 nan 8.270 nan 0.000 0.426 389 A N 1.096 123.929 122.820 0.021 0.000 1.902 389 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 389 A C 1.951 179.568 177.584 0.055 0.000 1.181 389 A CA 1.591 53.655 52.037 0.045 0.000 0.623 389 A CB -0.579 18.452 19.000 0.051 0.000 0.818 389 A HN 0.437 nan 8.150 nan 0.000 0.443 390 E N -0.206 120.043 120.200 0.082 0.000 2.049 390 E HA -0.257 4.093 4.350 -0.001 0.000 0.198 390 E C 2.268 178.912 176.600 0.074 0.000 1.007 390 E CA 1.482 57.945 56.400 0.106 0.000 0.809 390 E CB -0.152 29.712 29.700 0.272 0.000 0.749 390 E HN 0.581 nan 8.360 nan 0.000 0.450 391 R N -0.316 120.229 120.500 0.074 0.000 2.120 391 R HA -0.071 4.268 4.340 -0.001 0.000 0.234 391 R C 2.197 178.518 176.300 0.034 0.000 1.123 391 R CA 0.869 56.998 56.100 0.049 0.000 0.975 391 R CB -0.213 30.110 30.300 0.039 0.000 0.866 391 R HN 0.154 nan 8.270 nan 0.000 0.446 392 A N 0.312 123.154 122.820 0.035 0.000 2.239 392 A HA 0.117 4.436 4.320 -0.001 0.000 0.209 392 A C 1.419 179.017 177.584 0.023 0.000 1.171 392 A CA 0.915 52.970 52.037 0.030 0.000 0.768 392 A CB -0.315 18.709 19.000 0.039 0.000 0.790 392 A HN 0.479 nan 8.150 nan 0.000 0.478 393 G N -1.158 107.653 108.800 0.019 0.000 2.143 393 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.248 393 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.248 393 G C 0.731 175.628 174.900 -0.006 0.000 0.991 393 G CA 0.631 45.733 45.100 0.004 0.000 0.689 393 G HN 0.611 nan 8.290 nan 0.000 0.522 394 Q N -0.442 119.361 119.800 0.004 0.000 2.389 394 Q HA 0.540 4.879 4.340 -0.001 0.000 0.204 394 Q C 0.936 176.917 176.000 -0.031 0.000 0.944 394 Q CA 1.356 57.166 55.803 0.011 0.000 0.908 394 Q CB 0.066 28.845 28.738 0.068 0.000 1.002 394 Q HN 1.406 nan 8.270 nan 0.000 0.493 395 A N 1.009 123.770 122.820 -0.098 0.000 2.594 395 A HA 0.444 4.763 4.320 -0.001 0.000 0.296 395 A C -1.602 175.768 177.584 -0.357 0.000 1.061 395 A CA -0.888 51.000 52.037 -0.249 0.000 0.689 395 A CB 1.169 19.960 19.000 -0.347 0.000 1.280 395 A HN 0.308 nan 8.150 nan 0.000 0.406 396 E N 0.944 120.912 120.200 -0.386 0.000 2.256 396 E HA 0.780 5.130 4.350 -0.001 0.000 0.267 396 E C -1.674 174.708 176.600 -0.364 0.000 0.892 396 E CA -0.611 55.618 56.400 -0.286 0.000 0.775 396 E CB 1.798 31.451 29.700 -0.078 0.000 1.207 396 E HN 0.339 nan 8.360 nan 0.000 0.420 397 F N 1.553 121.605 119.950 0.171 0.000 2.458 397 F HA 0.422 4.948 4.527 -0.000 0.000 0.330 397 F C -1.877 174.018 175.800 0.158 0.000 1.082 397 F CA -2.292 55.828 58.000 0.201 0.000 0.995 397 F CB 1.246 40.436 39.000 0.317 0.000 1.170 397 F HN 0.352 nan 8.300 nan 0.000 0.478 398 P HA 0.178 nan 4.420 nan 0.000 0.274 398 P C -0.656 176.780 177.300 0.228 0.000 1.237 398 P CA -0.368 62.859 63.100 0.212 0.000 0.793 398 P CB 0.899 32.695 31.700 0.160 0.000 0.977 399 T N -0.417 114.225 114.554 0.147 0.000 2.907 399 T HA 0.670 5.019 4.350 -0.001 0.000 0.284 399 T C -0.234 174.496 174.700 0.051 0.000 1.004 399 T CA -0.792 61.386 62.100 0.130 0.000 1.063 399 T CB 1.035 69.957 68.868 0.091 0.000 0.992 399 T HN 0.465 nan 8.240 nan 0.000 0.483 400 L N 1.707 122.956 121.223 0.045 0.000 2.472 400 L HA 0.708 5.048 4.340 -0.001 0.000 0.260 400 L C -0.714 176.143 176.870 -0.022 0.000 0.963 400 L CA -0.432 54.325 54.840 -0.138 0.000 0.829 400 L CB 2.192 43.920 42.059 -0.551 0.000 1.348 400 L HN 1.111 nan 8.230 nan 0.000 0.408 401 S N 2.410 118.056 115.700 -0.090 0.000 2.632 401 S HA 1.062 5.532 4.470 -0.001 0.000 0.289 401 S C -0.344 174.184 174.600 -0.120 0.000 1.115 401 S CA -0.046 58.161 58.200 0.012 0.000 0.889 401 S CB 2.075 65.245 63.200 -0.051 0.000 1.116 401 S HN 1.671 nan 8.310 nan 0.000 0.486 402 G N 0.955 109.740 108.800 -0.025 0.000 2.343 402 G HA2 0.330 4.290 3.960 -0.001 0.000 0.562 402 G HA3 0.330 4.290 3.960 -0.001 0.000 0.562 402 G C -1.775 173.018 174.900 -0.179 0.000 1.269 402 G CA -0.033 44.947 45.100 -0.200 0.000 1.011 402 G HN 1.252 nan 8.290 nan 0.000 0.498 403 D N -1.861 118.303 120.400 -0.394 0.000 2.654 403 D HA 0.762 5.401 4.640 -0.001 0.000 0.255 403 D C -0.568 175.195 176.300 -0.895 0.000 1.101 403 D CA -1.041 52.733 54.000 -0.377 0.000 1.116 403 D CB 1.054 41.821 40.800 -0.055 0.000 1.348 403 D HN 0.358 nan 8.370 nan 0.000 0.609 404 F N -0.594 119.221 119.950 -0.224 0.000 2.761 404 F HA 0.393 4.919 4.527 -0.001 0.000 0.367 404 F C -0.957 174.669 175.800 -0.291 0.000 1.386 404 F CA -0.657 57.214 58.000 -0.215 0.000 1.177 404 F CB 0.124 39.029 39.000 -0.159 0.000 1.092 404 F HN 0.009 nan 8.300 nan 0.000 0.517 405 F N -0.736 119.389 119.950 0.291 0.000 2.538 405 F HA 0.575 5.102 4.527 -0.001 0.000 0.325 405 F C 0.647 176.697 175.800 0.417 0.000 1.066 405 F CA -1.369 56.872 58.000 0.401 0.000 0.946 405 F CB 1.504 40.733 39.000 0.382 0.000 1.199 405 F HN -0.301 nan 8.300 nan 0.000 0.473 406 T N 1.787 116.716 114.554 0.625 0.000 2.799 406 T HA 0.175 4.525 4.350 -0.001 0.000 0.286 406 T C -0.970 174.197 174.700 0.778 0.000 0.973 406 T CA -0.215 62.325 62.100 0.734 0.000 1.035 406 T CB 0.164 69.326 68.868 0.490 0.000 0.932 406 T HN 0.372 nan 8.240 nan 0.000 0.469 407 Y N 3.004 123.637 120.300 0.554 0.000 2.497 407 Y HA 0.414 4.963 4.550 -0.001 0.000 0.334 407 Y C -0.122 175.826 175.900 0.079 0.000 1.199 407 Y CA -1.061 57.193 58.100 0.255 0.000 1.425 407 Y CB 0.126 38.619 38.460 0.055 0.000 1.291 407 Y HN 0.671 nan 8.280 nan 0.000 0.562 408 A N 5.169 127.551 122.820 -0.730 0.000 2.374 408 A HA 0.364 4.683 4.320 -0.001 0.000 0.305 408 A C -0.073 176.891 177.584 -1.034 0.000 1.053 408 A CA -0.247 51.193 52.037 -0.995 0.000 0.726 408 A CB 0.724 18.879 19.000 -1.409 0.000 1.229 408 A HN 0.804 nan 8.150 nan 0.000 0.431 409 D N 1.504 121.442 120.400 -0.770 0.000 2.346 409 D HA 0.058 4.698 4.640 -0.001 0.000 0.206 409 D C 0.504 176.825 176.300 0.035 0.000 1.001 409 D CA 0.480 54.280 54.000 -0.333 0.000 0.871 409 D CB 0.185 40.895 40.800 -0.150 0.000 0.943 409 D HN 0.731 nan 8.370 nan 0.000 0.518 410 R N -2.182 118.281 120.500 -0.061 0.000 2.687 410 R HA 0.407 4.746 4.340 -0.001 0.000 0.265 410 R C -0.180 176.024 176.300 -0.160 0.000 1.048 410 R CA -0.183 55.732 56.100 -0.309 0.000 0.884 410 R CB 0.865 31.052 30.300 -0.187 0.000 1.258 410 R HN -0.111 nan 8.270 nan 0.000 0.469 411 S N 0.307 115.858 115.700 -0.248 0.000 3.938 411 S HA -0.289 4.180 4.470 -0.001 0.000 0.624 411 S C 0.328 175.015 174.600 0.144 0.000 2.186 411 S CA 1.893 60.090 58.200 -0.004 0.000 4.144 411 S CB -1.127 62.055 63.200 -0.030 0.000 0.230 411 S HN 1.099 nan 8.310 nan 0.000 0.755 412 D N 1.431 121.905 120.400 0.122 0.000 2.463 412 D HA 0.218 4.858 4.640 -0.001 0.000 0.224 412 D C -0.021 176.394 176.300 0.192 0.000 1.174 412 D CA -0.171 53.969 54.000 0.233 0.000 0.829 412 D CB -1.436 39.484 40.800 0.200 0.000 0.993 412 D HN 0.502 nan 8.370 nan 0.000 0.497 413 N N 0.911 119.628 118.700 0.028 0.000 2.663 413 N HA 0.069 4.809 4.740 -0.001 0.000 0.250 413 N C -0.983 174.565 175.510 0.064 0.000 1.129 413 N CA -0.289 52.783 53.050 0.037 0.000 0.995 413 N CB 0.214 38.709 38.487 0.014 0.000 1.324 413 N HN 0.135 nan 8.380 nan 0.000 0.512 414 Y N 0.194 120.589 120.300 0.158 0.000 2.323 414 Y HA 0.166 4.716 4.550 -0.001 0.000 0.331 414 Y C -0.018 176.090 175.900 0.347 0.000 1.092 414 Y CA -0.673 57.584 58.100 0.261 0.000 1.150 414 Y CB 0.766 39.323 38.460 0.162 0.000 1.200 414 Y HN 0.399 nan 8.280 nan 0.000 0.472 415 W N 2.286 123.724 121.300 0.229 0.000 1.705 415 W HA 0.257 4.916 4.660 -0.001 0.000 0.361 415 W C 0.777 177.341 176.519 0.074 0.000 0.690 415 W CA -0.699 56.802 57.345 0.261 0.000 1.989 415 W CB -0.254 29.465 29.460 0.431 0.000 1.903 415 W HN 0.543 nan 8.180 nan 0.000 0.364 416 S N -2.064 113.661 115.700 0.043 0.000 2.556 416 S HA 0.131 4.600 4.470 -0.001 0.000 0.216 416 S C 1.907 176.219 174.600 -0.480 0.000 0.970 416 S CA 0.349 58.192 58.200 -0.595 0.000 0.912 416 S CB 0.225 63.393 63.200 -0.053 0.000 0.790 416 S HN 0.334 nan 8.310 nan 0.000 0.504 417 G N 1.917 110.645 108.800 -0.120 0.000 2.408 417 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.217 417 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.217 417 G C 1.232 176.103 174.900 -0.048 0.000 1.150 417 G CA 0.802 45.843 45.100 -0.097 0.000 0.776 417 G HN 0.786 nan 8.290 nan 0.000 0.542 418 Y N -0.456 119.809 120.300 -0.058 0.000 2.632 418 Y HA 0.155 4.704 4.550 -0.001 0.000 0.301 418 Y C 1.717 177.739 175.900 0.204 0.000 1.172 418 Y CA -0.401 57.746 58.100 0.080 0.000 1.328 418 Y CB -0.339 38.247 38.460 0.210 0.000 1.016 418 Y HN 0.175 nan 8.280 nan 0.000 0.529 419 Y N 0.491 120.579 120.300 -0.353 0.000 2.571 419 Y HA 0.008 4.558 4.550 -0.001 0.000 0.294 419 Y C 1.651 177.495 175.900 -0.094 0.000 1.141 419 Y CA 0.529 58.447 58.100 -0.302 0.000 1.308 419 Y CB -0.588 37.737 38.460 -0.225 0.000 1.002 419 Y HN 0.308 nan 8.280 nan 0.000 0.551 420 T N -2.725 111.888 114.554 0.099 0.000 2.966 420 T HA 0.079 4.428 4.350 -0.001 0.000 0.254 420 T C 0.700 175.481 174.700 0.135 0.000 0.961 420 T CA -0.085 62.075 62.100 0.101 0.000 0.915 420 T CB 0.061 68.955 68.868 0.044 0.000 1.186 420 T HN -0.083 nan 8.240 nan 0.000 0.505 421 S N 2.469 118.247 115.700 0.130 0.000 2.558 421 S HA 0.198 4.667 4.470 -0.001 0.000 0.293 421 S C 0.409 175.139 174.600 0.217 0.000 1.292 421 S CA 0.017 58.306 58.200 0.148 0.000 1.063 421 S CB 0.098 63.372 63.200 0.123 0.000 0.831 421 S HN 0.400 nan 8.310 nan 0.000 0.499 422 R N 1.090 121.735 120.500 0.241 0.000 3.205 422 R HA -0.122 4.217 4.340 -0.001 0.000 0.249 422 R C -2.011 174.530 176.300 0.403 0.000 0.937 422 R CA 0.684 57.001 56.100 0.361 0.000 0.641 422 R CB -1.757 28.789 30.300 0.411 0.000 1.114 422 R HN 0.506 nan 8.270 nan 0.000 0.451 423 P HA -0.209 nan 4.420 nan 0.000 0.223 423 P C 1.114 178.613 177.300 0.331 0.000 1.151 423 P CA 0.896 64.205 63.100 0.349 0.000 0.787 423 P CB -0.013 31.937 31.700 0.417 0.000 0.788 424 Y N 1.618 121.994 120.300 0.126 0.000 2.114 424 Y HA -0.270 4.280 4.550 -0.001 0.000 0.282 424 Y C 2.266 178.142 175.900 -0.040 0.000 1.165 424 Y CA 2.139 60.231 58.100 -0.013 0.000 1.148 424 Y CB -0.921 37.398 38.460 -0.236 0.000 0.972 424 Y HN 0.072 nan 8.280 nan 0.000 0.504 425 H N -0.945 118.351 119.070 0.377 0.000 2.470 425 H HA 0.033 4.589 4.556 -0.001 0.000 0.289 425 H C 2.035 177.484 175.328 0.201 0.000 1.033 425 H CA 1.145 57.325 56.048 0.221 0.000 1.331 425 H CB -0.074 29.882 29.762 0.324 0.000 1.414 425 H HN 0.242 nan 8.280 nan 0.000 0.545 426 K N 0.418 121.029 120.400 0.352 0.000 2.063 426 K HA -0.180 4.140 4.320 -0.001 0.000 0.208 426 K C 2.233 178.881 176.600 0.080 0.000 1.048 426 K CA 1.401 57.834 56.287 0.245 0.000 0.928 426 K CB 0.056 32.683 32.500 0.211 0.000 0.713 426 K HN 0.046 nan 8.250 nan 0.000 0.442 427 R N 1.295 121.807 120.500 0.021 0.000 2.073 427 R HA 0.029 4.368 4.340 -0.001 0.000 0.229 427 R C 2.061 178.096 176.300 -0.441 0.000 1.120 427 R CA 1.317 57.359 56.100 -0.095 0.000 0.967 427 R CB -0.408 29.928 30.300 0.060 0.000 0.862 427 R HN 0.144 nan 8.270 nan 0.000 0.436 428 M N 0.407 119.599 119.600 -0.679 0.000 2.149 428 M HA -0.221 4.259 4.480 -0.001 0.000 0.261 428 M C 1.423 177.344 176.300 -0.632 0.000 1.064 428 M CA 2.456 57.092 55.300 -1.106 0.000 1.102 428 M CB -0.332 31.805 32.600 -0.773 0.000 1.369 428 M HN 0.298 nan 8.290 nan 0.000 0.408 429 D N -0.380 119.848 120.400 -0.286 0.000 2.123 429 D HA -0.211 4.429 4.640 -0.001 0.000 0.196 429 D C 1.877 178.082 176.300 -0.158 0.000 0.992 429 D CA 1.375 55.318 54.000 -0.095 0.000 0.833 429 D CB 0.134 41.041 40.800 0.178 0.000 0.954 429 D HN 0.205 nan 8.370 nan 0.000 0.455 430 R N -0.010 120.380 120.500 -0.182 0.000 2.119 430 R HA 0.025 4.364 4.340 -0.001 0.000 0.222 430 R C 2.388 178.573 176.300 -0.192 0.000 1.088 430 R CA 0.360 56.368 56.100 -0.154 0.000 0.984 430 R CB -0.871 29.361 30.300 -0.114 0.000 0.884 430 R HN 0.254 nan 8.270 nan 0.000 0.447 431 V N 1.461 121.161 119.914 -0.356 0.000 2.261 431 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 431 V C 2.343 178.262 176.094 -0.293 0.000 1.047 431 V CA 1.513 63.585 62.300 -0.380 0.000 1.015 431 V CB -0.588 30.709 31.823 -0.876 0.000 0.642 431 V HN 0.137 nan 8.190 nan 0.000 0.446 432 L N -0.333 120.641 121.223 -0.415 0.000 2.131 432 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 432 L C 2.301 179.095 176.870 -0.128 0.000 1.092 432 L CA 1.986 56.650 54.840 -0.293 0.000 0.759 432 L CB -0.672 41.204 42.059 -0.305 0.000 0.903 432 L HN 0.344 nan 8.230 nan 0.000 0.435 433 M N -1.266 118.258 119.600 -0.126 0.000 2.082 433 M HA -0.326 4.154 4.480 -0.001 0.000 0.258 433 M C 2.375 178.628 176.300 -0.079 0.000 1.069 433 M CA 2.437 57.666 55.300 -0.118 0.000 1.102 433 M CB -0.418 32.082 32.600 -0.167 0.000 1.336 433 M HN 0.560 nan 8.290 nan 0.000 0.404 434 H N -0.769 118.258 119.070 -0.071 0.000 2.395 434 H HA -0.145 4.411 4.556 -0.001 0.000 0.299 434 H C 1.431 176.800 175.328 0.067 0.000 1.070 434 H CA 2.255 58.292 56.048 -0.017 0.000 1.356 434 H CB -0.313 29.447 29.762 -0.003 0.000 1.401 434 H HN 0.480 nan 8.280 nan 0.000 0.524 435 Y N -0.493 119.649 120.300 -0.263 0.000 2.293 435 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 435 Y C 2.683 178.453 175.900 -0.216 0.000 1.137 435 Y CA 1.122 59.076 58.100 -0.243 0.000 1.202 435 Y CB -0.450 37.931 38.460 -0.131 0.000 0.990 435 Y HN 0.122 nan 8.280 nan 0.000 0.537 436 V N 0.137 120.034 119.914 -0.029 0.000 2.307 436 V HA -0.300 3.820 4.120 -0.001 0.000 0.245 436 V C 2.523 178.550 176.094 -0.110 0.000 1.045 436 V CA 2.139 64.395 62.300 -0.074 0.000 1.024 436 V CB -0.580 31.191 31.823 -0.087 0.000 0.651 436 V HN 0.302 nan 8.190 nan 0.000 0.449 437 R N 0.499 120.912 120.500 -0.145 0.000 2.083 437 R HA -0.203 4.136 4.340 -0.001 0.000 0.237 437 R C 2.224 178.451 176.300 -0.120 0.000 1.137 437 R CA 2.018 58.038 56.100 -0.133 0.000 0.951 437 R CB -0.506 29.715 30.300 -0.132 0.000 0.851 437 R HN 0.462 nan 8.270 nan 0.000 0.434 438 A N 0.542 123.230 122.820 -0.220 0.000 1.930 438 A HA -0.018 4.302 4.320 -0.001 0.000 0.217 438 A C 2.364 179.898 177.584 -0.083 0.000 1.175 438 A CA 1.487 53.461 52.037 -0.104 0.000 0.627 438 A CB -0.687 18.180 19.000 -0.222 0.000 0.815 438 A HN 0.578 nan 8.150 nan 0.000 0.443 439 A N -0.053 122.706 122.820 -0.103 0.000 1.873 439 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 439 A C 1.928 179.459 177.584 -0.089 0.000 1.186 439 A CA 1.554 53.541 52.037 -0.082 0.000 0.616 439 A CB -0.521 18.439 19.000 -0.067 0.000 0.823 439 A HN 0.612 nan 8.150 nan 0.000 0.442 440 E N -0.989 119.155 120.200 -0.093 0.000 2.110 440 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 440 E C 2.050 178.580 176.600 -0.118 0.000 0.988 440 E CA 1.378 57.715 56.400 -0.105 0.000 0.804 440 E CB -0.251 29.388 29.700 -0.101 0.000 0.745 440 E HN 0.754 nan 8.360 nan 0.000 0.458 441 M N 0.674 120.226 119.600 -0.081 0.000 2.098 441 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 441 M C 2.162 178.440 176.300 -0.036 0.000 1.072 441 M CA 1.297 56.548 55.300 -0.082 0.000 1.133 441 M CB 0.052 32.701 32.600 0.081 0.000 1.344 441 M HN 0.071 nan 8.290 nan 0.000 0.414 442 L N 0.102 121.358 121.223 0.054 0.000 2.079 442 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 442 L C 2.650 179.664 176.870 0.241 0.000 1.081 442 L CA 1.760 56.689 54.840 0.148 0.000 0.752 442 L CB -0.552 41.445 42.059 -0.103 0.000 0.896 442 L HN 0.522 nan 8.230 nan 0.000 0.433 443 S N -0.981 114.783 115.700 0.106 0.000 2.496 443 S HA 0.059 4.528 4.470 -0.001 0.000 0.224 443 S C 2.007 176.767 174.600 0.268 0.000 0.996 443 S CA 0.388 58.727 58.200 0.231 0.000 0.927 443 S CB -0.022 63.114 63.200 -0.107 0.000 0.774 443 S HN 0.295 nan 8.310 nan 0.000 0.524 444 A N 0.942 123.736 122.820 -0.043 0.000 2.019 444 A HA 0.056 4.376 4.320 -0.001 0.000 0.219 444 A C 1.713 179.159 177.584 -0.230 0.000 1.164 444 A CA 0.900 52.809 52.037 -0.214 0.000 0.644 444 A CB -1.206 17.524 19.000 -0.449 0.000 0.805 444 A HN 0.773 nan 8.150 nan 0.000 0.449 445 W N -0.760 120.532 121.300 -0.013 0.000 2.392 445 W HA -0.017 4.642 4.660 -0.001 0.000 0.279 445 W C 0.982 177.269 176.519 -0.386 0.000 1.225 445 W CA 1.023 58.258 57.345 -0.184 0.000 1.233 445 W CB -0.170 29.130 29.460 -0.268 0.000 1.122 445 W HN 0.398 nan 8.180 nan 0.000 0.561 446 H N -2.301 116.821 119.070 0.086 0.000 2.771 446 H HA 0.360 4.916 4.556 -0.001 0.000 0.367 446 H C -0.408 174.818 175.328 -0.170 0.000 1.172 446 H CA -0.949 54.995 56.048 -0.174 0.000 1.186 446 H CB 1.759 31.180 29.762 -0.569 0.000 1.790 446 H HN -0.436 nan 8.280 nan 0.000 0.556 447 S N 0.896 116.555 115.700 -0.067 0.000 2.537 447 S HA 0.263 4.733 4.470 -0.001 0.000 0.275 447 S C -1.329 173.159 174.600 -0.187 0.000 1.272 447 S CA -0.647 57.533 58.200 -0.034 0.000 1.050 447 S CB 0.188 63.378 63.200 -0.016 0.000 0.961 447 S HN 0.386 nan 8.310 nan 0.000 0.496 448 W N 2.462 123.760 121.300 -0.002 0.000 2.632 448 W HA 0.353 5.013 4.660 -0.001 0.000 0.328 448 W C 0.230 176.706 176.519 -0.071 0.000 1.044 448 W CA -0.802 56.514 57.345 -0.049 0.000 1.225 448 W CB 0.610 30.006 29.460 -0.107 0.000 1.396 448 W HN 0.590 nan 8.180 nan 0.000 0.499 449 D N 1.267 121.745 120.400 0.131 0.000 2.472 449 D HA -0.044 4.596 4.640 -0.001 0.000 0.237 449 D C 1.460 177.765 176.300 0.007 0.000 1.141 449 D CA 1.063 55.105 54.000 0.070 0.000 0.875 449 D CB 1.521 42.389 40.800 0.113 0.000 1.192 449 D HN 0.713 nan 8.370 nan 0.000 0.450 450 G N 3.926 112.740 108.800 0.023 0.000 2.475 450 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 450 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 450 G C 1.455 176.337 174.900 -0.030 0.000 1.125 450 G CA 0.444 45.546 45.100 0.002 0.000 0.755 450 G HN 0.502 nan 8.290 nan 0.000 0.565 451 M N 0.992 120.588 119.600 -0.007 0.000 2.549 451 M HA 0.125 4.605 4.480 -0.001 0.000 0.260 451 M C 2.742 178.978 176.300 -0.107 0.000 1.076 451 M CA 0.702 56.024 55.300 0.037 0.000 1.090 451 M CB -0.839 31.876 32.600 0.192 0.000 1.418 451 M HN 0.317 nan 8.290 nan 0.000 0.486 452 A N -0.010 122.501 122.820 -0.514 0.000 2.119 452 A HA -0.029 4.291 4.320 -0.001 0.000 0.216 452 A C 1.276 178.651 177.584 -0.348 0.000 1.152 452 A CA 0.343 51.832 52.037 -0.914 0.000 0.708 452 A CB -0.345 17.970 19.000 -1.141 0.000 0.805 452 A HN 0.579 nan 8.150 nan 0.000 0.460 453 R N -1.715 118.663 120.500 -0.203 0.000 3.641 453 R HA -0.184 4.156 4.340 -0.001 0.000 0.286 453 R C 0.673 176.868 176.300 -0.175 0.000 1.153 453 R CA 0.709 56.734 56.100 -0.125 0.000 0.775 453 R CB -2.034 28.228 30.300 -0.062 0.000 1.215 453 R HN 0.475 nan 8.270 nan 0.000 0.474 454 I N 0.497 120.908 120.570 -0.265 0.000 2.163 454 I HA -0.188 3.981 4.170 -0.001 0.000 0.240 454 I C 2.148 178.137 176.117 -0.213 0.000 1.081 454 I CA 1.676 62.765 61.300 -0.352 0.000 1.353 454 I CB -0.707 36.916 38.000 -0.629 0.000 1.054 454 I HN 0.200 nan 8.210 nan 0.000 0.407 455 E N 0.693 120.808 120.200 -0.141 0.000 2.110 455 E HA -0.235 4.115 4.350 -0.001 0.000 0.193 455 E C 2.113 178.667 176.600 -0.077 0.000 0.988 455 E CA 1.209 57.555 56.400 -0.089 0.000 0.804 455 E CB -0.226 29.447 29.700 -0.045 0.000 0.745 455 E HN 0.463 nan 8.360 nan 0.000 0.458 456 E N 0.326 120.484 120.200 -0.070 0.000 2.051 456 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 456 E C 1.923 178.484 176.600 -0.065 0.000 0.991 456 E CA 1.063 57.432 56.400 -0.052 0.000 0.799 456 E CB 0.113 29.789 29.700 -0.040 0.000 0.748 456 E HN -0.033 nan 8.360 nan 0.000 0.449 457 R N 0.286 120.736 120.500 -0.084 0.000 2.092 457 R HA 0.010 4.350 4.340 -0.001 0.000 0.231 457 R C 2.373 178.620 176.300 -0.088 0.000 1.119 457 R CA 0.797 56.849 56.100 -0.080 0.000 0.970 457 R CB -0.512 29.735 30.300 -0.089 0.000 0.864 457 R HN 0.273 nan 8.270 nan 0.000 0.440 458 L N -0.063 121.097 121.223 -0.106 0.000 2.093 458 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 458 L C 2.350 179.156 176.870 -0.106 0.000 1.085 458 L CA 1.511 56.287 54.840 -0.107 0.000 0.755 458 L CB -0.403 41.586 42.059 -0.117 0.000 0.904 458 L HN 0.301 nan 8.230 nan 0.000 0.435 459 E N 0.091 120.232 120.200 -0.098 0.000 2.072 459 E HA -0.294 4.056 4.350 -0.001 0.000 0.191 459 E C 2.213 178.735 176.600 -0.130 0.000 0.985 459 E CA 1.189 57.522 56.400 -0.112 0.000 0.801 459 E CB 0.014 29.669 29.700 -0.075 0.000 0.750 459 E HN 0.426 nan 8.360 nan 0.000 0.452 460 Q N 0.060 119.803 119.800 -0.094 0.000 2.050 460 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 460 Q C 2.073 178.017 176.000 -0.094 0.000 0.980 460 Q CA 1.615 57.368 55.803 -0.083 0.000 0.840 460 Q CB -0.221 28.484 28.738 -0.055 0.000 0.898 460 Q HN 0.340 nan 8.270 nan 0.000 0.424 461 A N 1.173 123.939 122.820 -0.091 0.000 1.877 461 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 461 A C 2.117 179.633 177.584 -0.115 0.000 1.186 461 A CA 1.457 53.441 52.037 -0.088 0.000 0.620 461 A CB -0.562 18.392 19.000 -0.075 0.000 0.822 461 A HN 0.380 nan 8.150 nan 0.000 0.443 462 R N -0.832 119.582 120.500 -0.144 0.000 2.091 462 R HA -0.133 4.206 4.340 -0.001 0.000 0.238 462 R C 2.466 178.612 176.300 -0.257 0.000 1.136 462 R CA 1.783 57.772 56.100 -0.184 0.000 0.959 462 R CB -0.284 29.895 30.300 -0.202 0.000 0.856 462 R HN 0.491 nan 8.270 nan 0.000 0.437 463 R N 0.141 120.457 120.500 -0.307 0.000 2.090 463 R HA -0.063 4.277 4.340 -0.001 0.000 0.228 463 R C 2.125 178.347 176.300 -0.130 0.000 1.110 463 R CA 0.936 56.781 56.100 -0.427 0.000 0.973 463 R CB 0.055 30.125 30.300 -0.384 0.000 0.869 463 R HN 0.197 nan 8.270 nan 0.000 0.440 464 E N 0.738 120.897 120.200 -0.068 0.000 2.107 464 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 464 E C 1.963 178.587 176.600 0.038 0.000 0.982 464 E CA 0.711 57.118 56.400 0.012 0.000 0.809 464 E CB -0.227 29.471 29.700 -0.003 0.000 0.756 464 E HN 0.150 nan 8.360 nan 0.000 0.459 465 L N 1.373 122.586 121.223 -0.016 0.000 2.046 465 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 465 L C 2.170 179.077 176.870 0.062 0.000 1.077 465 L CA 1.619 56.466 54.840 0.013 0.000 0.747 465 L CB -0.610 41.421 42.059 -0.046 0.000 0.896 465 L HN -0.093 nan 8.230 nan 0.000 0.432 466 S N -0.486 115.215 115.700 0.002 0.000 2.368 466 S HA -0.175 4.295 4.470 -0.001 0.000 0.225 466 S C 1.841 176.573 174.600 0.220 0.000 1.030 466 S CA 1.477 59.709 58.200 0.052 0.000 0.999 466 S CB -0.581 62.543 63.200 -0.127 0.000 0.844 466 S HN 0.457 nan 8.310 nan 0.000 0.459 467 L N 0.768 122.165 121.223 0.290 0.000 2.042 467 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 467 L C 1.880 178.850 176.870 0.167 0.000 1.076 467 L CA 1.669 56.675 54.840 0.277 0.000 0.749 467 L CB -0.633 41.561 42.059 0.224 0.000 0.893 467 L HN 0.296 nan 8.230 nan 0.000 0.432 468 F N -0.292 119.628 119.950 -0.050 0.000 2.451 468 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 468 F C 2.213 177.929 175.800 -0.140 0.000 1.101 468 F CA 0.838 58.696 58.000 -0.237 0.000 1.436 468 F CB -0.247 38.649 39.000 -0.173 0.000 1.074 468 F HN 0.244 nan 8.300 nan 0.000 0.553 469 Q N -0.279 119.481 119.800 -0.066 0.000 2.437 469 Q HA -0.171 4.169 4.340 -0.001 0.000 0.210 469 Q C 0.583 176.525 176.000 -0.096 0.000 0.972 469 Q CA 0.587 56.333 55.803 -0.094 0.000 0.903 469 Q CB -1.400 27.352 28.738 0.024 0.000 0.967 469 Q HN 0.528 nan 8.270 nan 0.000 0.486 470 H N 1.942 120.905 119.070 -0.179 0.000 3.073 470 H HA -0.117 4.438 4.556 -0.001 0.000 0.340 470 H C 1.321 176.512 175.328 -0.227 0.000 1.054 470 H CA 0.768 56.717 56.048 -0.165 0.000 1.372 470 H CB 0.550 30.232 29.762 -0.133 0.000 1.314 470 H HN 0.242 nan 8.280 nan 0.000 0.603 471 H N 2.079 120.713 119.070 -0.727 0.000 2.562 471 H HA -0.005 4.550 4.556 -0.001 0.000 0.272 471 H C -0.344 174.566 175.328 -0.697 0.000 1.019 471 H CA 0.739 56.344 56.048 -0.738 0.000 1.160 471 H CB 0.263 29.583 29.762 -0.736 0.000 1.334 471 H HN 0.630 nan 8.280 nan 0.000 0.611 472 D N 0.348 120.054 120.400 -1.157 0.000 2.503 472 D HA 0.123 4.763 4.640 -0.001 0.000 0.218 472 D C 1.596 177.876 176.300 -0.033 0.000 1.183 472 D CA 0.303 54.166 54.000 -0.228 0.000 0.827 472 D CB 0.849 41.775 40.800 0.211 0.000 1.034 472 D HN 0.522 nan 8.370 nan 0.000 0.510 473 G N 1.354 109.910 108.800 -0.406 0.000 2.618 473 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.222 473 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.222 473 G C 1.362 175.637 174.900 -1.041 0.000 1.520 473 G CA -0.191 44.380 45.100 -0.881 0.000 0.930 473 G HN 0.194 nan 8.290 nan 0.000 0.547 474 I N 1.979 121.672 120.570 -1.461 0.000 2.423 474 I HA -0.174 3.995 4.170 -0.001 0.000 0.254 474 I C 2.919 178.947 176.117 -0.147 0.000 1.151 474 I CA 2.045 62.822 61.300 -0.871 0.000 1.421 474 I CB -0.057 37.612 38.000 -0.551 0.000 1.079 474 I HN 0.377 nan 8.210 nan 0.000 0.431 475 T N -1.552 112.965 114.554 -0.062 0.000 3.007 475 T HA -0.006 4.344 4.350 -0.001 0.000 0.270 475 T C 1.552 176.405 174.700 0.254 0.000 1.107 475 T CA 0.659 62.923 62.100 0.273 0.000 1.118 475 T CB -0.636 68.415 68.868 0.305 0.000 0.889 475 T HN 0.635 nan 8.240 nan 0.000 0.506 476 G N 1.493 110.392 108.800 0.165 0.000 2.221 476 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.265 476 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.265 476 G C 0.544 175.515 174.900 0.118 0.000 1.041 476 G CA 0.667 45.882 45.100 0.192 0.000 0.807 476 G HN 1.144 nan 8.290 nan 0.000 0.502 477 T N -3.460 111.158 114.554 0.107 0.000 3.174 477 T HA 0.726 5.076 4.350 -0.001 0.000 0.269 477 T C 0.922 175.811 174.700 0.315 0.000 1.017 477 T CA 1.019 63.114 62.100 -0.008 0.000 0.899 477 T CB 0.966 69.655 68.868 -0.299 0.000 1.077 477 T HN 1.561 nan 8.240 nan 0.000 0.552 478 A N 1.388 124.411 122.820 0.339 0.000 2.269 478 A HA 0.645 4.964 4.320 -0.001 0.000 0.319 478 A C 0.288 177.968 177.584 0.160 0.000 1.110 478 A CA -0.904 51.365 52.037 0.386 0.000 0.847 478 A CB 0.751 20.015 19.000 0.441 0.000 1.161 478 A HN 0.387 nan 8.150 nan 0.000 0.497 479 K N 0.027 120.448 120.400 0.035 0.000 2.336 479 K HA 0.080 4.400 4.320 -0.001 0.000 0.262 479 K C 1.121 177.732 176.600 0.017 0.000 0.992 479 K CA 0.424 56.714 56.287 0.006 0.000 0.927 479 K CB 0.298 32.798 32.500 0.000 0.000 0.956 479 K HN 0.756 nan 8.250 nan 0.000 0.495 480 T N 1.462 116.053 114.554 0.062 0.000 2.653 480 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 480 T C 1.658 176.390 174.700 0.053 0.000 1.035 480 T CA 1.891 64.029 62.100 0.065 0.000 1.154 480 T CB -0.406 68.507 68.868 0.075 0.000 0.862 480 T HN 0.680 nan 8.240 nan 0.000 0.441 481 H N 0.514 119.572 119.070 -0.020 0.000 2.524 481 H HA 0.111 4.666 4.556 -0.001 0.000 0.282 481 H C 1.986 177.281 175.328 -0.055 0.000 1.016 481 H CA 0.801 56.830 56.048 -0.031 0.000 1.270 481 H CB -0.748 28.992 29.762 -0.038 0.000 1.394 481 H HN 0.284 nan 8.280 nan 0.000 0.568 482 V N 1.045 120.605 119.914 -0.591 0.000 2.407 482 V HA -0.158 3.961 4.120 -0.001 0.000 0.245 482 V C 3.019 178.913 176.094 -0.333 0.000 1.041 482 V CA 1.043 63.021 62.300 -0.536 0.000 1.040 482 V CB -0.467 31.101 31.823 -0.425 0.000 0.671 482 V HN 0.226 nan 8.190 nan 0.000 0.455 483 V N 0.199 120.058 119.914 -0.091 0.000 2.324 483 V HA -0.265 3.854 4.120 -0.001 0.000 0.250 483 V C 2.486 178.556 176.094 -0.041 0.000 1.060 483 V CA 2.120 64.428 62.300 0.012 0.000 1.042 483 V CB -0.587 31.208 31.823 -0.047 0.000 0.650 483 V HN 0.418 nan 8.190 nan 0.000 0.450 484 V N 0.356 120.252 119.914 -0.031 0.000 2.332 484 V HA -0.325 3.794 4.120 -0.001 0.000 0.248 484 V C 2.318 178.420 176.094 0.014 0.000 1.055 484 V CA 2.500 64.812 62.300 0.020 0.000 1.038 484 V CB -0.737 31.108 31.823 0.037 0.000 0.651 484 V HN 0.648 nan 8.190 nan 0.000 0.450 485 D N -1.077 119.284 120.400 -0.064 0.000 2.097 485 D HA -0.202 4.438 4.640 -0.001 0.000 0.195 485 D C 2.002 178.309 176.300 0.012 0.000 0.989 485 D CA 1.512 55.473 54.000 -0.066 0.000 0.827 485 D CB -0.184 40.511 40.800 -0.175 0.000 0.966 485 D HN 0.496 nan 8.370 nan 0.000 0.456 486 Y N 0.970 121.305 120.300 0.058 0.000 2.224 486 Y HA -0.044 4.505 4.550 -0.001 0.000 0.289 486 Y C 2.438 178.314 175.900 -0.040 0.000 1.146 486 Y CA 1.196 59.334 58.100 0.064 0.000 1.182 486 Y CB -0.695 37.882 38.460 0.194 0.000 0.983 486 Y HN 0.150 nan 8.280 nan 0.000 0.524 487 E N 0.100 120.398 120.200 0.164 0.000 2.051 487 E HA -0.249 4.101 4.350 -0.001 0.000 0.192 487 E C 2.009 178.681 176.600 0.119 0.000 0.991 487 E CA 1.419 57.929 56.400 0.183 0.000 0.799 487 E CB -0.031 29.855 29.700 0.311 0.000 0.748 487 E HN 0.571 nan 8.360 nan 0.000 0.449 488 Q N -0.014 119.843 119.800 0.096 0.000 2.096 488 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 488 Q C 2.345 178.375 176.000 0.050 0.000 0.982 488 Q CA 1.390 57.233 55.803 0.067 0.000 0.850 488 Q CB -0.156 28.613 28.738 0.053 0.000 0.901 488 Q HN 0.201 nan 8.270 nan 0.000 0.422 489 R N 0.217 120.752 120.500 0.058 0.000 2.083 489 R HA -0.082 4.257 4.340 -0.001 0.000 0.237 489 R C 2.312 178.618 176.300 0.011 0.000 1.137 489 R CA 1.554 57.681 56.100 0.045 0.000 0.951 489 R CB -0.202 30.150 30.300 0.087 0.000 0.851 489 R HN 0.298 nan 8.270 nan 0.000 0.434 490 M N -0.032 119.561 119.600 -0.013 0.000 2.229 490 M HA -0.183 4.297 4.480 -0.001 0.000 0.264 490 M C 2.342 178.603 176.300 -0.065 0.000 1.063 490 M CA 1.421 56.670 55.300 -0.084 0.000 1.114 490 M CB -0.155 32.327 32.600 -0.197 0.000 1.387 490 M HN 0.068 nan 8.290 nan 0.000 0.420 491 Q N 0.938 120.737 119.800 -0.003 0.000 2.050 491 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 491 Q C 1.771 177.771 176.000 0.001 0.000 0.980 491 Q CA 1.614 57.429 55.803 0.020 0.000 0.840 491 Q CB -0.051 28.725 28.738 0.064 0.000 0.898 491 Q HN 0.311 nan 8.270 nan 0.000 0.424 492 E N 0.051 120.252 120.200 0.003 0.000 2.118 492 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 492 E C 1.851 178.440 176.600 -0.019 0.000 0.992 492 E CA 1.247 57.645 56.400 -0.003 0.000 0.804 492 E CB -0.551 29.149 29.700 0.001 0.000 0.741 492 E HN 0.489 nan 8.360 nan 0.000 0.458 493 A N 1.052 123.850 122.820 -0.036 0.000 1.902 493 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 493 A C 2.413 179.965 177.584 -0.053 0.000 1.181 493 A CA 1.080 53.085 52.037 -0.052 0.000 0.623 493 A CB -0.699 18.257 19.000 -0.073 0.000 0.818 493 A HN 0.192 nan 8.150 nan 0.000 0.443 494 L N -0.615 120.558 121.223 -0.083 0.000 2.046 494 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 494 L C 2.598 179.479 176.870 0.018 0.000 1.077 494 L CA 1.750 56.530 54.840 -0.099 0.000 0.747 494 L CB -0.407 41.532 42.059 -0.201 0.000 0.896 494 L HN 0.364 nan 8.230 nan 0.000 0.432 495 K N -0.112 120.294 120.400 0.010 0.000 2.097 495 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 495 K C 2.238 178.853 176.600 0.025 0.000 1.049 495 K CA 1.277 57.581 56.287 0.028 0.000 0.933 495 K CB -0.265 32.244 32.500 0.014 0.000 0.717 495 K HN 0.288 nan 8.250 nan 0.000 0.442 496 A N 1.351 124.174 122.820 0.005 0.000 1.883 496 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 496 A C 2.487 180.070 177.584 -0.001 0.000 1.186 496 A CA 1.623 53.654 52.037 -0.010 0.000 0.624 496 A CB -1.074 17.907 19.000 -0.031 0.000 0.822 496 A HN 0.410 nan 8.150 nan 0.000 0.444 497 C N -1.026 118.289 119.300 0.026 0.000 2.413 497 C HA -0.142 4.318 4.460 -0.001 0.000 0.276 497 C C 2.888 177.927 174.990 0.081 0.000 1.236 497 C CA 1.311 60.362 59.018 0.055 0.000 1.735 497 C CB -1.339 26.486 27.740 0.141 0.000 2.031 497 C HN 0.797 nan 8.230 nan 0.000 0.474 498 Q N 0.230 120.108 119.800 0.130 0.000 2.061 498 Q HA -0.287 4.052 4.340 -0.001 0.000 0.204 498 Q C 2.170 178.237 176.000 0.111 0.000 0.984 498 Q CA 2.140 58.021 55.803 0.130 0.000 0.846 498 Q CB -0.289 28.529 28.738 0.134 0.000 0.902 498 Q HN 0.595 nan 8.270 nan 0.000 0.421 499 M N -0.098 119.541 119.600 0.065 0.000 2.080 499 M HA -0.148 4.332 4.480 -0.001 0.000 0.260 499 M C 1.859 178.178 176.300 0.032 0.000 1.068 499 M CA 1.626 56.957 55.300 0.050 0.000 1.109 499 M CB -0.501 32.109 32.600 0.016 0.000 1.342 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.198 120.092 119.914 -0.033 0.000 2.358 500 V HA -0.298 3.822 4.120 -0.001 0.000 0.246 500 V C 2.437 178.492 176.094 -0.065 0.000 1.047 500 V CA 2.173 64.395 62.300 -0.129 0.000 1.035 500 V CB -0.715 31.005 31.823 -0.173 0.000 0.658 500 V HN 0.565 nan 8.190 nan 0.000 0.452 501 M N 0.286 119.902 119.600 0.027 0.000 2.080 501 M HA -0.280 4.199 4.480 -0.001 0.000 0.260 501 M C 2.397 178.755 176.300 0.095 0.000 1.068 501 M CA 2.533 57.889 55.300 0.094 0.000 1.109 501 M CB -0.483 32.259 32.600 0.236 0.000 1.342 501 M HN 0.553 nan 8.290 nan 0.000 0.405 502 Q N -0.264 119.674 119.800 0.229 0.000 2.123 502 Q HA -0.121 4.219 4.340 -0.001 0.000 0.199 502 Q C 1.821 178.000 176.000 0.298 0.000 0.966 502 Q CA 1.109 57.068 55.803 0.261 0.000 0.845 502 Q CB -0.638 28.361 28.738 0.436 0.000 0.907 502 Q HN 0.417 nan 8.270 nan 0.000 0.439 503 Q N 0.693 120.664 119.800 0.284 0.000 2.096 503 Q HA -0.094 4.245 4.340 -0.001 0.000 0.204 503 Q C 2.299 178.551 176.000 0.421 0.000 0.982 503 Q CA 1.791 57.838 55.803 0.407 0.000 0.850 503 Q CB -0.278 28.616 28.738 0.260 0.000 0.901 503 Q HN 0.513 nan 8.270 nan 0.000 0.422 504 S N 0.459 116.293 115.700 0.223 0.000 2.368 504 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 504 S C 2.247 176.879 174.600 0.053 0.000 1.030 504 S CA 1.094 59.466 58.200 0.286 0.000 0.999 504 S CB -0.267 63.034 63.200 0.167 0.000 0.844 504 S HN 0.134 nan 8.310 nan 0.000 0.459 505 V N 0.861 120.672 119.914 -0.172 0.000 2.287 505 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 505 V C 2.018 178.073 176.094 -0.065 0.000 1.053 505 V CA 1.955 64.023 62.300 -0.387 0.000 1.027 505 V CB -0.801 30.364 31.823 -1.098 0.000 0.646 505 V HN 0.543 nan 8.190 nan 0.000 0.447 506 Y N 1.202 121.536 120.300 0.058 0.000 2.165 506 Y HA -0.259 4.290 4.550 -0.001 0.000 0.286 506 Y C 2.750 178.711 175.900 0.101 0.000 1.155 506 Y CA 2.237 60.468 58.100 0.219 0.000 1.164 506 Y CB -0.349 38.177 38.460 0.110 0.000 0.978 506 Y HN 0.089 nan 8.280 nan 0.000 0.513 507 R N -0.171 120.223 120.500 -0.177 0.000 2.075 507 R HA -0.106 4.233 4.340 -0.001 0.000 0.232 507 R C 2.166 178.144 176.300 -0.536 0.000 1.126 507 R CA 1.623 57.260 56.100 -0.773 0.000 0.963 507 R CB -0.382 29.495 30.300 -0.706 0.000 0.858 507 R HN 0.446 nan 8.270 nan 0.000 0.435 508 L N 0.202 121.256 121.223 -0.282 0.000 2.291 508 L HA -0.061 4.279 4.340 -0.001 0.000 0.214 508 L C 1.390 178.141 176.870 -0.199 0.000 1.120 508 L CA 0.775 55.419 54.840 -0.326 0.000 0.799 508 L CB 0.137 41.826 42.059 -0.615 0.000 0.925 508 L HN 0.237 nan 8.230 nan 0.000 0.446 509 L N -1.356 119.846 121.223 -0.034 0.000 3.122 509 L HA 0.222 4.562 4.340 -0.001 0.000 0.274 509 L C -0.194 176.756 176.870 0.133 0.000 1.222 509 L CA -0.105 54.807 54.840 0.119 0.000 1.028 509 L CB 0.629 42.911 42.059 0.372 0.000 1.386 509 L HN -0.018 nan 8.230 nan 0.000 0.578 510 T N 0.212 114.761 114.554 -0.008 0.000 2.829 510 T HA 0.179 4.528 4.350 -0.001 0.000 0.280 510 T C -0.098 174.533 174.700 -0.115 0.000 0.999 510 T CA -0.538 61.541 62.100 -0.035 0.000 0.983 510 T CB 2.306 71.116 68.868 -0.097 0.000 0.968 510 T HN 0.015 nan 8.240 nan 0.000 0.446 511 K N 4.032 124.378 120.400 -0.090 0.000 2.473 511 K HA -0.024 4.295 4.320 -0.001 0.000 0.277 511 K C -1.669 174.902 176.600 -0.049 0.000 1.052 511 K CA -1.054 55.190 56.287 -0.073 0.000 1.114 511 K CB 0.451 32.915 32.500 -0.061 0.000 0.869 511 K HN 0.183 nan 8.250 nan 0.000 0.481 512 P HA -0.189 nan 4.420 nan 0.000 0.216 512 P C 0.823 178.136 177.300 0.022 0.000 1.150 512 P CA 1.391 64.466 63.100 -0.041 0.000 0.837 512 P CB 0.119 31.786 31.700 -0.055 0.000 0.786 513 S N -2.196 113.507 115.700 0.005 0.000 2.603 513 S HA 0.039 4.508 4.470 -0.001 0.000 0.229 513 S C 1.673 176.285 174.600 0.019 0.000 0.972 513 S CA 0.529 58.736 58.200 0.012 0.000 0.935 513 S CB -1.142 62.057 63.200 -0.001 0.000 0.769 513 S HN 0.104 nan 8.310 nan 0.000 0.536 514 I N -0.832 119.758 120.570 0.033 0.000 3.616 514 I HA 0.223 4.392 4.170 -0.001 0.000 0.296 514 I C 0.507 176.669 176.117 0.075 0.000 1.226 514 I CA -0.413 60.913 61.300 0.043 0.000 1.394 514 I CB 0.045 38.067 38.000 0.036 0.000 1.171 514 I HN 0.263 nan 8.210 nan 0.000 0.442 515 Y N 2.554 122.803 120.300 -0.085 0.000 2.802 515 Y HA -0.028 4.521 4.550 -0.001 0.000 0.333 515 Y C 0.429 176.296 175.900 -0.055 0.000 1.244 515 Y CA 0.004 58.012 58.100 -0.153 0.000 1.558 515 Y CB 0.439 38.748 38.460 -0.251 0.000 1.233 515 Y HN -0.134 nan 8.280 nan 0.000 0.547 516 S N 8.714 124.186 115.700 -0.380 0.000 2.204 516 S HA 0.348 4.817 4.470 -0.001 0.000 0.147 516 S C -2.861 171.539 174.600 -0.333 0.000 1.711 516 S CA -1.174 56.831 58.200 -0.325 0.000 1.274 516 S CB -0.119 63.022 63.200 -0.099 0.000 1.257 516 S HN 0.646 nan 8.310 nan 0.000 0.404 517 P HA 0.319 nan 4.420 nan 0.000 0.280 517 P C -1.101 175.943 177.300 -0.426 0.000 1.244 517 P CA -0.210 62.653 63.100 -0.395 0.000 0.784 517 P CB 0.846 32.238 31.700 -0.512 0.000 0.913 518 D N 2.528 122.880 120.400 -0.080 0.000 2.373 518 D HA 0.128 4.767 4.640 -0.001 0.000 0.227 518 D C 0.298 176.632 176.300 0.057 0.000 1.091 518 D CA -0.643 53.286 54.000 -0.119 0.000 0.840 518 D CB 0.257 41.021 40.800 -0.060 0.000 1.060 518 D HN 0.063 nan 8.370 nan 0.000 0.502 519 F N 1.666 121.739 119.950 0.205 0.000 2.641 519 F HA -0.058 4.468 4.527 -0.001 0.000 0.298 519 F C 2.438 178.321 175.800 0.138 0.000 1.146 519 F CA 0.496 58.616 58.000 0.201 0.000 1.464 519 F CB -0.437 38.660 39.000 0.162 0.000 1.101 519 F HN 0.370 nan 8.300 nan 0.000 0.585 520 S N -1.745 114.105 115.700 0.250 0.000 2.524 520 S HA 0.100 4.569 4.470 -0.001 0.000 0.215 520 S C 0.402 175.055 174.600 0.089 0.000 0.986 520 S CA -0.387 57.902 58.200 0.148 0.000 0.911 520 S CB -0.626 62.639 63.200 0.109 0.000 0.805 520 S HN 0.084 nan 8.310 nan 0.000 0.501 521 F N 2.829 122.724 119.950 -0.091 0.000 2.375 521 F HA 0.594 5.120 4.527 -0.001 0.000 0.333 521 F C 0.063 175.644 175.800 -0.364 0.000 1.104 521 F CA -0.668 57.144 58.000 -0.314 0.000 1.149 521 F CB 1.520 40.173 39.000 -0.578 0.000 1.190 521 F HN -0.052 nan 8.300 nan 0.000 0.533 522 S N 5.583 120.473 115.700 -1.350 0.000 2.466 522 S HA 0.175 4.645 4.470 -0.001 0.000 0.313 522 S C 0.340 174.280 174.600 -1.100 0.000 1.078 522 S CA -0.367 57.308 58.200 -0.876 0.000 1.115 522 S CB -0.179 62.666 63.200 -0.591 0.000 1.006 522 S HN 0.643 nan 8.310 nan 0.000 0.487 523 Y N 1.712 121.738 120.300 -0.456 0.000 2.314 523 Y HA 0.133 4.683 4.550 -0.001 0.000 0.293 523 Y C 0.358 175.681 175.900 -0.963 0.000 1.129 523 Y CA 0.803 58.513 58.100 -0.651 0.000 1.201 523 Y CB 0.090 38.238 38.460 -0.519 0.000 0.999 523 Y HN 0.493 nan 8.280 nan 0.000 0.541 524 F N -1.357 118.535 119.950 -0.097 0.000 2.588 524 F HA 0.443 4.969 4.527 -0.001 0.000 0.310 524 F C -0.048 175.773 175.800 0.036 0.000 1.082 524 F CA -1.598 56.411 58.000 0.015 0.000 0.929 524 F CB 1.514 40.669 39.000 0.257 0.000 1.254 524 F HN -0.401 nan 8.300 nan 0.000 0.455 525 T N 0.254 114.950 114.554 0.237 0.000 2.859 525 T HA 0.718 5.067 4.350 -0.001 0.000 0.281 525 T C -0.505 174.296 174.700 0.167 0.000 1.005 525 T CA -0.816 61.376 62.100 0.152 0.000 1.025 525 T CB 1.167 70.069 68.868 0.058 0.000 0.977 525 T HN 0.496 nan 8.240 nan 0.000 0.458 526 L N 2.025 123.275 121.223 0.045 0.000 2.426 526 L HA 0.412 4.752 4.340 -0.001 0.000 0.271 526 L C 0.191 177.046 176.870 -0.024 0.000 1.169 526 L CA -0.290 54.475 54.840 -0.125 0.000 0.836 526 L CB 0.627 42.582 42.059 -0.173 0.000 1.112 526 L HN 0.810 nan 8.230 nan 0.000 0.465 527 D N 1.524 121.893 120.400 -0.052 0.000 2.492 527 D HA 0.208 4.848 4.640 -0.001 0.000 0.248 527 D C -1.274 174.960 176.300 -0.111 0.000 1.101 527 D CA -0.409 53.563 54.000 -0.046 0.000 0.840 527 D CB 1.166 41.975 40.800 0.016 0.000 1.209 527 D HN 0.294 nan 8.370 nan 0.000 0.524 528 D N 2.510 122.868 120.400 -0.069 0.000 2.481 528 D HA 0.180 4.819 4.640 -0.001 0.000 0.246 528 D C 0.144 176.397 176.300 -0.078 0.000 1.109 528 D CA -0.450 53.532 54.000 -0.030 0.000 0.845 528 D CB 1.871 42.757 40.800 0.143 0.000 1.160 528 D HN 0.277 nan 8.370 nan 0.000 0.534 529 S N 2.699 118.328 115.700 -0.119 0.000 2.481 529 S HA -0.006 4.463 4.470 -0.001 0.000 0.231 529 S C 1.371 175.938 174.600 -0.055 0.000 0.996 529 S CA 0.646 58.773 58.200 -0.121 0.000 0.942 529 S CB 0.354 63.477 63.200 -0.127 0.000 0.768 529 S HN 0.501 nan 8.310 nan 0.000 0.520 530 R N -0.691 119.808 120.500 -0.002 0.000 2.535 530 R HA 0.223 4.562 4.340 -0.001 0.000 0.323 530 R C -0.687 175.689 176.300 0.128 0.000 0.979 530 R CA -0.115 56.005 56.100 0.034 0.000 1.120 530 R CB 0.762 31.078 30.300 0.028 0.000 1.306 530 R HN 0.342 nan 8.270 nan 0.000 0.540 531 W N 1.383 122.631 121.300 -0.085 0.000 3.211 531 W HA 0.294 4.954 4.660 -0.001 0.000 0.335 531 W C -2.874 173.591 176.519 -0.089 0.000 1.113 531 W CA -1.977 55.301 57.345 -0.111 0.000 1.235 531 W CB 1.842 31.216 29.460 -0.143 0.000 1.365 531 W HN -0.183 nan 8.180 nan 0.000 0.476 532 P HA 0.092 nan 4.420 nan 0.000 0.230 532 P C 0.369 177.316 177.300 -0.588 0.000 1.158 532 P CA 1.591 63.868 63.100 -1.371 0.000 0.769 532 P CB 0.243 31.349 31.700 -0.990 0.000 0.807 533 G N -0.863 107.758 108.800 -0.299 0.000 2.712 533 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.686 533 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.686 533 G C -0.362 174.472 174.900 -0.110 0.000 1.181 533 G CA -0.567 44.445 45.100 -0.147 0.000 0.762 533 G HN 0.085 nan 8.290 nan 0.000 0.641 534 S N 0.428 116.106 115.700 -0.038 0.000 2.525 534 S HA 0.513 4.983 4.470 -0.001 0.000 0.285 534 S C 1.799 176.403 174.600 0.006 0.000 1.283 534 S CA 2.031 60.241 58.200 0.017 0.000 1.072 534 S CB 0.136 63.392 63.200 0.093 0.000 0.867 534 S HN 2.652 nan 8.310 nan 0.000 0.492 535 G N 2.880 111.682 108.800 0.004 0.000 2.195 535 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.246 535 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.246 535 G C 0.589 175.465 174.900 -0.040 0.000 0.984 535 G CA 0.272 45.371 45.100 -0.002 0.000 0.633 535 G HN 0.839 nan 8.290 nan 0.000 0.525 536 V N -0.440 119.425 119.914 -0.081 0.000 3.085 536 V HA 0.458 4.577 4.120 -0.001 0.000 0.245 536 V C 0.756 176.773 176.094 -0.128 0.000 1.114 536 V CA 1.695 63.924 62.300 -0.118 0.000 1.108 536 V CB 0.974 32.688 31.823 -0.180 0.000 0.798 536 V HN 0.460 nan 8.190 nan 0.000 0.471 537 E N 0.045 120.171 120.200 -0.122 0.000 2.397 537 E HA 0.106 4.456 4.350 -0.001 0.000 0.293 537 E C -1.454 175.106 176.600 -0.066 0.000 0.930 537 E CA -0.338 55.999 56.400 -0.104 0.000 0.793 537 E CB 1.402 31.011 29.700 -0.151 0.000 1.259 537 E HN 0.110 nan 8.360 nan 0.000 0.406 538 D N 2.897 123.280 120.400 -0.027 0.000 2.885 538 D HA -0.006 4.634 4.640 -0.001 0.000 0.234 538 D C 0.676 176.970 176.300 -0.010 0.000 1.129 538 D CA 0.373 54.376 54.000 0.005 0.000 0.991 538 D CB 0.046 40.864 40.800 0.029 0.000 1.137 538 D HN 0.340 nan 8.370 nan 0.000 0.459 539 S N 0.966 116.638 115.700 -0.046 0.000 2.535 539 S HA 0.107 4.577 4.470 -0.001 0.000 0.214 539 S C 0.879 175.445 174.600 -0.056 0.000 0.980 539 S CA -0.414 57.755 58.200 -0.050 0.000 0.907 539 S CB 0.303 63.460 63.200 -0.073 0.000 0.790 539 S HN 0.205 nan 8.310 nan 0.000 0.510 540 R N 2.904 123.351 120.500 -0.089 0.000 2.347 540 R HA 0.238 4.577 4.340 -0.001 0.000 0.304 540 R C 0.283 176.545 176.300 -0.063 0.000 1.072 540 R CA 0.207 56.208 56.100 -0.165 0.000 0.980 540 R CB 0.847 30.864 30.300 -0.472 0.000 0.986 540 R HN 0.481 nan 8.270 nan 0.000 0.448 541 T N 0.268 114.808 114.554 -0.023 0.000 2.907 541 T HA 0.133 4.482 4.350 -0.001 0.000 0.298 541 T C 0.283 175.054 174.700 0.119 0.000 1.017 541 T CA -0.470 61.661 62.100 0.052 0.000 1.118 541 T CB 1.259 70.158 68.868 0.053 0.000 0.948 541 T HN 0.342 nan 8.240 nan 0.000 0.531 542 T N 4.492 119.143 114.554 0.162 0.000 2.799 542 T HA 0.409 4.758 4.350 -0.001 0.000 0.286 542 T C 0.430 175.236 174.700 0.176 0.000 0.973 542 T CA -0.498 61.735 62.100 0.222 0.000 1.035 542 T CB 0.253 69.229 68.868 0.179 0.000 0.932 542 T HN 0.600 nan 8.240 nan 0.000 0.469 543 I N 4.085 124.779 120.570 0.207 0.000 2.436 543 I HA 0.190 4.360 4.170 -0.001 0.000 0.289 543 I C 0.201 176.405 176.117 0.145 0.000 1.083 543 I CA 0.033 61.434 61.300 0.167 0.000 1.372 543 I CB 0.285 38.387 38.000 0.169 0.000 1.408 543 I HN 0.446 nan 8.210 nan 0.000 0.516 544 I N 8.121 128.762 120.570 0.117 0.000 2.297 544 I HA 0.317 4.486 4.170 -0.001 0.000 0.291 544 I C -0.223 175.956 176.117 0.102 0.000 1.033 544 I CA -0.219 61.142 61.300 0.102 0.000 1.253 544 I CB 0.528 38.576 38.000 0.080 0.000 1.396 544 I HN 0.387 nan 8.210 nan 0.000 0.476 545 L N 5.849 127.136 121.223 0.107 0.000 2.333 545 L HA 0.942 5.281 4.340 -0.001 0.000 0.269 545 L C 0.125 177.053 176.870 0.096 0.000 1.010 545 L CA -0.662 54.241 54.840 0.105 0.000 0.818 545 L CB 2.196 44.324 42.059 0.115 0.000 1.306 545 L HN 0.675 nan 8.230 nan 0.000 0.430 546 G N -0.008 108.844 108.800 0.088 0.000 2.596 546 G HA2 0.124 4.084 3.960 -0.001 0.000 0.296 546 G HA3 0.124 4.084 3.960 -0.001 0.000 0.296 546 G C -0.211 174.732 174.900 0.071 0.000 1.513 546 G CA -0.466 44.683 45.100 0.081 0.000 0.851 546 G HN 0.670 nan 8.290 nan 0.000 0.548 547 E N -0.232 120.008 120.200 0.067 0.000 2.171 547 E HA -0.149 4.201 4.350 -0.001 0.000 0.197 547 E C 0.648 177.277 176.600 0.048 0.000 0.997 547 E CA 1.365 57.798 56.400 0.055 0.000 0.810 547 E CB 0.180 29.909 29.700 0.050 0.000 0.738 547 E HN 0.458 nan 8.360 nan 0.000 0.467 548 D N -0.417 120.011 120.400 0.047 0.000 2.358 548 D HA 0.113 4.753 4.640 -0.001 0.000 0.224 548 D C 1.088 177.413 176.300 0.043 0.000 1.123 548 D CA 0.132 54.156 54.000 0.041 0.000 0.833 548 D CB 0.860 41.681 40.800 0.036 0.000 0.946 548 D HN 0.309 nan 8.370 nan 0.000 0.505 549 I N -0.843 119.757 120.570 0.050 0.000 4.505 549 I HA 0.103 4.273 4.170 -0.001 0.000 0.294 549 I C -1.414 174.739 176.117 0.061 0.000 1.144 549 I CA 0.094 61.425 61.300 0.052 0.000 1.325 549 I CB 1.246 39.277 38.000 0.052 0.000 1.663 549 I HN -0.166 nan 8.210 nan 0.000 0.454 550 L N 1.617 122.882 121.223 0.070 0.000 2.830 550 L HA 0.453 4.793 4.340 -0.001 0.000 0.259 550 L C -2.573 174.350 176.870 0.088 0.000 0.943 550 L CA -0.789 54.100 54.840 0.082 0.000 0.997 550 L CB 1.515 43.630 42.059 0.092 0.000 1.427 550 L HN -0.194 nan 8.230 nan 0.000 0.456 551 P HA 0.088 nan 4.420 nan 0.000 0.222 551 P C -0.391 176.966 177.300 0.095 0.000 1.153 551 P CA 0.944 64.094 63.100 0.084 0.000 0.798 551 P CB 0.310 32.053 31.700 0.072 0.000 0.796 552 S N -2.708 113.060 115.700 0.114 0.000 2.625 552 S HA 0.743 5.212 4.470 -0.001 0.000 0.271 552 S C -1.371 173.336 174.600 0.178 0.000 1.161 552 S CA -0.749 57.528 58.200 0.128 0.000 0.820 552 S CB 2.305 65.576 63.200 0.119 0.000 1.137 552 S HN -0.166 nan 8.310 nan 0.000 0.470 553 K N 0.644 121.159 120.400 0.192 0.000 2.535 553 K HA 0.553 4.872 4.320 -0.001 0.000 0.251 553 K C -2.026 174.756 176.600 0.304 0.000 0.942 553 K CA -0.222 56.222 56.287 0.263 0.000 0.798 553 K CB 0.905 33.514 32.500 0.182 0.000 1.267 553 K HN 0.845 nan 8.250 nan 0.000 0.434 554 H N 0.929 120.144 119.070 0.242 0.000 2.610 554 H HA 0.453 5.009 4.556 -0.001 0.000 0.336 554 H C -0.210 175.349 175.328 0.385 0.000 1.087 554 H CA -0.025 56.213 56.048 0.318 0.000 1.405 554 H CB 0.983 31.012 29.762 0.445 0.000 1.460 554 H HN 0.398 nan 8.280 nan 0.000 0.538 555 V N 1.089 121.256 119.914 0.423 0.000 2.962 555 V HA 0.765 4.884 4.120 -0.001 0.000 0.313 555 V C -0.725 175.698 176.094 0.548 0.000 1.099 555 V CA -0.870 61.676 62.300 0.411 0.000 0.971 555 V CB 2.059 33.875 31.823 -0.012 0.000 1.028 555 V HN 0.458 nan 8.190 nan 0.000 0.430 556 V N 4.008 124.269 119.914 0.578 0.000 2.709 556 V HA 0.637 4.756 4.120 -0.001 0.000 0.308 556 V C -0.437 175.998 176.094 0.568 0.000 1.062 556 V CA -0.397 62.203 62.300 0.500 0.000 0.901 556 V CB 1.904 33.873 31.823 0.243 0.000 1.003 556 V HN 0.949 nan 8.190 nan 0.000 0.425 557 M N 4.048 123.955 119.600 0.510 0.000 2.336 557 M HA 0.481 4.961 4.480 -0.001 0.000 0.342 557 M C -0.504 176.047 176.300 0.418 0.000 1.128 557 M CA -0.204 55.368 55.300 0.452 0.000 1.016 557 M CB 1.168 33.987 32.600 0.365 0.000 1.665 557 M HN 0.750 nan 8.290 nan 0.000 0.445 558 H N 2.043 121.308 119.070 0.325 0.000 2.469 558 H HA 0.473 5.028 4.556 -0.001 0.000 0.342 558 H C -1.338 174.098 175.328 0.181 0.000 1.115 558 H CA -0.605 55.597 56.048 0.256 0.000 1.204 558 H CB 1.175 31.145 29.762 0.347 0.000 1.492 558 H HN 0.655 nan 8.280 nan 0.000 0.499 559 N N 3.107 121.578 118.700 -0.381 0.000 2.564 559 N HA 0.032 4.772 4.740 -0.001 0.000 0.248 559 N C 0.341 175.515 175.510 -0.561 0.000 0.986 559 N CA -0.303 52.528 53.050 -0.365 0.000 0.921 559 N CB 1.579 39.956 38.487 -0.184 0.000 1.136 559 N HN 0.633 nan 8.380 nan 0.000 0.509 560 T N 2.973 117.249 114.554 -0.463 0.000 3.072 560 T HA 0.158 4.508 4.350 -0.001 0.000 0.266 560 T C 0.671 175.337 174.700 -0.058 0.000 1.127 560 T CA 0.448 62.438 62.100 -0.183 0.000 1.107 560 T CB -0.255 68.654 68.868 0.067 0.000 0.910 560 T HN 0.421 nan 8.240 nan 0.000 0.513 561 L N 2.880 124.017 121.223 -0.143 0.000 2.371 561 L HA 0.311 4.651 4.340 -0.001 0.000 0.272 561 L C -1.593 175.147 176.870 -0.218 0.000 1.124 561 L CA -1.892 52.832 54.840 -0.192 0.000 0.816 561 L CB 0.748 42.560 42.059 -0.413 0.000 1.129 561 L HN -0.031 nan 8.230 nan 0.000 0.448 562 P HA 0.048 nan 4.420 nan 0.000 0.243 562 P C -0.928 176.404 177.300 0.053 0.000 1.668 562 P CA 0.322 63.424 63.100 0.002 0.000 0.898 562 P CB -0.336 31.418 31.700 0.091 0.000 1.637 563 H N -3.215 115.871 119.070 0.027 0.000 3.016 563 H HA 0.238 4.794 4.556 -0.001 0.000 0.362 563 H C -0.966 174.379 175.328 0.029 0.000 1.233 563 H CA -1.088 54.991 56.048 0.052 0.000 1.124 563 H CB -0.027 29.799 29.762 0.106 0.000 1.850 563 H HN -0.127 nan 8.280 nan 0.000 0.549 564 W N 1.657 123.053 121.300 0.160 0.000 2.314 564 W HA 0.185 4.844 4.660 -0.001 0.000 0.339 564 W C 0.905 177.519 176.519 0.158 0.000 1.293 564 W CA 0.481 57.886 57.345 0.099 0.000 1.288 564 W CB 0.416 29.911 29.460 0.059 0.000 1.186 564 W HN 0.505 nan 8.180 nan 0.000 0.566 565 R N 2.276 122.971 120.500 0.325 0.000 2.604 565 R HA 0.288 4.628 4.340 -0.001 0.000 0.281 565 R C -1.089 175.340 176.300 0.216 0.000 1.020 565 R CA -0.676 55.570 56.100 0.243 0.000 0.899 565 R CB 1.391 31.756 30.300 0.109 0.000 1.205 565 R HN 0.494 nan 8.270 nan 0.000 0.450 566 E N 2.385 122.691 120.200 0.176 0.000 2.191 566 E HA 0.255 4.605 4.350 -0.001 0.000 0.274 566 E C -1.230 175.416 176.600 0.077 0.000 0.948 566 E CA -0.753 55.727 56.400 0.133 0.000 0.802 566 E CB 2.345 32.116 29.700 0.119 0.000 1.137 566 E HN 0.388 nan 8.360 nan 0.000 0.397 567 Q N 2.983 122.804 119.800 0.035 0.000 2.353 567 Q HA 0.258 4.597 4.340 -0.001 0.000 0.275 567 Q C -1.463 174.494 176.000 -0.071 0.000 1.029 567 Q CA -0.629 55.167 55.803 -0.012 0.000 0.848 567 Q CB 1.445 30.167 28.738 -0.026 0.000 1.390 567 Q HN 0.551 nan 8.270 nan 0.000 0.401 568 L N 3.261 124.438 121.223 -0.077 0.000 2.453 568 L HA 0.287 4.627 4.340 -0.001 0.000 0.272 568 L C 0.197 176.932 176.870 -0.224 0.000 1.182 568 L CA -0.263 54.493 54.840 -0.140 0.000 0.858 568 L CB 0.484 42.500 42.059 -0.072 0.000 1.120 568 L HN 0.462 nan 8.230 nan 0.000 0.474 569 V N -0.363 119.310 119.914 -0.402 0.000 2.769 569 V HA 0.679 4.799 4.120 -0.001 0.000 0.312 569 V C -0.833 174.989 176.094 -0.453 0.000 1.061 569 V CA -0.874 61.146 62.300 -0.467 0.000 0.931 569 V CB 2.100 33.600 31.823 -0.539 0.000 1.010 569 V HN 0.779 nan 8.190 nan 0.000 0.433 570 D N 1.957 122.094 120.400 -0.438 0.000 2.527 570 D HA 0.655 5.295 4.640 -0.001 0.000 0.233 570 D C -1.290 174.727 176.300 -0.472 0.000 1.063 570 D CA -0.469 53.388 54.000 -0.237 0.000 0.880 570 D CB 2.420 43.188 40.800 -0.052 0.000 1.457 570 D HN 0.454 nan 8.370 nan 0.000 0.475 571 F N -0.284 119.760 119.950 0.157 0.000 2.599 571 F HA 0.323 4.850 4.527 -0.001 0.000 0.311 571 F C -0.588 175.421 175.800 0.349 0.000 1.076 571 F CA -1.076 57.036 58.000 0.186 0.000 0.937 571 F CB 1.554 40.684 39.000 0.218 0.000 1.282 571 F HN 0.145 nan 8.300 nan 0.000 0.460 572 Y N 2.108 122.568 120.300 0.267 0.000 2.319 572 Y HA 0.561 5.110 4.550 -0.001 0.000 0.328 572 Y C 0.223 176.248 175.900 0.208 0.000 1.133 572 Y CA -1.419 56.790 58.100 0.182 0.000 1.265 572 Y CB 0.910 39.430 38.460 0.100 0.000 1.218 572 Y HN 0.349 nan 8.280 nan 0.000 0.508 573 V N -0.522 119.586 119.914 0.324 0.000 3.078 573 V HA 0.561 4.680 4.120 -0.001 0.000 0.311 573 V C 0.311 176.538 176.094 0.222 0.000 1.138 573 V CA -0.750 61.705 62.300 0.258 0.000 1.007 573 V CB 1.704 33.678 31.823 0.252 0.000 1.045 573 V HN 0.659 nan 8.190 nan 0.000 0.432 574 S N 0.135 115.949 115.700 0.190 0.000 2.593 574 S HA 0.276 4.745 4.470 -0.001 0.000 0.217 574 S C 0.654 175.399 174.600 0.241 0.000 0.966 574 S CA 0.470 58.772 58.200 0.171 0.000 0.914 574 S CB -0.298 62.974 63.200 0.119 0.000 0.776 574 S HN 1.552 nan 8.310 nan 0.000 0.523 575 S N 1.222 117.070 115.700 0.246 0.000 2.541 575 S HA 0.550 5.019 4.470 -0.001 0.000 0.271 575 S C -2.635 171.885 174.600 -0.134 0.000 1.133 575 S CA -1.300 56.934 58.200 0.058 0.000 0.876 575 S CB 1.946 65.178 63.200 0.052 0.000 1.105 575 S HN 0.003 nan 8.310 nan 0.000 0.470 576 P HA 0.171 nan 4.420 nan 0.000 0.236 576 P C -0.180 177.006 177.300 -0.190 0.000 1.177 576 P CA 0.366 63.103 63.100 -0.605 0.000 0.773 576 P CB -0.162 30.863 31.700 -1.126 0.000 0.878 577 F N 0.855 120.815 119.950 0.017 0.000 2.509 577 F HA 0.276 4.802 4.527 -0.001 0.000 0.344 577 F C 0.455 176.299 175.800 0.074 0.000 1.197 577 F CA -1.240 56.800 58.000 0.066 0.000 1.294 577 F CB 0.014 39.018 39.000 0.006 0.000 1.643 577 F HN -0.331 nan 8.300 nan 0.000 0.596 578 V N 1.118 121.176 119.914 0.240 0.000 2.709 578 V HA 0.673 4.792 4.120 -0.001 0.000 0.308 578 V C -0.331 175.834 176.094 0.119 0.000 1.062 578 V CA -0.813 61.581 62.300 0.158 0.000 0.901 578 V CB 2.311 34.220 31.823 0.143 0.000 1.003 578 V HN 0.505 nan 8.190 nan 0.000 0.425 579 S N 3.140 118.889 115.700 0.082 0.000 2.599 579 S HA 0.887 5.356 4.470 -0.001 0.000 0.294 579 S C -1.015 173.572 174.600 -0.021 0.000 1.094 579 S CA -0.820 57.409 58.200 0.047 0.000 0.931 579 S CB 2.095 65.341 63.200 0.076 0.000 1.093 579 S HN 0.435 nan 8.310 nan 0.000 0.488 580 V N 2.014 121.877 119.914 -0.084 0.000 2.513 580 V HA 0.784 4.903 4.120 -0.001 0.000 0.299 580 V C 0.138 176.142 176.094 -0.150 0.000 1.035 580 V CA -0.419 61.749 62.300 -0.220 0.000 0.889 580 V CB 1.472 32.970 31.823 -0.541 0.000 0.988 580 V HN 1.197 nan 8.190 nan 0.000 0.440 581 T N -0.231 114.252 114.554 -0.118 0.000 2.916 581 T HA 0.678 5.027 4.350 -0.001 0.000 0.292 581 T C -0.761 173.916 174.700 -0.039 0.000 1.055 581 T CA -0.884 61.171 62.100 -0.076 0.000 1.009 581 T CB 2.155 70.973 68.868 -0.083 0.000 1.118 581 T HN 0.707 nan 8.240 nan 0.000 0.497 582 D N 0.399 120.753 120.400 -0.076 0.000 2.511 582 D HA 0.231 4.871 4.640 -0.001 0.000 0.276 582 D C 0.964 177.126 176.300 -0.231 0.000 1.220 582 D CA -1.239 52.611 54.000 -0.250 0.000 1.077 582 D CB 0.378 41.035 40.800 -0.237 0.000 1.126 582 D HN 0.447 nan 8.370 nan 0.000 0.583 583 L N -0.883 120.185 121.223 -0.259 0.000 2.554 583 L HA 0.242 4.581 4.340 -0.001 0.000 0.226 583 L C 1.805 178.596 176.870 -0.131 0.000 1.137 583 L CA 0.618 55.346 54.840 -0.188 0.000 0.863 583 L CB -0.308 41.643 42.059 -0.180 0.000 0.985 583 L HN 0.576 nan 8.230 nan 0.000 0.451 584 A N -0.839 121.910 122.820 -0.117 0.000 2.302 584 A HA 0.031 4.350 4.320 -0.001 0.000 0.219 584 A C 1.054 178.592 177.584 -0.076 0.000 1.243 584 A CA 0.161 52.147 52.037 -0.085 0.000 0.856 584 A CB -0.432 18.525 19.000 -0.073 0.000 0.893 584 A HN 0.591 nan 8.150 nan 0.000 0.491 585 N N -0.073 118.574 118.700 -0.087 0.000 2.782 585 N HA -0.130 4.609 4.740 -0.001 0.000 0.251 585 N C -1.031 174.437 175.510 -0.070 0.000 1.101 585 N CA 0.701 53.707 53.050 -0.073 0.000 0.764 585 N CB -1.302 37.153 38.487 -0.053 0.000 1.122 585 N HN 0.606 nan 8.380 nan 0.000 0.561 586 N N 1.513 120.167 118.700 -0.076 0.000 2.497 586 N HA 0.259 4.998 4.740 -0.001 0.000 0.271 586 N C -2.383 173.063 175.510 -0.107 0.000 1.142 586 N CA -0.721 52.279 53.050 -0.082 0.000 0.965 586 N CB 0.589 39.037 38.487 -0.066 0.000 1.077 586 N HN 0.143 nan 8.380 nan 0.000 0.462 587 P HA 0.072 nan 4.420 nan 0.000 0.269 587 P C -0.464 176.703 177.300 -0.221 0.000 1.209 587 P CA -0.080 62.852 63.100 -0.280 0.000 0.776 587 P CB 0.700 31.971 31.700 -0.714 0.000 0.876 588 V N 2.245 122.072 119.914 -0.145 0.000 2.588 588 V HA 0.229 4.349 4.120 -0.001 0.000 0.304 588 V C 0.388 176.471 176.094 -0.019 0.000 1.042 588 V CA -0.847 61.423 62.300 -0.051 0.000 0.877 588 V CB 1.561 33.376 31.823 -0.013 0.000 0.996 588 V HN 0.533 nan 8.190 nan 0.000 0.425 589 E N 2.547 122.773 120.200 0.043 0.000 2.414 589 E HA 0.469 4.818 4.350 -0.001 0.000 0.263 589 E C -0.251 176.418 176.600 0.114 0.000 1.000 589 E CA 0.104 56.562 56.400 0.095 0.000 0.914 589 E CB 0.960 30.720 29.700 0.100 0.000 0.948 589 E HN 0.889 nan 8.360 nan 0.000 0.444 590 A N 4.220 127.097 122.820 0.095 0.000 2.515 590 A HA 0.414 4.733 4.320 -0.001 0.000 0.296 590 A C -1.309 176.295 177.584 0.033 0.000 1.094 590 A CA -0.695 51.410 52.037 0.113 0.000 0.718 590 A CB 1.976 21.038 19.000 0.104 0.000 1.307 590 A HN 0.646 nan 8.150 nan 0.000 0.408 591 Q N 0.894 120.722 119.800 0.047 0.000 2.356 591 Q HA 0.658 4.997 4.340 -0.001 0.000 0.270 591 Q C -1.991 174.005 176.000 -0.006 0.000 1.058 591 Q CA -0.549 55.239 55.803 -0.026 0.000 0.802 591 Q CB 2.175 30.934 28.738 0.034 0.000 1.303 591 Q HN 0.583 nan 8.270 nan 0.000 0.444 592 V N 2.489 122.332 119.914 -0.119 0.000 2.513 592 V HA 0.606 4.726 4.120 -0.001 0.000 0.299 592 V C -0.517 175.754 176.094 0.295 0.000 1.035 592 V CA -0.314 62.032 62.300 0.076 0.000 0.889 592 V CB 1.904 33.757 31.823 0.049 0.000 0.988 592 V HN 0.856 nan 8.190 nan 0.000 0.440 593 S N 4.614 120.523 115.700 0.348 0.000 2.632 593 S HA 0.692 5.162 4.470 -0.001 0.000 0.289 593 S C -2.790 171.885 174.600 0.125 0.000 1.115 593 S CA -1.113 57.277 58.200 0.316 0.000 0.889 593 S CB 2.504 65.827 63.200 0.206 0.000 1.116 593 S HN 0.543 nan 8.310 nan 0.000 0.486 594 P HA 0.286 nan 4.420 nan 0.000 0.274 594 P C -1.190 175.773 177.300 -0.561 0.000 1.256 594 P CA -0.524 62.198 63.100 -0.630 0.000 0.795 594 P CB 0.386 31.321 31.700 -1.275 0.000 1.038 595 V N 1.399 120.894 119.914 -0.698 0.000 2.333 595 V HA 0.208 4.328 4.120 -0.001 0.000 0.274 595 V C -0.627 175.129 176.094 -0.565 0.000 1.028 595 V CA -0.203 61.757 62.300 -0.568 0.000 0.851 595 V CB -0.310 31.091 31.823 -0.704 0.000 1.000 595 V HN 0.512 nan 8.190 nan 0.000 0.456 596 W N 3.035 124.227 121.300 -0.179 0.000 2.391 596 W HA 0.616 5.276 4.660 -0.001 0.000 0.311 596 W C 0.320 176.741 176.519 -0.162 0.000 1.087 596 W CA -0.343 56.882 57.345 -0.200 0.000 1.209 596 W CB 1.707 31.058 29.460 -0.181 0.000 1.273 596 W HN 0.412 nan 8.180 nan 0.000 0.482 597 S N 1.991 117.692 115.700 0.002 0.000 2.482 597 S HA 0.428 4.898 4.470 -0.001 0.000 0.303 597 S C -1.383 172.967 174.600 -0.417 0.000 1.091 597 S CA -0.776 57.343 58.200 -0.135 0.000 1.057 597 S CB 0.965 64.062 63.200 -0.170 0.000 1.031 597 S HN 0.340 nan 8.310 nan 0.000 0.485 598 W N 1.627 122.695 121.300 -0.387 0.000 2.417 598 W HA 0.507 5.167 4.660 -0.001 0.000 0.317 598 W C 0.287 176.486 176.519 -0.533 0.000 1.121 598 W CA -0.219 56.900 57.345 -0.377 0.000 1.208 598 W CB 0.602 29.945 29.460 -0.194 0.000 1.253 598 W HN 0.671 nan 8.180 nan 0.000 0.533 599 H N 0.464 119.556 119.070 0.037 0.000 2.679 599 H HA 0.271 4.827 4.556 -0.001 0.000 0.360 599 H C -1.043 174.294 175.328 0.014 0.000 1.105 599 H CA -1.082 54.977 56.048 0.017 0.000 1.196 599 H CB 1.367 31.041 29.762 -0.147 0.000 1.636 599 H HN 0.274 nan 8.280 nan 0.000 0.531 600 H N 1.223 120.385 119.070 0.154 0.000 2.820 600 H HA 0.071 4.627 4.556 -0.001 0.000 0.278 600 H C -0.428 174.972 175.328 0.120 0.000 1.142 600 H CA -0.432 55.691 56.048 0.125 0.000 1.346 600 H CB 0.226 30.040 29.762 0.087 0.000 1.438 600 H HN 0.480 nan 8.280 nan 0.000 0.473 601 D N 2.488 123.016 120.400 0.213 0.000 2.365 601 D HA -0.015 4.624 4.640 -0.001 0.000 0.237 601 D C 0.919 177.306 176.300 0.145 0.000 1.190 601 D CA -0.098 54.021 54.000 0.199 0.000 0.867 601 D CB 0.694 41.697 40.800 0.338 0.000 1.050 601 D HN 0.665 nan 8.370 nan 0.000 0.491 602 T N 1.378 115.998 114.554 0.110 0.000 3.035 602 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 602 T C 1.812 176.548 174.700 0.060 0.000 1.109 602 T CA 0.092 62.240 62.100 0.081 0.000 1.119 602 T CB 0.216 69.121 68.868 0.061 0.000 0.900 602 T HN 0.205 nan 8.240 nan 0.000 0.503 603 L N 2.562 123.820 121.223 0.059 0.000 2.022 603 L HA 0.092 4.432 4.340 -0.001 0.000 0.204 603 L C 3.028 179.919 176.870 0.036 0.000 1.076 603 L CA 2.282 57.146 54.840 0.041 0.000 0.749 603 L CB -1.791 40.288 42.059 0.035 0.000 0.903 603 L HN 0.549 nan 8.230 nan 0.000 0.439 604 T N -3.885 110.694 114.554 0.041 0.000 3.088 604 T HA -0.026 4.323 4.350 -0.001 0.000 0.259 604 T C 0.716 175.435 174.700 0.030 0.000 1.122 604 T CA -0.129 61.981 62.100 0.017 0.000 1.095 604 T CB 0.005 68.859 68.868 -0.024 0.000 0.930 604 T HN 0.168 nan 8.240 nan 0.000 0.508 605 K N 2.027 122.462 120.400 0.058 0.000 3.125 605 K HA -0.122 4.197 4.320 -0.001 0.000 0.268 605 K C 0.079 176.719 176.600 0.066 0.000 1.078 605 K CA 1.226 57.552 56.287 0.064 0.000 0.775 605 K CB -2.874 29.653 32.500 0.045 0.000 1.253 605 K HN 0.874 nan 8.250 nan 0.000 0.486 606 T N -2.693 111.918 114.554 0.095 0.000 2.916 606 T HA 0.817 5.166 4.350 -0.001 0.000 0.292 606 T C 0.276 175.077 174.700 0.167 0.000 1.064 606 T CA -1.060 61.103 62.100 0.106 0.000 1.011 606 T CB 2.234 71.141 68.868 0.066 0.000 1.152 606 T HN 0.141 nan 8.240 nan 0.000 0.510 607 I N 2.829 123.470 120.570 0.118 0.000 2.355 607 I HA 0.531 4.701 4.170 -0.001 0.000 0.288 607 I C -0.300 176.008 176.117 0.319 0.000 0.999 607 I CA -0.670 60.665 61.300 0.058 0.000 1.163 607 I CB 0.768 38.647 38.000 -0.202 0.000 1.316 607 I HN 0.946 nan 8.210 nan 0.000 0.454 608 H N 5.672 124.816 119.070 0.122 0.000 3.016 608 H HA 0.665 5.220 4.556 -0.001 0.000 0.362 608 H C -3.177 171.883 175.328 -0.448 0.000 1.233 608 H CA -2.330 53.653 56.048 -0.110 0.000 1.124 608 H CB 2.018 31.740 29.762 -0.067 0.000 1.850 608 H HN 0.155 nan 8.280 nan 0.000 0.549 609 P HA 0.199 nan 4.420 nan 0.000 0.292 609 P C -1.053 176.096 177.300 -0.252 0.000 1.283 609 P CA -0.702 61.781 63.100 -1.027 0.000 0.835 609 P CB 1.863 32.606 31.700 -1.595 0.000 1.017 610 Q N 1.023 120.782 119.800 -0.068 0.000 2.312 610 Q HA 0.573 4.912 4.340 -0.001 0.000 0.263 610 Q C 0.246 176.293 176.000 0.078 0.000 0.995 610 Q CA -0.624 55.248 55.803 0.116 0.000 0.853 610 Q CB 2.714 31.539 28.738 0.145 0.000 1.300 610 Q HN 0.563 nan 8.270 nan 0.000 0.448 611 G N 0.738 109.466 108.800 -0.120 0.000 2.367 611 G HA2 0.312 4.271 3.960 -0.001 0.000 0.314 611 G HA3 0.312 4.271 3.960 -0.001 0.000 0.314 611 G C -0.372 174.266 174.900 -0.437 0.000 1.130 611 G CA -0.339 44.370 45.100 -0.652 0.000 0.864 611 G HN 0.430 nan 8.290 nan 0.000 0.486 612 S N -0.443 114.940 115.700 -0.529 0.000 2.564 612 S HA 0.320 4.790 4.470 -0.001 0.000 0.278 612 S C 1.556 175.892 174.600 -0.441 0.000 1.333 612 S CA 0.225 58.162 58.200 -0.438 0.000 1.048 612 S CB 0.733 63.626 63.200 -0.511 0.000 0.900 612 S HN 0.880 nan 8.310 nan 0.000 0.505 613 T N -0.048 114.335 114.554 -0.285 0.000 3.105 613 T HA 0.162 4.511 4.350 -0.001 0.000 0.253 613 T C 1.032 175.650 174.700 -0.137 0.000 1.047 613 T CA 0.440 62.442 62.100 -0.164 0.000 0.944 613 T CB -0.192 68.634 68.868 -0.070 0.000 1.016 613 T HN 0.696 nan 8.240 nan 0.000 0.544 614 T N -1.934 112.437 114.554 -0.305 0.000 3.041 614 T HA 0.393 4.743 4.350 -0.001 0.000 0.276 614 T C 0.067 174.551 174.700 -0.359 0.000 0.948 614 T CA -0.551 61.430 62.100 -0.199 0.000 0.885 614 T CB 0.243 69.052 68.868 -0.099 0.000 1.175 614 T HN 0.319 nan 8.240 nan 0.000 0.529 615 K N 0.599 120.546 120.400 -0.755 0.000 2.422 615 K HA 0.685 5.004 4.320 -0.001 0.000 0.251 615 K C -1.908 174.012 176.600 -1.134 0.000 0.933 615 K CA -0.819 55.077 56.287 -0.652 0.000 0.798 615 K CB 2.226 34.486 32.500 -0.399 0.000 1.238 615 K HN 0.110 nan 8.250 nan 0.000 0.428 616 Y N -0.047 120.149 120.300 -0.174 0.000 2.609 616 Y HA 0.464 5.013 4.550 -0.001 0.000 0.342 616 Y C -0.230 175.618 175.900 -0.088 0.000 1.058 616 Y CA -1.170 56.846 58.100 -0.140 0.000 1.055 616 Y CB 1.876 40.339 38.460 0.007 0.000 1.292 616 Y HN 0.236 nan 8.280 nan 0.000 0.476 617 R N 1.704 122.276 120.500 0.119 0.000 2.294 617 R HA 0.574 4.913 4.340 -0.001 0.000 0.319 617 R C -1.267 175.186 176.300 0.255 0.000 0.984 617 R CA -0.641 55.580 56.100 0.201 0.000 0.861 617 R CB 1.508 31.905 30.300 0.161 0.000 1.104 617 R HN 0.673 nan 8.270 nan 0.000 0.451 618 I N 4.382 125.137 120.570 0.308 0.000 2.412 618 I HA 0.437 4.606 4.170 -0.001 0.000 0.296 618 I C -1.086 175.222 176.117 0.319 0.000 0.987 618 I CA -0.795 60.683 61.300 0.296 0.000 1.180 618 I CB 1.108 39.297 38.000 0.314 0.000 1.340 618 I HN 0.544 nan 8.210 nan 0.000 0.455 619 I N 8.015 128.740 120.570 0.257 0.000 2.498 619 I HA 0.506 4.675 4.170 -0.001 0.000 0.290 619 I C -1.009 175.259 176.117 0.252 0.000 1.032 619 I CA -0.464 60.935 61.300 0.165 0.000 1.073 619 I CB 1.734 39.789 38.000 0.092 0.000 1.251 619 I HN 0.503 nan 8.210 nan 0.000 0.426 620 F N 2.720 122.697 119.950 0.045 0.000 2.686 620 F HA 0.580 5.106 4.527 -0.001 0.000 0.311 620 F C -1.012 174.769 175.800 -0.031 0.000 1.128 620 F CA -1.332 56.670 58.000 0.003 0.000 0.946 620 F CB 1.303 40.291 39.000 -0.021 0.000 1.336 620 F HN 0.212 nan 8.300 nan 0.000 0.457 621 K N 1.979 122.468 120.400 0.150 0.000 2.285 621 K HA 0.720 5.039 4.320 -0.001 0.000 0.286 621 K C -0.650 175.992 176.600 0.069 0.000 1.072 621 K CA -0.325 55.987 56.287 0.042 0.000 0.913 621 K CB 0.729 33.285 32.500 0.094 0.000 1.067 621 K HN 0.930 nan 8.250 nan 0.000 0.479 622 A N 4.673 127.439 122.820 -0.090 0.000 2.310 622 A HA 0.403 4.722 4.320 -0.001 0.000 0.299 622 A C -0.620 177.089 177.584 0.208 0.000 1.147 622 A CA -0.675 51.374 52.037 0.019 0.000 0.818 622 A CB 0.654 19.622 19.000 -0.053 0.000 1.096 622 A HN 0.882 nan 8.150 nan 0.000 0.495 623 R N 2.083 122.820 120.500 0.395 0.000 2.409 623 R HA 0.600 4.940 4.340 -0.001 0.000 0.313 623 R C -1.918 174.636 176.300 0.424 0.000 0.953 623 R CA -0.239 56.081 56.100 0.367 0.000 0.849 623 R CB 1.333 31.829 30.300 0.327 0.000 1.171 623 R HN 0.497 nan 8.270 nan 0.000 0.458 624 V N 6.045 126.164 119.914 0.342 0.000 2.656 624 V HA 0.476 4.596 4.120 -0.001 0.000 0.307 624 V C -2.256 173.742 176.094 -0.160 0.000 1.051 624 V CA -2.348 60.046 62.300 0.157 0.000 0.893 624 V CB 1.875 33.762 31.823 0.106 0.000 0.999 624 V HN 0.783 nan 8.190 nan 0.000 0.426 625 P HA 0.226 nan 4.420 nan 0.000 0.271 625 P C -2.756 174.050 177.300 -0.824 0.000 1.233 625 P CA -1.439 60.744 63.100 -1.529 0.000 0.789 625 P CB -0.298 30.685 31.700 -1.195 0.000 0.951 626 P HA 0.086 nan 4.420 nan 0.000 0.264 626 P C 0.103 177.355 177.300 -0.079 0.000 1.193 626 P CA 0.583 63.487 63.100 -0.327 0.000 0.763 626 P CB -0.248 31.326 31.700 -0.209 0.000 0.810 627 M N 0.321 119.920 119.600 -0.002 0.000 2.253 627 M HA -0.212 4.267 4.480 -0.001 0.000 0.199 627 M C 0.565 177.062 176.300 0.328 0.000 0.342 627 M CA 1.007 56.446 55.300 0.233 0.000 0.417 627 M CB -2.084 30.741 32.600 0.376 0.000 1.338 627 M HN 0.586 nan 8.290 nan 0.000 0.920 628 G N -0.216 108.630 108.800 0.078 0.000 3.022 628 G HA2 0.938 4.898 3.960 -0.001 0.000 0.284 628 G HA3 0.938 4.898 3.960 -0.001 0.000 0.284 628 G C -1.356 173.661 174.900 0.196 0.000 1.375 628 G CA -0.981 44.130 45.100 0.019 0.000 0.902 628 G HN 0.178 nan 8.290 nan 0.000 0.538 629 L N -0.521 120.799 121.223 0.162 0.000 2.409 629 L HA 0.800 5.140 4.340 -0.001 0.000 0.262 629 L C -0.285 176.669 176.870 0.140 0.000 0.992 629 L CA -1.059 53.906 54.840 0.208 0.000 0.817 629 L CB 2.488 44.679 42.059 0.219 0.000 1.350 629 L HN 0.764 nan 8.230 nan 0.000 0.411 630 A N 0.801 123.743 122.820 0.203 0.000 2.427 630 A HA 0.790 5.109 4.320 -0.001 0.000 0.298 630 A C -0.761 176.953 177.584 0.217 0.000 1.036 630 A CA -0.439 51.700 52.037 0.170 0.000 0.701 630 A CB 1.694 20.846 19.000 0.252 0.000 1.250 630 A HN 0.558 nan 8.150 nan 0.000 0.412 631 T N 2.222 116.795 114.554 0.032 0.000 2.829 631 T HA 0.645 4.995 4.350 -0.001 0.000 0.282 631 T C -1.020 173.554 174.700 -0.209 0.000 0.990 631 T CA 0.282 62.441 62.100 0.098 0.000 1.028 631 T CB 0.318 69.248 68.868 0.103 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.289 120.659 120.300 0.117 0.000 2.605 632 Y HA 0.672 5.222 4.550 -0.001 0.000 0.343 632 Y C -0.335 175.471 175.900 -0.158 0.000 1.036 632 Y CA -1.179 56.901 58.100 -0.033 0.000 1.065 632 Y CB 1.673 40.121 38.460 -0.020 0.000 1.288 632 Y HN 0.300 nan 8.280 nan 0.000 0.481 633 V N 3.093 122.956 119.914 -0.084 0.000 2.588 633 V HA 0.440 4.560 4.120 -0.001 0.000 0.304 633 V C -0.798 175.235 176.094 -0.100 0.000 1.042 633 V CA -0.963 61.233 62.300 -0.173 0.000 0.877 633 V CB 1.760 33.416 31.823 -0.278 0.000 0.996 633 V HN 0.493 nan 8.190 nan 0.000 0.425 634 L N 3.814 125.008 121.223 -0.047 0.000 2.296 634 L HA 0.685 5.025 4.340 -0.001 0.000 0.286 634 L C -0.082 176.807 176.870 0.033 0.000 1.023 634 L CA -0.147 54.681 54.840 -0.020 0.000 0.812 634 L CB 1.708 43.768 42.059 0.003 0.000 1.223 634 L HN 0.584 nan 8.230 nan 0.000 0.421 635 T N 3.712 118.289 114.554 0.038 0.000 2.861 635 T HA 0.467 4.816 4.350 -0.001 0.000 0.287 635 T C -0.222 174.528 174.700 0.084 0.000 1.003 635 T CA -0.381 61.755 62.100 0.060 0.000 0.977 635 T CB 2.402 71.295 68.868 0.042 0.000 0.996 635 T HN 0.404 nan 8.240 nan 0.000 0.448 636 I N 3.020 123.648 120.570 0.096 0.000 2.612 636 I HA 0.557 4.727 4.170 -0.001 0.000 0.295 636 I C 0.219 176.401 176.117 0.109 0.000 1.011 636 I CA 0.073 61.446 61.300 0.122 0.000 1.326 636 I CB 0.804 38.879 38.000 0.123 0.000 1.427 636 I HN 0.821 nan 8.210 nan 0.000 0.537 637 S N 3.508 119.290 115.700 0.135 0.000 2.697 637 S HA 0.320 4.790 4.470 -0.001 0.000 0.289 637 S C 0.101 174.737 174.600 0.061 0.000 1.149 637 S CA -0.558 57.686 58.200 0.073 0.000 0.850 637 S CB 1.527 64.746 63.200 0.030 0.000 1.151 637 S HN 0.729 nan 8.310 nan 0.000 0.491 638 D N 0.018 120.395 120.400 -0.038 0.000 2.355 638 D HA 0.085 4.725 4.640 -0.001 0.000 0.218 638 D C 0.705 176.772 176.300 -0.388 0.000 1.004 638 D CA 0.666 54.617 54.000 -0.081 0.000 0.880 638 D CB -0.121 40.645 40.800 -0.055 0.000 0.911 638 D HN 0.630 nan 8.370 nan 0.000 0.528 639 S N -1.417 113.914 115.700 -0.614 0.000 2.688 639 S HA 0.348 4.817 4.470 -0.001 0.000 0.275 639 S C -0.760 173.318 174.600 -0.870 0.000 1.175 639 S CA -1.178 56.345 58.200 -1.128 0.000 0.818 639 S CB 1.491 64.356 63.200 -0.558 0.000 1.157 639 S HN -0.051 nan 8.310 nan 0.000 0.482 640 K N 1.961 121.953 120.400 -0.679 0.000 2.437 640 K HA 0.177 4.497 4.320 -0.001 0.000 0.277 640 K C -2.384 174.215 176.600 -0.001 0.000 1.073 640 K CA -0.534 55.711 56.287 -0.070 0.000 1.105 640 K CB -0.604 31.913 32.500 0.028 0.000 0.881 640 K HN 0.382 nan 8.250 nan 0.000 0.475 641 P HA 0.007 nan 4.420 nan 0.000 0.274 641 P C 0.531 177.839 177.300 0.013 0.000 1.231 641 P CA -0.305 62.829 63.100 0.057 0.000 0.790 641 P CB 0.737 32.500 31.700 0.106 0.000 0.951 642 E N 0.842 121.002 120.200 -0.067 0.000 2.118 642 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 642 E C 0.562 176.963 176.600 -0.331 0.000 0.992 642 E CA 1.177 57.434 56.400 -0.239 0.000 0.804 642 E CB -0.016 29.444 29.700 -0.400 0.000 0.741 642 E HN 0.495 nan 8.360 nan 0.000 0.458 643 H N -0.942 118.136 119.070 0.013 0.000 2.505 643 H HA 0.223 4.778 4.556 -0.001 0.000 0.286 643 H C -0.436 174.885 175.328 -0.012 0.000 1.072 643 H CA 0.147 56.198 56.048 0.005 0.000 1.141 643 H CB 0.757 30.522 29.762 0.004 0.000 1.550 643 H HN -0.060 nan 8.280 nan 0.000 0.547 644 T N 1.545 116.121 114.554 0.036 0.000 2.792 644 T HA 0.319 4.669 4.350 -0.001 0.000 0.280 644 T C 0.362 174.940 174.700 -0.203 0.000 0.990 644 T CA -0.678 61.373 62.100 -0.081 0.000 0.960 644 T CB 2.153 70.970 68.868 -0.084 0.000 0.939 644 T HN 0.284 nan 8.240 nan 0.000 0.439 645 S N 2.336 117.872 115.700 -0.273 0.000 2.718 645 S HA 0.781 5.251 4.470 -0.001 0.000 0.300 645 S C -1.405 172.822 174.600 -0.621 0.000 1.117 645 S CA -0.790 57.249 58.200 -0.267 0.000 1.002 645 S CB 0.852 64.015 63.200 -0.062 0.000 1.092 645 S HN 0.569 nan 8.310 nan 0.000 0.542 646 Y N -0.047 120.257 120.300 0.007 0.000 2.391 646 Y HA 0.652 5.201 4.550 -0.001 0.000 0.341 646 Y C 0.560 176.508 175.900 0.081 0.000 0.965 646 Y CA -0.756 57.331 58.100 -0.022 0.000 1.067 646 Y CB 1.697 40.009 38.460 -0.248 0.000 1.199 646 Y HN 1.041 nan 8.280 nan 0.000 0.450 647 A N 2.077 125.080 122.820 0.306 0.000 2.407 647 A HA 0.522 4.841 4.320 -0.001 0.000 0.248 647 A C 0.111 177.889 177.584 0.324 0.000 1.082 647 A CA -0.352 51.851 52.037 0.278 0.000 0.785 647 A CB 0.104 19.262 19.000 0.263 0.000 1.020 647 A HN 0.707 nan 8.150 nan 0.000 0.489 648 S N 1.254 117.082 115.700 0.212 0.000 2.632 648 S HA 0.405 4.874 4.470 -0.001 0.000 0.271 648 S C -0.077 174.618 174.600 0.157 0.000 1.260 648 S CA -0.688 57.621 58.200 0.183 0.000 1.010 648 S CB 0.446 63.711 63.200 0.109 0.000 0.965 648 S HN 0.733 nan 8.310 nan 0.000 0.534 649 N N 1.032 119.802 118.700 0.116 0.000 2.310 649 N HA 0.437 5.176 4.740 -0.001 0.000 0.292 649 N C -1.867 173.587 175.510 -0.094 0.000 1.049 649 N CA -0.543 52.533 53.050 0.042 0.000 0.849 649 N CB 2.214 40.811 38.487 0.183 0.000 1.532 649 N HN 0.341 nan 8.380 nan 0.000 0.479 650 L N 2.770 123.895 121.223 -0.164 0.000 2.372 650 L HA 0.488 4.828 4.340 -0.001 0.000 0.274 650 L C -1.413 175.298 176.870 -0.265 0.000 0.988 650 L CA -0.524 54.192 54.840 -0.207 0.000 0.833 650 L CB 1.414 43.406 42.059 -0.113 0.000 1.236 650 L HN 0.443 nan 8.230 nan 0.000 0.410 651 L N 6.731 127.742 121.223 -0.354 0.000 2.265 651 L HA 0.453 4.793 4.340 -0.001 0.000 0.289 651 L C -1.191 175.642 176.870 -0.061 0.000 1.033 651 L CA -0.414 54.275 54.840 -0.253 0.000 0.814 651 L CB 1.168 43.055 42.059 -0.287 0.000 1.203 651 L HN 0.680 nan 8.230 nan 0.000 0.423 652 L N 6.905 128.109 121.223 -0.031 0.000 2.262 652 L HA 0.546 4.886 4.340 -0.001 0.000 0.288 652 L C -0.330 176.569 176.870 0.048 0.000 1.035 652 L CA -0.500 54.353 54.840 0.023 0.000 0.820 652 L CB 1.029 43.095 42.059 0.011 0.000 1.204 652 L HN 0.655 nan 8.230 nan 0.000 0.424 653 R N 1.976 122.517 120.500 0.067 0.000 2.739 653 R HA 0.434 4.773 4.340 -0.001 0.000 0.266 653 R C -1.615 174.713 176.300 0.046 0.000 1.044 653 R CA -1.040 55.092 56.100 0.054 0.000 0.885 653 R CB 1.066 31.395 30.300 0.049 0.000 1.260 653 R HN 0.125 nan 8.270 nan 0.000 0.477 654 K N 1.345 121.761 120.400 0.026 0.000 2.168 654 K HA 0.137 4.456 4.320 -0.001 0.000 0.258 654 K C -0.157 176.438 176.600 -0.009 0.000 1.010 654 K CA -0.451 55.843 56.287 0.012 0.000 0.929 654 K CB 0.294 32.799 32.500 0.009 0.000 0.998 654 K HN 0.825 nan 8.250 nan 0.000 0.479 655 N N 0.712 119.396 118.700 -0.026 0.000 2.727 655 N HA -0.108 4.632 4.740 -0.001 0.000 0.251 655 N C -2.580 172.881 175.510 -0.082 0.000 1.040 655 N CA 0.155 53.173 53.050 -0.054 0.000 0.712 655 N CB -0.803 37.654 38.487 -0.049 0.000 0.912 655 N HN 0.411 nan 8.380 nan 0.000 0.545 656 P HA 0.298 nan 4.420 nan 0.000 0.276 656 P C -0.279 176.854 177.300 -0.278 0.000 1.244 656 P CA -0.080 62.922 63.100 -0.163 0.000 0.801 656 P CB 1.021 32.601 31.700 -0.201 0.000 1.006 657 T N -2.592 111.796 114.554 -0.277 0.000 2.916 657 T HA 0.488 4.838 4.350 -0.001 0.000 0.292 657 T C 0.277 174.796 174.700 -0.301 0.000 1.064 657 T CA -0.765 61.180 62.100 -0.259 0.000 1.011 657 T CB 0.613 69.405 68.868 -0.128 0.000 1.152 657 T HN 0.482 nan 8.240 nan 0.000 0.510 658 S N 0.602 116.179 115.700 -0.205 0.000 2.569 658 S HA 0.379 4.848 4.470 -0.001 0.000 0.274 658 S C -0.162 174.545 174.600 0.178 0.000 1.353 658 S CA -0.719 57.457 58.200 -0.040 0.000 1.023 658 S CB -0.338 62.858 63.200 -0.007 0.000 0.876 658 S HN 0.701 nan 8.310 nan 0.000 0.540 659 L N 1.896 123.321 121.223 0.337 0.000 2.489 659 L HA 0.359 4.698 4.340 -0.001 0.000 0.257 659 L C -2.455 174.524 176.870 0.182 0.000 1.215 659 L CA -1.543 53.469 54.840 0.286 0.000 0.915 659 L CB 1.670 43.979 42.059 0.416 0.000 1.146 659 L HN 0.582 nan 8.230 nan 0.000 0.494 660 P HA 0.202 nan 4.420 nan 0.000 0.272 660 P C -0.038 177.261 177.300 -0.002 0.000 1.223 660 P CA -0.139 62.998 63.100 0.062 0.000 0.784 660 P CB 1.507 33.233 31.700 0.044 0.000 0.923 661 L N 0.831 122.061 121.223 0.011 0.000 3.366 661 L HA 0.292 4.632 4.340 -0.001 0.000 0.304 661 L C 1.368 178.304 176.870 0.110 0.000 1.292 661 L CA -0.086 54.738 54.840 -0.026 0.000 1.012 661 L CB 0.054 42.062 42.059 -0.084 0.000 1.414 661 L HN 0.731 nan 8.230 nan 0.000 0.603 662 G N 1.214 110.061 108.800 0.078 0.000 2.591 662 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.298 662 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.298 662 G C 0.532 175.482 174.900 0.084 0.000 1.195 662 G CA 0.762 45.924 45.100 0.103 0.000 0.989 662 G HN 0.468 nan 8.290 nan 0.000 0.551 663 Q N -0.467 119.359 119.800 0.043 0.000 2.444 663 Q HA 0.226 4.565 4.340 -0.001 0.000 0.206 663 Q C 0.821 176.643 176.000 -0.296 0.000 0.948 663 Q CA 0.194 55.912 55.803 -0.142 0.000 0.946 663 Q CB 0.309 28.875 28.738 -0.286 0.000 1.027 663 Q HN 0.513 nan 8.270 nan 0.000 0.513 664 Y N 4.112 124.206 120.300 -0.343 0.000 2.805 664 Y HA -0.062 4.487 4.550 -0.001 0.000 0.331 664 Y C -1.386 174.361 175.900 -0.254 0.000 1.241 664 Y CA -1.395 56.488 58.100 -0.362 0.000 1.546 664 Y CB 0.807 39.208 38.460 -0.098 0.000 1.248 664 Y HN 0.061 nan 8.280 nan 0.000 0.559 665 P HA -0.064 nan 4.420 nan 0.000 0.237 665 P C -0.750 176.398 177.300 -0.252 0.000 1.178 665 P CA 1.025 63.855 63.100 -0.449 0.000 0.766 665 P CB 0.499 31.813 31.700 -0.644 0.000 0.876 666 E N 0.959 121.054 120.200 -0.175 0.000 2.199 666 E HA 0.218 4.567 4.350 -0.001 0.000 0.265 666 E C -0.621 176.102 176.600 0.205 0.000 0.882 666 E CA -0.600 55.832 56.400 0.053 0.000 0.759 666 E CB 1.477 31.250 29.700 0.121 0.000 1.148 666 E HN 0.024 nan 8.360 nan 0.000 0.412 667 D N 1.453 121.932 120.400 0.132 0.000 2.389 667 D HA 0.079 4.718 4.640 -0.001 0.000 0.247 667 D C 0.249 176.619 176.300 0.116 0.000 1.128 667 D CA -0.207 53.875 54.000 0.137 0.000 0.884 667 D CB 1.169 42.036 40.800 0.113 0.000 1.194 667 D HN 0.045 nan 8.370 nan 0.000 0.441 668 V N 2.737 122.704 119.914 0.090 0.000 2.673 668 V HA -0.059 4.060 4.120 -0.001 0.000 0.303 668 V C 0.721 176.671 176.094 -0.240 0.000 1.046 668 V CA 0.324 62.576 62.300 -0.080 0.000 1.126 668 V CB 0.363 32.105 31.823 -0.135 0.000 0.934 668 V HN 0.368 nan 8.190 nan 0.000 0.487 669 K N 3.380 123.580 120.400 -0.333 0.000 2.118 669 K HA 0.732 5.052 4.320 -0.001 0.000 0.254 669 K C -0.978 175.274 176.600 -0.581 0.000 0.961 669 K CA -0.161 55.968 56.287 -0.264 0.000 0.876 669 K CB 1.269 33.720 32.500 -0.082 0.000 1.077 669 K HN 0.417 nan 8.250 nan 0.000 0.440 670 F N -0.462 119.499 119.950 0.018 0.000 2.593 670 F HA 0.799 5.326 4.527 -0.001 0.000 0.320 670 F C 0.589 176.391 175.800 0.004 0.000 1.060 670 F CA -0.598 57.404 58.000 0.003 0.000 0.940 670 F CB 2.678 41.679 39.000 0.002 0.000 1.268 670 F HN 0.533 nan 8.300 nan 0.000 0.475 671 G N 0.294 109.201 108.800 0.178 0.000 2.523 671 G HA2 0.383 4.342 3.960 -0.001 0.000 0.291 671 G HA3 0.383 4.342 3.960 -0.001 0.000 0.291 671 G C -2.186 172.763 174.900 0.082 0.000 1.450 671 G CA -0.874 44.290 45.100 0.106 0.000 0.790 671 G HN 0.364 nan 8.290 nan 0.000 0.496 672 D N 0.817 121.253 120.400 0.060 0.000 2.362 672 D HA 0.401 5.041 4.640 -0.001 0.000 0.242 672 D C -1.981 174.345 176.300 0.044 0.000 1.132 672 D CA -0.638 53.391 54.000 0.047 0.000 0.907 672 D CB 0.956 41.779 40.800 0.037 0.000 1.195 672 D HN 0.010 nan 8.370 nan 0.000 0.429 673 P HA 0.049 nan 4.420 nan 0.000 0.263 673 P C -0.424 176.902 177.300 0.043 0.000 1.175 673 P CA 0.450 63.576 63.100 0.043 0.000 0.761 673 P CB 0.379 32.107 31.700 0.046 0.000 0.794 674 R N 0.406 120.934 120.500 0.047 0.000 2.690 674 R HA 0.401 4.740 4.340 -0.001 0.000 0.269 674 R C -1.177 175.162 176.300 0.064 0.000 1.037 674 R CA -1.011 55.118 56.100 0.048 0.000 0.877 674 R CB 1.097 31.422 30.300 0.041 0.000 1.255 674 R HN 0.231 nan 8.270 nan 0.000 0.467 675 E N 1.881 122.120 120.200 0.066 0.000 2.392 675 E HA 0.222 4.571 4.350 -0.001 0.000 0.264 675 E C 0.001 176.660 176.600 0.098 0.000 1.024 675 E CA 0.035 56.489 56.400 0.090 0.000 0.903 675 E CB 0.811 30.550 29.700 0.065 0.000 0.963 675 E HN 0.450 nan 8.360 nan 0.000 0.432 676 I N -1.917 118.746 120.570 0.156 0.000 2.969 676 I HA 0.563 4.732 4.170 -0.001 0.000 0.307 676 I C -0.576 175.690 176.117 0.247 0.000 1.149 676 I CA -0.796 60.595 61.300 0.153 0.000 1.008 676 I CB 2.456 40.514 38.000 0.098 0.000 1.232 676 I HN 0.117 nan 8.210 nan 0.000 0.435 677 S N 3.830 119.646 115.700 0.194 0.000 2.542 677 S HA 0.830 5.300 4.470 -0.001 0.000 0.293 677 S C -0.795 173.928 174.600 0.205 0.000 1.089 677 S CA -0.641 57.693 58.200 0.222 0.000 0.961 677 S CB 1.693 64.977 63.200 0.141 0.000 1.062 677 S HN 0.524 nan 8.310 nan 0.000 0.483 678 L N 2.028 123.400 121.223 0.248 0.000 2.409 678 L HA 0.687 5.027 4.340 -0.001 0.000 0.262 678 L C -0.494 176.471 176.870 0.158 0.000 0.992 678 L CA -0.691 54.263 54.840 0.190 0.000 0.817 678 L CB 2.309 44.495 42.059 0.211 0.000 1.350 678 L HN 0.502 nan 8.230 nan 0.000 0.411 679 R N 1.607 122.176 120.500 0.115 0.000 2.522 679 R HA 0.629 4.968 4.340 -0.001 0.000 0.283 679 R C -2.058 174.289 176.300 0.078 0.000 1.074 679 R CA -0.470 55.685 56.100 0.092 0.000 0.925 679 R CB 2.291 32.636 30.300 0.074 0.000 1.205 679 R HN 0.404 nan 8.270 nan 0.000 0.436 680 V N 4.606 124.565 119.914 0.074 0.000 2.427 680 V HA 0.559 4.679 4.120 -0.001 0.000 0.286 680 V C 1.147 177.272 176.094 0.052 0.000 1.034 680 V CA 0.655 62.993 62.300 0.064 0.000 0.893 680 V CB 1.037 32.901 31.823 0.067 0.000 0.982 680 V HN 1.116 nan 8.190 nan 0.000 0.452 681 G N 5.052 113.881 108.800 0.048 0.000 2.596 681 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.295 681 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.295 681 G C 0.463 175.384 174.900 0.035 0.000 1.240 681 G CA 0.588 45.712 45.100 0.041 0.000 0.985 681 G HN 0.685 nan 8.290 nan 0.000 0.555 682 N N 2.358 121.076 118.700 0.029 0.000 2.251 682 N HA 0.278 5.018 4.740 -0.001 0.000 0.217 682 N C 1.134 176.654 175.510 0.017 0.000 1.124 682 N CA 0.930 53.993 53.050 0.021 0.000 0.843 682 N CB 0.506 39.002 38.487 0.016 0.000 1.024 682 N HN 0.804 nan 8.380 nan 0.000 0.501 683 G N 1.619 110.433 108.800 0.024 0.000 2.494 683 G HA2 0.246 4.205 3.960 -0.001 0.000 0.270 683 G HA3 0.246 4.205 3.960 -0.001 0.000 0.270 683 G C -2.370 172.539 174.900 0.015 0.000 1.423 683 G CA -0.610 44.502 45.100 0.020 0.000 1.055 683 G HN 0.000 nan 8.290 nan 0.000 0.536 684 P HA 0.227 nan 4.420 nan 0.000 0.274 684 P C -0.545 176.768 177.300 0.022 0.000 1.237 684 P CA 0.036 63.136 63.100 0.001 0.000 0.793 684 P CB 0.859 32.557 31.700 -0.005 0.000 0.977 685 T N 2.219 116.779 114.554 0.011 0.000 2.771 685 T HA 0.492 4.842 4.350 -0.001 0.000 0.281 685 T C -0.082 174.645 174.700 0.044 0.000 0.982 685 T CA -0.395 61.736 62.100 0.051 0.000 0.978 685 T CB 0.178 69.084 68.868 0.063 0.000 0.930 685 T HN 0.171 nan 8.240 nan 0.000 0.447 686 L N 2.578 123.841 121.223 0.066 0.000 2.346 686 L HA 0.792 5.131 4.340 -0.001 0.000 0.276 686 L C 0.093 176.918 176.870 -0.076 0.000 1.006 686 L CA -1.199 53.601 54.840 -0.067 0.000 0.817 686 L CB 1.631 43.618 42.059 -0.120 0.000 1.272 686 L HN 0.648 nan 8.230 nan 0.000 0.421 687 A N 3.074 125.766 122.820 -0.214 0.000 2.337 687 A HA 0.870 5.190 4.320 -0.001 0.000 0.329 687 A C -1.228 176.159 177.584 -0.327 0.000 1.146 687 A CA -0.296 51.680 52.037 -0.101 0.000 0.800 687 A CB 0.833 19.818 19.000 -0.025 0.000 1.220 687 A HN 0.506 nan 8.150 nan 0.000 0.472 688 F N 0.823 120.823 119.950 0.082 0.000 2.546 688 F HA 0.528 5.054 4.527 -0.001 0.000 0.320 688 F C 1.080 176.932 175.800 0.087 0.000 1.076 688 F CA -0.275 57.789 58.000 0.107 0.000 0.928 688 F CB 2.228 41.290 39.000 0.104 0.000 1.189 688 F HN 0.683 nan 8.300 nan 0.000 0.465 689 S N 0.119 115.988 115.700 0.283 0.000 2.608 689 S HA 0.097 4.566 4.470 -0.001 0.000 0.261 689 S C 1.042 175.749 174.600 0.179 0.000 1.314 689 S CA -0.074 58.236 58.200 0.184 0.000 0.992 689 S CB 0.718 64.026 63.200 0.180 0.000 0.935 689 S HN 0.855 nan 8.310 nan 0.000 0.564 690 E N -0.169 120.103 120.200 0.119 0.000 2.401 690 E HA -0.202 4.147 4.350 -0.001 0.000 0.199 690 E C 1.288 177.949 176.600 0.102 0.000 1.023 690 E CA 1.025 57.483 56.400 0.098 0.000 0.859 690 E CB -0.390 29.352 29.700 0.069 0.000 0.780 690 E HN 0.767 nan 8.360 nan 0.000 0.523 691 Q N -0.126 119.752 119.800 0.129 0.000 2.280 691 Q HA 0.207 4.547 4.340 -0.001 0.000 0.201 691 Q C 0.772 176.860 176.000 0.147 0.000 0.890 691 Q CA 0.440 56.317 55.803 0.123 0.000 0.947 691 Q CB 1.038 29.854 28.738 0.129 0.000 1.081 691 Q HN 0.489 nan 8.270 nan 0.000 0.502 692 G N 0.420 109.330 108.800 0.182 0.000 2.136 692 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.242 692 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.242 692 G C -0.301 174.825 174.900 0.377 0.000 0.989 692 G CA -0.220 44.992 45.100 0.187 0.000 0.682 692 G HN 0.250 nan 8.290 nan 0.000 0.522 693 L N -0.045 121.442 121.223 0.440 0.000 2.329 693 L HA 0.672 5.011 4.340 -0.001 0.000 0.279 693 L C 0.796 177.968 176.870 0.502 0.000 1.014 693 L CA -1.405 53.737 54.840 0.504 0.000 0.814 693 L CB 1.614 43.870 42.059 0.328 0.000 1.257 693 L HN 0.124 nan 8.230 nan 0.000 0.424 694 L N 3.236 124.724 121.223 0.442 0.000 2.559 694 L HA -0.088 4.252 4.340 -0.001 0.000 0.282 694 L C 1.030 177.971 176.870 0.119 0.000 1.232 694 L CA 1.109 55.948 54.840 -0.002 0.000 0.885 694 L CB 0.067 42.148 42.059 0.038 0.000 1.131 694 L HN 0.750 nan 8.230 nan 0.000 0.498 695 K N 1.553 121.931 120.400 -0.036 0.000 2.424 695 K HA 0.222 4.542 4.320 -0.001 0.000 0.198 695 K C -0.276 176.277 176.600 -0.079 0.000 1.190 695 K CA 0.580 56.872 56.287 0.008 0.000 0.935 695 K CB 0.495 32.978 32.500 -0.028 0.000 1.087 695 K HN 0.787 nan 8.250 nan 0.000 0.524 696 S N -0.219 115.407 115.700 -0.123 0.000 2.565 696 S HA 0.517 4.986 4.470 -0.001 0.000 0.269 696 S C -0.952 173.593 174.600 -0.091 0.000 1.153 696 S CA -1.016 57.133 58.200 -0.084 0.000 0.835 696 S CB 1.388 64.587 63.200 -0.001 0.000 1.122 696 S HN 0.113 nan 8.310 nan 0.000 0.462 697 I N 1.519 122.046 120.570 -0.072 0.000 2.466 697 I HA 0.450 4.620 4.170 -0.001 0.000 0.289 697 I C -0.477 175.589 176.117 -0.084 0.000 1.026 697 I CA -0.368 60.887 61.300 -0.075 0.000 1.078 697 I CB 2.083 40.031 38.000 -0.087 0.000 1.249 697 I HN 0.725 nan 8.210 nan 0.000 0.429 698 Q N 6.122 125.856 119.800 -0.110 0.000 2.368 698 Q HA 0.411 4.751 4.340 -0.001 0.000 0.263 698 Q C 0.042 175.961 176.000 -0.135 0.000 1.009 698 Q CA -0.509 55.160 55.803 -0.223 0.000 0.818 698 Q CB 1.636 30.082 28.738 -0.487 0.000 1.239 698 Q HN 0.782 nan 8.270 nan 0.000 0.464 699 L N 2.041 123.196 121.223 -0.113 0.000 2.056 699 L HA -0.015 4.324 4.340 -0.001 0.000 0.207 699 L C 1.176 178.009 176.870 -0.061 0.000 1.078 699 L CA 1.302 56.099 54.840 -0.072 0.000 0.749 699 L CB -0.232 41.789 42.059 -0.064 0.000 0.901 699 L HN 0.685 nan 8.230 nan 0.000 0.433 700 T N -6.375 108.135 114.554 -0.074 0.000 2.864 700 T HA 0.209 4.559 4.350 -0.001 0.000 0.289 700 T C 0.545 175.207 174.700 -0.063 0.000 1.082 700 T CA -0.842 61.226 62.100 -0.054 0.000 1.009 700 T CB 1.780 70.623 68.868 -0.042 0.000 1.234 700 T HN -0.103 nan 8.240 nan 0.000 0.526 701 Q N 0.841 120.619 119.800 -0.037 0.000 2.112 701 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 701 Q C 1.841 177.820 176.000 -0.035 0.000 0.987 701 Q CA 2.403 58.190 55.803 -0.027 0.000 0.858 701 Q CB -0.372 28.361 28.738 -0.007 0.000 0.905 701 Q HN 0.889 nan 8.270 nan 0.000 0.420 702 D N 0.297 120.676 120.400 -0.035 0.000 2.224 702 D HA -0.073 4.567 4.640 -0.001 0.000 0.205 702 D C 0.901 177.172 176.300 -0.049 0.000 0.965 702 D CA 0.556 54.538 54.000 -0.030 0.000 0.852 702 D CB -0.224 40.563 40.800 -0.021 0.000 0.947 702 D HN 0.082 nan 8.370 nan 0.000 0.494 703 S N 0.548 116.197 115.700 -0.086 0.000 2.632 703 S HA 0.448 4.917 4.470 -0.001 0.000 0.267 703 S C -2.602 171.915 174.600 -0.139 0.000 1.276 703 S CA -1.330 56.812 58.200 -0.097 0.000 0.998 703 S CB 0.895 64.038 63.200 -0.096 0.000 0.953 703 S HN -0.144 nan 8.310 nan 0.000 0.547 704 P HA 0.090 nan 4.420 nan 0.000 0.267 704 P C -0.495 176.716 177.300 -0.150 0.000 1.200 704 P CA 0.057 63.122 63.100 -0.059 0.000 0.772 704 P CB 0.110 31.799 31.700 -0.018 0.000 0.855 705 H N 1.229 120.284 119.070 -0.024 0.000 3.067 705 H HA 0.114 4.669 4.556 -0.001 0.000 0.265 705 H C -0.108 175.188 175.328 -0.054 0.000 1.234 705 H CA -0.258 55.767 56.048 -0.039 0.000 1.452 705 H CB -0.119 29.622 29.762 -0.035 0.000 1.527 705 H HN 0.121 nan 8.280 nan 0.000 0.486 706 V N 7.026 126.931 119.914 -0.015 0.000 2.470 706 V HA 0.042 4.161 4.120 -0.001 0.000 0.276 706 V C -1.859 174.184 176.094 -0.084 0.000 1.040 706 V CA -1.470 60.802 62.300 -0.047 0.000 1.008 706 V CB 0.619 32.403 31.823 -0.065 0.000 0.990 706 V HN 0.545 nan 8.190 nan 0.000 0.477 707 P HA 0.189 nan 4.420 nan 0.000 0.266 707 P C -0.788 176.373 177.300 -0.232 0.000 1.215 707 P CA 0.218 63.179 63.100 -0.233 0.000 0.763 707 P CB 0.508 31.918 31.700 -0.484 0.000 0.806 708 V N 4.070 123.878 119.914 -0.177 0.000 2.614 708 V HA 0.197 4.317 4.120 -0.001 0.000 0.281 708 V C -0.875 175.125 176.094 -0.155 0.000 1.031 708 V CA -0.412 61.770 62.300 -0.197 0.000 0.899 708 V CB 1.115 32.808 31.823 -0.217 0.000 1.037 708 V HN 0.549 nan 8.190 nan 0.000 0.456 709 H N 4.390 123.306 119.070 -0.256 0.000 2.505 709 H HA 0.691 5.247 4.556 -0.001 0.000 0.338 709 H C -1.187 174.026 175.328 -0.191 0.000 1.057 709 H CA -0.908 55.036 56.048 -0.173 0.000 1.202 709 H CB 1.123 30.825 29.762 -0.100 0.000 1.466 709 H HN 0.383 nan 8.280 nan 0.000 0.499 710 F N 3.770 123.419 119.950 -0.502 0.000 2.399 710 F HA 0.370 4.896 4.527 -0.001 0.000 0.342 710 F C 0.412 175.711 175.800 -0.834 0.000 1.106 710 F CA -0.028 57.638 58.000 -0.557 0.000 1.196 710 F CB 0.910 39.704 39.000 -0.344 0.000 1.163 710 F HN 0.458 nan 8.300 nan 0.000 0.547 711 K N 3.107 123.265 120.400 -0.404 0.000 2.523 711 K HA 0.494 4.814 4.320 -0.001 0.000 0.257 711 K C -1.959 174.400 176.600 -0.401 0.000 0.932 711 K CA -0.558 55.546 56.287 -0.306 0.000 0.812 711 K CB 1.280 33.676 32.500 -0.174 0.000 1.326 711 K HN 0.383 nan 8.250 nan 0.000 0.433 712 F N 3.942 123.824 119.950 -0.113 0.000 2.443 712 F HA 0.502 5.029 4.527 -0.001 0.000 0.335 712 F C -0.356 175.410 175.800 -0.056 0.000 1.104 712 F CA -0.568 57.379 58.000 -0.089 0.000 1.013 712 F CB 1.170 40.104 39.000 -0.111 0.000 1.136 712 F HN 0.246 nan 8.300 nan 0.000 0.470 713 L N 2.519 123.794 121.223 0.087 0.000 2.277 713 L HA 0.633 4.972 4.340 -0.001 0.000 0.254 713 L C -1.148 175.727 176.870 0.008 0.000 1.044 713 L CA -1.020 53.822 54.840 0.004 0.000 0.842 713 L CB 2.288 44.286 42.059 -0.102 0.000 1.422 713 L HN 0.503 nan 8.230 nan 0.000 0.422 714 K N -0.442 119.925 120.400 -0.055 0.000 2.427 714 K HA 0.666 4.985 4.320 -0.001 0.000 0.252 714 K C -1.778 174.776 176.600 -0.076 0.000 0.931 714 K CA -0.791 55.497 56.287 0.002 0.000 0.793 714 K CB 1.706 34.237 32.500 0.051 0.000 1.211 714 K HN 0.250 nan 8.250 nan 0.000 0.426 715 Y N 0.641 121.005 120.300 0.107 0.000 2.387 715 Y HA 0.516 5.066 4.550 -0.001 0.000 0.330 715 Y C 1.011 176.970 175.900 0.099 0.000 1.133 715 Y CA 0.054 58.227 58.100 0.122 0.000 1.152 715 Y CB 2.149 40.747 38.460 0.231 0.000 1.215 715 Y HN 0.920 nan 8.280 nan 0.000 0.466 716 G N 0.561 109.506 108.800 0.241 0.000 2.938 716 G HA2 0.628 4.588 3.960 -0.001 0.000 0.258 716 G HA3 0.628 4.588 3.960 -0.001 0.000 0.258 716 G C -1.439 173.531 174.900 0.115 0.000 1.356 716 G CA -0.735 44.450 45.100 0.142 0.000 1.052 716 G HN 0.437 nan 8.290 nan 0.000 0.550 717 V N -0.200 119.750 119.914 0.060 0.000 2.864 717 V HA 0.464 4.583 4.120 -0.001 0.000 0.314 717 V C 0.032 176.115 176.094 -0.019 0.000 1.073 717 V CA -0.888 61.425 62.300 0.023 0.000 0.956 717 V CB 1.917 33.758 31.823 0.030 0.000 1.023 717 V HN 0.689 nan 8.190 nan 0.000 0.435 718 R N 1.302 121.763 120.500 -0.065 0.000 2.590 718 R HA 0.180 4.519 4.340 -0.001 0.000 0.274 718 R C 1.175 177.411 176.300 -0.106 0.000 1.061 718 R CA 0.455 56.475 56.100 -0.134 0.000 1.081 718 R CB 0.530 30.703 30.300 -0.213 0.000 0.984 718 R HN 0.920 nan 8.270 nan 0.000 0.448 719 S N 0.902 116.537 115.700 -0.109 0.000 2.501 719 S HA -0.039 4.431 4.470 -0.001 0.000 0.220 719 S C 0.243 174.863 174.600 0.033 0.000 0.997 719 S CA 0.047 58.237 58.200 -0.016 0.000 0.919 719 S CB -0.277 62.946 63.200 0.038 0.000 0.778 719 S HN 0.832 nan 8.310 nan 0.000 0.523 720 H N -1.653 117.419 119.070 0.003 0.000 2.895 720 H HA 0.756 5.311 4.556 -0.001 0.000 0.373 720 H C 0.398 175.725 175.328 -0.002 0.000 1.174 720 H CA -0.394 55.654 56.048 0.000 0.000 1.144 720 H CB 1.062 30.824 29.762 0.000 0.000 1.793 720 H HN 0.399 nan 8.280 nan 0.000 0.551 721 G N 1.276 110.133 108.800 0.095 0.000 2.615 721 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 721 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 721 G C -1.163 173.725 174.900 -0.021 0.000 1.339 721 G CA -0.275 44.846 45.100 0.033 0.000 0.884 721 G HN 0.881 nan 8.290 nan 0.000 0.559 722 D N 0.866 121.247 120.400 -0.031 0.000 2.345 722 D HA 0.563 5.203 4.640 -0.001 0.000 0.247 722 D C 0.830 177.103 176.300 -0.045 0.000 1.108 722 D CA 0.108 54.089 54.000 -0.032 0.000 0.894 722 D CB 0.845 41.626 40.800 -0.032 0.000 1.203 722 D HN 0.368 nan 8.370 nan 0.000 0.430 723 R N 0.509 120.990 120.500 -0.032 0.000 2.407 723 R HA 0.347 4.686 4.340 -0.001 0.000 0.303 723 R C -0.129 176.161 176.300 -0.017 0.000 0.981 723 R CA -0.660 55.426 56.100 -0.023 0.000 0.905 723 R CB 0.909 31.204 30.300 -0.008 0.000 1.099 723 R HN 0.226 nan 8.270 nan 0.000 0.459 724 S N 0.316 116.015 115.700 -0.002 0.000 2.563 724 S HA 0.498 4.967 4.470 -0.001 0.000 0.284 724 S C 0.524 175.141 174.600 0.028 0.000 1.331 724 S CA 0.425 58.641 58.200 0.027 0.000 1.047 724 S CB 0.788 64.036 63.200 0.081 0.000 0.859 724 S HN 0.728 nan 8.310 nan 0.000 0.514 725 G N -0.263 108.554 108.800 0.029 0.000 2.782 725 G HA2 0.590 4.550 3.960 -0.001 0.000 0.304 725 G HA3 0.590 4.550 3.960 -0.001 0.000 0.304 725 G C 0.557 175.469 174.900 0.020 0.000 1.315 725 G CA -0.152 44.969 45.100 0.035 0.000 0.791 725 G HN 0.716 nan 8.290 nan 0.000 0.519 726 A N -1.200 121.613 122.820 -0.012 0.000 1.948 726 A HA -0.003 4.316 4.320 -0.001 0.000 0.220 726 A C 1.936 179.408 177.584 -0.186 0.000 1.177 726 A CA 2.288 54.252 52.037 -0.121 0.000 0.636 726 A CB -0.703 18.153 19.000 -0.239 0.000 0.815 726 A HN 0.623 nan 8.150 nan 0.000 0.449 727 Y N -0.936 119.295 120.300 -0.115 0.000 2.266 727 Y HA 0.339 4.888 4.550 -0.001 0.000 0.294 727 Y C 0.950 176.741 175.900 -0.181 0.000 1.127 727 Y CA 0.062 58.023 58.100 -0.232 0.000 1.140 727 Y CB -0.172 37.793 38.460 -0.825 0.000 1.071 727 Y HN 0.030 nan 8.280 nan 0.000 0.525 728 L N 0.585 121.766 121.223 -0.070 0.000 2.334 728 L HA 0.200 4.540 4.340 -0.001 0.000 0.277 728 L C -1.095 175.824 176.870 0.082 0.000 1.075 728 L CA -0.582 54.217 54.840 -0.068 0.000 0.804 728 L CB 0.942 42.910 42.059 -0.151 0.000 1.174 728 L HN 0.040 nan 8.230 nan 0.000 0.438 729 F N 4.809 124.701 119.950 -0.097 0.000 2.361 729 F HA 0.475 5.001 4.527 -0.001 0.000 0.364 729 F C -0.748 174.973 175.800 -0.132 0.000 1.117 729 F CA -1.200 56.704 58.000 -0.161 0.000 1.071 729 F CB 0.638 39.477 39.000 -0.268 0.000 1.188 729 F HN 0.200 nan 8.300 nan 0.000 0.464 730 L N 9.138 130.257 121.223 -0.173 0.000 2.556 730 L HA 0.339 4.678 4.340 -0.001 0.000 0.243 730 L C -2.349 174.328 176.870 -0.322 0.000 1.331 730 L CA -1.769 52.906 54.840 -0.274 0.000 0.927 730 L CB 1.021 43.010 42.059 -0.116 0.000 1.219 730 L HN 0.392 nan 8.230 nan 0.000 0.490 731 P HA 0.047 nan 4.420 nan 0.000 0.272 731 P C -0.468 176.740 177.300 -0.154 0.000 1.223 731 P CA -0.297 62.601 63.100 -0.337 0.000 0.784 731 P CB 0.562 31.949 31.700 -0.522 0.000 0.923 732 N N 0.957 119.638 118.700 -0.032 0.000 3.052 732 N HA 0.291 5.031 4.740 -0.001 0.000 0.302 732 N C 0.635 176.149 175.510 0.008 0.000 1.332 732 N CA -0.224 52.807 53.050 -0.031 0.000 1.129 732 N CB -0.755 37.721 38.487 -0.017 0.000 1.436 732 N HN 0.733 nan 8.380 nan 0.000 0.536 733 G N 0.567 109.371 108.800 0.007 0.000 2.525 733 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.685 733 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.685 733 G C -3.128 171.843 174.900 0.117 0.000 1.290 733 G CA -1.135 43.987 45.100 0.036 0.000 0.915 733 G HN 0.308 nan 8.290 nan 0.000 0.548 734 P HA 0.457 nan 4.420 nan 0.000 0.269 734 P C 0.511 177.760 177.300 -0.085 0.000 1.217 734 P CA 0.652 63.808 63.100 0.093 0.000 0.783 734 P CB 0.375 32.097 31.700 0.037 0.000 0.898 735 A N 2.007 124.574 122.820 -0.421 0.000 2.425 735 A HA 0.398 4.717 4.320 -0.001 0.000 0.242 735 A C 0.208 177.637 177.584 -0.259 0.000 1.077 735 A CA 0.220 51.860 52.037 -0.661 0.000 0.781 735 A CB -0.251 18.097 19.000 -1.087 0.000 1.020 735 A HN 0.483 nan 8.150 nan 0.000 0.494 736 S N 2.252 117.846 115.700 -0.177 0.000 2.549 736 S HA 0.609 5.078 4.470 -0.001 0.000 0.297 736 S C -2.706 171.862 174.600 -0.053 0.000 1.115 736 S CA -1.085 57.068 58.200 -0.078 0.000 1.059 736 S CB 1.246 64.424 63.200 -0.038 0.000 1.046 736 S HN 0.594 nan 8.310 nan 0.000 0.506 737 P HA 0.107 nan 4.420 nan 0.000 0.268 737 P C -0.709 176.606 177.300 0.025 0.000 1.205 737 P CA -0.334 62.771 63.100 0.010 0.000 0.771 737 P CB 0.233 31.948 31.700 0.026 0.000 0.858 738 V N 3.850 123.793 119.914 0.049 0.000 2.521 738 V HA -0.023 4.097 4.120 -0.001 0.000 0.286 738 V C 1.003 177.122 176.094 0.043 0.000 1.034 738 V CA 0.176 62.505 62.300 0.049 0.000 1.045 738 V CB -0.405 31.457 31.823 0.065 0.000 0.974 738 V HN 0.514 nan 8.190 nan 0.000 0.480 739 E N 4.701 124.920 120.200 0.032 0.000 2.299 739 E HA 0.137 4.487 4.350 -0.001 0.000 0.272 739 E C 0.388 177.004 176.600 0.027 0.000 1.043 739 E CA -0.161 56.258 56.400 0.031 0.000 0.895 739 E CB 0.828 30.544 29.700 0.027 0.000 1.011 739 E HN 0.560 nan 8.360 nan 0.000 0.432 740 L N 2.637 123.879 121.223 0.031 0.000 2.513 740 L HA 0.137 4.476 4.340 -0.001 0.000 0.222 740 L C 1.392 178.275 176.870 0.023 0.000 1.096 740 L CA 0.313 55.167 54.840 0.023 0.000 0.857 740 L CB -0.513 41.569 42.059 0.038 0.000 1.026 740 L HN 0.878 nan 8.230 nan 0.000 0.469 741 G N 1.121 109.938 108.800 0.027 0.000 2.596 741 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.295 741 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.295 741 G C -0.083 174.836 174.900 0.031 0.000 1.240 741 G CA 0.122 45.238 45.100 0.027 0.000 0.985 741 G HN 0.399 nan 8.290 nan 0.000 0.555 742 Q N 1.863 121.681 119.800 0.031 0.000 2.788 742 Q HA 0.484 4.824 4.340 -0.001 0.000 0.261 742 Q C -2.169 173.855 176.000 0.041 0.000 1.029 742 Q CA -1.172 54.652 55.803 0.035 0.000 0.848 742 Q CB 1.510 30.267 28.738 0.030 0.000 1.185 742 Q HN 0.666 nan 8.270 nan 0.000 0.482 743 P HA 0.084 nan 4.420 nan 0.000 0.272 743 P C -0.446 176.901 177.300 0.078 0.000 1.223 743 P CA -0.369 62.761 63.100 0.050 0.000 0.784 743 P CB 1.013 32.727 31.700 0.025 0.000 0.923 744 V N 2.608 122.598 119.914 0.127 0.000 2.508 744 V HA 0.123 4.242 4.120 -0.001 0.000 0.281 744 V C 0.554 176.778 176.094 0.216 0.000 1.041 744 V CA -0.188 62.209 62.300 0.161 0.000 1.016 744 V CB 1.148 33.092 31.823 0.201 0.000 0.984 744 V HN 0.269 nan 8.190 nan 0.000 0.478 745 V N 6.363 126.351 119.914 0.123 0.000 2.495 745 V HA 0.488 4.607 4.120 -0.001 0.000 0.298 745 V C -0.450 175.649 176.094 0.009 0.000 1.031 745 V CA -0.621 61.732 62.300 0.089 0.000 0.871 745 V CB 1.728 33.568 31.823 0.028 0.000 0.988 745 V HN 0.686 nan 8.190 nan 0.000 0.432 746 L N 6.641 127.865 121.223 0.002 0.000 2.325 746 L HA 0.749 5.088 4.340 -0.001 0.000 0.281 746 L C -0.705 176.043 176.870 -0.204 0.000 1.004 746 L CA -0.013 54.706 54.840 -0.200 0.000 0.823 746 L CB 1.801 43.638 42.059 -0.369 0.000 1.236 746 L HN 0.430 nan 8.230 nan 0.000 0.415 747 V N 4.081 123.867 119.914 -0.214 0.000 2.384 747 V HA 0.560 4.680 4.120 -0.001 0.000 0.287 747 V C 0.007 176.024 176.094 -0.127 0.000 1.020 747 V CA -0.369 61.829 62.300 -0.170 0.000 0.850 747 V CB 1.577 33.318 31.823 -0.137 0.000 0.987 747 V HN 0.847 nan 8.190 nan 0.000 0.436 748 T N 5.375 119.884 114.554 -0.075 0.000 2.786 748 T HA 0.422 4.772 4.350 -0.001 0.000 0.283 748 T C -0.417 174.307 174.700 0.041 0.000 0.992 748 T CA -0.557 61.555 62.100 0.020 0.000 0.954 748 T CB 1.096 70.011 68.868 0.078 0.000 0.934 748 T HN 0.660 nan 8.240 nan 0.000 0.440 749 K N 2.523 122.963 120.400 0.068 0.000 2.394 749 K HA 0.684 5.004 4.320 -0.001 0.000 0.260 749 K C -0.308 176.349 176.600 0.094 0.000 0.967 749 K CA -0.563 55.765 56.287 0.068 0.000 0.855 749 K CB 0.921 33.455 32.500 0.056 0.000 1.101 749 K HN 0.781 nan 8.250 nan 0.000 0.433 750 G N 2.169 111.022 108.800 0.088 0.000 2.658 750 G HA2 0.172 4.131 3.960 -0.001 0.000 0.292 750 G HA3 0.172 4.131 3.960 -0.001 0.000 0.292 750 G C -0.265 174.678 174.900 0.072 0.000 1.320 750 G CA -0.622 44.531 45.100 0.090 0.000 0.933 750 G HN 0.645 nan 8.290 nan 0.000 0.476 751 K N -0.496 119.942 120.400 0.063 0.000 2.155 751 K HA 0.150 4.470 4.320 -0.001 0.000 0.203 751 K C 1.646 178.280 176.600 0.057 0.000 1.052 751 K CA 0.909 57.229 56.287 0.056 0.000 0.948 751 K CB -0.141 32.389 32.500 0.049 0.000 0.728 751 K HN 0.424 nan 8.250 nan 0.000 0.448 752 L N -0.601 120.657 121.223 0.059 0.000 2.357 752 L HA 0.223 4.563 4.340 -0.001 0.000 0.211 752 L C 0.491 177.396 176.870 0.058 0.000 1.075 752 L CA 0.083 54.958 54.840 0.058 0.000 0.830 752 L CB 0.396 42.492 42.059 0.062 0.000 0.996 752 L HN 0.148 nan 8.230 nan 0.000 0.467 753 E N -0.252 119.987 120.200 0.065 0.000 2.311 753 E HA 0.376 4.725 4.350 -0.001 0.000 0.281 753 E C -1.469 175.175 176.600 0.073 0.000 0.905 753 E CA -0.179 56.261 56.400 0.066 0.000 0.778 753 E CB 2.020 31.759 29.700 0.063 0.000 1.240 753 E HN -0.113 nan 8.360 nan 0.000 0.410 754 S N 1.247 116.988 115.700 0.068 0.000 2.638 754 S HA 0.819 5.289 4.470 -0.001 0.000 0.302 754 S C -1.216 173.410 174.600 0.042 0.000 1.096 754 S CA -0.643 57.593 58.200 0.059 0.000 0.953 754 S CB 1.782 65.018 63.200 0.061 0.000 1.107 754 S HN 0.628 nan 8.310 nan 0.000 0.503 755 S N -0.324 115.376 115.700 -0.000 0.000 2.567 755 S HA 0.715 5.185 4.470 -0.001 0.000 0.270 755 S C -1.756 172.747 174.600 -0.160 0.000 1.152 755 S CA -0.753 57.419 58.200 -0.047 0.000 0.835 755 S CB 0.972 64.166 63.200 -0.010 0.000 1.115 755 S HN 0.459 nan 8.310 nan 0.000 0.459 756 V N 1.783 121.537 119.914 -0.267 0.000 2.531 756 V HA 0.747 4.866 4.120 -0.001 0.000 0.301 756 V C -0.528 175.424 176.094 -0.237 0.000 1.034 756 V CA -0.395 61.678 62.300 -0.377 0.000 0.865 756 V CB 1.630 32.922 31.823 -0.885 0.000 0.995 756 V HN 0.990 nan 8.190 nan 0.000 0.424 757 S N 3.253 118.868 115.700 -0.142 0.000 2.521 757 S HA 0.778 5.248 4.470 -0.001 0.000 0.295 757 S C -0.824 173.705 174.600 -0.119 0.000 1.098 757 S CA -0.616 57.507 58.200 -0.129 0.000 0.999 757 S CB 2.119 65.341 63.200 0.037 0.000 1.034 757 S HN 0.663 nan 8.310 nan 0.000 0.483 758 V N 2.111 121.833 119.914 -0.320 0.000 2.760 758 V HA 0.831 4.951 4.120 -0.001 0.000 0.309 758 V C -0.058 175.670 176.094 -0.610 0.000 1.077 758 V CA -0.424 61.708 62.300 -0.279 0.000 0.910 758 V CB 1.824 33.614 31.823 -0.056 0.000 1.008 758 V HN 0.992 nan 8.190 nan 0.000 0.424 759 G N 6.956 115.433 108.800 -0.540 0.000 2.546 759 G HA2 0.541 4.500 3.960 -0.001 0.000 0.320 759 G HA3 0.541 4.500 3.960 -0.001 0.000 0.320 759 G C -0.578 174.186 174.900 -0.227 0.000 0.984 759 G CA -0.364 44.451 45.100 -0.475 0.000 1.183 759 G HN 0.708 nan 8.290 nan 0.000 0.443 760 L N 2.650 123.709 121.223 -0.273 0.000 2.387 760 L HA 0.405 4.745 4.340 -0.001 0.000 0.266 760 L C -2.076 174.696 176.870 -0.164 0.000 1.059 760 L CA -2.370 52.342 54.840 -0.212 0.000 0.801 760 L CB 1.801 43.659 42.059 -0.335 0.000 1.223 760 L HN 0.196 nan 8.230 nan 0.000 0.456 761 P HA 0.086 nan 4.420 nan 0.000 0.266 761 P C 0.003 177.266 177.300 -0.063 0.000 1.215 761 P CA 0.454 63.533 63.100 -0.036 0.000 0.763 761 P CB 0.974 32.666 31.700 -0.013 0.000 0.806 762 S N 0.006 115.709 115.700 0.004 0.000 2.596 762 S HA -0.101 4.368 4.470 -0.001 0.000 0.260 762 S C 0.156 174.710 174.600 -0.077 0.000 1.282 762 S CA 1.100 59.293 58.200 -0.013 0.000 1.357 762 S CB -1.428 61.761 63.200 -0.019 0.000 1.674 762 S HN 0.381 nan 8.310 nan 0.000 0.641 763 V N 1.488 121.298 119.914 -0.174 0.000 2.655 763 V HA 0.454 4.574 4.120 -0.001 0.000 0.301 763 V C -0.249 175.650 176.094 -0.326 0.000 1.082 763 V CA -0.774 61.359 62.300 -0.278 0.000 0.899 763 V CB 2.059 33.538 31.823 -0.573 0.000 1.014 763 V HN 0.115 nan 8.190 nan 0.000 0.429 764 V N 4.173 123.907 119.914 -0.299 0.000 2.385 764 V HA 0.344 4.464 4.120 -0.001 0.000 0.269 764 V C -0.221 175.664 176.094 -0.348 0.000 1.043 764 V CA -0.332 61.673 62.300 -0.492 0.000 0.906 764 V CB 0.897 32.317 31.823 -0.672 0.000 0.995 764 V HN 0.939 nan 8.190 nan 0.000 0.467 765 H N 4.501 123.309 119.070 -0.437 0.000 2.504 765 H HA 0.571 5.126 4.556 -0.001 0.000 0.322 765 H C -0.458 174.748 175.328 -0.202 0.000 1.055 765 H CA -0.224 55.670 56.048 -0.257 0.000 1.231 765 H CB 1.186 30.812 29.762 -0.227 0.000 1.417 765 H HN 0.679 nan 8.280 nan 0.000 0.472 766 Q N 4.109 123.599 119.800 -0.518 0.000 2.337 766 Q HA 0.391 4.730 4.340 -0.001 0.000 0.270 766 Q C -1.235 174.561 176.000 -0.339 0.000 1.043 766 Q CA -0.937 54.647 55.803 -0.365 0.000 0.794 766 Q CB 1.593 30.225 28.738 -0.177 0.000 1.281 766 Q HN 0.752 nan 8.270 nan 0.000 0.446 767 T N 4.883 119.319 114.554 -0.197 0.000 2.770 767 T HA 0.531 4.881 4.350 -0.001 0.000 0.283 767 T C -0.322 174.410 174.700 0.053 0.000 0.988 767 T CA -0.310 61.801 62.100 0.019 0.000 0.957 767 T CB 0.286 69.336 68.868 0.303 0.000 0.930 767 T HN 0.451 nan 8.240 nan 0.000 0.443 768 I N 3.616 124.232 120.570 0.075 0.000 2.474 768 I HA 0.506 4.675 4.170 -0.001 0.000 0.294 768 I C -0.263 175.912 176.117 0.096 0.000 1.005 768 I CA -0.826 60.516 61.300 0.069 0.000 1.113 768 I CB 1.834 39.865 38.000 0.050 0.000 1.289 768 I HN 0.385 nan 8.210 nan 0.000 0.436 769 M N 5.723 125.379 119.600 0.092 0.000 2.253 769 M HA 0.480 4.960 4.480 -0.001 0.000 0.314 769 M C 0.203 176.547 176.300 0.072 0.000 1.019 769 M CA -0.343 55.014 55.300 0.095 0.000 0.932 769 M CB 2.273 34.945 32.600 0.119 0.000 1.606 769 M HN 0.486 nan 8.290 nan 0.000 0.430 770 R N 1.051 121.588 120.500 0.062 0.000 2.535 770 R HA 0.349 4.688 4.340 -0.001 0.000 0.323 770 R C 0.816 177.144 176.300 0.048 0.000 0.979 770 R CA 0.310 56.440 56.100 0.050 0.000 1.120 770 R CB 1.144 31.467 30.300 0.038 0.000 1.306 770 R HN 1.139 nan 8.270 nan 0.000 0.540 771 G N -0.338 108.493 108.800 0.051 0.000 2.229 771 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.189 771 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.189 771 G C 0.271 175.193 174.900 0.037 0.000 1.000 771 G CA -0.352 44.775 45.100 0.044 0.000 0.663 771 G HN 0.514 nan 8.290 nan 0.000 0.493 772 G N -0.024 108.799 108.800 0.039 0.000 3.264 772 G HA2 0.784 4.743 3.960 -0.001 0.000 0.168 772 G HA3 0.784 4.743 3.960 -0.001 0.000 0.168 772 G C 0.464 175.386 174.900 0.037 0.000 1.145 772 G CA 0.481 45.599 45.100 0.031 0.000 0.855 772 G HN 1.530 nan 8.290 nan 0.000 0.629 773 A N 1.678 124.518 122.820 0.034 0.000 2.546 773 A HA 0.528 4.847 4.320 -0.001 0.000 0.243 773 A C -1.757 175.866 177.584 0.066 0.000 1.063 773 A CA -0.491 51.572 52.037 0.042 0.000 0.757 773 A CB -0.434 18.589 19.000 0.038 0.000 0.991 773 A HN 0.369 nan 8.150 nan 0.000 0.503 774 P HA 0.127 nan 4.420 nan 0.000 0.272 774 P C -0.429 176.946 177.300 0.125 0.000 1.240 774 P CA -0.176 62.992 63.100 0.114 0.000 0.791 774 P CB 0.630 32.421 31.700 0.151 0.000 0.978 775 E N 1.020 121.292 120.200 0.120 0.000 2.179 775 E HA 0.398 4.747 4.350 -0.001 0.000 0.275 775 E C -0.854 175.829 176.600 0.139 0.000 0.945 775 E CA -0.730 55.746 56.400 0.126 0.000 0.792 775 E CB 0.638 30.388 29.700 0.083 0.000 1.125 775 E HN 0.195 nan 8.360 nan 0.000 0.397 776 I N 3.981 124.669 120.570 0.197 0.000 2.404 776 I HA 0.413 4.583 4.170 -0.001 0.000 0.293 776 I C -0.006 176.234 176.117 0.206 0.000 0.992 776 I CA -0.610 60.786 61.300 0.159 0.000 1.149 776 I CB 1.257 39.364 38.000 0.179 0.000 1.315 776 I HN 0.557 nan 8.210 nan 0.000 0.446 777 R N 4.541 125.088 120.500 0.079 0.000 2.534 777 R HA 0.481 4.820 4.340 -0.001 0.000 0.301 777 R C -0.915 175.433 176.300 0.081 0.000 0.961 777 R CA -0.832 55.328 56.100 0.100 0.000 0.871 777 R CB 1.957 32.275 30.300 0.029 0.000 1.170 777 R HN 0.459 nan 8.270 nan 0.000 0.446 778 N N 2.708 121.520 118.700 0.187 0.000 2.443 778 N HA 0.177 4.917 4.740 -0.001 0.000 0.269 778 N C -1.192 174.339 175.510 0.035 0.000 0.985 778 N CA -0.680 52.457 53.050 0.146 0.000 0.921 778 N CB 1.734 40.412 38.487 0.319 0.000 1.195 778 N HN 0.317 nan 8.380 nan 0.000 0.492 779 L N 3.858 125.047 121.223 -0.057 0.000 2.312 779 L HA 0.320 4.659 4.340 -0.001 0.000 0.287 779 L C -0.914 175.907 176.870 -0.082 0.000 1.091 779 L CA -0.364 54.427 54.840 -0.082 0.000 0.846 779 L CB 0.290 42.294 42.059 -0.092 0.000 1.219 779 L HN 0.210 nan 8.230 nan 0.000 0.439 780 V N 4.640 124.504 119.914 -0.084 0.000 2.364 780 V HA 0.354 4.473 4.120 -0.001 0.000 0.272 780 V C -0.389 175.676 176.094 -0.049 0.000 1.036 780 V CA -0.482 61.787 62.300 -0.052 0.000 0.880 780 V CB 1.255 33.072 31.823 -0.009 0.000 0.991 780 V HN 0.682 nan 8.190 nan 0.000 0.460 781 D N 4.066 124.441 120.400 -0.043 0.000 2.375 781 D HA 0.256 4.895 4.640 -0.001 0.000 0.259 781 D C 0.558 176.836 176.300 -0.036 0.000 1.235 781 D CA -0.408 53.559 54.000 -0.056 0.000 0.924 781 D CB 1.252 41.986 40.800 -0.111 0.000 1.143 781 D HN 0.452 nan 8.370 nan 0.000 0.529 782 I N 2.252 122.818 120.570 -0.006 0.000 2.916 782 I HA 0.058 4.227 4.170 -0.001 0.000 0.267 782 I C 1.358 177.476 176.117 0.002 0.000 1.263 782 I CA 1.210 62.519 61.300 0.014 0.000 1.471 782 I CB -0.210 37.815 38.000 0.042 0.000 1.089 782 I HN 0.626 nan 8.210 nan 0.000 0.468 783 G N 0.747 109.534 108.800 -0.022 0.000 2.556 783 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.283 783 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.283 783 G C 0.492 175.387 174.900 -0.008 0.000 1.177 783 G CA 0.373 45.454 45.100 -0.032 0.000 0.978 783 G HN 0.695 nan 8.290 nan 0.000 0.554 784 S N -0.145 115.555 115.700 -0.000 0.000 2.588 784 S HA 0.561 5.030 4.470 -0.001 0.000 0.245 784 S C 0.695 175.307 174.600 0.019 0.000 1.021 784 S CA 0.065 58.271 58.200 0.009 0.000 1.006 784 S CB 0.074 63.278 63.200 0.007 0.000 0.830 784 S HN 0.745 nan 8.310 nan 0.000 0.468 785 L N 3.032 124.270 121.223 0.024 0.000 2.574 785 L HA 0.232 4.572 4.340 -0.001 0.000 0.281 785 L C -0.246 176.647 176.870 0.039 0.000 1.212 785 L CA -0.222 54.638 54.840 0.033 0.000 1.082 785 L CB -0.620 41.462 42.059 0.038 0.000 1.362 785 L HN 0.185 nan 8.230 nan 0.000 0.451 786 D N 2.895 123.316 120.400 0.035 0.000 2.382 786 D HA -0.005 4.634 4.640 -0.001 0.000 0.240 786 D C 0.734 177.061 176.300 0.046 0.000 1.146 786 D CA 0.131 54.154 54.000 0.038 0.000 0.897 786 D CB 0.367 41.186 40.800 0.032 0.000 1.197 786 D HN 0.325 nan 8.370 nan 0.000 0.432 787 N N 0.303 119.033 118.700 0.050 0.000 2.725 787 N HA -0.175 4.564 4.740 -0.001 0.000 0.251 787 N C -0.906 174.650 175.510 0.077 0.000 1.031 787 N CA 0.861 53.946 53.050 0.059 0.000 0.720 787 N CB -1.178 37.337 38.487 0.048 0.000 0.930 787 N HN 0.285 nan 8.380 nan 0.000 0.543 788 T N 0.465 115.069 114.554 0.083 0.000 2.886 788 T HA 0.393 4.743 4.350 -0.001 0.000 0.292 788 T C -0.267 174.505 174.700 0.119 0.000 1.012 788 T CA -0.711 61.451 62.100 0.103 0.000 0.982 788 T CB 2.268 71.186 68.868 0.082 0.000 1.018 788 T HN 0.022 nan 8.240 nan 0.000 0.451 789 E N 2.540 122.840 120.200 0.167 0.000 2.165 789 E HA 0.435 4.785 4.350 -0.001 0.000 0.266 789 E C -0.681 176.041 176.600 0.204 0.000 0.889 789 E CA -0.621 55.875 56.400 0.160 0.000 0.756 789 E CB 2.223 31.994 29.700 0.117 0.000 1.131 789 E HN 0.496 nan 8.360 nan 0.000 0.411 790 I N 2.946 123.620 120.570 0.174 0.000 2.325 790 I HA 0.191 4.360 4.170 -0.001 0.000 0.291 790 I C -0.161 176.096 176.117 0.232 0.000 1.019 790 I CA -0.734 60.684 61.300 0.196 0.000 1.302 790 I CB 1.311 39.419 38.000 0.181 0.000 1.401 790 I HN 0.200 nan 8.210 nan 0.000 0.485 791 V N 8.253 128.304 119.914 0.230 0.000 2.581 791 V HA 0.475 4.594 4.120 -0.001 0.000 0.303 791 V C -0.324 175.801 176.094 0.051 0.000 1.041 791 V CA -0.713 61.705 62.300 0.197 0.000 0.907 791 V CB 1.927 33.928 31.823 0.296 0.000 0.994 791 V HN 0.757 nan 8.190 nan 0.000 0.442 792 M N 7.463 127.019 119.600 -0.073 0.000 2.129 792 M HA 0.551 5.031 4.480 -0.001 0.000 0.348 792 M C -0.508 175.639 176.300 -0.255 0.000 1.116 792 M CA -0.385 54.643 55.300 -0.454 0.000 1.022 792 M CB 0.519 32.807 32.600 -0.521 0.000 1.599 792 M HN 0.742 nan 8.290 nan 0.000 0.449 793 R N 4.718 125.055 120.500 -0.272 0.000 2.589 793 R HA 0.664 5.004 4.340 -0.001 0.000 0.293 793 R C -1.868 174.339 176.300 -0.156 0.000 0.963 793 R CA -0.617 55.393 56.100 -0.150 0.000 0.905 793 R CB 1.412 31.644 30.300 -0.113 0.000 1.144 793 R HN 0.812 nan 8.270 nan 0.000 0.459 794 L N 3.490 124.607 121.223 -0.178 0.000 2.296 794 L HA 0.397 4.737 4.340 -0.001 0.000 0.286 794 L C -0.436 176.329 176.870 -0.174 0.000 1.023 794 L CA -0.345 54.324 54.840 -0.285 0.000 0.812 794 L CB 1.836 43.680 42.059 -0.357 0.000 1.223 794 L HN 0.593 nan 8.230 nan 0.000 0.421 795 E N 2.268 122.382 120.200 -0.144 0.000 2.145 795 E HA 0.461 4.810 4.350 -0.001 0.000 0.270 795 E C -0.576 175.975 176.600 -0.082 0.000 0.906 795 E CA -0.451 55.917 56.400 -0.054 0.000 0.761 795 E CB 1.982 31.698 29.700 0.027 0.000 1.116 795 E HN 0.616 nan 8.360 nan 0.000 0.408 796 T N -1.056 113.465 114.554 -0.055 0.000 2.831 796 T HA 0.339 4.688 4.350 -0.001 0.000 0.287 796 T C 0.171 174.905 174.700 0.056 0.000 1.070 796 T CA -0.711 61.327 62.100 -0.104 0.000 1.010 796 T CB 1.063 69.881 68.868 -0.083 0.000 1.264 796 T HN 0.578 nan 8.240 nan 0.000 0.532 797 H N -0.668 118.393 119.070 -0.016 0.000 2.542 797 H HA 0.414 4.969 4.556 -0.001 0.000 0.283 797 H C 0.162 175.490 175.328 -0.000 0.000 1.059 797 H CA -0.630 55.414 56.048 -0.007 0.000 1.162 797 H CB 0.085 29.843 29.762 -0.006 0.000 1.539 797 H HN 0.333 nan 8.280 nan 0.000 0.543 798 I N 2.001 122.629 120.570 0.096 0.000 2.752 798 I HA -0.148 4.021 4.170 -0.001 0.000 0.289 798 I C 0.587 176.747 176.117 0.072 0.000 1.197 798 I CA 0.428 61.768 61.300 0.068 0.000 1.432 798 I CB 0.381 38.412 38.000 0.051 0.000 1.359 798 I HN 0.219 nan 8.210 nan 0.000 0.571 799 D N 4.827 125.266 120.400 0.064 0.000 2.713 799 D HA 0.039 4.678 4.640 -0.001 0.000 0.229 799 D C 1.182 177.523 176.300 0.067 0.000 1.136 799 D CA -0.064 53.969 54.000 0.057 0.000 1.010 799 D CB 0.337 41.164 40.800 0.045 0.000 1.084 799 D HN 0.545 nan 8.370 nan 0.000 0.495 800 S N 0.344 116.091 115.700 0.077 0.000 2.501 800 S HA 0.264 4.734 4.470 -0.001 0.000 0.220 800 S C 1.595 176.248 174.600 0.088 0.000 0.997 800 S CA 0.310 58.570 58.200 0.099 0.000 0.919 800 S CB -0.101 63.171 63.200 0.119 0.000 0.778 800 S HN 0.524 nan 8.310 nan 0.000 0.523 801 G N 3.217 112.058 108.800 0.068 0.000 2.574 801 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.301 801 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.301 801 G C 0.157 175.100 174.900 0.071 0.000 1.166 801 G CA 0.624 45.759 45.100 0.059 0.000 0.971 801 G HN 0.780 nan 8.290 nan 0.000 0.542 802 D N 0.188 120.634 120.400 0.077 0.000 2.440 802 D HA 0.349 4.989 4.640 -0.001 0.000 0.216 802 D C 0.696 177.078 176.300 0.137 0.000 1.150 802 D CA -0.247 53.816 54.000 0.105 0.000 0.832 802 D CB 0.250 41.098 40.800 0.080 0.000 0.992 802 D HN 0.475 nan 8.370 nan 0.000 0.502 803 I N 1.501 122.136 120.570 0.109 0.000 2.392 803 I HA 0.494 4.663 4.170 -0.001 0.000 0.295 803 I C -0.241 175.963 176.117 0.146 0.000 0.985 803 I CA -0.993 60.318 61.300 0.019 0.000 1.221 803 I CB 0.572 38.550 38.000 -0.037 0.000 1.366 803 I HN -0.039 nan 8.210 nan 0.000 0.467 804 F N 4.452 124.222 119.950 -0.300 0.000 2.745 804 F HA 0.690 5.216 4.527 -0.001 0.000 0.316 804 F C -2.022 173.418 175.800 -0.600 0.000 1.155 804 F CA -1.458 56.381 58.000 -0.267 0.000 0.937 804 F CB 1.195 40.112 39.000 -0.139 0.000 1.361 804 F HN 0.180 nan 8.300 nan 0.000 0.472 805 Y N 0.055 120.118 120.300 -0.395 0.000 2.425 805 Y HA 0.667 5.217 4.550 -0.001 0.000 0.344 805 Y C 0.022 175.749 175.900 -0.288 0.000 0.969 805 Y CA -0.686 57.048 58.100 -0.610 0.000 1.052 805 Y CB 2.431 40.086 38.460 -1.341 0.000 1.215 805 Y HN 0.898 nan 8.280 nan 0.000 0.451 806 T N -1.297 113.179 114.554 -0.129 0.000 2.906 806 T HA 0.499 4.848 4.350 -0.001 0.000 0.295 806 T C -1.023 173.488 174.700 -0.315 0.000 1.075 806 T CA -1.062 60.981 62.100 -0.094 0.000 1.005 806 T CB 2.038 70.832 68.868 -0.122 0.000 1.136 806 T HN 0.573 nan 8.240 nan 0.000 0.498 807 D N 1.004 121.061 120.400 -0.572 0.000 2.340 807 D HA 0.380 5.019 4.640 -0.001 0.000 0.251 807 D C -0.611 175.424 176.300 -0.442 0.000 1.080 807 D CA -0.833 52.650 54.000 -0.861 0.000 0.971 807 D CB 1.242 41.264 40.800 -1.297 0.000 1.137 807 D HN 0.558 nan 8.370 nan 0.000 0.475 808 L N 0.828 121.836 121.223 -0.359 0.000 2.316 808 L HA 0.220 4.560 4.340 -0.001 0.000 0.280 808 L C -0.147 176.605 176.870 -0.196 0.000 1.006 808 L CA -0.798 53.923 54.840 -0.197 0.000 0.836 808 L CB 0.507 42.515 42.059 -0.086 0.000 1.221 808 L HN 0.452 nan 8.230 nan 0.000 0.418 809 N N 2.046 120.635 118.700 -0.185 0.000 2.714 809 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 809 N C 0.950 176.246 175.510 -0.356 0.000 1.117 809 N CA 0.915 53.853 53.050 -0.187 0.000 0.719 809 N CB -1.088 37.370 38.487 -0.049 0.000 1.081 809 N HN 1.080 nan 8.380 nan 0.000 0.557 810 G N -1.571 107.019 108.800 -0.350 0.000 2.168 810 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.257 810 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.257 810 G C 0.588 175.468 174.900 -0.033 0.000 0.997 810 G CA 0.666 45.581 45.100 -0.309 0.000 0.708 810 G HN 0.505 nan 8.290 nan 0.000 0.520 811 L N -0.625 120.521 121.223 -0.129 0.000 2.547 811 L HA 0.502 4.842 4.340 -0.001 0.000 0.218 811 L C 0.935 177.698 176.870 -0.180 0.000 1.048 811 L CA 1.875 56.556 54.840 -0.265 0.000 0.859 811 L CB 0.176 41.916 42.059 -0.532 0.000 1.128 811 L HN 0.694 nan 8.230 nan 0.000 0.483 812 Q N -1.745 117.957 119.800 -0.164 0.000 2.522 812 Q HA 0.358 4.697 4.340 -0.001 0.000 0.285 812 Q C -1.699 174.208 176.000 -0.155 0.000 0.982 812 Q CA -0.742 55.034 55.803 -0.046 0.000 0.805 812 Q CB 1.140 29.903 28.738 0.043 0.000 1.457 812 Q HN -0.041 nan 8.270 nan 0.000 0.394 813 F N 1.232 121.150 119.950 -0.054 0.000 2.458 813 F HA 0.614 5.140 4.527 -0.001 0.000 0.336 813 F C -0.221 175.550 175.800 -0.048 0.000 1.114 813 F CA -0.830 57.149 58.000 -0.035 0.000 0.987 813 F CB 1.733 40.758 39.000 0.041 0.000 1.130 813 F HN 0.529 nan 8.300 nan 0.000 0.458 814 I N 3.698 124.279 120.570 0.019 0.000 2.530 814 I HA 0.340 4.509 4.170 -0.001 0.000 0.297 814 I C -0.558 175.416 176.117 -0.237 0.000 1.011 814 I CA -0.923 60.334 61.300 -0.072 0.000 1.107 814 I CB 1.376 39.283 38.000 -0.155 0.000 1.285 814 I HN 0.503 nan 8.210 nan 0.000 0.436 815 K N 6.691 126.904 120.400 -0.312 0.000 2.379 815 K HA 0.260 4.580 4.320 -0.001 0.000 0.284 815 K C -0.839 175.309 176.600 -0.753 0.000 1.044 815 K CA -0.367 55.463 56.287 -0.762 0.000 0.974 815 K CB 0.506 32.709 32.500 -0.494 0.000 0.962 815 K HN 0.487 nan 8.250 nan 0.000 0.474 816 R N 3.240 123.109 120.500 -1.051 0.000 2.664 816 R HA 0.351 4.690 4.340 -0.001 0.000 0.286 816 R C -0.492 175.313 176.300 -0.824 0.000 0.967 816 R CA -0.786 54.638 56.100 -1.128 0.000 0.933 816 R CB 1.508 30.585 30.300 -2.038 0.000 1.146 816 R HN 0.662 nan 8.270 nan 0.000 0.468 817 R N 1.543 121.768 120.500 -0.457 0.000 2.439 817 R HA 0.282 4.621 4.340 -0.001 0.000 0.310 817 R C -0.462 175.878 176.300 0.067 0.000 0.955 817 R CA -0.657 55.352 56.100 -0.151 0.000 0.853 817 R CB 1.439 31.693 30.300 -0.076 0.000 1.171 817 R HN 0.534 nan 8.270 nan 0.000 0.449 818 R N 4.960 125.607 120.500 0.245 0.000 2.522 818 R HA 0.098 4.437 4.340 -0.001 0.000 0.284 818 R C -0.950 175.438 176.300 0.147 0.000 1.032 818 R CA 0.268 56.548 56.100 0.299 0.000 1.049 818 R CB 0.383 30.846 30.300 0.272 0.000 0.956 818 R HN 0.546 nan 8.270 nan 0.000 0.422 819 L N 5.127 126.415 121.223 0.109 0.000 2.316 819 L HA 0.217 4.556 4.340 -0.001 0.000 0.280 819 L C 0.174 177.041 176.870 -0.006 0.000 1.006 819 L CA -0.670 54.190 54.840 0.033 0.000 0.836 819 L CB 1.946 43.993 42.059 -0.020 0.000 1.221 819 L HN 0.659 nan 8.230 nan 0.000 0.418 820 D N 1.650 122.054 120.400 0.006 0.000 2.348 820 D HA -0.113 4.527 4.640 -0.001 0.000 0.216 820 D C 1.723 178.009 176.300 -0.023 0.000 0.970 820 D CA 0.742 54.740 54.000 -0.003 0.000 0.889 820 D CB 0.369 41.176 40.800 0.012 0.000 0.912 820 D HN 0.559 nan 8.370 nan 0.000 0.524 821 K N 0.275 120.654 120.400 -0.035 0.000 2.439 821 K HA 0.000 4.320 4.320 -0.001 0.000 0.197 821 K C 0.692 177.235 176.600 -0.096 0.000 1.041 821 K CA 0.384 56.647 56.287 -0.040 0.000 0.970 821 K CB 0.295 32.789 32.500 -0.011 0.000 0.773 821 K HN 0.103 nan 8.250 nan 0.000 0.479 822 L N 2.356 123.481 121.223 -0.163 0.000 2.334 822 L HA 0.455 4.795 4.340 -0.001 0.000 0.272 822 L C -2.225 174.541 176.870 -0.173 0.000 1.020 822 L CA -2.928 51.773 54.840 -0.231 0.000 0.812 822 L CB 1.335 43.154 42.059 -0.399 0.000 1.264 822 L HN -0.042 nan 8.230 nan 0.000 0.439 823 P HA 0.021 nan 4.420 nan 0.000 0.272 823 P C 0.828 178.005 177.300 -0.205 0.000 1.240 823 P CA -0.363 62.644 63.100 -0.155 0.000 0.791 823 P CB 1.204 32.837 31.700 -0.113 0.000 0.978 824 L N 0.926 122.058 121.223 -0.151 0.000 2.021 824 L HA -0.271 4.068 4.340 -0.001 0.000 0.215 824 L C 2.465 179.255 176.870 -0.132 0.000 1.074 824 L CA 1.843 56.621 54.840 -0.104 0.000 0.760 824 L CB -0.611 41.380 42.059 -0.113 0.000 0.889 824 L HN 0.425 nan 8.230 nan 0.000 0.433 825 Q N -0.477 119.136 119.800 -0.313 0.000 2.364 825 Q HA -0.136 4.203 4.340 -0.001 0.000 0.207 825 Q C 1.859 177.765 176.000 -0.156 0.000 0.970 825 Q CA 1.352 57.006 55.803 -0.248 0.000 0.888 825 Q CB -0.430 28.084 28.738 -0.372 0.000 0.951 825 Q HN 0.597 nan 8.270 nan 0.000 0.469 826 A N 1.566 124.079 122.820 -0.512 0.000 2.067 826 A HA -0.040 4.279 4.320 -0.001 0.000 0.217 826 A C 1.668 179.065 177.584 -0.311 0.000 1.156 826 A CA 0.736 52.309 52.037 -0.774 0.000 0.683 826 A CB -0.189 17.973 19.000 -1.396 0.000 0.808 826 A HN 0.332 nan 8.150 nan 0.000 0.455 827 N N -1.114 117.518 118.700 -0.113 0.000 2.398 827 N HA 0.038 4.777 4.740 -0.001 0.000 0.188 827 N C -0.800 174.810 175.510 0.166 0.000 1.122 827 N CA 0.216 53.319 53.050 0.090 0.000 0.866 827 N CB 0.012 38.600 38.487 0.169 0.000 0.970 827 N HN 0.457 nan 8.380 nan 0.000 0.462 828 Y N 0.355 120.623 120.300 -0.053 0.000 2.319 828 Y HA 0.157 4.706 4.550 -0.001 0.000 0.328 828 Y C -0.132 175.720 175.900 -0.080 0.000 1.133 828 Y CA -0.012 58.134 58.100 0.077 0.000 1.265 828 Y CB 0.307 38.883 38.460 0.194 0.000 1.218 828 Y HN -0.062 nan 8.280 nan 0.000 0.508 829 Y N 3.364 123.810 120.300 0.242 0.000 2.576 829 Y HA 0.446 4.995 4.550 -0.001 0.000 0.346 829 Y C -2.270 173.334 175.900 -0.493 0.000 1.018 829 Y CA -2.983 55.112 58.100 -0.008 0.000 1.050 829 Y CB 1.442 39.890 38.460 -0.020 0.000 1.280 829 Y HN 0.449 nan 8.280 nan 0.000 0.474 830 P HA 0.090 nan 4.420 nan 0.000 0.268 830 P C -0.598 176.461 177.300 -0.401 0.000 1.204 830 P CA 0.294 62.798 63.100 -0.994 0.000 0.768 830 P CB 0.487 31.527 31.700 -1.098 0.000 0.842 831 I N 5.229 125.646 120.570 -0.254 0.000 2.692 831 I HA 0.162 4.331 4.170 -0.001 0.000 0.285 831 I C -1.607 174.438 176.117 -0.120 0.000 1.191 831 I CA -2.489 58.732 61.300 -0.132 0.000 1.128 831 I CB 0.526 38.508 38.000 -0.030 0.000 1.585 831 I HN 0.214 nan 8.210 nan 0.000 0.558 832 P HA -0.085 nan 4.420 nan 0.000 0.220 832 P C 1.045 178.313 177.300 -0.055 0.000 1.148 832 P CA 1.277 64.304 63.100 -0.123 0.000 0.803 832 P CB 0.550 32.149 31.700 -0.169 0.000 0.782 833 S N -3.643 112.029 115.700 -0.047 0.000 2.551 833 S HA 0.429 4.898 4.470 -0.001 0.000 0.276 833 S C 0.502 175.189 174.600 0.144 0.000 1.051 833 S CA 0.287 58.518 58.200 0.051 0.000 1.377 833 S CB 0.223 63.477 63.200 0.089 0.000 1.208 833 S HN 0.319 nan 8.310 nan 0.000 0.656 834 G N 1.739 110.628 108.800 0.147 0.000 2.579 834 G HA2 0.570 4.530 3.960 -0.001 0.000 0.292 834 G HA3 0.570 4.530 3.960 -0.001 0.000 0.292 834 G C -1.346 173.803 174.900 0.415 0.000 1.484 834 G CA -0.506 44.814 45.100 0.367 0.000 0.813 834 G HN 0.825 nan 8.290 nan 0.000 0.515 835 M N -0.218 119.639 119.600 0.429 0.000 2.569 835 M HA 0.912 5.391 4.480 -0.001 0.000 0.279 835 M C -1.728 174.813 176.300 0.401 0.000 1.253 835 M CA -1.054 54.467 55.300 0.367 0.000 0.867 835 M CB 2.610 35.334 32.600 0.208 0.000 1.727 835 M HN 1.078 nan 8.290 nan 0.000 0.467 836 F N 0.897 121.002 119.950 0.259 0.000 2.668 836 F HA 0.888 5.414 4.527 -0.001 0.000 0.309 836 F C -1.756 174.185 175.800 0.236 0.000 1.117 836 F CA -1.201 56.890 58.000 0.152 0.000 0.951 836 F CB 1.116 40.120 39.000 0.005 0.000 1.323 836 F HN 0.774 nan 8.300 nan 0.000 0.451 837 I N 0.038 120.845 120.570 0.395 0.000 2.740 837 I HA 0.881 5.051 4.170 -0.001 0.000 0.303 837 I C -1.316 175.000 176.117 0.332 0.000 1.044 837 I CA -0.857 60.642 61.300 0.332 0.000 1.064 837 I CB 2.350 40.460 38.000 0.183 0.000 1.249 837 I HN 0.944 nan 8.210 nan 0.000 0.433 838 E N 2.160 122.538 120.200 0.295 0.000 2.412 838 E HA 0.527 4.877 4.350 -0.001 0.000 0.279 838 E C -2.001 174.686 176.600 0.145 0.000 0.984 838 E CA -0.829 55.683 56.400 0.187 0.000 0.788 838 E CB 2.244 32.042 29.700 0.165 0.000 1.277 838 E HN 0.740 nan 8.360 nan 0.000 0.455 839 D N 0.774 121.228 120.400 0.089 0.000 2.726 839 D HA 0.443 5.083 4.640 -0.001 0.000 0.241 839 D C 0.893 177.224 176.300 0.052 0.000 1.150 839 D CA -0.157 53.888 54.000 0.074 0.000 1.089 839 D CB -0.134 40.702 40.800 0.060 0.000 1.260 839 D HN 0.439 nan 8.370 nan 0.000 0.637 840 A N -0.859 121.984 122.820 0.039 0.000 2.015 840 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 840 A C 1.513 179.103 177.584 0.009 0.000 1.163 840 A CA 1.331 53.383 52.037 0.025 0.000 0.646 840 A CB -0.690 18.323 19.000 0.022 0.000 0.806 840 A HN 0.490 nan 8.150 nan 0.000 0.448 841 N N -1.597 117.107 118.700 0.007 0.000 2.460 841 N HA 0.064 4.804 4.740 -0.001 0.000 0.193 841 N C -0.401 175.099 175.510 -0.016 0.000 1.080 841 N CA 0.731 53.777 53.050 -0.006 0.000 0.869 841 N CB 0.584 39.069 38.487 -0.003 0.000 1.201 841 N HN 0.269 nan 8.380 nan 0.000 0.457 842 T N 0.752 115.302 114.554 -0.007 0.000 2.861 842 T HA 0.444 4.793 4.350 -0.001 0.000 0.287 842 T C -0.546 174.148 174.700 -0.009 0.000 1.003 842 T CA -0.622 61.469 62.100 -0.016 0.000 0.977 842 T CB 2.785 71.648 68.868 -0.008 0.000 0.996 842 T HN -0.036 nan 8.240 nan 0.000 0.448 843 R N 2.114 122.591 120.500 -0.038 0.000 2.686 843 R HA 0.734 5.074 4.340 -0.001 0.000 0.286 843 R C -1.910 174.369 176.300 -0.034 0.000 0.969 843 R CA -0.909 55.171 56.100 -0.034 0.000 0.898 843 R CB 1.269 31.483 30.300 -0.143 0.000 1.183 843 R HN 0.442 nan 8.270 nan 0.000 0.456 844 L N 2.586 123.820 121.223 0.020 0.000 2.349 844 L HA 0.485 4.824 4.340 -0.001 0.000 0.278 844 L C -1.296 175.619 176.870 0.075 0.000 0.996 844 L CA 0.074 54.918 54.840 0.008 0.000 0.825 844 L CB 2.243 44.294 42.059 -0.014 0.000 1.243 844 L HN 0.631 nan 8.230 nan 0.000 0.412 845 T N 5.676 120.253 114.554 0.039 0.000 2.797 845 T HA 0.570 4.920 4.350 -0.001 0.000 0.279 845 T C -1.006 173.764 174.700 0.116 0.000 0.991 845 T CA -0.261 61.904 62.100 0.108 0.000 0.979 845 T CB 1.369 70.232 68.868 -0.008 0.000 0.943 845 T HN 0.466 nan 8.240 nan 0.000 0.444 846 L N 5.115 126.443 121.223 0.176 0.000 2.298 846 L HA 0.543 4.882 4.340 -0.001 0.000 0.284 846 L C -1.326 175.696 176.870 0.253 0.000 1.013 846 L CA -0.709 54.244 54.840 0.189 0.000 0.824 846 L CB 0.553 42.703 42.059 0.151 0.000 1.221 846 L HN 0.396 nan 8.230 nan 0.000 0.418 847 L N 3.873 125.247 121.223 0.251 0.000 2.343 847 L HA 0.638 4.977 4.340 -0.001 0.000 0.275 847 L C 0.568 177.589 176.870 0.252 0.000 1.056 847 L CA -0.227 54.758 54.840 0.242 0.000 0.804 847 L CB 1.425 43.593 42.059 0.181 0.000 1.203 847 L HN 0.780 nan 8.230 nan 0.000 0.440 848 T N -2.292 112.361 114.554 0.164 0.000 2.912 848 T HA 0.619 4.968 4.350 -0.001 0.000 0.288 848 T C 0.692 175.353 174.700 -0.067 0.000 1.030 848 T CA -0.289 61.813 62.100 0.005 0.000 1.020 848 T CB 1.918 70.793 68.868 0.013 0.000 1.056 848 T HN 0.673 nan 8.240 nan 0.000 0.480 849 G N 1.101 109.787 108.800 -0.191 0.000 3.284 849 G HA2 0.416 4.376 3.960 -0.001 0.000 0.236 849 G HA3 0.416 4.376 3.960 -0.001 0.000 0.236 849 G C 0.161 175.003 174.900 -0.097 0.000 1.158 849 G CA -0.328 44.702 45.100 -0.117 0.000 0.774 849 G HN 0.960 nan 8.290 nan 0.000 0.545 850 Q N -0.231 119.507 119.800 -0.104 0.000 2.479 850 Q HA 0.289 4.629 4.340 -0.001 0.000 0.276 850 Q C -3.537 172.430 176.000 -0.055 0.000 0.989 850 Q CA -2.211 53.556 55.803 -0.060 0.000 0.864 850 Q CB 1.792 30.513 28.738 -0.028 0.000 1.444 850 Q HN -0.008 nan 8.270 nan 0.000 0.388 851 P HA 0.441 nan 4.420 nan 0.000 0.276 851 P C -0.676 176.611 177.300 -0.021 0.000 1.235 851 P CA -0.108 62.975 63.100 -0.027 0.000 0.772 851 P CB 0.941 32.632 31.700 -0.015 0.000 0.871 852 L N 1.692 122.898 121.223 -0.029 0.000 2.491 852 L HA 0.667 5.007 4.340 -0.001 0.000 0.254 852 L C 0.720 177.607 176.870 0.028 0.000 1.048 852 L CA -1.137 53.707 54.840 0.007 0.000 0.855 852 L CB 2.160 44.204 42.059 -0.025 0.000 1.466 852 L HN 0.344 nan 8.230 nan 0.000 0.409 853 G N -0.984 107.889 108.800 0.122 0.000 2.425 853 G HA2 0.685 4.645 3.960 -0.001 0.000 0.302 853 G HA3 0.685 4.645 3.960 -0.001 0.000 0.302 853 G C -0.496 174.430 174.900 0.043 0.000 1.159 853 G CA 0.143 45.367 45.100 0.207 0.000 0.865 853 G HN 0.872 nan 8.290 nan 0.000 0.515 854 G N -1.476 107.169 108.800 -0.258 0.000 2.548 854 G HA2 0.691 4.650 3.960 -0.001 0.000 0.301 854 G HA3 0.691 4.650 3.960 -0.001 0.000 0.301 854 G C -1.127 173.309 174.900 -0.773 0.000 1.349 854 G CA 0.486 45.221 45.100 -0.610 0.000 0.792 854 G HN 1.328 nan 8.290 nan 0.000 0.481 855 S N -2.076 113.246 115.700 -0.630 0.000 2.683 855 S HA 0.697 5.167 4.470 -0.001 0.000 0.269 855 S C -1.660 172.459 174.600 -0.803 0.000 1.165 855 S CA 0.394 58.209 58.200 -0.642 0.000 0.840 855 S CB 1.184 64.078 63.200 -0.510 0.000 1.169 855 S HN 1.561 nan 8.310 nan 0.000 0.490 856 S N 1.570 116.512 115.700 -1.263 0.000 2.664 856 S HA 0.479 4.948 4.470 -0.001 0.000 0.262 856 S C 0.109 174.445 174.600 -0.440 0.000 1.229 856 S CA -0.609 57.123 58.200 -0.781 0.000 1.151 856 S CB 0.010 62.688 63.200 -0.871 0.000 1.054 856 S HN 0.568 nan 8.310 nan 0.000 0.483 857 L N 2.992 124.101 121.223 -0.190 0.000 2.558 857 L HA 0.487 4.826 4.340 -0.001 0.000 0.225 857 L C 0.858 177.718 176.870 -0.017 0.000 1.128 857 L CA 0.305 55.118 54.840 -0.045 0.000 0.868 857 L CB 0.019 42.111 42.059 0.056 0.000 1.006 857 L HN 0.690 nan 8.230 nan 0.000 0.454 858 A N -1.219 121.578 122.820 -0.038 0.000 2.604 858 A HA 0.445 4.764 4.320 -0.001 0.000 0.295 858 A C -0.456 177.125 177.584 -0.005 0.000 1.067 858 A CA -0.446 51.588 52.037 -0.005 0.000 0.683 858 A CB 1.210 20.214 19.000 0.007 0.000 1.281 858 A HN -0.137 nan 8.150 nan 0.000 0.407 859 S N -0.048 115.662 115.700 0.018 0.000 2.563 859 S HA 0.403 4.872 4.470 -0.001 0.000 0.294 859 S C 1.502 176.121 174.600 0.031 0.000 1.279 859 S CA 1.884 60.102 58.200 0.031 0.000 1.069 859 S CB -0.068 63.153 63.200 0.036 0.000 0.828 859 S HN 2.663 nan 8.310 nan 0.000 0.497 860 G N 3.460 112.282 108.800 0.037 0.000 2.176 860 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.253 860 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.253 860 G C -0.180 174.721 174.900 0.003 0.000 0.979 860 G CA 0.375 45.498 45.100 0.040 0.000 0.641 860 G HN 0.715 nan 8.290 nan 0.000 0.530 861 E N -0.412 119.774 120.200 -0.024 0.000 2.212 861 E HA 0.774 5.123 4.350 -0.001 0.000 0.270 861 E C -0.230 176.308 176.600 -0.104 0.000 0.956 861 E CA -0.716 55.646 56.400 -0.063 0.000 0.825 861 E CB 1.828 31.490 29.700 -0.063 0.000 1.167 861 E HN 0.240 nan 8.360 nan 0.000 0.400 862 L N 1.740 122.896 121.223 -0.113 0.000 2.401 862 L HA 0.464 4.804 4.340 -0.001 0.000 0.266 862 L C -0.615 176.182 176.870 -0.122 0.000 0.991 862 L CA -0.621 54.141 54.840 -0.130 0.000 0.818 862 L CB 2.024 44.038 42.059 -0.076 0.000 1.321 862 L HN 0.674 nan 8.230 nan 0.000 0.413 863 E N 3.094 123.211 120.200 -0.138 0.000 2.390 863 E HA 0.721 5.071 4.350 -0.001 0.000 0.277 863 E C -1.552 174.998 176.600 -0.083 0.000 0.939 863 E CA -0.853 55.499 56.400 -0.080 0.000 0.769 863 E CB 3.402 33.100 29.700 -0.002 0.000 1.251 863 E HN 0.534 nan 8.360 nan 0.000 0.450 864 I N 2.109 122.668 120.570 -0.017 0.000 2.610 864 I HA 0.311 4.481 4.170 -0.001 0.000 0.289 864 I C -1.485 174.691 176.117 0.099 0.000 1.163 864 I CA -1.082 60.229 61.300 0.019 0.000 1.044 864 I CB 1.953 39.967 38.000 0.024 0.000 1.251 864 I HN 0.782 nan 8.210 nan 0.000 0.424 865 M N 6.279 125.975 119.600 0.160 0.000 2.238 865 M HA 0.238 4.717 4.480 -0.001 0.000 0.347 865 M C 0.562 176.954 176.300 0.153 0.000 1.173 865 M CA 0.631 56.031 55.300 0.167 0.000 1.147 865 M CB 0.943 33.612 32.600 0.114 0.000 1.547 865 M HN 0.584 nan 8.290 nan 0.000 0.455 866 Q N 1.342 121.268 119.800 0.210 0.000 2.304 866 Q HA 0.258 4.597 4.340 -0.001 0.000 0.204 866 Q C -0.291 175.916 176.000 0.345 0.000 0.936 866 Q CA 0.771 56.766 55.803 0.319 0.000 0.878 866 Q CB 0.429 29.396 28.738 0.381 0.000 0.983 866 Q HN 0.766 nan 8.270 nan 0.000 0.516 867 D N -0.860 119.675 120.400 0.225 0.000 2.694 867 D HA 0.276 4.916 4.640 -0.001 0.000 0.260 867 D C -1.445 174.927 176.300 0.120 0.000 1.250 867 D CA -0.476 53.633 54.000 0.182 0.000 0.763 867 D CB 1.413 42.314 40.800 0.167 0.000 1.311 867 D HN 0.036 nan 8.370 nan 0.000 0.420 868 R N 0.868 121.427 120.500 0.097 0.000 2.548 868 R HA 0.675 5.015 4.340 -0.001 0.000 0.280 868 R C -0.993 175.350 176.300 0.073 0.000 1.061 868 R CA -1.064 55.077 56.100 0.070 0.000 0.915 868 R CB 2.173 32.486 30.300 0.022 0.000 1.210 868 R HN 0.315 nan 8.270 nan 0.000 0.442 869 R N 3.898 124.440 120.500 0.069 0.000 2.451 869 R HA 0.470 4.810 4.340 -0.001 0.000 0.307 869 R C -1.483 174.851 176.300 0.057 0.000 0.965 869 R CA -0.585 55.552 56.100 0.062 0.000 0.865 869 R CB 1.299 31.632 30.300 0.056 0.000 1.174 869 R HN 0.723 nan 8.270 nan 0.000 0.455 870 L N 4.079 125.334 121.223 0.052 0.000 2.406 870 L HA 0.502 4.841 4.340 -0.001 0.000 0.272 870 L C 0.762 177.657 176.870 0.041 0.000 0.980 870 L CA -0.564 54.305 54.840 0.049 0.000 0.831 870 L CB 2.118 44.206 42.059 0.049 0.000 1.253 870 L HN 0.817 nan 8.230 nan 0.000 0.406 871 A N 1.719 124.561 122.820 0.036 0.000 2.016 871 A HA 0.104 4.423 4.320 -0.001 0.000 0.217 871 A C 1.038 178.638 177.584 0.028 0.000 1.162 871 A CA 0.772 52.827 52.037 0.030 0.000 0.662 871 A CB 0.026 19.042 19.000 0.026 0.000 0.812 871 A HN 0.602 nan 8.150 nan 0.000 0.450 872 S N -0.122 115.594 115.700 0.028 0.000 2.617 872 S HA 0.404 4.874 4.470 -0.001 0.000 0.283 872 S C -0.508 174.110 174.600 0.030 0.000 1.189 872 S CA -0.617 57.598 58.200 0.025 0.000 1.036 872 S CB 1.375 64.586 63.200 0.018 0.000 1.014 872 S HN 0.520 nan 8.310 nan 0.000 0.522 873 D N 0.179 120.597 120.400 0.030 0.000 2.313 873 D HA 0.221 4.861 4.640 -0.001 0.000 0.247 873 D C -0.132 176.187 176.300 0.032 0.000 1.094 873 D CA -0.439 53.587 54.000 0.043 0.000 0.925 873 D CB 0.703 41.529 40.800 0.043 0.000 1.188 873 D HN 0.488 nan 8.370 nan 0.000 0.430 874 D N 1.551 121.976 120.400 0.042 0.000 2.559 874 D HA 0.077 4.717 4.640 -0.001 0.000 0.234 874 D C -0.414 175.862 176.300 -0.040 0.000 1.226 874 D CA -0.311 53.685 54.000 -0.006 0.000 0.830 874 D CB -0.450 40.333 40.800 -0.027 0.000 1.028 874 D HN 0.674 nan 8.370 nan 0.000 0.492 875 E N -0.220 119.980 120.200 -0.000 0.000 2.513 875 E HA -0.218 4.132 4.350 -0.001 0.000 0.257 875 E C 0.419 176.999 176.600 -0.033 0.000 1.098 875 E CA 0.144 56.540 56.400 -0.006 0.000 0.752 875 E CB -0.602 29.089 29.700 -0.016 0.000 1.324 875 E HN 0.189 nan 8.360 nan 0.000 0.403 876 R N -0.825 119.645 120.500 -0.050 0.000 2.437 876 R HA 0.190 4.529 4.340 -0.001 0.000 0.257 876 R C 1.475 177.855 176.300 0.135 0.000 0.927 876 R CA 0.870 56.883 56.100 -0.146 0.000 1.078 876 R CB 1.187 31.030 30.300 -0.761 0.000 1.161 876 R HN 0.416 nan 8.270 nan 0.000 0.529 877 G N 0.612 109.562 108.800 0.250 0.000 2.229 877 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.189 877 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.189 877 G C 0.700 175.750 174.900 0.251 0.000 1.000 877 G CA 0.155 45.479 45.100 0.373 0.000 0.663 877 G HN 0.241 nan 8.290 nan 0.000 0.493 878 L N 1.630 123.078 121.223 0.375 0.000 2.141 878 L HA 0.446 4.785 4.340 -0.001 0.000 0.209 878 L C 2.168 179.032 176.870 -0.010 0.000 1.094 878 L CA 2.685 57.617 54.840 0.154 0.000 0.763 878 L CB -0.596 41.689 42.059 0.377 0.000 0.908 878 L HN 1.658 nan 8.230 nan 0.000 0.437 879 G N -0.363 108.466 108.800 0.048 0.000 2.198 879 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 879 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 879 G C 0.065 174.972 174.900 0.012 0.000 1.025 879 G CA 0.659 45.766 45.100 0.012 0.000 0.769 879 G HN 0.789 nan 8.290 nan 0.000 0.507 880 Q N -2.036 117.785 119.800 0.035 0.000 2.633 880 Q HA 0.682 5.022 4.340 -0.001 0.000 0.289 880 Q C 0.389 176.417 176.000 0.046 0.000 0.940 880 Q CA -0.649 55.173 55.803 0.032 0.000 0.785 880 Q CB 0.507 29.261 28.738 0.026 0.000 1.467 880 Q HN 0.921 nan 8.270 nan 0.000 0.401 881 G N 0.034 108.857 108.800 0.039 0.000 2.509 881 G HA2 0.500 4.459 3.960 -0.001 0.000 0.269 881 G HA3 0.500 4.459 3.960 -0.001 0.000 0.269 881 G C -0.909 174.018 174.900 0.045 0.000 1.416 881 G CA -0.656 44.468 45.100 0.041 0.000 1.052 881 G HN 0.396 nan 8.290 nan 0.000 0.542 882 V N 0.886 120.828 119.914 0.047 0.000 2.284 882 V HA 0.333 4.452 4.120 -0.001 0.000 0.274 882 V C 0.094 176.221 176.094 0.055 0.000 1.023 882 V CA -0.132 62.202 62.300 0.056 0.000 0.808 882 V CB 0.805 32.665 31.823 0.062 0.000 1.035 882 V HN 0.530 nan 8.190 nan 0.000 0.445 883 L N 3.218 124.471 121.223 0.051 0.000 3.229 883 L HA 0.327 4.667 4.340 -0.001 0.000 0.286 883 L C 0.594 177.488 176.870 0.041 0.000 1.239 883 L CA 0.021 54.886 54.840 0.042 0.000 1.035 883 L CB 0.669 42.747 42.059 0.032 0.000 1.408 883 L HN 0.653 nan 8.230 nan 0.000 0.593 884 D N -2.119 118.314 120.400 0.055 0.000 2.525 884 D HA 0.058 4.697 4.640 -0.001 0.000 0.229 884 D C 0.108 176.444 176.300 0.060 0.000 1.202 884 D CA -0.466 53.566 54.000 0.054 0.000 0.828 884 D CB -0.415 40.425 40.800 0.067 0.000 1.008 884 D HN 0.075 nan 8.370 nan 0.000 0.493 885 N N 1.680 120.413 118.700 0.055 0.000 2.395 885 N HA 0.097 4.837 4.740 -0.001 0.000 0.246 885 N C 0.164 175.674 175.510 0.001 0.000 1.246 885 N CA 0.360 53.441 53.050 0.052 0.000 0.879 885 N CB 0.659 39.174 38.487 0.047 0.000 1.098 885 N HN 0.315 nan 8.380 nan 0.000 0.444 886 K N -0.190 120.196 120.400 -0.024 0.000 2.508 886 K HA 0.557 4.877 4.320 -0.001 0.000 0.260 886 K C -3.226 173.332 176.600 -0.070 0.000 0.949 886 K CA -2.080 54.143 56.287 -0.106 0.000 0.834 886 K CB 1.356 33.698 32.500 -0.263 0.000 1.365 886 K HN 0.123 nan 8.250 nan 0.000 0.437 887 P HA -0.048 nan 4.420 nan 0.000 0.262 887 P C -0.984 176.327 177.300 0.018 0.000 1.182 887 P CA -0.360 62.707 63.100 -0.055 0.000 0.761 887 P CB 0.703 32.356 31.700 -0.078 0.000 0.795 888 V N 5.410 125.307 119.914 -0.029 0.000 2.789 888 V HA 0.475 4.595 4.120 -0.001 0.000 0.311 888 V C -1.215 174.751 176.094 -0.213 0.000 1.073 888 V CA -1.116 61.141 62.300 -0.071 0.000 0.921 888 V CB 2.075 33.831 31.823 -0.112 0.000 1.009 888 V HN 0.259 nan 8.190 nan 0.000 0.426 889 L N 6.984 128.108 121.223 -0.166 0.000 2.270 889 L HA 0.582 4.922 4.340 -0.001 0.000 0.286 889 L C -0.375 176.470 176.870 -0.042 0.000 1.059 889 L CA 0.154 54.932 54.840 -0.103 0.000 0.839 889 L CB 0.259 42.280 42.059 -0.062 0.000 1.221 889 L HN 0.696 nan 8.230 nan 0.000 0.431 890 H N 5.558 124.649 119.070 0.035 0.000 2.525 890 H HA 0.499 5.054 4.556 -0.001 0.000 0.339 890 H C -0.119 175.118 175.328 -0.152 0.000 1.109 890 H CA -0.256 55.760 56.048 -0.054 0.000 1.352 890 H CB 1.278 31.090 29.762 0.083 0.000 1.461 890 H HN 0.682 nan 8.280 nan 0.000 0.533 891 I N 0.212 120.621 120.570 -0.269 0.000 2.646 891 I HA 0.604 4.773 4.170 -0.001 0.000 0.299 891 I C -1.380 174.375 176.117 -0.604 0.000 1.036 891 I CA -0.947 60.202 61.300 -0.252 0.000 1.074 891 I CB 2.122 40.072 38.000 -0.083 0.000 1.258 891 I HN 0.241 nan 8.210 nan 0.000 0.430 892 Y N 2.443 122.795 120.300 0.088 0.000 2.625 892 Y HA 0.697 5.246 4.550 -0.001 0.000 0.338 892 Y C -0.537 175.419 175.900 0.094 0.000 1.123 892 Y CA -1.071 57.088 58.100 0.098 0.000 1.046 892 Y CB 1.663 40.202 38.460 0.131 0.000 1.299 892 Y HN 0.420 nan 8.280 nan 0.000 0.464 893 R N 1.385 122.047 120.500 0.270 0.000 2.740 893 R HA 0.628 4.967 4.340 -0.001 0.000 0.282 893 R C -1.898 174.520 176.300 0.196 0.000 0.969 893 R CA -1.184 55.032 56.100 0.194 0.000 0.918 893 R CB 2.450 32.822 30.300 0.121 0.000 1.175 893 R HN 0.659 nan 8.270 nan 0.000 0.464 894 L N 2.067 123.384 121.223 0.156 0.000 2.342 894 L HA 0.432 4.772 4.340 -0.001 0.000 0.276 894 L C -1.309 175.593 176.870 0.054 0.000 0.997 894 L CA -0.533 54.376 54.840 0.114 0.000 0.838 894 L CB 1.806 43.945 42.059 0.134 0.000 1.224 894 L HN 0.296 nan 8.230 nan 0.000 0.416 895 V N 6.138 126.069 119.914 0.028 0.000 2.313 895 V HA 0.406 4.525 4.120 -0.001 0.000 0.278 895 V C -0.290 175.782 176.094 -0.035 0.000 1.017 895 V CA -0.551 61.745 62.300 -0.006 0.000 0.823 895 V CB 1.330 33.143 31.823 -0.017 0.000 1.010 895 V HN 0.645 nan 8.190 nan 0.000 0.443 896 L N 5.454 126.651 121.223 -0.044 0.000 2.275 896 L HA 0.690 5.029 4.340 -0.001 0.000 0.288 896 L C -0.160 176.673 176.870 -0.062 0.000 1.046 896 L CA 0.630 55.435 54.840 -0.058 0.000 0.805 896 L CB 1.094 43.114 42.059 -0.065 0.000 1.193 896 L HN 0.737 nan 8.230 nan 0.000 0.426 897 E N 3.645 123.802 120.200 -0.072 0.000 2.366 897 E HA 0.412 4.761 4.350 -0.001 0.000 0.278 897 E C -1.266 175.291 176.600 -0.073 0.000 0.923 897 E CA -1.195 55.159 56.400 -0.077 0.000 0.761 897 E CB 1.460 31.099 29.700 -0.102 0.000 1.231 897 E HN 0.262 nan 8.360 nan 0.000 0.443 898 K N 1.278 121.639 120.400 -0.065 0.000 2.322 898 K HA 0.160 4.479 4.320 -0.001 0.000 0.283 898 K C 0.526 177.085 176.600 -0.070 0.000 1.042 898 K CA -0.143 56.109 56.287 -0.058 0.000 0.958 898 K CB 0.961 33.432 32.500 -0.048 0.000 0.984 898 K HN 0.490 nan 8.250 nan 0.000 0.473 899 V N -0.781 119.093 119.914 -0.066 0.000 3.252 899 V HA 0.024 4.143 4.120 -0.001 0.000 0.320 899 V C 1.082 177.142 176.094 -0.056 0.000 1.459 899 V CA -0.314 61.939 62.300 -0.079 0.000 1.095 899 V CB -0.294 31.465 31.823 -0.107 0.000 0.997 899 V HN 0.625 nan 8.190 nan 0.000 0.469 900 N N 1.302 119.978 118.700 -0.041 0.000 2.364 900 N HA -0.153 4.587 4.740 -0.001 0.000 0.183 900 N C 0.994 176.485 175.510 -0.032 0.000 1.022 900 N CA 1.465 54.498 53.050 -0.029 0.000 0.883 900 N CB -0.451 38.023 38.487 -0.022 0.000 0.965 900 N HN 0.535 nan 8.380 nan 0.000 0.438 901 N N 0.024 118.699 118.700 -0.041 0.000 2.280 901 N HA 0.077 4.817 4.740 -0.001 0.000 0.192 901 N C -0.310 175.171 175.510 -0.050 0.000 1.109 901 N CA -0.123 52.903 53.050 -0.041 0.000 0.855 901 N CB 0.143 38.605 38.487 -0.042 0.000 0.974 901 N HN 0.191 nan 8.380 nan 0.000 0.482 902 c N 1.408 119.972 118.600 -0.059 0.000 2.593 902 c HA 0.250 4.819 4.570 -0.001 0.000 0.409 902 c C 1.030 175.083 174.090 -0.061 0.000 1.304 902 c CA -0.916 55.370 56.329 -0.072 0.000 2.007 902 c CB 0.658 43.111 42.510 -0.095 0.000 2.614 902 c HN 0.013 nan 8.230 nan 0.000 0.585 903 V N 5.999 125.873 119.914 -0.066 0.000 2.381 903 V HA 0.185 4.305 4.120 -0.001 0.000 0.257 903 V C 0.677 176.735 176.094 -0.059 0.000 1.057 903 V CA 0.434 62.700 62.300 -0.057 0.000 1.013 903 V CB -0.693 31.092 31.823 -0.063 0.000 1.069 903 V HN 0.788 nan 8.190 nan 0.000 0.484 904 R N 4.732 125.209 120.500 -0.038 0.000 2.758 904 R HA 0.538 4.878 4.340 -0.001 0.000 0.265 904 R C -2.433 173.862 176.300 -0.008 0.000 1.016 904 R CA -1.866 54.221 56.100 -0.022 0.000 1.040 904 R CB 1.057 31.347 30.300 -0.015 0.000 1.152 904 R HN 0.396 nan 8.270 nan 0.000 0.503 905 P HA -0.037 nan 4.420 nan 0.000 0.269 905 P C -0.344 176.997 177.300 0.067 0.000 1.215 905 P CA -0.209 62.877 63.100 -0.023 0.000 0.780 905 P CB 0.580 32.190 31.700 -0.150 0.000 0.898 906 S N 1.260 117.024 115.700 0.107 0.000 2.587 906 S HA 0.032 4.501 4.470 -0.001 0.000 0.260 906 S C 1.093 175.775 174.600 0.135 0.000 1.353 906 S CA -0.024 58.243 58.200 0.112 0.000 0.995 906 S CB 0.243 63.511 63.200 0.114 0.000 0.912 906 S HN 0.316 nan 8.310 nan 0.000 0.568 907 K N 0.282 120.743 120.400 0.102 0.000 2.280 907 K HA 0.087 4.407 4.320 -0.001 0.000 0.202 907 K C 1.386 178.043 176.600 0.095 0.000 1.047 907 K CA 1.135 57.480 56.287 0.096 0.000 0.942 907 K CB -0.462 32.079 32.500 0.068 0.000 0.739 907 K HN 0.549 nan 8.250 nan 0.000 0.457 908 L N -0.142 121.140 121.223 0.099 0.000 2.607 908 L HA 0.051 4.390 4.340 -0.001 0.000 0.228 908 L C 0.844 177.766 176.870 0.087 0.000 1.123 908 L CA -0.277 54.605 54.840 0.071 0.000 0.890 908 L CB -0.104 41.982 42.059 0.045 0.000 1.103 908 L HN 0.243 nan 8.230 nan 0.000 0.468 909 H N 2.611 121.720 119.070 0.065 0.000 2.722 909 H HA 0.100 4.656 4.556 -0.001 0.000 0.328 909 H C -1.682 173.688 175.328 0.071 0.000 1.067 909 H CA -1.397 54.702 56.048 0.085 0.000 1.447 909 H CB 1.837 31.677 29.762 0.129 0.000 1.469 909 H HN -0.078 nan 8.280 nan 0.000 0.544 910 P HA 0.121 nan 4.420 nan 0.000 0.245 910 P C -0.311 177.089 177.300 0.167 0.000 1.212 910 P CA 0.209 63.336 63.100 0.046 0.000 0.774 910 P CB 0.465 32.123 31.700 -0.071 0.000 0.999 911 A N -0.319 122.769 122.820 0.446 0.000 2.299 911 A HA 0.749 5.068 4.320 -0.001 0.000 0.332 911 A C 0.291 177.946 177.584 0.118 0.000 1.131 911 A CA -0.284 51.895 52.037 0.236 0.000 0.844 911 A CB 1.026 20.157 19.000 0.217 0.000 1.251 911 A HN 0.169 nan 8.150 nan 0.000 0.486 912 G N -1.423 107.317 108.800 -0.099 0.000 2.658 912 G HA2 0.630 4.589 3.960 -0.001 0.000 0.292 912 G HA3 0.630 4.589 3.960 -0.001 0.000 0.292 912 G C -1.861 172.634 174.900 -0.675 0.000 1.320 912 G CA -0.403 44.528 45.100 -0.282 0.000 0.933 912 G HN 0.517 nan 8.290 nan 0.000 0.476 913 Y N -0.738 119.520 120.300 -0.070 0.000 2.492 913 Y HA 0.487 5.037 4.550 -0.001 0.000 0.346 913 Y C 0.428 176.084 175.900 -0.407 0.000 0.997 913 Y CA -0.853 57.137 58.100 -0.183 0.000 1.025 913 Y CB 1.980 40.329 38.460 -0.185 0.000 1.263 913 Y HN 0.346 nan 8.280 nan 0.000 0.454 914 L N 2.197 123.252 121.223 -0.280 0.000 2.472 914 L HA 0.324 4.663 4.340 -0.001 0.000 0.260 914 L C 0.786 177.505 176.870 -0.251 0.000 1.209 914 L CA -0.426 54.178 54.840 -0.395 0.000 0.817 914 L CB 0.660 42.565 42.059 -0.258 0.000 1.106 914 L HN 0.797 nan 8.230 nan 0.000 0.479 915 T N -2.586 111.813 114.554 -0.259 0.000 2.847 915 T HA 0.059 4.408 4.350 -0.001 0.000 0.279 915 T C 1.146 175.800 174.700 -0.078 0.000 0.984 915 T CA -0.163 61.838 62.100 -0.165 0.000 0.988 915 T CB 1.471 70.237 68.868 -0.170 0.000 1.040 915 T HN 0.612 nan 8.240 nan 0.000 0.528 916 S N 0.480 116.147 115.700 -0.054 0.000 2.365 916 S HA -0.167 4.303 4.470 -0.001 0.000 0.225 916 S C 2.329 176.947 174.600 0.030 0.000 1.039 916 S CA 1.578 59.781 58.200 0.004 0.000 1.033 916 S CB -1.253 61.937 63.200 -0.018 0.000 0.887 916 S HN 0.918 nan 8.310 nan 0.000 0.447 917 A N 1.132 123.945 122.820 -0.011 0.000 1.930 917 A HA 0.254 4.574 4.320 -0.001 0.000 0.217 917 A C 2.466 180.051 177.584 0.002 0.000 1.175 917 A CA 1.824 53.858 52.037 -0.006 0.000 0.627 917 A CB -1.314 17.672 19.000 -0.024 0.000 0.815 917 A HN 0.801 nan 8.150 nan 0.000 0.443 918 A N -1.349 121.458 122.820 -0.022 0.000 1.930 918 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 918 A C 2.114 179.730 177.584 0.054 0.000 1.175 918 A CA 1.597 53.624 52.037 -0.016 0.000 0.627 918 A CB -0.906 18.027 19.000 -0.111 0.000 0.815 918 A HN 0.777 nan 8.150 nan 0.000 0.443 919 H N -0.031 119.030 119.070 -0.015 0.000 2.326 919 H HA -0.042 4.514 4.556 -0.001 0.000 0.301 919 H C 1.840 177.210 175.328 0.071 0.000 1.081 919 H CA 1.791 57.866 56.048 0.046 0.000 1.334 919 H CB -0.046 29.738 29.762 0.037 0.000 1.385 919 H HN 0.423 nan 8.280 nan 0.000 0.504 920 K N 0.241 120.617 120.400 -0.040 0.000 2.097 920 K HA -0.073 4.247 4.320 -0.001 0.000 0.206 920 K C 2.390 178.963 176.600 -0.045 0.000 1.049 920 K CA 0.836 57.080 56.287 -0.071 0.000 0.933 920 K CB -0.057 32.450 32.500 0.012 0.000 0.717 920 K HN 0.270 nan 8.250 nan 0.000 0.442 921 A N 0.883 123.699 122.820 -0.006 0.000 1.902 921 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 921 A C 2.219 179.813 177.584 0.017 0.000 1.181 921 A CA 2.114 54.161 52.037 0.017 0.000 0.623 921 A CB -0.673 18.351 19.000 0.040 0.000 0.818 921 A HN 0.286 nan 8.150 nan 0.000 0.443 922 S N -0.727 114.984 115.700 0.019 0.000 2.356 922 S HA -0.228 4.241 4.470 -0.001 0.000 0.223 922 S C 2.150 176.745 174.600 -0.008 0.000 1.032 922 S CA 1.668 59.896 58.200 0.047 0.000 1.005 922 S CB -0.416 62.856 63.200 0.119 0.000 0.867 922 S HN 0.676 nan 8.310 nan 0.000 0.449 923 Q N 0.656 120.404 119.800 -0.086 0.000 2.181 923 Q HA -0.106 4.234 4.340 -0.001 0.000 0.205 923 Q C 2.482 178.446 176.000 -0.060 0.000 0.980 923 Q CA 1.728 57.483 55.803 -0.079 0.000 0.862 923 Q CB -0.344 28.325 28.738 -0.115 0.000 0.905 923 Q HN 0.810 nan 8.270 nan 0.000 0.429 924 S N 0.197 115.871 115.700 -0.044 0.000 2.423 924 S HA -0.075 4.394 4.470 -0.001 0.000 0.231 924 S C 1.846 176.408 174.600 -0.064 0.000 1.014 924 S CA 0.678 58.851 58.200 -0.046 0.000 0.965 924 S CB -0.212 62.978 63.200 -0.018 0.000 0.785 924 S HN 0.285 nan 8.310 nan 0.000 0.495 925 L N -0.006 121.189 121.223 -0.048 0.000 2.168 925 L HA 0.238 4.578 4.340 -0.001 0.000 0.203 925 L C 2.492 179.307 176.870 -0.091 0.000 1.078 925 L CA 0.670 55.477 54.840 -0.056 0.000 0.780 925 L CB -0.348 41.695 42.059 -0.026 0.000 0.939 925 L HN 0.281 nan 8.230 nan 0.000 0.451 926 L N -1.123 120.052 121.223 -0.081 0.000 2.249 926 L HA 0.028 4.368 4.340 -0.001 0.000 0.207 926 L C 0.173 176.937 176.870 -0.177 0.000 1.090 926 L CA 0.815 55.596 54.840 -0.098 0.000 0.802 926 L CB 0.113 42.140 42.059 -0.053 0.000 0.947 926 L HN 0.212 nan 8.230 nan 0.000 0.453 927 D N 0.261 120.537 120.400 -0.206 0.000 2.656 927 D HA 0.229 4.869 4.640 -0.001 0.000 0.303 927 D C -2.355 173.739 176.300 -0.342 0.000 1.199 927 D CA -0.947 52.858 54.000 -0.326 0.000 0.797 927 D CB 1.340 42.146 40.800 0.009 0.000 1.170 927 D HN 0.062 nan 8.370 nan 0.000 0.509 928 P HA 0.135 nan 4.420 nan 0.000 0.275 928 P C 0.604 177.788 177.300 -0.193 0.000 1.266 928 P CA -0.519 62.433 63.100 -0.248 0.000 0.793 928 P CB 1.492 33.059 31.700 -0.223 0.000 1.074 929 L N 0.701 121.862 121.223 -0.103 0.000 2.514 929 L HA 0.060 4.400 4.340 -0.001 0.000 0.280 929 L C 0.875 177.732 176.870 -0.021 0.000 1.223 929 L CA 0.454 55.274 54.840 -0.033 0.000 0.864 929 L CB -0.367 41.687 42.059 -0.009 0.000 1.118 929 L HN 0.278 nan 8.230 nan 0.000 0.494 930 D N 3.335 123.787 120.400 0.086 0.000 2.255 930 D HA 0.305 4.944 4.640 -0.001 0.000 0.249 930 D C -0.297 175.995 176.300 -0.013 0.000 1.078 930 D CA -0.243 53.748 54.000 -0.014 0.000 0.896 930 D CB 1.552 42.375 40.800 0.039 0.000 1.194 930 D HN 0.372 nan 8.370 nan 0.000 0.429 931 K N 1.517 121.790 120.400 -0.211 0.000 2.345 931 K HA 0.467 4.786 4.320 -0.001 0.000 0.255 931 K C -0.968 175.568 176.600 -0.108 0.000 0.934 931 K CA -0.660 55.643 56.287 0.026 0.000 0.801 931 K CB 1.561 34.041 32.500 -0.034 0.000 1.137 931 K HN 0.226 nan 8.250 nan 0.000 0.424 932 F N 2.513 122.637 119.950 0.291 0.000 2.520 932 F HA 0.500 5.027 4.527 -0.001 0.000 0.322 932 F C 0.039 176.115 175.800 0.461 0.000 1.103 932 F CA -0.898 57.265 58.000 0.271 0.000 0.926 932 F CB 1.314 40.297 39.000 -0.029 0.000 1.154 932 F HN 0.200 nan 8.300 nan 0.000 0.453 933 I N 3.391 124.340 120.570 0.631 0.000 2.362 933 I HA 0.221 4.391 4.170 -0.001 0.000 0.289 933 I C -0.630 175.766 176.117 0.466 0.000 0.994 933 I CA -0.840 60.757 61.300 0.495 0.000 1.158 933 I CB 1.324 39.513 38.000 0.316 0.000 1.315 933 I HN 0.433 nan 8.210 nan 0.000 0.451 934 F N 5.731 125.838 119.950 0.262 0.000 2.578 934 F HA 0.205 4.731 4.527 -0.001 0.000 0.381 934 F C 1.191 176.910 175.800 -0.136 0.000 1.069 934 F CA 0.096 57.963 58.000 -0.221 0.000 1.231 934 F CB 1.201 40.093 39.000 -0.180 0.000 1.086 934 F HN 0.603 nan 8.300 nan 0.000 0.564 935 A N 4.410 126.629 122.820 -1.002 0.000 1.975 935 A HA 0.065 4.385 4.320 -0.001 0.000 0.215 935 A C 1.074 178.395 177.584 -0.438 0.000 1.170 935 A CA 0.593 52.293 52.037 -0.562 0.000 0.656 935 A CB -0.280 18.386 19.000 -0.557 0.000 0.821 935 A HN 0.680 nan 8.150 nan 0.000 0.449 936 E N -0.365 119.431 120.200 -0.672 0.000 2.504 936 E HA 0.187 4.537 4.350 -0.001 0.000 0.253 936 E C 0.194 176.903 176.600 0.182 0.000 1.151 936 E CA -0.690 55.624 56.400 -0.142 0.000 0.972 936 E CB 0.146 29.815 29.700 -0.051 0.000 1.247 936 E HN 0.202 nan 8.360 nan 0.000 0.519 937 N N 0.598 119.416 118.700 0.197 0.000 2.216 937 N HA -0.101 4.638 4.740 -0.001 0.000 0.183 937 N C 0.116 175.778 175.510 0.253 0.000 1.017 937 N CA 0.923 54.095 53.050 0.204 0.000 0.861 937 N CB 0.303 38.865 38.487 0.125 0.000 0.986 937 N HN 0.458 nan 8.380 nan 0.000 0.428 938 E N -0.706 119.666 120.200 0.286 0.000 2.275 938 E HA 0.122 4.471 4.350 -0.001 0.000 0.270 938 E C -1.578 175.090 176.600 0.114 0.000 0.882 938 E CA -0.725 55.760 56.400 0.141 0.000 0.758 938 E CB 1.241 30.988 29.700 0.079 0.000 1.195 938 E HN -0.004 nan 8.360 nan 0.000 0.419 939 W N 7.782 128.739 121.300 -0.572 0.000 2.288 939 W HA 0.427 5.086 4.660 -0.001 0.000 0.325 939 W C -1.470 174.840 176.519 -0.349 0.000 1.019 939 W CA -1.448 55.414 57.345 -0.806 0.000 1.403 939 W CB -0.041 28.458 29.460 -1.601 0.000 1.226 939 W HN 0.467 nan 8.180 nan 0.000 0.391 940 I N 6.003 126.672 120.570 0.165 0.000 2.441 940 I HA 0.324 4.493 4.170 -0.001 0.000 0.287 940 I C 1.451 177.565 176.117 -0.005 0.000 1.049 940 I CA 0.876 62.195 61.300 0.032 0.000 1.381 940 I CB 0.862 38.911 38.000 0.083 0.000 1.409 940 I HN 0.781 nan 8.210 nan 0.000 0.523 941 G N 4.281 112.989 108.800 -0.153 0.000 2.143 941 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.249 941 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.249 941 G C 0.400 175.078 174.900 -0.370 0.000 0.981 941 G CA -0.103 44.895 45.100 -0.170 0.000 0.665 941 G HN 0.992 nan 8.290 nan 0.000 0.528 942 A N -0.450 121.895 122.820 -0.792 0.000 2.531 942 A HA 0.573 4.893 4.320 -0.001 0.000 0.236 942 A C 0.566 177.733 177.584 -0.695 0.000 1.062 942 A CA 0.861 52.068 52.037 -1.382 0.000 0.760 942 A CB 0.250 18.036 19.000 -2.024 0.000 0.995 942 A HN 0.656 nan 8.150 nan 0.000 0.501 943 Q N 0.600 120.070 119.800 -0.549 0.000 2.351 943 Q HA 0.541 4.880 4.340 -0.001 0.000 0.273 943 Q C 1.086 176.971 176.000 -0.191 0.000 1.077 943 Q CA -0.259 55.383 55.803 -0.268 0.000 0.843 943 Q CB 1.904 30.551 28.738 -0.151 0.000 1.367 943 Q HN 0.776 nan 8.270 nan 0.000 0.449 944 G N -0.060 108.664 108.800 -0.128 0.000 2.603 944 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.214 944 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.214 944 G C 0.141 175.008 174.900 -0.054 0.000 1.140 944 G CA 0.533 45.570 45.100 -0.105 0.000 0.800 944 G HN 0.421 nan 8.290 nan 0.000 0.533 945 Q N -1.266 118.519 119.800 -0.025 0.000 2.426 945 Q HA 0.511 4.850 4.340 -0.001 0.000 0.278 945 Q C -2.347 173.665 176.000 0.021 0.000 1.007 945 Q CA -0.914 54.887 55.803 -0.004 0.000 0.850 945 Q CB 2.236 30.958 28.738 -0.027 0.000 1.427 945 Q HN 0.054 nan 8.270 nan 0.000 0.391 946 F N 1.557 121.409 119.950 -0.163 0.000 2.540 946 F HA 0.663 5.190 4.527 -0.001 0.000 0.317 946 F C 0.602 176.147 175.800 -0.426 0.000 1.104 946 F CA 0.439 58.277 58.000 -0.270 0.000 0.913 946 F CB 2.052 40.902 39.000 -0.251 0.000 1.170 946 F HN 0.685 nan 8.300 nan 0.000 0.450 947 G N 3.030 110.795 108.800 -1.725 0.000 2.141 947 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.231 947 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.231 947 G C 1.038 175.234 174.900 -1.173 0.000 0.984 947 G CA 0.260 44.085 45.100 -2.125 0.000 0.660 947 G HN 1.555 nan 8.290 nan 0.000 0.525 948 G N 1.070 109.483 108.800 -0.646 0.000 2.498 948 G HA2 0.036 3.995 3.960 -0.001 0.000 0.219 948 G HA3 0.036 3.995 3.960 -0.001 0.000 0.219 948 G C 1.238 176.059 174.900 -0.131 0.000 1.119 948 G CA 1.756 46.706 45.100 -0.250 0.000 0.766 948 G HN 0.834 nan 8.290 nan 0.000 0.552 949 D N -0.770 119.466 120.400 -0.273 0.000 2.349 949 D HA 0.013 4.652 4.640 -0.001 0.000 0.214 949 D C 0.312 176.589 176.300 -0.039 0.000 1.063 949 D CA -0.480 53.453 54.000 -0.110 0.000 0.847 949 D CB -0.841 39.903 40.800 -0.094 0.000 0.933 949 D HN 0.449 nan 8.370 nan 0.000 0.513 950 H N 1.197 120.144 119.070 -0.205 0.000 2.764 950 H HA 0.229 4.785 4.556 -0.001 0.000 0.341 950 H C -1.992 173.290 175.328 -0.077 0.000 1.072 950 H CA -1.704 54.250 56.048 -0.157 0.000 1.444 950 H CB 0.585 30.206 29.762 -0.235 0.000 1.458 950 H HN 0.002 nan 8.280 nan 0.000 0.572 951 P HA -0.056 nan 4.420 nan 0.000 0.268 951 P C -0.563 176.791 177.300 0.090 0.000 1.204 951 P CA 0.088 63.237 63.100 0.083 0.000 0.768 951 P CB 0.737 32.467 31.700 0.051 0.000 0.842 952 S N 2.452 118.233 115.700 0.135 0.000 2.464 952 S HA 0.548 5.018 4.470 -0.001 0.000 0.313 952 S C 0.091 174.783 174.600 0.154 0.000 1.078 952 S CA -0.607 57.702 58.200 0.181 0.000 1.096 952 S CB -0.771 62.638 63.200 0.348 0.000 1.032 952 S HN 0.502 nan 8.310 nan 0.000 0.498 953 A N 4.383 127.292 122.820 0.148 0.000 2.386 953 A HA 0.434 4.754 4.320 -0.001 0.000 0.248 953 A C 0.606 178.259 177.584 0.115 0.000 1.082 953 A CA -0.433 51.676 52.037 0.121 0.000 0.789 953 A CB 0.136 19.208 19.000 0.120 0.000 1.025 953 A HN 0.915 nan 8.150 nan 0.000 0.490 954 R N 0.265 120.807 120.500 0.070 0.000 2.619 954 R HA -0.063 4.276 4.340 -0.001 0.000 0.268 954 R C 1.457 177.777 176.300 0.033 0.000 0.990 954 R CA 1.063 57.186 56.100 0.037 0.000 1.092 954 R CB 0.310 30.619 30.300 0.016 0.000 0.935 954 R HN 0.913 nan 8.270 nan 0.000 0.415 955 E N 1.853 122.036 120.200 -0.029 0.000 2.265 955 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 955 E C 0.297 176.934 176.600 0.062 0.000 0.996 955 E CA 1.548 57.906 56.400 -0.070 0.000 0.832 955 E CB -0.062 29.578 29.700 -0.099 0.000 0.756 955 E HN 0.767 nan 8.360 nan 0.000 0.491 956 D N 0.579 120.975 120.400 -0.006 0.000 2.340 956 D HA 0.000 4.640 4.640 -0.001 0.000 0.220 956 D C 0.349 176.650 176.300 0.002 0.000 1.039 956 D CA -0.118 53.832 54.000 -0.084 0.000 0.866 956 D CB -0.041 40.653 40.800 -0.178 0.000 0.913 956 D HN 0.164 nan 8.370 nan 0.000 0.523 957 L N 0.855 122.128 121.223 0.083 0.000 2.307 957 L HA 0.495 4.834 4.340 -0.001 0.000 0.282 957 L C -1.009 175.995 176.870 0.224 0.000 1.051 957 L CA -0.356 54.553 54.840 0.116 0.000 0.804 957 L CB 1.541 43.657 42.059 0.094 0.000 1.197 957 L HN -0.206 nan 8.230 nan 0.000 0.431 958 D N 2.394 122.946 120.400 0.253 0.000 2.671 958 D HA 0.347 4.986 4.640 -0.001 0.000 0.232 958 D C -1.299 175.166 176.300 0.276 0.000 1.114 958 D CA -0.281 53.892 54.000 0.287 0.000 0.858 958 D CB 2.390 43.407 40.800 0.361 0.000 1.544 958 D HN 0.219 nan 8.370 nan 0.000 0.471 959 V N 3.525 123.579 119.914 0.234 0.000 2.299 959 V HA 0.118 4.237 4.120 -0.001 0.000 0.255 959 V C 1.325 177.560 176.094 0.234 0.000 1.100 959 V CA 0.017 62.467 62.300 0.251 0.000 0.938 959 V CB 0.406 32.367 31.823 0.230 0.000 1.139 959 V HN 0.585 nan 8.190 nan 0.000 0.490 960 S N 3.166 119.034 115.700 0.279 0.000 2.382 960 S HA -0.018 4.452 4.470 -0.001 0.000 0.228 960 S C 0.667 175.326 174.600 0.100 0.000 1.027 960 S CA 0.869 59.187 58.200 0.197 0.000 0.991 960 S CB 0.158 63.531 63.200 0.288 0.000 0.823 960 S HN 0.505 nan 8.310 nan 0.000 0.469 961 V N 1.450 121.460 119.914 0.160 0.000 2.760 961 V HA 0.519 4.638 4.120 -0.001 0.000 0.309 961 V C -0.772 175.387 176.094 0.109 0.000 1.077 961 V CA -0.549 61.818 62.300 0.111 0.000 0.910 961 V CB 1.902 33.811 31.823 0.144 0.000 1.008 961 V HN 0.355 nan 8.190 nan 0.000 0.424 962 M N 5.502 125.086 119.600 -0.027 0.000 2.197 962 M HA 0.673 5.153 4.480 -0.001 0.000 0.301 962 M C -1.013 175.110 176.300 -0.295 0.000 0.987 962 M CA -0.500 54.645 55.300 -0.258 0.000 0.921 962 M CB 1.426 33.874 32.600 -0.254 0.000 1.569 962 M HN 0.755 nan 8.290 nan 0.000 0.431 963 R N 4.154 124.411 120.500 -0.406 0.000 2.515 963 R HA 0.423 4.763 4.340 -0.001 0.000 0.291 963 R C -1.402 174.664 176.300 -0.391 0.000 1.046 963 R CA -0.689 55.226 56.100 -0.308 0.000 0.914 963 R CB 1.793 32.001 30.300 -0.154 0.000 1.191 963 R HN 0.894 nan 8.270 nan 0.000 0.435 964 R N 4.485 124.812 120.500 -0.289 0.000 2.442 964 R HA 0.137 4.477 4.340 -0.001 0.000 0.291 964 R C 0.168 176.355 176.300 -0.188 0.000 1.069 964 R CA 0.078 56.038 56.100 -0.234 0.000 1.022 964 R CB 0.615 30.836 30.300 -0.132 0.000 0.976 964 R HN 0.712 nan 8.270 nan 0.000 0.443 965 L N 2.983 124.089 121.223 -0.195 0.000 2.616 965 L HA 0.148 4.488 4.340 -0.001 0.000 0.229 965 L C 0.339 177.157 176.870 -0.087 0.000 1.110 965 L CA 0.021 54.767 54.840 -0.157 0.000 0.884 965 L CB 0.439 42.369 42.059 -0.214 0.000 1.115 965 L HN 0.714 nan 8.230 nan 0.000 0.481 966 T N -2.582 111.933 114.554 -0.066 0.000 2.885 966 T HA 0.464 4.813 4.350 -0.001 0.000 0.285 966 T C -0.227 174.466 174.700 -0.012 0.000 1.019 966 T CA -0.910 61.170 62.100 -0.034 0.000 1.010 966 T CB 2.394 71.248 68.868 -0.023 0.000 1.022 966 T HN -0.082 nan 8.240 nan 0.000 0.466 967 K N 0.801 121.200 120.400 -0.001 0.000 2.127 967 K HA 0.360 4.680 4.320 -0.001 0.000 0.240 967 K C 1.599 178.214 176.600 0.024 0.000 1.024 967 K CA -0.371 55.926 56.287 0.018 0.000 0.918 967 K CB 0.616 33.125 32.500 0.015 0.000 1.108 967 K HN 0.786 nan 8.250 nan 0.000 0.485 968 S N -0.683 115.040 115.700 0.038 0.000 2.447 968 S HA -0.145 4.325 4.470 -0.001 0.000 0.233 968 S C 1.786 176.401 174.600 0.025 0.000 1.006 968 S CA 1.356 59.577 58.200 0.035 0.000 0.957 968 S CB -0.361 62.866 63.200 0.045 0.000 0.773 968 S HN 0.633 nan 8.310 nan 0.000 0.507 969 S N 1.594 117.307 115.700 0.022 0.000 2.515 969 S HA 0.397 4.866 4.470 -0.001 0.000 0.231 969 S C 0.814 175.421 174.600 0.012 0.000 0.987 969 S CA 0.065 58.276 58.200 0.018 0.000 0.936 969 S CB -0.640 62.571 63.200 0.017 0.000 0.766 969 S HN 0.766 nan 8.310 nan 0.000 0.528 970 A N 1.787 124.612 122.820 0.009 0.000 2.454 970 A HA 0.389 4.709 4.320 -0.001 0.000 0.260 970 A C 1.213 178.802 177.584 0.009 0.000 1.106 970 A CA -0.419 51.620 52.037 0.004 0.000 0.780 970 A CB 0.257 19.256 19.000 -0.002 0.000 1.044 970 A HN 0.458 nan 8.150 nan 0.000 0.498 971 K N 1.647 122.051 120.400 0.007 0.000 2.097 971 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 971 K C 0.049 176.658 176.600 0.015 0.000 1.049 971 K CA 1.584 57.877 56.287 0.011 0.000 0.933 971 K CB -0.007 32.497 32.500 0.007 0.000 0.717 971 K HN 0.663 nan 8.250 nan 0.000 0.442 972 T N 2.427 116.987 114.554 0.010 0.000 2.753 972 T HA 0.182 4.531 4.350 -0.001 0.000 0.297 972 T C -0.850 173.862 174.700 0.021 0.000 0.981 972 T CA -0.661 61.447 62.100 0.014 0.000 0.956 972 T CB 1.419 70.285 68.868 -0.003 0.000 0.936 972 T HN 0.071 nan 8.240 nan 0.000 0.463 973 Q N 2.835 122.666 119.800 0.051 0.000 2.327 973 Q HA 0.391 4.730 4.340 -0.001 0.000 0.254 973 Q C 0.068 176.119 176.000 0.085 0.000 0.952 973 Q CA 0.119 55.957 55.803 0.058 0.000 0.884 973 Q CB 1.250 30.027 28.738 0.065 0.000 1.224 973 Q HN 0.552 nan 8.270 nan 0.000 0.422 974 R N 0.429 120.946 120.500 0.029 0.000 2.628 974 R HA 0.658 4.998 4.340 -0.001 0.000 0.288 974 R C -1.074 175.182 176.300 -0.073 0.000 0.980 974 R CA -0.665 55.438 56.100 0.005 0.000 0.891 974 R CB 1.852 32.121 30.300 -0.052 0.000 1.188 974 R HN 0.247 nan 8.270 nan 0.000 0.450 975 V N 1.564 121.437 119.914 -0.069 0.000 2.531 975 V HA 0.597 4.717 4.120 -0.001 0.000 0.301 975 V C 0.188 176.024 176.094 -0.430 0.000 1.034 975 V CA -0.836 61.297 62.300 -0.279 0.000 0.865 975 V CB 2.020 33.694 31.823 -0.249 0.000 0.995 975 V HN 0.944 nan 8.190 nan 0.000 0.424 976 G N 3.042 111.378 108.800 -0.773 0.000 2.371 976 G HA2 0.653 4.612 3.960 -0.001 0.000 0.326 976 G HA3 0.653 4.612 3.960 -0.001 0.000 0.326 976 G C -1.631 172.849 174.900 -0.700 0.000 1.127 976 G CA -0.279 44.197 45.100 -1.041 0.000 0.885 976 G HN 0.513 nan 8.290 nan 0.000 0.477 977 Y N 0.407 120.807 120.300 0.167 0.000 2.406 977 Y HA 0.446 4.995 4.550 -0.001 0.000 0.340 977 Y C -0.139 176.030 175.900 0.448 0.000 0.975 977 Y CA -0.862 57.416 58.100 0.296 0.000 1.056 977 Y CB 2.762 41.364 38.460 0.237 0.000 1.210 977 Y HN 0.353 nan 8.280 nan 0.000 0.448 978 V N 5.101 125.308 119.914 0.488 0.000 2.370 978 V HA 0.354 4.473 4.120 -0.001 0.000 0.283 978 V C -0.412 175.911 176.094 0.382 0.000 1.023 978 V CA -0.759 61.756 62.300 0.358 0.000 0.857 978 V CB 1.559 33.547 31.823 0.275 0.000 0.985 978 V HN 0.629 nan 8.190 nan 0.000 0.443 979 L N 4.806 126.241 121.223 0.353 0.000 2.287 979 L HA 0.572 4.911 4.340 -0.001 0.000 0.287 979 L C -0.881 176.185 176.870 0.326 0.000 1.022 979 L CA -0.540 54.502 54.840 0.336 0.000 0.814 979 L CB 1.418 43.679 42.059 0.337 0.000 1.217 979 L HN 0.777 nan 8.230 nan 0.000 0.420 980 H N 4.612 123.836 119.070 0.257 0.000 2.529 980 H HA 0.435 4.990 4.556 -0.001 0.000 0.348 980 H C -1.021 174.398 175.328 0.151 0.000 1.079 980 H CA -0.539 55.631 56.048 0.204 0.000 1.198 980 H CB 1.357 31.310 29.762 0.318 0.000 1.521 980 H HN 0.460 nan 8.280 nan 0.000 0.514 981 R N 4.231 124.383 120.500 -0.581 0.000 2.387 981 R HA 0.288 4.628 4.340 -0.001 0.000 0.314 981 R C -0.338 175.539 176.300 -0.704 0.000 0.958 981 R CA -0.492 55.341 56.100 -0.445 0.000 0.846 981 R CB 1.422 31.591 30.300 -0.218 0.000 1.147 981 R HN 0.781 nan 8.270 nan 0.000 0.447 982 T N 1.412 115.724 114.554 -0.403 0.000 2.793 982 T HA 0.175 4.524 4.350 -0.001 0.000 0.299 982 T C -0.462 174.071 174.700 -0.279 0.000 1.038 982 T CA -0.414 61.541 62.100 -0.241 0.000 0.948 982 T CB 0.608 69.419 68.868 -0.094 0.000 1.231 982 T HN 0.662 nan 8.240 nan 0.000 0.538 983 N N 0.577 119.135 118.700 -0.237 0.000 2.399 983 N HA 0.481 5.220 4.740 -0.001 0.000 0.284 983 N C -1.488 173.860 175.510 -0.269 0.000 1.025 983 N CA -0.504 52.342 53.050 -0.339 0.000 0.885 983 N CB 0.695 38.812 38.487 -0.618 0.000 1.339 983 N HN 0.480 nan 8.380 nan 0.000 0.487 984 L N 2.668 123.732 121.223 -0.266 0.000 2.334 984 L HA 0.538 4.877 4.340 -0.001 0.000 0.276 984 L C 0.461 177.211 176.870 -0.199 0.000 1.014 984 L CA -0.945 53.775 54.840 -0.201 0.000 0.815 984 L CB 1.659 43.610 42.059 -0.179 0.000 1.268 984 L HN 0.394 nan 8.230 nan 0.000 0.428 985 M N 2.250 121.754 119.600 -0.161 0.000 2.245 985 M HA 0.078 4.557 4.480 -0.001 0.000 0.344 985 M C -0.161 176.058 176.300 -0.134 0.000 1.170 985 M CA -0.149 55.060 55.300 -0.152 0.000 1.135 985 M CB 0.505 33.020 32.600 -0.141 0.000 1.574 985 M HN 0.452 nan 8.290 nan 0.000 0.452 986 Q N 2.238 121.962 119.800 -0.126 0.000 2.344 986 Q HA 0.154 4.494 4.340 -0.001 0.000 0.253 986 Q C -0.113 175.835 176.000 -0.088 0.000 1.050 986 Q CA 0.170 55.912 55.803 -0.102 0.000 0.912 986 Q CB 0.631 29.312 28.738 -0.095 0.000 1.258 986 Q HN 0.789 nan 8.270 nan 0.000 0.443 987 c N 0.450 119.002 118.600 -0.081 0.000 3.255 987 c HA 0.376 4.945 4.570 -0.001 0.000 0.282 987 c C 1.306 175.360 174.090 -0.061 0.000 1.441 987 c CA 0.057 56.342 56.329 -0.073 0.000 1.785 987 c CB -0.292 42.169 42.510 -0.082 0.000 2.583 987 c HN 0.987 nan 8.230 nan 0.000 0.615 988 G N 1.147 109.912 108.800 -0.058 0.000 2.163 988 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.213 988 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.213 988 G C -0.002 174.869 174.900 -0.049 0.000 0.991 988 G CA 0.243 45.312 45.100 -0.050 0.000 0.653 988 G HN 0.416 nan 8.290 nan 0.000 0.518 989 T N 2.228 116.750 114.554 -0.052 0.000 2.728 989 T HA 0.466 4.816 4.350 -0.001 0.000 0.296 989 T C -0.427 174.242 174.700 -0.053 0.000 0.940 989 T CA -0.419 61.651 62.100 -0.050 0.000 1.013 989 T CB 1.771 70.611 68.868 -0.047 0.000 0.912 989 T HN 0.061 nan 8.240 nan 0.000 0.484 990 P HA -0.068 nan 4.420 nan 0.000 0.216 990 P C 0.280 177.539 177.300 -0.069 0.000 1.150 990 P CA 0.392 63.453 63.100 -0.065 0.000 0.837 990 P CB 0.002 31.658 31.700 -0.074 0.000 0.786 991 E N -0.267 119.892 120.200 -0.067 0.000 1.344 991 E HA -0.247 4.103 4.350 -0.001 0.000 0.224 991 E C 0.420 177.003 176.600 -0.028 0.000 1.095 991 E CA 0.130 56.504 56.400 -0.044 0.000 0.705 991 E CB -0.209 29.477 29.700 -0.024 0.000 0.957 991 E HN 0.242 nan 8.360 nan 0.000 0.278 992 E N 0.419 120.585 120.200 -0.058 0.000 4.072 992 E HA 0.080 4.429 4.350 -0.001 0.000 0.247 992 E C -0.426 176.305 176.600 0.219 0.000 1.033 992 E CA 0.368 56.778 56.400 0.016 0.000 1.019 992 E CB -0.505 29.174 29.700 -0.036 0.000 2.662 992 E HN 0.694 nan 8.360 nan 0.000 0.514 993 H N 0.862 119.925 119.070 -0.011 0.000 1.968 993 H HA -0.123 4.433 4.556 -0.001 0.000 0.317 993 H C -0.560 174.775 175.328 0.012 0.000 0.854 993 H CA 0.285 56.331 56.048 -0.004 0.000 1.048 993 H CB -1.840 27.916 29.762 -0.010 0.000 1.569 993 H HN 0.213 nan 8.280 nan 0.000 0.301 994 T N 0.112 114.735 114.554 0.115 0.000 2.858 994 T HA 0.559 4.908 4.350 -0.001 0.000 0.285 994 T C -0.290 174.441 174.700 0.052 0.000 1.052 994 T CA -1.195 60.943 62.100 0.062 0.000 1.009 994 T CB 2.671 71.578 68.868 0.065 0.000 1.241 994 T HN 0.600 nan 8.240 nan 0.000 0.542 995 Q N 0.219 120.052 119.800 0.054 0.000 2.306 995 Q HA 0.454 4.794 4.340 -0.001 0.000 0.265 995 Q C -0.665 175.355 176.000 0.033 0.000 1.022 995 Q CA -1.025 54.803 55.803 0.042 0.000 0.853 995 Q CB 2.225 30.992 28.738 0.049 0.000 1.327 995 Q HN 0.633 nan 8.270 nan 0.000 0.449 996 K N 1.639 122.048 120.400 0.014 0.000 2.484 996 K HA 0.059 4.379 4.320 -0.001 0.000 0.280 996 K C -0.999 175.601 176.600 -0.001 0.000 1.013 996 K CA -0.158 56.130 56.287 0.001 0.000 1.029 996 K CB 0.339 32.830 32.500 -0.016 0.000 0.902 996 K HN 0.411 nan 8.250 nan 0.000 0.481 997 L N 4.907 126.128 121.223 -0.004 0.000 2.262 997 L HA 0.273 4.613 4.340 -0.001 0.000 0.288 997 L C -1.186 175.647 176.870 -0.062 0.000 1.035 997 L CA -0.120 54.710 54.840 -0.017 0.000 0.820 997 L CB 1.181 43.244 42.059 0.007 0.000 1.204 997 L HN 0.601 nan 8.230 nan 0.000 0.424 998 D N 3.524 123.879 120.400 -0.075 0.000 2.454 998 D HA 0.156 4.796 4.640 -0.001 0.000 0.225 998 D C 1.146 177.344 176.300 -0.170 0.000 1.081 998 D CA -0.259 53.672 54.000 -0.114 0.000 0.864 998 D CB 1.239 42.014 40.800 -0.042 0.000 1.040 998 D HN 0.385 nan 8.370 nan 0.000 0.517 999 V N 1.598 121.314 119.914 -0.329 0.000 2.568 999 V HA -0.214 3.906 4.120 -0.001 0.000 0.253 999 V C 2.107 177.864 176.094 -0.561 0.000 1.072 999 V CA 1.208 63.131 62.300 -0.629 0.000 1.084 999 V CB -1.097 30.084 31.823 -1.071 0.000 0.676 999 V HN 0.629 nan 8.190 nan 0.000 0.469 1000 c N 0.503 118.911 118.600 -0.320 0.000 2.432 1000 c HA 0.006 4.575 4.570 -0.001 0.000 0.282 1000 c C 2.210 176.180 174.090 -0.200 0.000 1.388 1000 c CA 1.311 57.520 56.329 -0.202 0.000 1.777 1000 c CB -1.729 40.655 42.510 -0.210 0.000 1.882 1000 c HN 0.768 nan 8.230 nan 0.000 0.520 1001 H N -0.824 118.211 119.070 -0.058 0.000 2.549 1001 H HA 0.247 4.802 4.556 -0.001 0.000 0.279 1001 H C 1.753 177.109 175.328 0.047 0.000 1.018 1001 H CA 0.025 56.084 56.048 0.018 0.000 1.175 1001 H CB 0.044 29.801 29.762 -0.010 0.000 1.485 1001 H HN 0.356 nan 8.280 nan 0.000 0.543 1002 L N -0.103 121.173 121.223 0.088 0.000 2.141 1002 L HA -0.046 4.294 4.340 -0.001 0.000 0.209 1002 L C 0.190 177.202 176.870 0.237 0.000 1.094 1002 L CA 0.921 55.843 54.840 0.137 0.000 0.763 1002 L CB 0.051 42.161 42.059 0.085 0.000 0.908 1002 L HN 0.206 nan 8.230 nan 0.000 0.437 1003 L N -0.028 121.297 121.223 0.170 0.000 2.331 1003 L HA 0.390 4.729 4.340 -0.001 0.000 0.275 1003 L C -2.088 174.835 176.870 0.089 0.000 1.022 1003 L CA -2.050 52.823 54.840 0.055 0.000 0.812 1003 L CB 1.355 43.225 42.059 -0.314 0.000 1.257 1003 L HN -0.202 nan 8.230 nan 0.000 0.435 1004 P HA 0.117 nan 4.420 nan 0.000 0.274 1004 P C -0.827 176.590 177.300 0.195 0.000 1.256 1004 P CA -0.240 62.934 63.100 0.124 0.000 0.795 1004 P CB 0.377 32.126 31.700 0.081 0.000 1.038 1005 N N -3.179 115.618 118.700 0.163 0.000 2.754 1005 N HA -0.151 4.589 4.740 -0.001 0.000 0.248 1005 N C 0.025 175.624 175.510 0.148 0.000 1.093 1005 N CA 0.115 53.250 53.050 0.141 0.000 0.699 1005 N CB -1.996 36.563 38.487 0.121 0.000 1.016 1005 N HN 0.266 nan 8.380 nan 0.000 0.552 1006 V N -0.029 119.931 119.914 0.078 0.000 2.585 1006 V HA 0.382 4.501 4.120 -0.001 0.000 0.296 1006 V C 1.192 177.191 176.094 -0.159 0.000 1.035 1006 V CA 1.146 63.317 62.300 -0.215 0.000 1.084 1006 V CB 1.205 32.800 31.823 -0.380 0.000 0.953 1006 V HN 0.425 nan 8.190 nan 0.000 0.483 1007 A N 6.959 129.661 122.820 -0.195 0.000 2.259 1007 A HA 0.480 4.799 4.320 -0.001 0.000 0.213 1007 A C 0.959 178.505 177.584 -0.063 0.000 1.209 1007 A CA -0.001 51.982 52.037 -0.089 0.000 0.910 1007 A CB 0.247 19.212 19.000 -0.058 0.000 0.946 1007 A HN 0.773 nan 8.150 nan 0.000 0.497 1008 R N -1.559 118.874 120.500 -0.111 0.000 2.629 1008 R HA 0.493 4.833 4.340 -0.001 0.000 0.266 1008 R C -2.267 173.998 176.300 -0.058 0.000 1.051 1008 R CA -0.342 55.752 56.100 -0.011 0.000 0.895 1008 R CB 1.620 31.934 30.300 0.024 0.000 1.246 1008 R HN 0.279 nan 8.270 nan 0.000 0.459 1009 c N 2.787 121.392 118.600 0.008 0.000 2.431 1009 c HA 0.613 5.183 4.570 -0.001 0.000 0.321 1009 c C -1.096 173.063 174.090 0.116 0.000 1.202 1009 c CA -0.220 56.117 56.329 0.012 0.000 1.398 1009 c CB 1.219 43.692 42.510 -0.062 0.000 2.047 1009 c HN 0.930 nan 8.230 nan 0.000 0.465 1010 E N 2.829 123.132 120.200 0.171 0.000 2.248 1010 E HA 0.442 4.792 4.350 -0.001 0.000 0.267 1010 E C -0.862 175.906 176.600 0.281 0.000 0.877 1010 E CA -0.526 55.998 56.400 0.206 0.000 0.759 1010 E CB 1.709 31.504 29.700 0.157 0.000 1.182 1010 E HN 0.658 nan 8.360 nan 0.000 0.418 1011 R N 1.610 122.259 120.500 0.249 0.000 2.390 1011 R HA 0.330 4.670 4.340 -0.001 0.000 0.291 1011 R C -0.474 175.862 176.300 0.060 0.000 1.070 1011 R CA 0.122 56.299 56.100 0.130 0.000 1.014 1011 R CB 0.590 30.940 30.300 0.083 0.000 1.007 1011 R HN 0.685 nan 8.270 nan 0.000 0.466 1012 T N -0.303 114.261 114.554 0.016 0.000 2.888 1012 T HA 0.351 4.700 4.350 -0.001 0.000 0.288 1012 T C 0.092 174.776 174.700 -0.026 0.000 1.063 1012 T CA -0.772 61.357 62.100 0.047 0.000 1.010 1012 T CB 1.346 70.311 68.868 0.163 0.000 1.214 1012 T HN 0.619 nan 8.240 nan 0.000 0.533 1013 T N 0.139 114.681 114.554 -0.020 0.000 2.791 1013 T HA 0.201 4.550 4.350 -0.001 0.000 0.323 1013 T C 1.608 176.226 174.700 -0.137 0.000 1.082 1013 T CA -0.679 61.386 62.100 -0.060 0.000 1.084 1013 T CB -0.082 68.768 68.868 -0.030 0.000 0.992 1013 T HN 0.565 nan 8.240 nan 0.000 0.547 1014 L N 1.143 122.269 121.223 -0.162 0.000 2.353 1014 L HA -0.041 4.299 4.340 -0.001 0.000 0.220 1014 L C 2.824 179.390 176.870 -0.507 0.000 1.133 1014 L CA 1.407 56.080 54.840 -0.278 0.000 0.798 1014 L CB -1.087 40.896 42.059 -0.127 0.000 0.922 1014 L HN 0.976 nan 8.230 nan 0.000 0.445 1015 T N -4.987 109.378 114.554 -0.314 0.000 3.100 1015 T HA 0.019 4.368 4.350 -0.001 0.000 0.253 1015 T C 0.742 175.342 174.700 -0.168 0.000 1.118 1015 T CA -0.208 61.745 62.100 -0.246 0.000 1.058 1015 T CB -0.106 68.744 68.868 -0.030 0.000 0.953 1015 T HN 0.199 nan 8.240 nan 0.000 0.515 1016 F N -0.796 119.166 119.950 0.021 0.000 2.794 1016 F HA -0.191 4.336 4.527 -0.001 0.000 0.335 1016 F C 1.040 176.841 175.800 0.002 0.000 0.653 1016 F CA -0.119 57.887 58.000 0.009 0.000 1.266 1016 F CB -2.333 36.669 39.000 0.002 0.000 1.666 1016 F HN 0.230 nan 8.300 nan 0.000 0.314 1017 L N -0.879 120.419 121.223 0.125 0.000 2.446 1017 L HA 0.062 4.402 4.340 -0.001 0.000 0.219 1017 L C 1.143 178.037 176.870 0.040 0.000 1.116 1017 L CA 1.031 55.915 54.840 0.072 0.000 0.844 1017 L CB 0.078 42.162 42.059 0.042 0.000 0.970 1017 L HN 0.341 nan 8.230 nan 0.000 0.457 1018 Q N 0.542 120.365 119.800 0.039 0.000 2.285 1018 Q HA 0.263 4.602 4.340 -0.001 0.000 0.269 1018 Q C -1.199 174.821 176.000 0.033 0.000 1.030 1018 Q CA -0.713 55.102 55.803 0.019 0.000 0.788 1018 Q CB 1.822 30.556 28.738 -0.006 0.000 1.266 1018 Q HN 0.099 nan 8.270 nan 0.000 0.438 1019 N N 4.527 123.246 118.700 0.031 0.000 2.470 1019 N HA 0.169 4.909 4.740 -0.001 0.000 0.268 1019 N C 0.320 175.849 175.510 0.032 0.000 1.136 1019 N CA 0.231 53.307 53.050 0.043 0.000 0.961 1019 N CB 1.077 39.587 38.487 0.038 0.000 1.067 1019 N HN 0.643 nan 8.380 nan 0.000 0.468 1020 L N 0.453 121.700 121.223 0.039 0.000 2.537 1020 L HA 0.302 4.642 4.340 -0.001 0.000 0.224 1020 L C 0.580 177.478 176.870 0.047 0.000 1.065 1020 L CA 0.408 55.264 54.840 0.027 0.000 0.860 1020 L CB 0.358 42.421 42.059 0.008 0.000 1.086 1020 L HN 0.514 nan 8.230 nan 0.000 0.482 1021 E N -0.380 119.867 120.200 0.078 0.000 2.347 1021 E HA 0.123 4.472 4.350 -0.001 0.000 0.285 1021 E C -1.349 175.345 176.600 0.157 0.000 0.925 1021 E CA -0.510 55.951 56.400 0.102 0.000 0.779 1021 E CB 1.527 31.279 29.700 0.088 0.000 1.233 1021 E HN 0.085 nan 8.360 nan 0.000 0.414 1022 H N 6.191 125.286 119.070 0.042 0.000 2.652 1022 H HA 0.313 4.868 4.556 -0.001 0.000 0.298 1022 H C -0.799 174.552 175.328 0.039 0.000 1.076 1022 H CA -0.510 55.559 56.048 0.036 0.000 1.360 1022 H CB 0.644 30.418 29.762 0.020 0.000 1.421 1022 H HN 0.389 nan 8.280 nan 0.000 0.464 1023 L N 5.439 126.546 121.223 -0.194 0.000 2.276 1023 L HA 0.099 4.438 4.340 -0.001 0.000 0.286 1023 L C 0.173 176.889 176.870 -0.257 0.000 1.061 1023 L CA -0.849 53.899 54.840 -0.154 0.000 0.807 1023 L CB 1.000 43.036 42.059 -0.037 0.000 1.177 1023 L HN 0.643 nan 8.230 nan 0.000 0.429 1024 D N 2.938 123.234 120.400 -0.174 0.000 2.493 1024 D HA 0.108 4.748 4.640 -0.001 0.000 0.240 1024 D C 1.208 177.456 176.300 -0.086 0.000 1.142 1024 D CA 1.305 55.225 54.000 -0.133 0.000 0.872 1024 D CB 1.088 41.844 40.800 -0.073 0.000 1.173 1024 D HN 0.844 nan 8.370 nan 0.000 0.467 1025 G N 3.080 111.839 108.800 -0.067 0.000 2.166 1025 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.260 1025 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.260 1025 G C 0.759 175.682 174.900 0.038 0.000 0.986 1025 G CA 0.436 45.529 45.100 -0.012 0.000 0.683 1025 G HN 0.653 nan 8.290 nan 0.000 0.527 1026 M N -2.698 116.885 119.600 -0.028 0.000 2.461 1026 M HA -0.188 4.291 4.480 -0.001 0.000 0.203 1026 M C 0.016 176.329 176.300 0.021 0.000 0.428 1026 M CA 0.885 56.162 55.300 -0.038 0.000 0.509 1026 M CB -1.873 30.684 32.600 -0.072 0.000 1.851 1026 M HN 0.234 nan 8.290 nan 0.000 0.834 1027 V N 0.617 120.533 119.914 0.002 0.000 2.417 1027 V HA 0.752 4.871 4.120 -0.001 0.000 0.291 1027 V C 0.529 176.539 176.094 -0.140 0.000 1.024 1027 V CA -0.419 61.877 62.300 -0.007 0.000 0.861 1027 V CB 1.886 33.702 31.823 -0.012 0.000 0.985 1027 V HN 0.399 nan 8.190 nan 0.000 0.436 1028 A N 7.747 130.399 122.820 -0.281 0.000 2.279 1028 A HA 0.750 5.069 4.320 -0.001 0.000 0.306 1028 A C -2.412 174.907 177.584 -0.441 0.000 1.300 1028 A CA -1.413 50.230 52.037 -0.656 0.000 0.925 1028 A CB 0.044 18.333 19.000 -1.185 0.000 1.152 1028 A HN 0.624 nan 8.150 nan 0.000 0.544 1029 P HA 0.156 nan 4.420 nan 0.000 0.269 1029 P C -0.081 177.205 177.300 -0.023 0.000 1.215 1029 P CA -0.100 62.956 63.100 -0.072 0.000 0.780 1029 P CB 0.544 32.260 31.700 0.027 0.000 0.898 1030 E N -0.192 120.010 120.200 0.004 0.000 2.371 1030 E HA 0.250 4.600 4.350 -0.001 0.000 0.257 1030 E C 0.030 176.681 176.600 0.085 0.000 1.134 1030 E CA -0.829 55.600 56.400 0.049 0.000 0.919 1030 E CB 0.521 30.233 29.700 0.020 0.000 1.025 1030 E HN 0.288 nan 8.360 nan 0.000 0.438 1031 V N -1.208 118.760 119.914 0.091 0.000 2.997 1031 V HA 0.314 4.433 4.120 -0.001 0.000 0.311 1031 V C 0.183 176.279 176.094 0.004 0.000 1.066 1031 V CA -1.106 61.233 62.300 0.065 0.000 1.039 1031 V CB 1.185 33.051 31.823 0.072 0.000 1.081 1031 V HN 0.737 nan 8.190 nan 0.000 0.467 1032 c N 3.000 121.596 118.600 -0.006 0.000 2.656 1032 c HA 0.397 4.967 4.570 -0.001 0.000 0.391 1032 c C -2.041 171.992 174.090 -0.095 0.000 1.300 1032 c CA -0.262 56.045 56.329 -0.037 0.000 2.302 1032 c CB -0.100 42.406 42.510 -0.007 0.000 2.655 1032 c HN 0.818 nan 8.230 nan 0.000 0.656 1033 P HA 0.024 nan 4.420 nan 0.000 0.262 1033 P C 0.270 177.411 177.300 -0.266 0.000 1.182 1033 P CA 1.038 63.999 63.100 -0.232 0.000 0.761 1033 P CB 0.167 31.711 31.700 -0.260 0.000 0.795 1034 M N -1.013 118.379 119.600 -0.346 0.000 2.939 1034 M HA -0.175 4.304 4.480 -0.001 0.000 0.194 1034 M C -0.124 176.162 176.300 -0.024 0.000 0.617 1034 M CA 1.351 56.431 55.300 -0.366 0.000 0.734 1034 M CB -1.994 30.071 32.600 -0.891 0.000 2.637 1034 M HN 0.411 nan 8.290 nan 0.000 0.316 1035 E N 0.470 120.646 120.200 -0.039 0.000 2.227 1035 E HA 0.720 5.070 4.350 -0.001 0.000 0.268 1035 E C 0.008 176.662 176.600 0.089 0.000 0.990 1035 E CA -0.073 56.389 56.400 0.102 0.000 0.856 1035 E CB 1.570 31.301 29.700 0.052 0.000 1.159 1035 E HN 0.144 nan 8.360 nan 0.000 0.401 1036 T N 0.523 115.156 114.554 0.132 0.000 2.921 1036 T HA 0.693 5.043 4.350 -0.001 0.000 0.297 1036 T C -0.888 173.821 174.700 0.015 0.000 1.013 1036 T CA -0.654 61.532 62.100 0.143 0.000 0.990 1036 T CB 1.636 70.612 68.868 0.179 0.000 1.023 1036 T HN 0.515 nan 8.240 nan 0.000 0.447 1037 A N 1.825 124.652 122.820 0.012 0.000 2.527 1037 A HA 1.013 5.332 4.320 -0.001 0.000 0.293 1037 A C -1.103 176.367 177.584 -0.190 0.000 1.117 1037 A CA -0.931 51.012 52.037 -0.157 0.000 0.723 1037 A CB 1.527 20.373 19.000 -0.256 0.000 1.313 1037 A HN 1.135 nan 8.150 nan 0.000 0.411 1038 A N 0.032 122.650 122.820 -0.336 0.000 2.365 1038 A HA 0.835 5.155 4.320 -0.001 0.000 0.318 1038 A C -1.605 175.802 177.584 -0.295 0.000 1.091 1038 A CA -0.359 51.596 52.037 -0.136 0.000 0.763 1038 A CB 0.799 19.756 19.000 -0.072 0.000 1.248 1038 A HN 0.885 nan 8.150 nan 0.000 0.442 1039 Y N -0.090 120.432 120.300 0.370 0.000 2.524 1039 Y HA 0.578 5.128 4.550 -0.001 0.000 0.347 1039 Y C -0.290 175.788 175.900 0.297 0.000 1.005 1039 Y CA -0.914 57.353 58.100 0.279 0.000 1.025 1039 Y CB 2.480 41.056 38.460 0.195 0.000 1.275 1039 Y HN 0.415 nan 8.280 nan 0.000 0.460 1040 V N 2.334 122.453 119.914 0.340 0.000 2.444 1040 V HA 0.493 4.613 4.120 -0.001 0.000 0.294 1040 V C -0.642 175.536 176.094 0.140 0.000 1.022 1040 V CA -0.924 61.470 62.300 0.156 0.000 0.850 1040 V CB 1.743 33.593 31.823 0.044 0.000 0.992 1040 V HN 0.831 nan 8.190 nan 0.000 0.426 1041 S N 3.500 119.288 115.700 0.147 0.000 2.508 1041 S HA 0.719 5.188 4.470 -0.001 0.000 0.284 1041 S C -0.215 174.308 174.600 -0.127 0.000 1.192 1041 S CA -0.590 57.612 58.200 0.005 0.000 1.070 1041 S CB 1.583 64.852 63.200 0.116 0.000 1.004 1041 S HN 0.567 nan 8.310 nan 0.000 0.493 1042 S N 2.417 117.924 115.700 -0.323 0.000 2.501 1042 S HA 0.532 5.002 4.470 -0.001 0.000 0.301 1042 S C -0.906 173.381 174.600 -0.522 0.000 1.096 1042 S CA -0.779 57.268 58.200 -0.256 0.000 1.063 1042 S CB 0.523 63.653 63.200 -0.117 0.000 1.042 1042 S HN 0.791 nan 8.310 nan 0.000 0.494 1043 H N 0.893 119.954 119.070 -0.015 0.000 2.667 1043 H HA 0.256 4.811 4.556 -0.001 0.000 0.353 1043 H C 0.197 175.521 175.328 -0.006 0.000 1.072 1043 H CA -0.544 55.497 56.048 -0.011 0.000 1.214 1043 H CB 1.789 31.547 29.762 -0.007 0.000 1.600 1043 H HN 0.662 nan 8.280 nan 0.000 0.527 1044 S N 1.456 117.204 115.700 0.079 0.000 2.527 1044 S HA -0.010 4.459 4.470 -0.001 0.000 0.222 1044 S C 0.928 175.563 174.600 0.059 0.000 0.985 1044 S CA -0.265 57.965 58.200 0.050 0.000 0.921 1044 S CB 0.084 63.301 63.200 0.028 0.000 0.772 1044 S HN 0.518 nan 8.310 nan 0.000 0.529 1045 S N 0.000 115.751 115.700 0.084 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.237 58.200 0.062 0.000 1.107 1045 S CB 0.000 63.228 63.200 0.047 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517