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 1tqw_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.105 174.090 0.025 0.000 1.270 31 c CA 0.000 56.339 56.329 0.017 0.000 1.963 31 c CB 0.000 42.507 42.510 -0.005 0.000 2.134 32 Q N 1.344 121.175 119.800 0.052 0.000 2.392 32 Q HA 0.155 4.494 4.340 -0.001 0.000 0.262 32 Q C -0.269 175.763 176.000 0.054 0.000 1.003 32 Q CA 0.329 56.177 55.803 0.076 0.000 0.888 32 Q CB 0.819 29.641 28.738 0.140 0.000 1.260 32 Q HN 0.648 nan 8.270 nan 0.000 0.435 33 D N 1.581 122.015 120.400 0.057 0.000 2.316 33 D HA 0.073 4.713 4.640 -0.001 0.000 0.245 33 D C 0.505 176.854 176.300 0.082 0.000 1.171 33 D CA -0.255 53.760 54.000 0.024 0.000 0.856 33 D CB 1.314 42.130 40.800 0.025 0.000 1.090 33 D HN 0.382 nan 8.370 nan 0.000 0.476 34 V N 2.193 122.109 119.914 0.003 0.000 3.649 34 V HA 0.075 4.194 4.120 -0.001 0.000 0.275 34 V C 1.166 177.315 176.094 0.092 0.000 1.281 34 V CA 0.170 62.531 62.300 0.101 0.000 1.143 34 V CB 0.161 31.860 31.823 -0.206 0.000 0.892 34 V HN 0.383 nan 8.190 nan 0.000 0.441 35 V N 0.084 119.962 119.914 -0.059 0.000 2.806 35 V HA 0.088 4.208 4.120 -0.001 0.000 0.239 35 V C 2.292 178.373 176.094 -0.022 0.000 1.113 35 V CA 1.295 63.519 62.300 -0.127 0.000 1.137 35 V CB -0.040 31.656 31.823 -0.211 0.000 0.865 35 V HN 0.494 nan 8.190 nan 0.000 0.482 36 Q N -0.380 119.452 119.800 0.054 0.000 2.356 36 Q HA 0.134 4.474 4.340 -0.001 0.000 0.205 36 Q C -0.471 175.613 176.000 0.140 0.000 0.901 36 Q CA 0.211 56.064 55.803 0.083 0.000 0.938 36 Q CB 0.635 29.393 28.738 0.034 0.000 1.081 36 Q HN 0.478 nan 8.270 nan 0.000 0.517 37 D N 1.341 121.857 120.400 0.192 0.000 2.460 37 D HA 0.167 4.807 4.640 -0.001 0.000 0.232 37 D C -0.720 175.689 176.300 0.181 0.000 1.079 37 D CA -0.215 53.881 54.000 0.160 0.000 0.864 37 D CB 1.889 42.764 40.800 0.124 0.000 1.048 37 D HN -0.153 nan 8.370 nan 0.000 0.523 38 V N 4.461 124.452 119.914 0.129 0.000 2.446 38 V HA 0.114 4.234 4.120 -0.001 0.000 0.276 38 V C -1.851 174.219 176.094 -0.040 0.000 1.030 38 V CA -1.088 61.205 62.300 -0.011 0.000 1.033 38 V CB 0.414 32.239 31.823 0.004 0.000 0.993 38 V HN 0.284 nan 8.190 nan 0.000 0.477 39 P HA 0.095 nan 4.420 nan 0.000 0.268 39 P C -0.476 176.795 177.300 -0.048 0.000 1.205 39 P CA -0.186 62.881 63.100 -0.054 0.000 0.771 39 P CB 0.372 32.023 31.700 -0.082 0.000 0.858 40 N N 2.649 121.336 118.700 -0.022 0.000 2.462 40 N HA 0.332 5.072 4.740 -0.001 0.000 0.242 40 N C -1.054 174.447 175.510 -0.015 0.000 1.010 40 N CA -0.461 52.579 53.050 -0.016 0.000 0.939 40 N CB 0.066 38.552 38.487 -0.002 0.000 1.127 40 N HN 0.114 nan 8.380 nan 0.000 0.509 41 V N 0.448 120.346 119.914 -0.027 0.000 2.960 41 V HA 0.540 4.659 4.120 -0.001 0.000 0.315 41 V C 0.572 176.651 176.094 -0.025 0.000 1.087 41 V CA -0.735 61.553 62.300 -0.021 0.000 0.982 41 V CB 2.045 33.844 31.823 -0.040 0.000 1.039 41 V HN 0.402 nan 8.190 nan 0.000 0.437 42 D N 0.952 121.344 120.400 -0.014 0.000 2.149 42 D HA 0.026 4.665 4.640 -0.001 0.000 0.201 42 D C 0.470 176.740 176.300 -0.051 0.000 0.972 42 D CA 1.575 55.563 54.000 -0.019 0.000 0.835 42 D CB 0.511 41.316 40.800 0.008 0.000 0.966 42 D HN 0.419 nan 8.370 nan 0.000 0.476 43 V N 1.553 121.414 119.914 -0.087 0.000 2.482 43 V HA 0.202 4.321 4.120 -0.001 0.000 0.295 43 V C -0.375 175.624 176.094 -0.160 0.000 1.026 43 V CA -0.741 61.477 62.300 -0.136 0.000 0.856 43 V CB 2.390 34.086 31.823 -0.211 0.000 1.001 43 V HN -0.083 nan 8.190 nan 0.000 0.424 44 Q N 4.600 124.319 119.800 -0.136 0.000 2.341 44 Q HA 0.435 4.774 4.340 -0.001 0.000 0.268 44 Q C 0.433 176.337 176.000 -0.159 0.000 1.013 44 Q CA -0.690 55.026 55.803 -0.146 0.000 0.798 44 Q CB 1.881 30.555 28.738 -0.107 0.000 1.253 44 Q HN 0.670 nan 8.270 nan 0.000 0.457 45 M N 3.029 122.488 119.600 -0.236 0.000 2.213 45 M HA -0.160 4.320 4.480 -0.001 0.000 0.263 45 M C 1.608 177.807 176.300 -0.168 0.000 1.062 45 M CA 0.967 56.114 55.300 -0.255 0.000 1.105 45 M CB -0.806 31.506 32.600 -0.480 0.000 1.385 45 M HN 0.566 nan 8.290 nan 0.000 0.417 46 L N 0.658 121.777 121.223 -0.174 0.000 2.093 46 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 46 L C 2.471 179.338 176.870 -0.006 0.000 1.085 46 L CA 1.788 56.560 54.840 -0.114 0.000 0.755 46 L CB -0.633 41.334 42.059 -0.153 0.000 0.904 46 L HN 0.263 nan 8.230 nan 0.000 0.435 47 E N -0.399 119.783 120.200 -0.030 0.000 2.072 47 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 47 E C 2.186 178.799 176.600 0.021 0.000 0.985 47 E CA 1.377 57.772 56.400 -0.008 0.000 0.801 47 E CB -0.272 29.408 29.700 -0.033 0.000 0.750 47 E HN 0.442 nan 8.360 nan 0.000 0.452 48 L N 0.488 121.723 121.223 0.021 0.000 2.017 48 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 48 L C 2.279 179.214 176.870 0.108 0.000 1.073 48 L CA 1.671 56.530 54.840 0.032 0.000 0.745 48 L CB -1.004 41.060 42.059 0.009 0.000 0.894 48 L HN 0.113 nan 8.230 nan 0.000 0.432 49 Y N -0.002 120.299 120.300 0.001 0.000 2.207 49 Y HA -0.261 4.289 4.550 -0.001 0.000 0.287 49 Y C 2.571 178.562 175.900 0.152 0.000 1.156 49 Y CA 1.734 59.923 58.100 0.148 0.000 1.182 49 Y CB -0.684 37.867 38.460 0.151 0.000 0.979 49 Y HN 0.365 nan 8.280 nan 0.000 0.521 50 D N -0.553 119.958 120.400 0.185 0.000 2.144 50 D HA -0.121 4.519 4.640 -0.001 0.000 0.200 50 D C 2.089 178.429 176.300 0.067 0.000 0.978 50 D CA 1.188 55.251 54.000 0.105 0.000 0.833 50 D CB 0.047 40.884 40.800 0.062 0.000 0.961 50 D HN 0.232 nan 8.370 nan 0.000 0.470 51 R N -0.966 119.555 120.500 0.036 0.000 2.127 51 R HA 0.144 4.484 4.340 -0.001 0.000 0.217 51 R C 0.915 177.193 176.300 -0.036 0.000 1.074 51 R CA 0.062 56.159 56.100 -0.005 0.000 0.991 51 R CB 0.058 30.341 30.300 -0.028 0.000 0.895 51 R HN 0.238 nan 8.270 nan 0.000 0.450 52 M N 0.584 120.130 119.600 -0.091 0.000 2.252 52 M HA -0.033 4.447 4.480 -0.001 0.000 0.333 52 M C 0.821 177.071 176.300 -0.085 0.000 1.111 52 M CA 0.636 55.789 55.300 -0.245 0.000 1.140 52 M CB 1.304 33.474 32.600 -0.717 0.000 1.538 52 M HN 0.019 nan 8.290 nan 0.000 0.448 53 S N 1.368 117.008 115.700 -0.099 0.000 2.503 53 S HA 0.151 4.621 4.470 -0.001 0.000 0.215 53 S C 0.158 174.879 174.600 0.201 0.000 1.003 53 S CA -0.228 58.012 58.200 0.067 0.000 0.910 53 S CB 0.028 63.239 63.200 0.018 0.000 0.790 53 S HN 0.723 nan 8.310 nan 0.000 0.514 54 F N 1.255 121.137 119.950 -0.114 0.000 3.093 54 F HA -0.183 4.344 4.527 -0.001 0.000 0.287 54 F C 0.183 175.995 175.800 0.021 0.000 0.882 54 F CA 0.143 58.083 58.000 -0.101 0.000 1.063 54 F CB -1.669 37.246 39.000 -0.142 0.000 1.097 54 F HN -0.009 nan 8.300 nan 0.000 0.604 55 K N 1.105 121.586 120.400 0.135 0.000 2.350 55 K HA 0.157 4.476 4.320 -0.001 0.000 0.279 55 K C 0.322 177.034 176.600 0.186 0.000 1.027 55 K CA -0.150 56.220 56.287 0.139 0.000 0.969 55 K CB 0.604 33.147 32.500 0.072 0.000 0.954 55 K HN 0.088 nan 8.250 nan 0.000 0.474 56 D N 3.705 124.229 120.400 0.206 0.000 2.639 56 D HA 0.124 4.764 4.640 -0.001 0.000 0.233 56 D C -0.175 176.174 176.300 0.081 0.000 1.161 56 D CA -0.404 53.725 54.000 0.214 0.000 1.003 56 D CB -0.465 40.473 40.800 0.231 0.000 1.034 56 D HN 0.513 nan 8.370 nan 0.000 0.514 57 I N -0.840 119.765 120.570 0.058 0.000 2.577 57 I HA 0.434 4.604 4.170 -0.001 0.000 0.305 57 I C -0.213 175.896 176.117 -0.013 0.000 0.986 57 I CA -0.795 60.516 61.300 0.018 0.000 1.189 57 I CB 1.634 39.645 38.000 0.017 0.000 1.355 57 I HN -0.114 nan 8.210 nan 0.000 0.476 58 D N 4.561 124.951 120.400 -0.018 0.000 2.363 58 D HA 0.154 4.793 4.640 -0.001 0.000 0.263 58 D C 0.946 177.231 176.300 -0.025 0.000 1.258 58 D CA 0.144 54.127 54.000 -0.029 0.000 0.907 58 D CB 1.346 42.136 40.800 -0.016 0.000 1.107 58 D HN 0.799 nan 8.370 nan 0.000 0.495 59 G N 2.471 111.238 108.800 -0.056 0.000 2.985 59 G HA2 0.416 4.376 3.960 -0.001 0.000 0.209 59 G HA3 0.416 4.376 3.960 -0.001 0.000 0.209 59 G C 0.902 175.799 174.900 -0.006 0.000 1.165 59 G CA 0.377 45.446 45.100 -0.051 0.000 0.776 59 G HN 0.919 nan 8.290 nan 0.000 0.541 60 G N -0.619 108.183 108.800 0.003 0.000 2.464 60 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.216 60 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.216 60 G C 1.190 176.107 174.900 0.029 0.000 1.186 60 G CA 0.707 45.822 45.100 0.023 0.000 1.010 60 G HN 1.092 nan 8.290 nan 0.000 0.585 61 V N -3.563 116.368 119.914 0.027 0.000 2.407 61 V HA 0.080 4.200 4.120 -0.001 0.000 0.248 61 V C 1.472 177.590 176.094 0.040 0.000 1.055 61 V CA 2.400 64.700 62.300 -0.001 0.000 1.049 61 V CB -0.577 31.212 31.823 -0.056 0.000 0.662 61 V HN 1.387 nan 8.190 nan 0.000 0.455 62 W N 2.668 123.872 121.300 -0.159 0.000 2.422 62 W HA 0.419 5.078 4.660 -0.001 0.000 0.349 62 W C 1.133 177.609 176.519 -0.073 0.000 1.062 62 W CA -1.680 55.558 57.345 -0.178 0.000 1.497 62 W CB 0.247 29.570 29.460 -0.228 0.000 1.407 62 W HN 0.072 nan 8.180 nan 0.000 0.393 63 K N 2.760 123.241 120.400 0.134 0.000 2.147 63 K HA -0.165 4.154 4.320 -0.001 0.000 0.205 63 K C 0.795 177.314 176.600 -0.136 0.000 1.049 63 K CA 1.393 57.668 56.287 -0.020 0.000 0.936 63 K CB 0.188 32.677 32.500 -0.019 0.000 0.722 63 K HN 0.564 nan 8.250 nan 0.000 0.446 64 Q N -0.752 118.923 119.800 -0.208 0.000 2.172 64 Q HA 0.163 4.502 4.340 -0.001 0.000 0.217 64 Q C 0.733 176.382 176.000 -0.585 0.000 0.832 64 Q CA -0.377 55.285 55.803 -0.234 0.000 1.010 64 Q CB 1.365 30.104 28.738 0.002 0.000 1.133 64 Q HN 0.210 nan 8.270 nan 0.000 0.489 65 G N 0.646 108.678 108.800 -1.279 0.000 3.364 65 G HA2 0.535 4.494 3.960 -0.001 0.000 0.191 65 G HA3 0.535 4.494 3.960 -0.001 0.000 0.191 65 G C -1.470 173.114 174.900 -0.526 0.000 1.352 65 G CA -0.292 43.758 45.100 -1.751 0.000 0.758 65 G HN 0.355 nan 8.290 nan 0.000 0.730 66 W N -1.362 119.641 121.300 -0.495 0.000 2.959 66 W HA 0.632 5.292 4.660 -0.000 0.000 0.358 66 W C -1.559 175.037 176.519 0.130 0.000 1.228 66 W CA -1.159 56.127 57.345 -0.099 0.000 1.183 66 W CB 0.643 30.062 29.460 -0.068 0.000 1.467 66 W HN 0.190 nan 8.180 nan 0.000 0.578 67 N N 2.153 120.994 118.700 0.236 0.000 2.402 67 N HA 0.227 4.967 4.740 -0.001 0.000 0.259 67 N C -0.284 175.352 175.510 0.210 0.000 1.167 67 N CA 0.026 53.170 53.050 0.156 0.000 0.949 67 N CB 0.296 38.879 38.487 0.159 0.000 1.212 67 N HN 0.414 nan 8.380 nan 0.000 0.493 68 I N 1.892 122.493 120.570 0.052 0.000 2.588 68 I HA 0.024 4.194 4.170 -0.001 0.000 0.283 68 I C 0.884 177.153 176.117 0.254 0.000 1.119 68 I CA 0.337 61.740 61.300 0.171 0.000 1.419 68 I CB 0.552 38.602 38.000 0.084 0.000 1.394 68 I HN 0.116 nan 8.210 nan 0.000 0.562 69 K N 5.882 126.469 120.400 0.311 0.000 2.318 69 K HA 0.575 4.894 4.320 -0.001 0.000 0.249 69 K C -1.437 175.316 176.600 0.255 0.000 0.942 69 K CA -0.739 55.659 56.287 0.185 0.000 0.808 69 K CB 2.415 34.996 32.500 0.135 0.000 1.189 69 K HN 0.487 nan 8.250 nan 0.000 0.428 70 Y N -1.794 118.595 120.300 0.148 0.000 2.581 70 Y HA 0.408 4.958 4.550 -0.001 0.000 0.345 70 Y C -0.977 174.992 175.900 0.115 0.000 1.036 70 Y CA -1.525 56.663 58.100 0.146 0.000 1.042 70 Y CB 1.113 39.684 38.460 0.185 0.000 1.289 70 Y HN 0.382 nan 8.280 nan 0.000 0.471 71 D N 4.099 124.638 120.400 0.232 0.000 2.339 71 D HA 0.247 4.886 4.640 -0.001 0.000 0.241 71 D C -1.575 174.877 176.300 0.255 0.000 1.183 71 D CA -2.657 51.424 54.000 0.135 0.000 0.859 71 D CB 1.493 42.345 40.800 0.087 0.000 1.067 71 D HN 0.453 nan 8.370 nan 0.000 0.484 72 P HA -0.136 nan 4.420 nan 0.000 0.219 72 P C 1.390 178.832 177.300 0.236 0.000 1.146 72 P CA 0.743 64.038 63.100 0.324 0.000 0.808 72 P CB 0.326 32.155 31.700 0.214 0.000 0.779 73 L N -0.602 120.703 121.223 0.137 0.000 2.610 73 L HA 0.054 4.393 4.340 -0.001 0.000 0.232 73 L C 2.686 179.579 176.870 0.039 0.000 1.149 73 L CA 0.488 55.383 54.840 0.091 0.000 0.872 73 L CB -0.744 41.351 42.059 0.059 0.000 0.992 73 L HN -0.019 nan 8.230 nan 0.000 0.447 74 K N 0.637 121.018 120.400 -0.031 0.000 2.097 74 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 74 K C -0.088 176.318 176.600 -0.325 0.000 1.049 74 K CA 1.094 57.233 56.287 -0.246 0.000 0.933 74 K CB 0.095 32.334 32.500 -0.435 0.000 0.717 74 K HN 0.138 nan 8.250 nan 0.000 0.442 75 Y N 0.935 121.350 120.300 0.191 0.000 2.360 75 Y HA 0.240 4.790 4.550 -0.000 0.000 0.337 75 Y C 0.010 175.981 175.900 0.119 0.000 1.039 75 Y CA -1.164 57.037 58.100 0.169 0.000 1.109 75 Y CB 1.370 39.878 38.460 0.081 0.000 1.201 75 Y HN 0.240 nan 8.280 nan 0.000 0.458 76 N N -0.251 118.594 118.700 0.242 0.000 3.243 76 N HA 0.518 5.257 4.740 -0.001 0.000 0.280 76 N C 0.044 175.569 175.510 0.024 0.000 1.545 76 N CA -0.495 52.621 53.050 0.110 0.000 0.854 76 N CB 0.459 38.995 38.487 0.083 0.000 1.612 76 N HN 0.489 nan 8.380 nan 0.000 0.577 77 A N -1.276 121.463 122.820 -0.134 0.000 2.076 77 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 77 A C 0.814 178.264 177.584 -0.223 0.000 1.160 77 A CA 1.264 53.160 52.037 -0.235 0.000 0.653 77 A CB -1.040 17.741 19.000 -0.365 0.000 0.801 77 A HN 0.686 nan 8.150 nan 0.000 0.455 78 H N -2.799 116.326 119.070 0.093 0.000 2.551 78 H HA 0.159 4.714 4.556 -0.001 0.000 0.271 78 H C -0.355 175.074 175.328 0.168 0.000 0.984 78 H CA 0.665 56.772 56.048 0.098 0.000 1.164 78 H CB 0.081 29.891 29.762 0.079 0.000 1.437 78 H HN 0.710 nan 8.280 nan 0.000 0.550 79 H N 0.559 119.707 119.070 0.130 0.000 2.895 79 H HA 0.297 4.853 4.556 -0.000 0.000 0.282 79 H C -0.781 174.656 175.328 0.182 0.000 1.338 79 H CA -0.470 55.660 56.048 0.136 0.000 1.595 79 H CB 0.281 30.117 29.762 0.122 0.000 1.771 79 H HN -0.047 nan 8.280 nan 0.000 0.573 80 K N 2.198 122.543 120.400 -0.091 0.000 2.087 80 K HA 0.332 4.652 4.320 -0.001 0.000 0.255 80 K C -0.705 175.762 176.600 -0.222 0.000 0.988 80 K CA -1.289 54.941 56.287 -0.094 0.000 0.915 80 K CB 1.746 34.183 32.500 -0.105 0.000 1.043 80 K HN 0.233 nan 8.250 nan 0.000 0.457 81 L N 2.257 123.273 121.223 -0.346 0.000 2.281 81 L HA 0.170 4.509 4.340 -0.001 0.000 0.285 81 L C -0.855 175.791 176.870 -0.372 0.000 1.074 81 L CA 0.290 54.848 54.840 -0.469 0.000 0.817 81 L CB 0.244 41.794 42.059 -0.848 0.000 1.168 81 L HN 0.380 nan 8.230 nan 0.000 0.434 82 K N 4.706 124.904 120.400 -0.336 0.000 2.234 82 K HA 0.524 4.843 4.320 -0.001 0.000 0.277 82 K C -1.188 175.087 176.600 -0.542 0.000 1.038 82 K CA -0.627 55.398 56.287 -0.436 0.000 0.888 82 K CB 1.617 33.904 32.500 -0.355 0.000 1.091 82 K HN 0.406 nan 8.250 nan 0.000 0.467 83 V N 4.800 124.275 119.914 -0.732 0.000 2.417 83 V HA 0.375 4.495 4.120 -0.001 0.000 0.291 83 V C -0.814 174.756 176.094 -0.873 0.000 1.024 83 V CA -0.790 61.030 62.300 -0.800 0.000 0.861 83 V CB 0.698 31.859 31.823 -1.104 0.000 0.985 83 V HN 0.571 nan 8.190 nan 0.000 0.436 84 F N 3.594 123.293 119.950 -0.419 0.000 2.375 84 F HA 0.498 5.025 4.527 -0.001 0.000 0.361 84 F C 0.161 175.782 175.800 -0.299 0.000 1.117 84 F CA -0.763 57.048 58.000 -0.314 0.000 1.037 84 F CB 1.788 40.672 39.000 -0.194 0.000 1.192 84 F HN 0.192 nan 8.300 nan 0.000 0.452 85 V N 5.162 125.045 119.914 -0.052 0.000 2.385 85 V HA 0.264 4.384 4.120 -0.001 0.000 0.269 85 V C -0.186 176.011 176.094 0.171 0.000 1.043 85 V CA -0.600 61.732 62.300 0.053 0.000 0.906 85 V CB 1.252 33.173 31.823 0.164 0.000 0.995 85 V HN 0.430 nan 8.190 nan 0.000 0.467 86 V N 8.425 128.390 119.914 0.085 0.000 2.293 86 V HA 0.320 4.440 4.120 -0.001 0.000 0.275 86 V C -2.366 173.769 176.094 0.069 0.000 1.021 86 V CA -1.909 60.407 62.300 0.025 0.000 0.815 86 V CB 1.487 33.233 31.823 -0.129 0.000 1.025 86 V HN 0.722 nan 8.190 nan 0.000 0.448 87 P HA 0.350 nan 4.420 nan 0.000 0.271 87 P C -0.877 176.425 177.300 0.004 0.000 1.216 87 P CA 0.228 63.301 63.100 -0.045 0.000 0.776 87 P CB 0.393 31.860 31.700 -0.387 0.000 0.881 88 H N -1.195 117.875 119.070 0.001 0.000 2.990 88 H HA 0.789 5.344 4.556 -0.001 0.000 0.336 88 H C -1.513 173.919 175.328 0.173 0.000 1.306 88 H CA -1.105 54.850 56.048 -0.155 0.000 1.118 88 H CB 0.950 30.590 29.762 -0.204 0.000 1.856 88 H HN 0.197 nan 8.280 nan 0.000 0.538 89 S N 0.685 116.387 115.700 0.003 0.000 2.776 89 S HA 0.208 4.677 4.470 -0.001 0.000 0.284 89 S C -1.841 172.672 174.600 -0.146 0.000 1.160 89 S CA -0.665 57.573 58.200 0.063 0.000 1.051 89 S CB 0.179 63.585 63.200 0.343 0.000 1.037 89 S HN 0.835 nan 8.310 nan 0.000 0.485 90 H N 4.410 123.370 119.070 -0.183 0.000 2.864 90 H HA 0.417 4.973 4.556 -0.001 0.000 0.281 90 H C -0.103 174.816 175.328 -0.682 0.000 1.093 90 H CA 0.263 56.117 56.048 -0.323 0.000 1.453 90 H CB 0.227 29.840 29.762 -0.249 0.000 1.462 90 H HN 0.562 nan 8.280 nan 0.000 0.480 91 N N 5.646 123.703 118.700 -1.072 0.000 2.706 91 N HA 0.044 4.784 4.740 -0.001 0.000 0.240 91 N C -1.123 173.948 175.510 -0.732 0.000 1.039 91 N CA -0.577 51.691 53.050 -1.303 0.000 0.888 91 N CB 0.859 38.850 38.487 -0.826 0.000 1.128 91 N HN 0.656 nan 8.380 nan 0.000 0.512 92 D N 2.415 122.405 120.400 -0.684 0.000 2.401 92 D HA 0.070 4.709 4.640 -0.001 0.000 0.254 92 D C -2.078 174.274 176.300 0.086 0.000 1.192 92 D CA -0.715 53.158 54.000 -0.212 0.000 0.885 92 D CB 1.258 42.192 40.800 0.223 0.000 1.147 92 D HN 0.201 nan 8.370 nan 0.000 0.478 93 P HA 0.215 nan 4.420 nan 0.000 0.230 93 P C -0.045 177.457 177.300 0.336 0.000 1.791 93 P CA -0.050 63.055 63.100 0.008 0.000 1.020 93 P CB 0.304 31.870 31.700 -0.223 0.000 1.977 94 G N 0.740 109.926 108.800 0.643 0.000 3.055 94 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.686 94 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.686 94 G C -1.039 174.402 174.900 0.902 0.000 1.087 94 G CA -0.598 44.905 45.100 0.672 0.000 0.779 94 G HN 0.375 nan 8.290 nan 0.000 0.599 95 W N 2.161 123.803 121.300 0.570 0.000 4.511 95 W HA 0.236 4.896 4.660 -0.001 0.000 0.159 95 W C 1.493 178.191 176.519 0.298 0.000 3.471 95 W CA 1.618 59.264 57.345 0.501 0.000 1.173 95 W CB -0.963 28.874 29.460 0.629 0.000 2.090 95 W HN 1.011 nan 8.180 nan 0.000 0.393 96 I N 1.155 121.721 120.570 -0.007 0.000 3.783 96 I HA 0.360 4.530 4.170 -0.001 0.000 0.310 96 I C 0.289 176.272 176.117 -0.222 0.000 1.274 96 I CA 0.761 61.882 61.300 -0.298 0.000 1.294 96 I CB -0.361 37.330 38.000 -0.515 0.000 1.051 96 I HN -0.013 nan 8.210 nan 0.000 0.435 97 Q N 0.842 120.360 119.800 -0.470 0.000 2.484 97 Q HA 0.499 4.839 4.340 -0.001 0.000 0.285 97 Q C -0.233 175.519 176.000 -0.414 0.000 1.097 97 Q CA -0.737 54.735 55.803 -0.552 0.000 0.802 97 Q CB 2.123 30.241 28.738 -1.033 0.000 1.444 97 Q HN 0.385 nan 8.270 nan 0.000 0.429 98 T N -2.155 112.272 114.554 -0.212 0.000 2.766 98 T HA 0.125 4.475 4.350 -0.001 0.000 0.295 98 T C 0.811 175.608 174.700 0.162 0.000 1.024 98 T CA -0.431 61.626 62.100 -0.072 0.000 1.018 98 T CB 0.301 69.155 68.868 -0.023 0.000 1.002 98 T HN 0.573 nan 8.240 nan 0.000 0.532 99 F N 1.134 121.157 119.950 0.122 0.000 2.065 99 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 99 F C 2.472 178.458 175.800 0.310 0.000 1.112 99 F CA 2.337 60.482 58.000 0.242 0.000 1.212 99 F CB -0.326 38.704 39.000 0.050 0.000 0.975 99 F HN 0.768 nan 8.300 nan 0.000 0.476 100 E N 0.400 120.822 120.200 0.369 0.000 2.106 100 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 100 E C 2.008 178.661 176.600 0.089 0.000 0.984 100 E CA 1.652 58.208 56.400 0.258 0.000 0.806 100 E CB -0.266 29.578 29.700 0.239 0.000 0.750 100 E HN 0.610 nan 8.360 nan 0.000 0.458 101 E N -1.012 119.183 120.200 -0.008 0.000 2.051 101 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 101 E C 1.833 178.253 176.600 -0.301 0.000 0.991 101 E CA 1.208 57.449 56.400 -0.266 0.000 0.799 101 E CB -0.245 29.370 29.700 -0.142 0.000 0.748 101 E HN 0.351 nan 8.360 nan 0.000 0.449 102 Y N -0.549 119.710 120.300 -0.068 0.000 2.181 102 Y HA -0.257 4.293 4.550 -0.001 0.000 0.288 102 Y C 2.215 178.055 175.900 -0.100 0.000 1.146 102 Y CA 1.304 59.349 58.100 -0.093 0.000 1.164 102 Y CB -0.749 37.733 38.460 0.038 0.000 0.982 102 Y HN 0.189 nan 8.280 nan 0.000 0.515 103 Y N 0.924 121.238 120.300 0.023 0.000 2.128 103 Y HA -0.289 4.261 4.550 -0.001 0.000 0.284 103 Y C 2.284 178.144 175.900 -0.065 0.000 1.154 103 Y CA 1.887 59.952 58.100 -0.058 0.000 1.149 103 Y CB -0.357 38.063 38.460 -0.067 0.000 0.976 103 Y HN 0.066 nan 8.280 nan 0.000 0.505 104 Q N -0.719 118.968 119.800 -0.188 0.000 2.123 104 Q HA -0.153 4.187 4.340 -0.001 0.000 0.199 104 Q C 2.068 178.017 176.000 -0.084 0.000 0.966 104 Q CA 2.099 57.763 55.803 -0.232 0.000 0.845 104 Q CB -0.529 28.113 28.738 -0.159 0.000 0.907 104 Q HN 0.781 nan 8.270 nan 0.000 0.439 105 H N -0.791 118.299 119.070 0.034 0.000 2.497 105 H HA 0.069 4.625 4.556 -0.001 0.000 0.282 105 H C 0.896 176.324 175.328 0.165 0.000 1.003 105 H CA 0.569 56.674 56.048 0.095 0.000 1.307 105 H CB 0.686 30.468 29.762 0.033 0.000 1.437 105 H HN 0.184 nan 8.280 nan 0.000 0.544 106 D N -1.043 119.472 120.400 0.191 0.000 3.081 106 D HA 0.010 4.649 4.640 -0.001 0.000 0.243 106 D C 1.715 178.079 176.300 0.107 0.000 1.388 106 D CA 0.545 54.650 54.000 0.175 0.000 1.245 106 D CB 0.025 40.852 40.800 0.044 0.000 1.319 106 D HN 0.059 nan 8.370 nan 0.000 0.377 107 T N 2.484 117.020 114.554 -0.030 0.000 2.821 107 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 107 T C 1.923 176.454 174.700 -0.283 0.000 1.046 107 T CA 1.387 63.427 62.100 -0.101 0.000 1.139 107 T CB -0.060 68.595 68.868 -0.354 0.000 0.871 107 T HN 0.243 nan 8.240 nan 0.000 0.454 108 K N 0.787 120.837 120.400 -0.583 0.000 2.211 108 K HA -0.149 4.171 4.320 -0.001 0.000 0.203 108 K C 1.908 178.244 176.600 -0.441 0.000 1.050 108 K CA 1.376 57.295 56.287 -0.613 0.000 0.945 108 K CB -0.356 31.570 32.500 -0.957 0.000 0.732 108 K HN 0.398 nan 8.250 nan 0.000 0.451 109 H N 1.035 120.032 119.070 -0.123 0.000 2.363 109 H HA 0.050 4.606 4.556 -0.001 0.000 0.301 109 H C 2.300 177.630 175.328 0.004 0.000 1.074 109 H CA 1.407 57.441 56.048 -0.023 0.000 1.354 109 H CB -0.167 29.608 29.762 0.023 0.000 1.397 109 H HN 0.182 nan 8.280 nan 0.000 0.516 110 I N 0.780 121.433 120.570 0.138 0.000 2.163 110 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 110 I C 2.452 178.594 176.117 0.042 0.000 1.085 110 I CA 1.179 62.612 61.300 0.221 0.000 1.347 110 I CB -0.272 37.925 38.000 0.329 0.000 1.044 110 I HN 0.091 nan 8.210 nan 0.000 0.408 111 L N -0.543 120.478 121.223 -0.337 0.000 2.072 111 L HA -0.159 4.181 4.340 -0.001 0.000 0.205 111 L C 2.674 179.203 176.870 -0.569 0.000 1.079 111 L CA 1.016 55.425 54.840 -0.719 0.000 0.752 111 L CB -0.481 40.593 42.059 -1.643 0.000 0.906 111 L HN 0.146 nan 8.230 nan 0.000 0.436 112 S N -0.015 115.448 115.700 -0.396 0.000 2.368 112 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 112 S C 1.726 176.291 174.600 -0.060 0.000 1.030 112 S CA 1.256 59.472 58.200 0.026 0.000 0.999 112 S CB -0.235 63.039 63.200 0.124 0.000 0.844 112 S HN 0.445 nan 8.310 nan 0.000 0.459 113 N N 1.684 120.343 118.700 -0.069 0.000 2.331 113 N HA 0.090 4.830 4.740 -0.001 0.000 0.180 113 N C 1.703 176.864 175.510 -0.581 0.000 1.019 113 N CA 1.003 53.938 53.050 -0.192 0.000 0.881 113 N CB -0.533 37.955 38.487 0.002 0.000 0.972 113 N HN 0.389 nan 8.380 nan 0.000 0.435 114 A N 1.107 123.652 122.820 -0.458 0.000 1.902 114 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 114 A C 2.190 179.484 177.584 -0.484 0.000 1.181 114 A CA 0.902 52.488 52.037 -0.752 0.000 0.623 114 A CB -0.685 18.161 19.000 -0.258 0.000 0.818 114 A HN 0.223 nan 8.150 nan 0.000 0.443 115 L N 0.157 121.246 121.223 -0.225 0.000 2.012 115 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 115 L C 2.479 179.272 176.870 -0.129 0.000 1.073 115 L CA 2.599 57.385 54.840 -0.088 0.000 0.748 115 L CB -0.653 41.425 42.059 0.032 0.000 0.891 115 L HN 0.507 nan 8.230 nan 0.000 0.431 116 R N -1.833 118.556 120.500 -0.184 0.000 2.066 116 R HA -0.210 4.130 4.340 -0.001 0.000 0.232 116 R C 2.504 178.680 176.300 -0.207 0.000 1.131 116 R CA 1.541 57.543 56.100 -0.163 0.000 0.955 116 R CB -0.645 29.567 30.300 -0.146 0.000 0.851 116 R HN 0.565 nan 8.270 nan 0.000 0.432 117 H N 0.621 119.398 119.070 -0.488 0.000 2.389 117 H HA -0.033 4.522 4.556 -0.001 0.000 0.299 117 H C 2.122 177.238 175.328 -0.354 0.000 1.081 117 H CA 1.604 57.354 56.048 -0.497 0.000 1.345 117 H CB 0.145 29.359 29.762 -0.913 0.000 1.393 117 H HN 0.220 nan 8.280 nan 0.000 0.520 118 L N -0.388 120.658 121.223 -0.294 0.000 2.072 118 L HA -0.170 4.169 4.340 -0.001 0.000 0.205 118 L C 2.823 179.648 176.870 -0.075 0.000 1.079 118 L CA 1.169 55.923 54.840 -0.144 0.000 0.752 118 L CB -0.743 41.252 42.059 -0.107 0.000 0.906 118 L HN 0.373 nan 8.230 nan 0.000 0.436 119 H N 0.650 119.633 119.070 -0.145 0.000 2.353 119 H HA -0.212 4.344 4.556 -0.001 0.000 0.298 119 H C 1.247 176.509 175.328 -0.110 0.000 1.103 119 H CA 2.126 58.115 56.048 -0.097 0.000 1.293 119 H CB 0.194 29.906 29.762 -0.084 0.000 1.372 119 H HN 0.334 nan 8.280 nan 0.000 0.501 120 D N 0.152 120.500 120.400 -0.087 0.000 2.347 120 D HA -0.020 4.620 4.640 -0.001 0.000 0.213 120 D C -0.063 176.126 176.300 -0.185 0.000 0.985 120 D CA 0.496 54.404 54.000 -0.153 0.000 0.879 120 D CB -0.151 40.564 40.800 -0.142 0.000 0.919 120 D HN 0.404 nan 8.370 nan 0.000 0.526 121 N N 0.247 118.839 118.700 -0.180 0.000 2.746 121 N HA 0.184 4.924 4.740 -0.001 0.000 0.250 121 N C -2.183 173.303 175.510 -0.041 0.000 1.146 121 N CA -1.129 51.863 53.050 -0.096 0.000 0.828 121 N CB 2.246 40.679 38.487 -0.090 0.000 1.158 121 N HN -0.209 nan 8.380 nan 0.000 0.519 122 P HA -0.151 nan 4.420 nan 0.000 0.218 122 P C 0.443 177.766 177.300 0.039 0.000 1.146 122 P CA 1.225 64.317 63.100 -0.014 0.000 0.813 122 P CB 0.399 32.083 31.700 -0.026 0.000 0.778 123 E N -2.155 118.100 120.200 0.092 0.000 2.478 123 E HA 0.072 4.422 4.350 -0.001 0.000 0.194 123 E C 0.726 177.465 176.600 0.232 0.000 1.045 123 E CA 0.034 56.536 56.400 0.170 0.000 0.868 123 E CB -0.522 29.311 29.700 0.221 0.000 0.885 123 E HN 0.171 nan 8.360 nan 0.000 0.505 124 M N 1.270 120.942 119.600 0.120 0.000 2.243 124 M HA 0.164 4.644 4.480 -0.001 0.000 0.341 124 M C -0.662 175.625 176.300 -0.022 0.000 1.130 124 M CA 0.098 55.362 55.300 -0.060 0.000 1.162 124 M CB 0.476 33.056 32.600 -0.034 0.000 1.497 124 M HN -0.325 nan 8.290 nan 0.000 0.456 125 K N 2.959 123.306 120.400 -0.088 0.000 2.444 125 K HA 0.660 4.980 4.320 -0.001 0.000 0.252 125 K C -1.733 174.903 176.600 0.059 0.000 0.993 125 K CA -0.461 55.834 56.287 0.014 0.000 0.847 125 K CB 2.114 34.648 32.500 0.057 0.000 1.340 125 K HN 0.672 nan 8.250 nan 0.000 0.446 126 F N 1.302 121.169 119.950 -0.137 0.000 2.672 126 F HA 0.442 4.969 4.527 -0.001 0.000 0.311 126 F C -1.483 174.210 175.800 -0.179 0.000 1.113 126 F CA -1.256 56.648 58.000 -0.161 0.000 0.996 126 F CB 1.009 39.993 39.000 -0.026 0.000 1.286 126 F HN 0.452 nan 8.300 nan 0.000 0.441 127 I N 1.727 121.974 120.570 -0.540 0.000 2.648 127 I HA 0.615 4.785 4.170 -0.001 0.000 0.304 127 I C -1.745 173.940 176.117 -0.719 0.000 1.009 127 I CA -0.619 60.319 61.300 -0.603 0.000 1.114 127 I CB 2.549 40.128 38.000 -0.701 0.000 1.293 127 I HN 0.689 nan 8.210 nan 0.000 0.449 128 W N 4.456 125.361 121.300 -0.659 0.000 2.957 128 W HA 0.636 5.295 4.660 -0.001 0.000 0.336 128 W C -0.741 175.686 176.519 -0.155 0.000 1.087 128 W CA -0.528 56.557 57.345 -0.433 0.000 1.235 128 W CB 2.686 31.946 29.460 -0.333 0.000 1.399 128 W HN 0.792 nan 8.180 nan 0.000 0.480 129 A N 3.449 125.894 122.820 -0.625 0.000 1.984 129 A HA 0.160 4.480 4.320 -0.001 0.000 0.203 129 A C -0.032 177.506 177.584 -0.076 0.000 1.292 129 A CA 0.507 52.419 52.037 -0.210 0.000 0.782 129 A CB 0.010 18.943 19.000 -0.110 0.000 0.924 129 A HN 0.502 nan 8.150 nan 0.000 0.475 130 E N 0.986 121.037 120.200 -0.249 0.000 2.001 130 E HA 0.318 4.668 4.350 -0.001 0.000 0.279 130 E C 0.416 177.181 176.600 0.275 0.000 1.045 130 E CA -0.303 56.119 56.400 0.037 0.000 0.833 130 E CB 0.815 30.526 29.700 0.018 0.000 1.077 130 E HN 0.269 nan 8.360 nan 0.000 0.397 131 I N 1.546 122.180 120.570 0.107 0.000 2.676 131 I HA -0.197 3.972 4.170 -0.001 0.000 0.259 131 I C 1.964 177.756 176.117 -0.542 0.000 1.194 131 I CA 0.921 62.214 61.300 -0.013 0.000 1.473 131 I CB -1.390 36.657 38.000 0.078 0.000 1.096 131 I HN 0.421 nan 8.210 nan 0.000 0.443 132 S N 0.867 115.935 115.700 -1.054 0.000 2.365 132 S HA -0.263 4.207 4.470 -0.001 0.000 0.225 132 S C 2.186 176.494 174.600 -0.488 0.000 1.039 132 S CA 1.305 58.496 58.200 -1.681 0.000 1.033 132 S CB -1.160 61.088 63.200 -1.587 0.000 0.887 132 S HN 0.473 nan 8.310 nan 0.000 0.447 133 Y N 0.157 120.472 120.300 0.025 0.000 2.200 133 Y HA 0.040 4.590 4.550 -0.001 0.000 0.290 133 Y C 2.308 178.254 175.900 0.077 0.000 1.137 133 Y CA 1.088 59.291 58.100 0.171 0.000 1.163 133 Y CB -0.442 38.213 38.460 0.326 0.000 0.988 133 Y HN 0.295 nan 8.280 nan 0.000 0.518 134 F N 0.250 120.263 119.950 0.106 0.000 2.134 134 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 134 F C 2.341 177.960 175.800 -0.301 0.000 1.097 134 F CA 1.219 59.153 58.000 -0.110 0.000 1.264 134 F CB -0.456 38.462 39.000 -0.137 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.167 122.628 122.820 -0.598 0.000 1.902 135 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 135 A C 2.151 179.607 177.584 -0.212 0.000 1.181 135 A CA 1.756 53.262 52.037 -0.886 0.000 0.623 135 A CB -0.756 17.616 19.000 -1.048 0.000 0.818 135 A HN 0.393 nan 8.150 nan 0.000 0.443 136 R N -1.095 119.324 120.500 -0.136 0.000 2.091 136 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 136 R C 1.741 177.974 176.300 -0.112 0.000 1.136 136 R CA 2.040 58.064 56.100 -0.127 0.000 0.959 136 R CB -0.793 29.366 30.300 -0.234 0.000 0.856 136 R HN 0.491 nan 8.270 nan 0.000 0.437 137 F N -0.437 119.421 119.950 -0.154 0.000 2.098 137 F HA -0.080 4.447 4.527 -0.001 0.000 0.294 137 F C 1.925 177.639 175.800 -0.144 0.000 1.107 137 F CA 1.453 59.430 58.000 -0.039 0.000 1.234 137 F CB -0.829 38.077 39.000 -0.157 0.000 1.002 137 F HN 0.101 nan 8.300 nan 0.000 0.472 138 Y N 0.356 120.408 120.300 -0.414 0.000 2.165 138 Y HA -0.274 4.276 4.550 -0.001 0.000 0.286 138 Y C 2.752 178.451 175.900 -0.336 0.000 1.155 138 Y CA 2.315 60.163 58.100 -0.418 0.000 1.164 138 Y CB -0.741 37.603 38.460 -0.194 0.000 0.978 138 Y HN 0.142 nan 8.280 nan 0.000 0.513 139 H N -0.792 118.257 119.070 -0.036 0.000 2.491 139 H HA -0.091 4.464 4.556 -0.001 0.000 0.290 139 H C 1.126 176.340 175.328 -0.190 0.000 1.050 139 H CA 1.523 57.517 56.048 -0.090 0.000 1.309 139 H CB -0.099 29.664 29.762 0.002 0.000 1.392 139 H HN 0.438 nan 8.280 nan 0.000 0.554 140 D N 0.119 120.431 120.400 -0.147 0.000 2.349 140 D HA 0.059 4.698 4.640 -0.001 0.000 0.215 140 D C 0.630 176.753 176.300 -0.296 0.000 1.016 140 D CA 0.073 53.970 54.000 -0.172 0.000 0.870 140 D CB 0.234 40.967 40.800 -0.112 0.000 0.917 140 D HN 0.192 nan 8.370 nan 0.000 0.524 141 L N 0.584 121.528 121.223 -0.465 0.000 2.397 141 L HA 0.296 4.635 4.340 -0.001 0.000 0.271 141 L C 1.398 178.079 176.870 -0.315 0.000 1.148 141 L CA -0.567 53.994 54.840 -0.466 0.000 0.825 141 L CB 0.857 42.551 42.059 -0.608 0.000 1.117 141 L HN -0.024 nan 8.230 nan 0.000 0.456 142 G N 0.869 109.534 108.800 -0.225 0.000 2.636 142 G HA2 0.025 3.984 3.960 -0.001 0.000 0.246 142 G HA3 0.025 3.984 3.960 -0.001 0.000 0.246 142 G C 0.643 175.447 174.900 -0.159 0.000 1.216 142 G CA -0.290 44.718 45.100 -0.154 0.000 0.854 142 G HN 0.801 nan 8.290 nan 0.000 0.572 143 E N 0.124 120.259 120.200 -0.107 0.000 2.118 143 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 143 E C 2.209 178.772 176.600 -0.060 0.000 0.992 143 E CA 1.558 57.909 56.400 -0.080 0.000 0.804 143 E CB -0.112 29.566 29.700 -0.037 0.000 0.741 143 E HN 0.588 nan 8.360 nan 0.000 0.458 144 N N 0.119 118.786 118.700 -0.056 0.000 2.084 144 N HA -0.187 4.553 4.740 -0.001 0.000 0.190 144 N C 1.412 176.893 175.510 -0.048 0.000 1.030 144 N CA 1.289 54.314 53.050 -0.041 0.000 0.849 144 N CB 0.025 38.486 38.487 -0.045 0.000 1.012 144 N HN 0.034 nan 8.380 nan 0.000 0.423 145 K N 1.258 121.609 120.400 -0.081 0.000 2.097 145 K HA -0.032 4.288 4.320 -0.001 0.000 0.205 145 K C 2.023 178.593 176.600 -0.050 0.000 1.050 145 K CA 0.648 56.888 56.287 -0.078 0.000 0.938 145 K CB -0.195 32.236 32.500 -0.114 0.000 0.718 145 K HN 0.322 nan 8.250 nan 0.000 0.442 146 K N 0.822 121.147 120.400 -0.125 0.000 2.063 146 K HA -0.078 4.242 4.320 -0.001 0.000 0.208 146 K C 2.276 178.961 176.600 0.141 0.000 1.048 146 K CA 1.091 57.320 56.287 -0.098 0.000 0.928 146 K CB -0.207 32.122 32.500 -0.284 0.000 0.713 146 K HN 0.042 nan 8.250 nan 0.000 0.442 147 L N 1.032 122.304 121.223 0.081 0.000 2.046 147 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 147 L C 2.595 179.535 176.870 0.118 0.000 1.077 147 L CA 1.318 56.221 54.840 0.106 0.000 0.747 147 L CB -0.428 41.669 42.059 0.064 0.000 0.896 147 L HN 0.261 nan 8.230 nan 0.000 0.432 148 Q N -0.850 119.002 119.800 0.087 0.000 2.096 148 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 148 Q C 2.222 178.317 176.000 0.158 0.000 0.982 148 Q CA 1.770 57.634 55.803 0.102 0.000 0.850 148 Q CB -0.224 28.522 28.738 0.014 0.000 0.901 148 Q HN 0.364 nan 8.270 nan 0.000 0.422 149 M N 1.194 120.915 119.600 0.202 0.000 2.086 149 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 149 M C 1.632 178.119 176.300 0.311 0.000 1.067 149 M CA 1.759 57.244 55.300 0.308 0.000 1.116 149 M CB -0.007 32.873 32.600 0.466 0.000 1.348 149 M HN -0.085 nan 8.290 nan 0.000 0.407 150 K N -1.081 119.500 120.400 0.303 0.000 2.147 150 K HA -0.137 4.183 4.320 -0.001 0.000 0.205 150 K C 2.282 178.980 176.600 0.163 0.000 1.049 150 K CA 1.560 57.989 56.287 0.237 0.000 0.936 150 K CB -0.423 32.202 32.500 0.208 0.000 0.722 150 K HN 0.419 nan 8.250 nan 0.000 0.446 151 S N 1.573 117.361 115.700 0.145 0.000 2.368 151 S HA -0.089 4.381 4.470 -0.001 0.000 0.224 151 S C 1.968 176.624 174.600 0.093 0.000 1.029 151 S CA 1.035 59.299 58.200 0.107 0.000 0.988 151 S CB -0.238 63.025 63.200 0.104 0.000 0.838 151 S HN 0.389 nan 8.310 nan 0.000 0.462 152 I N -0.690 119.947 120.570 0.110 0.000 2.676 152 I HA 0.036 4.205 4.170 -0.001 0.000 0.259 152 I C 1.843 177.994 176.117 0.057 0.000 1.194 152 I CA 0.727 62.074 61.300 0.077 0.000 1.473 152 I CB -0.385 37.662 38.000 0.078 0.000 1.096 152 I HN 0.108 nan 8.210 nan 0.000 0.443 153 V N 1.537 121.504 119.914 0.088 0.000 2.346 153 V HA -0.179 3.941 4.120 -0.001 0.000 0.244 153 V C 2.695 178.822 176.094 0.056 0.000 1.037 153 V CA 1.971 64.310 62.300 0.065 0.000 1.029 153 V CB -0.690 31.232 31.823 0.166 0.000 0.663 153 V HN 0.430 nan 8.190 nan 0.000 0.454 154 K N 1.493 121.934 120.400 0.068 0.000 2.147 154 K HA -0.212 4.108 4.320 -0.001 0.000 0.205 154 K C 1.770 178.387 176.600 0.027 0.000 1.049 154 K CA 1.758 58.073 56.287 0.046 0.000 0.936 154 K CB -0.201 32.329 32.500 0.050 0.000 0.722 154 K HN 0.653 nan 8.250 nan 0.000 0.446 155 N N -0.391 118.325 118.700 0.027 0.000 2.461 155 N HA -0.011 4.728 4.740 -0.001 0.000 0.188 155 N C 0.841 176.355 175.510 0.006 0.000 1.134 155 N CA 1.106 54.165 53.050 0.015 0.000 0.878 155 N CB 0.330 38.826 38.487 0.015 0.000 0.972 155 N HN 0.324 nan 8.380 nan 0.000 0.456 156 G N -0.254 108.546 108.800 -0.001 0.000 2.159 156 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.256 156 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.256 156 G C 0.776 175.663 174.900 -0.021 0.000 0.977 156 G CA 0.533 45.622 45.100 -0.018 0.000 0.652 156 G HN 0.473 nan 8.290 nan 0.000 0.531 157 Q N -1.000 118.795 119.800 -0.009 0.000 2.062 157 Q HA 0.255 4.594 4.340 -0.001 0.000 0.196 157 Q C 1.498 177.492 176.000 -0.011 0.000 0.967 157 Q CA 0.847 56.650 55.803 0.001 0.000 0.832 157 Q CB 0.337 29.081 28.738 0.010 0.000 0.899 157 Q HN 0.600 nan 8.270 nan 0.000 0.442 158 L N 1.575 122.773 121.223 -0.042 0.000 2.272 158 L HA 0.344 4.683 4.340 -0.001 0.000 0.289 158 L C -1.004 175.691 176.870 -0.291 0.000 1.032 158 L CA -0.278 54.491 54.840 -0.119 0.000 0.810 158 L CB 1.262 43.263 42.059 -0.096 0.000 1.205 158 L HN 0.034 nan 8.230 nan 0.000 0.422 159 E N 4.608 124.592 120.200 -0.359 0.000 2.210 159 E HA 0.346 4.695 4.350 -0.001 0.000 0.266 159 E C -1.528 174.782 176.600 -0.482 0.000 0.883 159 E CA -0.748 55.439 56.400 -0.355 0.000 0.761 159 E CB 1.427 31.001 29.700 -0.209 0.000 1.156 159 E HN 0.502 nan 8.360 nan 0.000 0.412 160 F N 3.106 123.003 119.950 -0.087 0.000 2.412 160 F HA 0.229 4.755 4.527 -0.001 0.000 0.348 160 F C 0.299 176.061 175.800 -0.064 0.000 1.102 160 F CA -0.530 57.431 58.000 -0.066 0.000 1.196 160 F CB 1.221 40.194 39.000 -0.046 0.000 1.144 160 F HN 0.193 nan 8.300 nan 0.000 0.541 161 V N -0.019 119.945 119.914 0.083 0.000 2.448 161 V HA 0.616 4.735 4.120 -0.001 0.000 0.295 161 V C 0.152 176.365 176.094 0.198 0.000 1.025 161 V CA -0.514 61.829 62.300 0.071 0.000 0.859 161 V CB 0.843 32.584 31.823 -0.136 0.000 0.988 161 V HN 1.000 nan 8.190 nan 0.000 0.431 162 T N 3.368 118.115 114.554 0.323 0.000 12.940 162 T HA -0.296 4.053 4.350 -0.001 0.000 0.419 162 T C 1.741 176.671 174.700 0.383 0.000 1.444 162 T CA 2.761 65.105 62.100 0.406 0.000 2.373 162 T CB -1.686 67.325 68.868 0.238 0.000 2.821 162 T HN 2.774 nan 8.240 nan 0.000 0.696 163 G N 1.855 110.819 108.800 0.273 0.000 2.136 163 G HA2 0.114 4.074 3.960 -0.001 0.000 0.242 163 G HA3 0.114 4.074 3.960 -0.001 0.000 0.242 163 G C 0.310 175.355 174.900 0.241 0.000 0.989 163 G CA 0.592 45.832 45.100 0.233 0.000 0.682 163 G HN 1.566 nan 8.290 nan 0.000 0.522 164 G N -1.635 107.305 108.800 0.234 0.000 2.572 164 G HA2 0.370 4.329 3.960 -0.001 0.000 0.261 164 G HA3 0.370 4.329 3.960 -0.001 0.000 0.261 164 G C 0.977 176.056 174.900 0.297 0.000 1.197 164 G CA 0.170 45.420 45.100 0.250 0.000 0.870 164 G HN 0.340 nan 8.290 nan 0.000 0.548 165 W N 0.364 121.714 121.300 0.083 0.000 2.342 165 W HA -0.047 4.613 4.660 -0.001 0.000 0.297 165 W C 0.684 177.237 176.519 0.057 0.000 1.213 165 W CA 1.916 59.295 57.345 0.057 0.000 1.251 165 W CB 0.239 29.715 29.460 0.027 0.000 1.136 165 W HN 0.402 nan 8.180 nan 0.000 0.526 166 V N -2.739 117.294 119.914 0.199 0.000 3.105 166 V HA 0.497 4.616 4.120 -0.001 0.000 0.311 166 V C -0.443 175.739 176.094 0.147 0.000 1.287 166 V CA -1.289 61.074 62.300 0.104 0.000 1.066 166 V CB 1.728 33.632 31.823 0.134 0.000 1.105 166 V HN -0.054 nan 8.190 nan 0.000 0.462 167 M N 3.989 123.703 119.600 0.189 0.000 2.152 167 M HA 0.508 4.988 4.480 -0.001 0.000 0.354 167 M C -2.683 173.784 176.300 0.279 0.000 1.173 167 M CA -1.910 53.522 55.300 0.221 0.000 1.110 167 M CB 1.420 34.176 32.600 0.260 0.000 1.366 167 M HN 0.640 nan 8.290 nan 0.000 0.415 168 P HA 0.099 nan 4.420 nan 0.000 0.274 168 P C -0.906 176.417 177.300 0.037 0.000 1.231 168 P CA -0.134 63.026 63.100 0.099 0.000 0.790 168 P CB 0.542 32.285 31.700 0.071 0.000 0.951 169 D N 0.983 121.365 120.400 -0.029 0.000 2.478 169 D HA -0.086 4.554 4.640 -0.001 0.000 0.234 169 D C 0.718 177.035 176.300 0.029 0.000 1.154 169 D CA 0.704 54.666 54.000 -0.063 0.000 0.874 169 D CB 0.445 41.216 40.800 -0.048 0.000 1.198 169 D HN 0.322 nan 8.370 nan 0.000 0.455 170 E N 1.369 121.629 120.200 0.100 0.000 2.511 170 E HA 0.192 4.541 4.350 -0.001 0.000 0.209 170 E C 0.865 177.642 176.600 0.296 0.000 0.986 170 E CA 0.041 56.566 56.400 0.208 0.000 0.974 170 E CB 0.682 30.524 29.700 0.238 0.000 1.030 170 E HN 0.469 nan 8.360 nan 0.000 0.490 171 A N 1.460 124.404 122.820 0.206 0.000 1.901 171 A HA 0.025 4.344 4.320 -0.001 0.000 0.210 171 A C 1.816 179.289 177.584 -0.184 0.000 1.208 171 A CA 0.560 52.490 52.037 -0.178 0.000 0.644 171 A CB 0.041 18.912 19.000 -0.216 0.000 0.863 171 A HN 0.030 nan 8.150 nan 0.000 0.454 172 N N 0.697 119.377 118.700 -0.032 0.000 2.356 172 N HA 0.009 4.749 4.740 -0.001 0.000 0.178 172 N C 0.444 175.945 175.510 -0.016 0.000 1.075 172 N CA 0.752 53.777 53.050 -0.041 0.000 0.889 172 N CB 0.058 38.565 38.487 0.032 0.000 0.999 172 N HN 0.495 nan 8.380 nan 0.000 0.464 173 S N 0.855 116.557 115.700 0.003 0.000 2.549 173 S HA 0.021 4.491 4.470 -0.001 0.000 0.283 173 S C 0.040 174.656 174.600 0.027 0.000 1.320 173 S CA -0.543 57.671 58.200 0.023 0.000 1.058 173 S CB 1.047 64.264 63.200 0.029 0.000 0.882 173 S HN 0.206 nan 8.310 nan 0.000 0.498 174 H N 3.588 122.643 119.070 -0.025 0.000 2.582 174 H HA 0.039 4.594 4.556 -0.001 0.000 0.345 174 H C 1.279 176.589 175.328 -0.030 0.000 1.104 174 H CA -0.246 55.776 56.048 -0.044 0.000 1.390 174 H CB 0.514 30.202 29.762 -0.123 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.855 127.079 121.300 -0.127 0.000 2.331 175 W HA -0.185 4.475 4.660 -0.000 0.000 0.291 175 W C 1.091 177.689 176.519 0.133 0.000 1.214 175 W CA 0.457 57.799 57.345 -0.005 0.000 1.228 175 W CB -0.506 28.896 29.460 -0.096 0.000 1.135 175 W HN 0.534 nan 8.180 nan 0.000 0.537 176 R N 0.800 120.945 120.500 -0.591 0.000 2.096 176 R HA -0.135 4.205 4.340 -0.001 0.000 0.235 176 R C 2.020 178.170 176.300 -0.249 0.000 1.127 176 R CA 1.893 57.555 56.100 -0.730 0.000 0.968 176 R CB -0.431 29.375 30.300 -0.824 0.000 0.861 176 R HN 0.156 nan 8.270 nan 0.000 0.440 177 N N -0.154 118.480 118.700 -0.110 0.000 2.376 177 N HA -0.058 4.682 4.740 -0.001 0.000 0.177 177 N C 1.729 177.248 175.510 0.015 0.000 1.024 177 N CA 0.698 53.722 53.050 -0.043 0.000 0.893 177 N CB -0.002 38.477 38.487 -0.014 0.000 0.980 177 N HN 0.004 nan 8.380 nan 0.000 0.439 178 V N 1.487 121.435 119.914 0.055 0.000 2.343 178 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 178 V C 2.333 178.477 176.094 0.083 0.000 1.051 178 V CA 1.077 63.427 62.300 0.083 0.000 1.036 178 V CB -0.470 31.423 31.823 0.116 0.000 0.654 178 V HN 0.190 nan 8.190 nan 0.000 0.451 179 L N -0.316 120.966 121.223 0.100 0.000 2.093 179 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 179 L C 2.160 179.048 176.870 0.030 0.000 1.085 179 L CA 1.789 56.681 54.840 0.086 0.000 0.755 179 L CB -0.656 41.490 42.059 0.144 0.000 0.904 179 L HN 0.285 nan 8.230 nan 0.000 0.435 180 L N -0.059 121.161 121.223 -0.005 0.000 2.012 180 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 180 L C 2.573 179.440 176.870 -0.005 0.000 1.073 180 L CA 2.335 57.160 54.840 -0.025 0.000 0.748 180 L CB -0.762 41.263 42.059 -0.057 0.000 0.891 180 L HN 0.674 nan 8.230 nan 0.000 0.431 181 Q N -1.037 118.782 119.800 0.031 0.000 2.172 181 Q HA -0.181 4.159 4.340 -0.001 0.000 0.200 181 Q C 2.021 178.109 176.000 0.146 0.000 0.964 181 Q CA 1.937 57.792 55.803 0.087 0.000 0.855 181 Q CB -1.139 27.687 28.738 0.146 0.000 0.918 181 Q HN 0.463 nan 8.270 nan 0.000 0.444 182 L N 0.884 122.179 121.223 0.119 0.000 2.017 182 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 182 L C 1.939 178.894 176.870 0.141 0.000 1.073 182 L CA 2.472 57.395 54.840 0.138 0.000 0.745 182 L CB -1.010 41.108 42.059 0.098 0.000 0.894 182 L HN 0.336 nan 8.230 nan 0.000 0.432 183 T N -1.050 113.557 114.554 0.088 0.000 2.821 183 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 183 T C 1.720 176.478 174.700 0.096 0.000 1.046 183 T CA 1.388 63.533 62.100 0.076 0.000 1.139 183 T CB -0.155 68.731 68.868 0.031 0.000 0.871 183 T HN 0.329 nan 8.240 nan 0.000 0.454 184 E N 1.029 121.262 120.200 0.055 0.000 2.051 184 E HA -0.043 4.307 4.350 -0.001 0.000 0.192 184 E C 2.357 179.086 176.600 0.214 0.000 0.991 184 E CA 1.568 57.958 56.400 -0.017 0.000 0.799 184 E CB -0.873 28.635 29.700 -0.321 0.000 0.748 184 E HN 0.439 nan 8.360 nan 0.000 0.449 185 G N -0.125 108.900 108.800 0.374 0.000 2.402 185 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.216 185 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.216 185 G C 1.497 176.619 174.900 0.370 0.000 1.162 185 G CA 0.669 46.073 45.100 0.507 0.000 0.777 185 G HN 0.261 nan 8.290 nan 0.000 0.539 186 Q N -0.196 119.759 119.800 0.258 0.000 2.172 186 Q HA -0.051 4.288 4.340 -0.001 0.000 0.200 186 Q C 2.786 178.884 176.000 0.164 0.000 0.964 186 Q CA 1.387 57.301 55.803 0.185 0.000 0.855 186 Q CB -0.171 28.659 28.738 0.153 0.000 0.918 186 Q HN 0.409 nan 8.270 nan 0.000 0.444 187 T N 0.142 114.804 114.554 0.180 0.000 2.777 187 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 187 T C 1.085 175.882 174.700 0.162 0.000 1.040 187 T CA 1.015 63.195 62.100 0.133 0.000 1.141 187 T CB -0.349 68.594 68.868 0.126 0.000 0.868 187 T HN 0.468 nan 8.240 nan 0.000 0.444 188 W N 1.610 123.011 121.300 0.167 0.000 2.355 188 W HA -0.043 4.616 4.660 -0.001 0.000 0.309 188 W C 1.782 178.419 176.519 0.196 0.000 1.206 188 W CA 0.929 58.455 57.345 0.301 0.000 1.284 188 W CB -0.443 29.259 29.460 0.404 0.000 1.145 188 W HN 0.143 nan 8.180 nan 0.000 0.502 189 L N 0.599 122.016 121.223 0.324 0.000 2.046 189 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 189 L C 2.616 179.406 176.870 -0.132 0.000 1.077 189 L CA 1.854 56.713 54.840 0.032 0.000 0.747 189 L CB -0.939 41.090 42.059 -0.049 0.000 0.896 189 L HN -0.019 nan 8.230 nan 0.000 0.432 190 K N 0.002 120.347 120.400 -0.091 0.000 2.057 190 K HA -0.260 4.060 4.320 -0.001 0.000 0.207 190 K C 2.197 178.650 176.600 -0.245 0.000 1.049 190 K CA 1.593 57.804 56.287 -0.127 0.000 0.931 190 K CB -0.027 32.427 32.500 -0.077 0.000 0.714 190 K HN 0.256 nan 8.250 nan 0.000 0.440 191 Q N -0.735 118.842 119.800 -0.372 0.000 2.046 191 Q HA -0.145 4.195 4.340 -0.001 0.000 0.200 191 Q C 1.557 177.044 176.000 -0.856 0.000 0.975 191 Q CA 1.834 57.247 55.803 -0.649 0.000 0.836 191 Q CB 0.014 28.218 28.738 -0.890 0.000 0.896 191 Q HN 0.344 nan 8.270 nan 0.000 0.428 192 F N -1.458 118.104 119.950 -0.646 0.000 2.582 192 F HA 0.100 4.627 4.527 -0.001 0.000 0.290 192 F C 1.692 177.186 175.800 -0.509 0.000 1.115 192 F CA 0.055 57.629 58.000 -0.709 0.000 1.445 192 F CB 0.431 38.571 39.000 -1.434 0.000 1.126 192 F HN 0.103 nan 8.300 nan 0.000 0.574 193 M N -0.921 118.513 119.600 -0.276 0.000 2.308 193 M HA 0.211 4.691 4.480 -0.001 0.000 0.269 193 M C 0.294 176.564 176.300 -0.051 0.000 1.040 193 M CA 0.187 55.430 55.300 -0.094 0.000 1.024 193 M CB -1.077 31.496 32.600 -0.044 0.000 1.465 193 M HN 0.088 nan 8.290 nan 0.000 0.517 194 N N 1.948 120.584 118.700 -0.106 0.000 2.727 194 N HA -0.133 4.607 4.740 -0.001 0.000 0.249 194 N C -0.998 174.490 175.510 -0.038 0.000 1.048 194 N CA 0.730 53.735 53.050 -0.075 0.000 0.714 194 N CB -0.927 37.530 38.487 -0.050 0.000 0.959 194 N HN 0.370 nan 8.380 nan 0.000 0.544 195 V N -3.803 116.090 119.914 -0.034 0.000 3.049 195 V HA 0.863 4.982 4.120 -0.001 0.000 0.309 195 V C -0.026 176.054 176.094 -0.024 0.000 1.148 195 V CA -0.495 61.801 62.300 -0.007 0.000 0.990 195 V CB 2.337 34.201 31.823 0.069 0.000 1.039 195 V HN 0.055 nan 8.190 nan 0.000 0.430 196 T N 3.974 118.503 114.554 -0.041 0.000 2.930 196 T HA 0.588 4.938 4.350 -0.001 0.000 0.313 196 T C -2.735 171.885 174.700 -0.134 0.000 1.019 196 T CA -0.784 61.274 62.100 -0.070 0.000 1.004 196 T CB 1.382 70.199 68.868 -0.085 0.000 0.987 196 T HN 0.765 nan 8.240 nan 0.000 0.456 197 P HA 0.183 nan 4.420 nan 0.000 0.269 197 P C 0.843 177.755 177.300 -0.647 0.000 1.209 197 P CA -0.195 62.785 63.100 -0.200 0.000 0.776 197 P CB 0.544 32.238 31.700 -0.010 0.000 0.876 198 T N -1.900 112.327 114.554 -0.545 0.000 3.040 198 T HA 0.543 4.893 4.350 -0.001 0.000 0.266 198 T C 0.333 174.847 174.700 -0.311 0.000 1.005 198 T CA -0.280 61.383 62.100 -0.728 0.000 0.906 198 T CB 0.127 68.776 68.868 -0.365 0.000 1.082 198 T HN 0.412 nan 8.240 nan 0.000 0.531 199 A N 0.840 123.633 122.820 -0.044 0.000 2.355 199 A HA 0.806 5.125 4.320 -0.001 0.000 0.317 199 A C -0.191 177.656 177.584 0.439 0.000 1.094 199 A CA -0.704 51.460 52.037 0.211 0.000 0.764 199 A CB 1.845 20.983 19.000 0.230 0.000 1.230 199 A HN 0.259 nan 8.150 nan 0.000 0.448 200 S N 1.999 117.950 115.700 0.419 0.000 2.549 200 S HA 0.689 5.159 4.470 -0.001 0.000 0.297 200 S C -1.185 173.613 174.600 0.329 0.000 1.115 200 S CA -0.434 57.958 58.200 0.320 0.000 1.059 200 S CB 0.807 64.024 63.200 0.028 0.000 1.046 200 S HN 0.810 nan 8.310 nan 0.000 0.506 201 W N 4.513 125.832 121.300 0.031 0.000 2.587 201 W HA 0.633 5.293 4.660 -0.001 0.000 0.324 201 W C -1.492 174.980 176.519 -0.079 0.000 1.008 201 W CA -0.825 56.491 57.345 -0.048 0.000 1.265 201 W CB 1.135 30.538 29.460 -0.094 0.000 1.328 201 W HN 0.788 nan 8.180 nan 0.000 0.432 202 A N 7.894 130.581 122.820 -0.222 0.000 2.763 202 A HA 0.292 4.611 4.320 -0.001 0.000 0.325 202 A C 0.268 177.606 177.584 -0.411 0.000 1.209 202 A CA -0.485 51.419 52.037 -0.222 0.000 0.764 202 A CB -0.295 18.694 19.000 -0.019 0.000 1.120 202 A HN 0.704 nan 8.150 nan 0.000 0.463 203 I N -2.536 117.612 120.570 -0.704 0.000 3.603 203 I HA 0.268 4.438 4.170 -0.001 0.000 0.297 203 I C 0.804 176.587 176.117 -0.557 0.000 1.269 203 I CA 0.839 61.679 61.300 -0.766 0.000 1.361 203 I CB 0.398 37.683 38.000 -1.191 0.000 1.063 203 I HN 0.341 nan 8.210 nan 0.000 0.448 204 D N 0.400 120.434 120.400 -0.610 0.000 2.498 204 D HA 0.250 4.890 4.640 -0.001 0.000 0.223 204 D C -2.175 173.683 176.300 -0.737 0.000 1.125 204 D CA -0.840 52.797 54.000 -0.605 0.000 0.835 204 D CB 0.090 40.461 40.800 -0.715 0.000 1.086 204 D HN 0.174 nan 8.370 nan 0.000 0.510 205 P HA 0.040 nan 4.420 nan 0.000 0.267 205 P C -0.533 176.300 177.300 -0.778 0.000 1.200 205 P CA 0.082 62.645 63.100 -0.894 0.000 0.772 205 P CB 0.195 31.544 31.700 -0.585 0.000 0.855 206 F N 2.169 121.879 119.950 -0.399 0.000 2.541 206 F HA 0.540 5.067 4.527 -0.001 0.000 0.351 206 F C 1.406 177.136 175.800 -0.117 0.000 1.209 206 F CA -0.637 57.081 58.000 -0.470 0.000 1.277 206 F CB -1.084 37.768 39.000 -0.247 0.000 1.632 206 F HN 0.494 nan 8.300 nan 0.000 0.619 207 G N 1.286 109.837 108.800 -0.416 0.000 2.662 207 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G C -1.502 173.039 174.900 -0.598 0.000 1.271 207 G CA -1.159 43.796 45.100 -0.242 0.000 0.816 207 G HN 0.609 nan 8.290 nan 0.000 0.608 208 H N -0.558 118.213 119.070 -0.499 0.000 2.717 208 H HA 0.754 5.310 4.556 -0.001 0.000 0.366 208 H C -0.357 174.855 175.328 -0.193 0.000 1.132 208 H CA 0.042 55.986 56.048 -0.173 0.000 1.180 208 H CB 2.053 31.870 29.762 0.093 0.000 1.678 208 H HN 0.685 nan 8.280 nan 0.000 0.537 209 S N 2.271 118.110 115.700 0.233 0.000 2.501 209 S HA 0.268 4.738 4.470 -0.001 0.000 0.301 209 S C -1.787 172.838 174.600 0.041 0.000 1.096 209 S CA -1.792 56.553 58.200 0.242 0.000 1.063 209 S CB 1.340 64.724 63.200 0.306 0.000 1.042 209 S HN 0.449 nan 8.310 nan 0.000 0.494 210 P HA 0.019 nan 4.420 nan 0.000 0.234 210 P C 1.080 178.120 177.300 -0.433 0.000 1.167 210 P CA 0.734 63.438 63.100 -0.660 0.000 0.763 210 P CB -0.244 31.230 31.700 -0.378 0.000 0.835 211 T N -0.182 114.258 114.554 -0.191 0.000 2.881 211 T HA -0.093 4.257 4.350 -0.001 0.000 0.270 211 T C 1.831 176.488 174.700 -0.072 0.000 1.068 211 T CA 1.179 63.212 62.100 -0.111 0.000 1.131 211 T CB -0.393 68.452 68.868 -0.039 0.000 0.871 211 T HN -0.014 nan 8.240 nan 0.000 0.479 212 M N 0.977 120.493 119.600 -0.140 0.000 2.059 212 M HA -0.006 4.474 4.480 -0.001 0.000 0.259 212 M C -0.613 175.553 176.300 -0.224 0.000 1.072 212 M CA 1.266 56.481 55.300 -0.141 0.000 1.117 212 M CB -2.511 30.032 32.600 -0.095 0.000 1.320 212 M HN 0.130 nan 8.290 nan 0.000 0.408 213 P HA -0.199 nan 4.420 nan 0.000 0.218 213 P C 1.678 178.859 177.300 -0.199 0.000 1.149 213 P CA 1.422 64.334 63.100 -0.313 0.000 0.817 213 P CB -0.443 30.974 31.700 -0.472 0.000 0.785 214 Y N 1.155 121.271 120.300 -0.307 0.000 2.097 214 Y HA -0.218 4.332 4.550 -0.001 0.000 0.282 214 Y C 2.405 178.222 175.900 -0.138 0.000 1.152 214 Y CA 1.723 59.705 58.100 -0.197 0.000 1.136 214 Y CB -1.017 37.341 38.460 -0.171 0.000 0.975 214 Y HN -0.232 nan 8.280 nan 0.000 0.498 215 I N -0.455 120.124 120.570 0.014 0.000 2.202 215 I HA -0.308 3.862 4.170 -0.001 0.000 0.242 215 I C 2.304 178.343 176.117 -0.131 0.000 1.091 215 I CA 1.198 62.469 61.300 -0.047 0.000 1.368 215 I CB -0.432 37.610 38.000 0.071 0.000 1.058 215 I HN 0.260 nan 8.210 nan 0.000 0.410 216 L N 0.114 121.216 121.223 -0.203 0.000 2.046 216 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 216 L C 2.691 179.539 176.870 -0.038 0.000 1.077 216 L CA 1.239 55.894 54.840 -0.308 0.000 0.747 216 L CB -0.719 40.970 42.059 -0.617 0.000 0.896 216 L HN 0.352 nan 8.230 nan 0.000 0.432 217 Q N 1.080 120.828 119.800 -0.087 0.000 2.224 217 Q HA -0.190 4.150 4.340 -0.001 0.000 0.203 217 Q C 1.662 177.620 176.000 -0.069 0.000 0.970 217 Q CA 1.455 57.229 55.803 -0.048 0.000 0.865 217 Q CB 0.128 28.810 28.738 -0.094 0.000 0.922 217 Q HN 0.469 nan 8.270 nan 0.000 0.445 218 K N -0.487 119.829 120.400 -0.140 0.000 2.444 218 K HA 0.112 4.432 4.320 -0.001 0.000 0.193 218 K C 0.614 177.174 176.600 -0.067 0.000 1.024 218 K CA 0.109 56.307 56.287 -0.148 0.000 1.077 218 K CB 0.530 32.863 32.500 -0.277 0.000 0.833 218 K HN -0.074 nan 8.250 nan 0.000 0.517 219 S N -0.280 115.437 115.700 0.028 0.000 2.741 219 S HA 0.206 4.675 4.470 -0.001 0.000 0.247 219 S C 0.759 175.461 174.600 0.169 0.000 1.050 219 S CA 0.092 58.357 58.200 0.108 0.000 1.025 219 S CB 1.318 64.625 63.200 0.177 0.000 0.897 219 S HN 0.520 nan 8.310 nan 0.000 0.508 220 G N 1.231 110.082 108.800 0.085 0.000 2.176 220 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.253 220 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.253 220 G C -0.013 174.862 174.900 -0.042 0.000 0.979 220 G CA -0.383 44.711 45.100 -0.010 0.000 0.641 220 G HN 0.439 nan 8.290 nan 0.000 0.530 221 F N 0.423 120.332 119.950 -0.067 0.000 2.450 221 F HA 0.572 5.098 4.527 -0.001 0.000 0.339 221 F C 1.593 177.335 175.800 -0.097 0.000 1.146 221 F CA 0.040 57.995 58.000 -0.074 0.000 1.267 221 F CB 0.884 39.844 39.000 -0.066 0.000 1.178 221 F HN -0.188 nan 8.300 nan 0.000 0.585 222 K N 0.830 121.247 120.400 0.030 0.000 2.425 222 K HA 0.249 4.569 4.320 -0.001 0.000 0.201 222 K C -0.577 175.960 176.600 -0.104 0.000 1.128 222 K CA 0.075 56.321 56.287 -0.070 0.000 1.000 222 K CB 0.212 32.621 32.500 -0.152 0.000 0.961 222 K HN 0.611 nan 8.250 nan 0.000 0.555 223 N N 0.277 118.900 118.700 -0.129 0.000 2.484 223 N HA 0.448 5.188 4.740 -0.001 0.000 0.269 223 N C -1.175 174.183 175.510 -0.252 0.000 1.237 223 N CA -0.646 52.164 53.050 -0.401 0.000 0.838 223 N CB 2.238 39.906 38.487 -1.365 0.000 1.593 223 N HN -0.096 nan 8.380 nan 0.000 0.485 224 M N -0.195 119.271 119.600 -0.223 0.000 2.569 224 M HA 0.636 5.115 4.480 -0.001 0.000 0.279 224 M C -2.060 174.309 176.300 0.114 0.000 1.253 224 M CA -0.946 54.352 55.300 -0.004 0.000 0.867 224 M CB 2.486 35.074 32.600 -0.021 0.000 1.727 224 M HN 0.501 nan 8.290 nan 0.000 0.467 225 L N 3.592 124.900 121.223 0.141 0.000 2.386 225 L HA 0.876 5.215 4.340 -0.001 0.000 0.271 225 L C -1.474 175.281 176.870 -0.191 0.000 0.993 225 L CA -0.754 54.127 54.840 0.069 0.000 0.819 225 L CB 2.036 44.188 42.059 0.155 0.000 1.294 225 L HN 0.949 nan 8.230 nan 0.000 0.414 226 I N 0.950 121.315 120.570 -0.342 0.000 3.042 226 I HA 0.617 4.787 4.170 -0.001 0.000 0.310 226 I C -0.731 175.090 176.117 -0.494 0.000 1.117 226 I CA -0.553 60.354 61.300 -0.654 0.000 1.003 226 I CB 2.256 39.590 38.000 -1.110 0.000 1.228 226 I HN 0.738 nan 8.210 nan 0.000 0.443 227 Q N 2.191 121.764 119.800 -0.378 0.000 2.546 227 Q HA 0.336 4.675 4.340 -0.001 0.000 0.226 227 Q C -0.012 175.883 176.000 -0.175 0.000 0.769 227 Q CA 0.450 56.106 55.803 -0.246 0.000 0.954 227 Q CB 0.599 29.186 28.738 -0.253 0.000 1.319 227 Q HN 0.665 nan 8.270 nan 0.000 0.534 228 R N 2.019 122.421 120.500 -0.164 0.000 2.419 228 R HA 0.351 4.691 4.340 -0.001 0.000 0.305 228 R C -0.674 175.363 176.300 -0.438 0.000 1.242 228 R CA 0.572 56.330 56.100 -0.569 0.000 1.105 228 R CB 0.234 29.830 30.300 -1.173 0.000 1.116 228 R HN 0.388 nan 8.270 nan 0.000 0.523 229 T N -2.313 112.215 114.554 -0.044 0.000 2.916 229 T HA 0.134 4.484 4.350 -0.001 0.000 0.292 229 T C -0.033 174.932 174.700 0.442 0.000 1.055 229 T CA -0.906 61.300 62.100 0.177 0.000 1.009 229 T CB 1.740 70.563 68.868 -0.076 0.000 1.118 229 T HN 0.435 nan 8.240 nan 0.000 0.497 230 H N 1.998 121.293 119.070 0.374 0.000 3.140 230 H HA -0.048 4.508 4.556 -0.001 0.000 0.316 230 H C 1.075 176.464 175.328 0.103 0.000 0.986 230 H CA 0.486 56.648 56.048 0.190 0.000 1.397 230 H CB 0.325 30.218 29.762 0.219 0.000 1.377 230 H HN 0.928 nan 8.280 nan 0.000 0.585 231 Y N 2.376 122.784 120.300 0.180 0.000 2.315 231 Y HA -0.181 4.368 4.550 -0.001 0.000 0.288 231 Y C 2.164 178.241 175.900 0.295 0.000 1.154 231 Y CA 1.003 59.240 58.100 0.228 0.000 1.229 231 Y CB -0.638 37.892 38.460 0.117 0.000 0.980 231 Y HN 0.293 nan 8.280 nan 0.000 0.540 232 S N 0.265 116.014 115.700 0.080 0.000 2.406 232 S HA -0.107 4.363 4.470 -0.001 0.000 0.228 232 S C 2.081 176.606 174.600 -0.125 0.000 1.020 232 S CA 1.113 59.245 58.200 -0.112 0.000 0.965 232 S CB -0.518 62.392 63.200 -0.483 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 1.964 121.861 119.914 -0.030 0.000 2.358 233 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 233 V C 2.234 178.367 176.094 0.066 0.000 1.047 233 V CA 1.583 63.897 62.300 0.022 0.000 1.035 233 V CB -0.506 31.435 31.823 0.196 0.000 0.658 233 V HN 0.401 nan 8.190 nan 0.000 0.452 234 K N 0.152 120.634 120.400 0.137 0.000 2.032 234 K HA -0.263 4.057 4.320 -0.001 0.000 0.209 234 K C 2.273 179.010 176.600 0.228 0.000 1.048 234 K CA 1.923 58.309 56.287 0.164 0.000 0.927 234 K CB -0.256 32.400 32.500 0.260 0.000 0.712 234 K HN 0.352 nan 8.250 nan 0.000 0.441 235 K N 1.152 121.690 120.400 0.229 0.000 2.026 235 K HA -0.240 4.080 4.320 -0.001 0.000 0.208 235 K C 2.133 178.830 176.600 0.161 0.000 1.048 235 K CA 1.792 58.222 56.287 0.238 0.000 0.929 235 K CB 0.037 32.606 32.500 0.115 0.000 0.713 235 K HN -0.001 nan 8.250 nan 0.000 0.439 236 E N 0.791 121.007 120.200 0.027 0.000 2.051 236 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 236 E C 1.943 178.539 176.600 -0.007 0.000 0.991 236 E CA 1.373 57.747 56.400 -0.042 0.000 0.799 236 E CB -0.149 29.478 29.700 -0.122 0.000 0.748 236 E HN 0.343 nan 8.360 nan 0.000 0.449 237 L N -0.143 121.086 121.223 0.010 0.000 2.093 237 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 237 L C 2.538 179.430 176.870 0.037 0.000 1.085 237 L CA 0.909 55.748 54.840 -0.002 0.000 0.755 237 L CB -0.614 41.428 42.059 -0.029 0.000 0.904 237 L HN 0.213 nan 8.230 nan 0.000 0.435 238 A N -0.151 122.744 122.820 0.125 0.000 1.908 238 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 238 A C 2.222 179.990 177.584 0.306 0.000 1.181 238 A CA 1.600 53.766 52.037 0.216 0.000 0.627 238 A CB -0.504 18.782 19.000 0.476 0.000 0.818 238 A HN 0.472 nan 8.150 nan 0.000 0.445 239 Q N -1.021 118.916 119.800 0.228 0.000 2.234 239 Q HA -0.157 4.183 4.340 -0.001 0.000 0.206 239 Q C 1.314 177.304 176.000 -0.016 0.000 0.980 239 Q CA 1.268 57.048 55.803 -0.039 0.000 0.869 239 Q CB -0.037 28.540 28.738 -0.267 0.000 0.912 239 Q HN 0.605 nan 8.270 nan 0.000 0.436 240 Q N -0.222 119.581 119.800 0.004 0.000 2.247 240 Q HA 0.144 4.483 4.340 -0.001 0.000 0.204 240 Q C -0.416 175.599 176.000 0.026 0.000 0.872 240 Q CA -0.034 55.768 55.803 -0.002 0.000 0.951 240 Q CB 0.661 29.388 28.738 -0.019 0.000 1.099 240 Q HN 0.274 nan 8.270 nan 0.000 0.501 241 R N 0.821 121.342 120.500 0.035 0.000 3.322 241 R HA -0.213 4.127 4.340 -0.001 0.000 0.253 241 R C -0.106 176.224 176.300 0.051 0.000 0.987 241 R CA 0.471 56.582 56.100 0.020 0.000 0.666 241 R CB -1.866 28.471 30.300 0.062 0.000 1.072 241 R HN 0.389 nan 8.270 nan 0.000 0.447 242 Q N 0.027 119.845 119.800 0.031 0.000 2.186 242 Q HA 0.191 4.530 4.340 -0.001 0.000 0.241 242 Q C 1.227 177.303 176.000 0.127 0.000 0.849 242 Q CA -0.229 55.627 55.803 0.087 0.000 1.053 242 Q CB 0.537 29.290 28.738 0.025 0.000 1.146 242 Q HN 0.442 nan 8.270 nan 0.000 0.475 243 L N 0.071 121.300 121.223 0.009 0.000 2.395 243 L HA 0.031 4.371 4.340 -0.001 0.000 0.218 243 L C 0.355 177.213 176.870 -0.020 0.000 1.130 243 L CA 0.964 55.781 54.840 -0.038 0.000 0.826 243 L CB 0.279 42.131 42.059 -0.346 0.000 0.941 243 L HN 0.180 nan 8.230 nan 0.000 0.451 244 E N 0.114 120.344 120.200 0.050 0.000 2.171 244 E HA 0.526 4.876 4.350 -0.001 0.000 0.271 244 E C -1.210 175.304 176.600 -0.142 0.000 0.916 244 E CA -0.548 55.679 56.400 -0.288 0.000 0.774 244 E CB 1.557 31.207 29.700 -0.084 0.000 1.128 244 E HN 0.004 nan 8.360 nan 0.000 0.403 245 F N -0.256 119.429 119.950 -0.443 0.000 2.713 245 F HA 0.464 4.991 4.527 -0.001 0.000 0.311 245 F C -1.610 174.075 175.800 -0.191 0.000 1.141 245 F CA -1.372 56.518 58.000 -0.183 0.000 0.939 245 F CB 0.752 39.678 39.000 -0.124 0.000 1.325 245 F HN 0.163 nan 8.300 nan 0.000 0.453 246 L N 2.669 124.050 121.223 0.265 0.000 2.282 246 L HA 0.180 4.520 4.340 -0.001 0.000 0.287 246 L C -1.085 176.016 176.870 0.384 0.000 1.075 246 L CA -0.226 54.766 54.840 0.254 0.000 0.839 246 L CB 0.477 42.687 42.059 0.253 0.000 1.219 246 L HN 0.590 nan 8.230 nan 0.000 0.434 247 W N 6.794 128.208 121.300 0.191 0.000 2.387 247 W HA 0.334 4.993 4.660 -0.001 0.000 0.310 247 W C 0.256 176.805 176.519 0.050 0.000 1.181 247 W CA -1.281 56.189 57.345 0.209 0.000 1.333 247 W CB 0.425 30.053 29.460 0.281 0.000 1.286 247 W HN 0.505 nan 8.180 nan 0.000 0.455 248 R N 3.772 124.449 120.500 0.296 0.000 2.828 248 R HA 0.543 4.882 4.340 -0.001 0.000 0.264 248 R C -0.064 176.145 176.300 -0.151 0.000 1.022 248 R CA -0.920 55.183 56.100 0.005 0.000 1.021 248 R CB 1.088 31.372 30.300 -0.026 0.000 1.163 248 R HN 0.243 nan 8.270 nan 0.000 0.494 249 Q N 1.300 120.857 119.800 -0.406 0.000 2.421 249 Q HA 0.056 4.395 4.340 -0.001 0.000 0.255 249 Q C 1.466 177.074 176.000 -0.652 0.000 1.013 249 Q CA 0.108 55.466 55.803 -0.743 0.000 0.895 249 Q CB 0.788 28.610 28.738 -1.527 0.000 1.271 249 Q HN 0.849 nan 8.270 nan 0.000 0.460 250 I N -2.175 118.110 120.570 -0.475 0.000 2.567 250 I HA -0.139 4.030 4.170 -0.001 0.000 0.257 250 I C 1.296 177.350 176.117 -0.105 0.000 1.184 250 I CA 1.227 62.414 61.300 -0.189 0.000 1.451 250 I CB -0.351 37.639 38.000 -0.016 0.000 1.089 250 I HN 0.675 nan 8.210 nan 0.000 0.441 251 W N 1.381 122.739 121.300 0.097 0.000 3.278 251 W HA 0.372 5.032 4.660 -0.001 0.000 0.308 251 W C 0.170 176.765 176.519 0.127 0.000 1.253 251 W CA -0.729 56.733 57.345 0.194 0.000 1.759 251 W CB -0.668 28.997 29.460 0.341 0.000 1.093 251 W HN -0.063 nan 8.180 nan 0.000 0.648 252 D N 1.793 121.934 120.400 -0.433 0.000 2.422 252 D HA -0.007 4.632 4.640 -0.001 0.000 0.227 252 D C 1.056 177.330 176.300 -0.043 0.000 1.190 252 D CA 0.185 54.068 54.000 -0.195 0.000 0.905 252 D CB 0.100 40.686 40.800 -0.357 0.000 1.034 252 D HN 0.089 nan 8.370 nan 0.000 0.507 253 N N 3.431 122.168 118.700 0.061 0.000 2.188 253 N HA -0.142 4.597 4.740 -0.001 0.000 0.184 253 N C 1.351 176.881 175.510 0.034 0.000 1.018 253 N CA 0.698 53.777 53.050 0.048 0.000 0.858 253 N CB 0.259 38.796 38.487 0.083 0.000 0.989 253 N HN 0.394 nan 8.380 nan 0.000 0.426 254 K N -0.355 120.071 120.400 0.044 0.000 2.137 254 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 254 K C 0.790 177.406 176.600 0.027 0.000 1.052 254 K CA 1.116 57.426 56.287 0.037 0.000 0.961 254 K CB 0.120 32.648 32.500 0.045 0.000 0.741 254 K HN 0.255 nan 8.250 nan 0.000 0.452 255 G N 1.049 109.857 108.800 0.014 0.000 2.148 255 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.203 255 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.203 255 G C 0.124 175.030 174.900 0.011 0.000 0.993 255 G CA 0.333 45.439 45.100 0.010 0.000 0.661 255 G HN 0.361 nan 8.290 nan 0.000 0.518 256 D N 0.628 121.036 120.400 0.014 0.000 2.310 256 D HA -0.033 4.606 4.640 -0.001 0.000 0.212 256 D C 2.588 178.884 176.300 -0.007 0.000 0.965 256 D CA 1.792 55.799 54.000 0.011 0.000 0.879 256 D CB -0.214 40.600 40.800 0.023 0.000 0.921 256 D HN 0.682 nan 8.370 nan 0.000 0.510 257 T N -2.157 112.384 114.554 -0.022 0.000 3.100 257 T HA 0.316 4.666 4.350 -0.001 0.000 0.253 257 T C 0.978 175.649 174.700 -0.049 0.000 1.118 257 T CA -0.036 62.033 62.100 -0.051 0.000 1.058 257 T CB -0.001 68.823 68.868 -0.073 0.000 0.953 257 T HN 0.068 nan 8.240 nan 0.000 0.515 258 A N 1.419 124.233 122.820 -0.010 0.000 2.540 258 A HA 0.537 4.856 4.320 -0.001 0.000 0.239 258 A C -0.263 177.347 177.584 0.043 0.000 1.061 258 A CA -0.277 51.783 52.037 0.039 0.000 0.758 258 A CB -0.141 18.907 19.000 0.080 0.000 0.991 258 A HN 0.555 nan 8.150 nan 0.000 0.502 259 L N 2.663 123.933 121.223 0.078 0.000 2.438 259 L HA 0.553 4.893 4.340 -0.001 0.000 0.270 259 L C -0.662 176.273 176.870 0.108 0.000 0.972 259 L CA -0.552 54.329 54.840 0.068 0.000 0.831 259 L CB 1.474 43.537 42.059 0.008 0.000 1.273 259 L HN 0.665 nan 8.230 nan 0.000 0.405 260 F N 3.863 123.779 119.950 -0.056 0.000 2.578 260 F HA 0.398 4.924 4.527 -0.001 0.000 0.381 260 F C 0.024 175.711 175.800 -0.189 0.000 1.069 260 F CA 0.807 58.741 58.000 -0.111 0.000 1.231 260 F CB 0.452 39.403 39.000 -0.082 0.000 1.086 260 F HN 0.568 nan 8.300 nan 0.000 0.564 261 T N 5.353 119.361 114.554 -0.910 0.000 2.861 261 T HA 0.207 4.556 4.350 -0.001 0.000 0.287 261 T C -1.615 172.464 174.700 -1.034 0.000 1.003 261 T CA -0.481 61.147 62.100 -0.786 0.000 0.977 261 T CB 0.938 69.325 68.868 -0.803 0.000 0.996 261 T HN 0.618 nan 8.240 nan 0.000 0.448 262 H N 2.748 121.516 119.070 -0.503 0.000 2.511 262 H HA 0.627 5.183 4.556 -0.001 0.000 0.328 262 H C -0.425 174.712 175.328 -0.318 0.000 1.044 262 H CA -0.758 55.104 56.048 -0.311 0.000 1.212 262 H CB 0.770 30.572 29.762 0.067 0.000 1.428 262 H HN 0.482 nan 8.280 nan 0.000 0.483 263 M N 6.941 126.209 119.600 -0.553 0.000 2.157 263 M HA 0.293 4.772 4.480 -0.001 0.000 0.354 263 M C -0.906 175.144 176.300 -0.416 0.000 1.170 263 M CA -0.620 54.430 55.300 -0.417 0.000 1.060 263 M CB 0.719 33.127 32.600 -0.319 0.000 1.615 263 M HN 0.661 nan 8.290 nan 0.000 0.460 264 M N 6.563 126.015 119.600 -0.247 0.000 2.245 264 M HA 0.175 4.654 4.480 -0.001 0.000 0.330 264 M C -1.582 174.581 176.300 -0.228 0.000 1.098 264 M CA -1.067 54.132 55.300 -0.169 0.000 1.172 264 M CB 0.400 32.915 32.600 -0.141 0.000 1.467 264 M HN 0.491 nan 8.290 nan 0.000 0.454 265 P HA 0.107 nan 4.420 nan 0.000 0.245 265 P C -0.262 176.859 177.300 -0.298 0.000 1.199 265 P CA 0.907 63.699 63.100 -0.514 0.000 0.807 265 P CB 0.335 31.423 31.700 -1.021 0.000 1.002 266 F N -2.293 117.656 119.950 -0.001 0.000 2.611 266 F HA 0.303 4.830 4.527 -0.001 0.000 0.374 266 F C 2.115 177.999 175.800 0.139 0.000 1.110 266 F CA -1.311 56.728 58.000 0.066 0.000 1.090 266 F CB 0.246 39.222 39.000 -0.039 0.000 1.388 266 F HN -0.318 nan 8.300 nan 0.000 0.501 267 Y N 0.424 120.871 120.300 0.245 0.000 2.373 267 Y HA 0.069 4.618 4.550 -0.001 0.000 0.293 267 Y C 0.783 176.600 175.900 -0.138 0.000 1.129 267 Y CA 1.080 59.184 58.100 0.006 0.000 1.226 267 Y CB 0.066 38.430 38.460 -0.159 0.000 1.000 267 Y HN 0.337 nan 8.280 nan 0.000 0.549 268 S N -1.773 113.781 115.700 -0.243 0.000 2.638 268 S HA 0.241 4.711 4.470 -0.001 0.000 0.274 268 S C -0.318 174.201 174.600 -0.134 0.000 1.157 268 S CA -0.372 57.587 58.200 -0.403 0.000 0.826 268 S CB 0.251 63.150 63.200 -0.501 0.000 1.139 268 S HN 0.289 nan 8.310 nan 0.000 0.474 269 Y N 0.854 121.112 120.300 -0.070 0.000 2.490 269 Y HA 0.295 4.845 4.550 -0.001 0.000 0.281 269 Y C 0.474 176.457 175.900 0.138 0.000 1.174 269 Y CA -0.436 57.648 58.100 -0.027 0.000 1.295 269 Y CB -1.014 37.340 38.460 -0.177 0.000 1.062 269 Y HN 0.557 nan 8.280 nan 0.000 0.522 270 D N 0.743 121.126 120.400 -0.029 0.000 2.371 270 D HA -0.035 4.604 4.640 -0.001 0.000 0.242 270 D C 1.245 177.671 176.300 0.210 0.000 1.218 270 D CA -0.365 53.723 54.000 0.147 0.000 0.945 270 D CB 0.802 41.651 40.800 0.081 0.000 1.137 270 D HN 0.257 nan 8.370 nan 0.000 0.464 271 I N -0.210 120.463 120.570 0.173 0.000 2.226 271 I HA -0.154 4.015 4.170 -0.001 0.000 0.245 271 I C -0.748 175.407 176.117 0.064 0.000 1.100 271 I CA 0.861 62.248 61.300 0.145 0.000 1.374 271 I CB -1.165 36.908 38.000 0.122 0.000 1.057 271 I HN 0.345 nan 8.210 nan 0.000 0.413 272 P HA -0.152 nan 4.420 nan 0.000 0.221 272 P C 0.575 177.566 177.300 -0.516 0.000 1.145 272 P CA 1.597 64.517 63.100 -0.299 0.000 0.795 272 P CB -0.095 31.421 31.700 -0.306 0.000 0.775 273 H N -2.974 116.090 119.070 -0.009 0.000 2.486 273 H HA 0.220 4.776 4.556 -0.001 0.000 0.284 273 H C 0.889 176.312 175.328 0.159 0.000 1.103 273 H CA 0.543 56.600 56.048 0.014 0.000 1.089 273 H CB -0.180 29.654 29.762 0.119 0.000 1.603 273 H HN 0.096 nan 8.280 nan 0.000 0.557 274 T N -4.237 110.432 114.554 0.192 0.000 2.986 274 T HA -0.021 4.328 4.350 -0.001 0.000 0.264 274 T C 1.775 176.595 174.700 0.200 0.000 0.964 274 T CA 0.362 62.600 62.100 0.231 0.000 0.895 274 T CB -0.691 68.303 68.868 0.210 0.000 1.163 274 T HN 0.503 nan 8.240 nan 0.000 0.517 275 c N 1.507 120.196 118.600 0.149 0.000 2.563 275 c HA 0.719 5.288 4.570 -0.001 0.000 0.268 275 c C 1.317 175.527 174.090 0.201 0.000 1.365 275 c CA 0.361 56.817 56.329 0.211 0.000 1.754 275 c CB -1.148 41.447 42.510 0.142 0.000 1.932 275 c HN 0.878 nan 8.230 nan 0.000 0.536 276 G N -0.237 108.613 108.800 0.083 0.000 2.315 276 G HA2 0.376 4.335 3.960 -0.001 0.000 0.294 276 G HA3 0.376 4.335 3.960 -0.001 0.000 0.294 276 G C -2.696 171.846 174.900 -0.597 0.000 1.300 276 G CA 0.225 45.311 45.100 -0.023 0.000 0.843 276 G HN -0.109 nan 8.290 nan 0.000 0.527 277 P HA 0.083 nan 4.420 nan 0.000 0.229 277 P C -0.125 176.760 177.300 -0.692 0.000 1.160 277 P CA 1.087 63.522 63.100 -1.108 0.000 0.777 277 P CB 0.373 31.736 31.700 -0.563 0.000 0.814 278 D N 0.801 120.907 120.400 -0.491 0.000 2.460 278 D HA 0.144 4.784 4.640 -0.001 0.000 0.232 278 D C -1.499 174.458 176.300 -0.573 0.000 1.079 278 D CA -2.648 51.104 54.000 -0.413 0.000 0.864 278 D CB 1.408 42.050 40.800 -0.263 0.000 1.048 278 D HN -0.017 nan 8.370 nan 0.000 0.523 279 P HA -0.146 nan 4.420 nan 0.000 0.220 279 P C 1.232 177.724 177.300 -1.347 0.000 1.148 279 P CA 0.693 63.036 63.100 -1.261 0.000 0.803 279 P CB 0.507 31.147 31.700 -1.766 0.000 0.782 280 K N 0.280 120.020 120.400 -1.101 0.000 2.147 280 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 280 K C 1.785 178.210 176.600 -0.291 0.000 1.049 280 K CA 1.091 57.046 56.287 -0.553 0.000 0.936 280 K CB -0.190 32.173 32.500 -0.229 0.000 0.722 280 K HN -0.050 nan 8.250 nan 0.000 0.446 281 V N 0.327 120.073 119.914 -0.279 0.000 2.379 281 V HA -0.224 3.895 4.120 -0.001 0.000 0.243 281 V C 2.397 178.469 176.094 -0.037 0.000 1.035 281 V CA 1.313 63.544 62.300 -0.115 0.000 1.035 281 V CB -0.289 31.477 31.823 -0.094 0.000 0.673 281 V HN 0.464 nan 8.190 nan 0.000 0.457 282 c N -0.660 117.837 118.600 -0.170 0.000 2.422 282 c HA -0.202 4.368 4.570 -0.001 0.000 0.279 282 c C 2.982 177.043 174.090 -0.048 0.000 1.305 282 c CA 0.797 57.087 56.329 -0.064 0.000 1.757 282 c CB -1.501 40.893 42.510 -0.193 0.000 1.962 282 c HN 0.759 nan 8.230 nan 0.000 0.499 283 c N 0.857 119.343 118.600 -0.191 0.000 2.410 283 c HA -0.153 4.416 4.570 -0.001 0.000 0.281 283 c C 2.613 176.600 174.090 -0.171 0.000 1.318 283 c CA 1.264 57.532 56.329 -0.101 0.000 1.776 283 c CB -1.471 41.064 42.510 0.041 0.000 1.942 283 c HN 0.642 nan 8.230 nan 0.000 0.508 284 Q N -1.426 118.220 119.800 -0.257 0.000 2.488 284 Q HA -0.008 4.331 4.340 -0.001 0.000 0.211 284 Q C 0.726 176.073 176.000 -1.089 0.000 0.967 284 Q CA 0.993 56.455 55.803 -0.569 0.000 0.926 284 Q CB -0.014 28.377 28.738 -0.578 0.000 0.992 284 Q HN 0.742 nan 8.270 nan 0.000 0.506 285 F N -0.195 119.465 119.950 -0.483 0.000 2.668 285 F HA 0.159 4.685 4.527 -0.001 0.000 0.301 285 F C 0.244 175.762 175.800 -0.471 0.000 1.106 285 F CA -0.548 57.072 58.000 -0.633 0.000 1.289 285 F CB 0.766 39.645 39.000 -0.201 0.000 1.006 285 F HN -0.141 nan 8.300 nan 0.000 0.535 286 D N 0.056 120.231 120.400 -0.374 0.000 2.467 286 D HA 0.127 4.767 4.640 -0.001 0.000 0.220 286 D C 0.513 176.626 176.300 -0.312 0.000 1.103 286 D CA -0.331 53.568 54.000 -0.169 0.000 0.886 286 D CB 0.124 40.878 40.800 -0.077 0.000 1.025 286 D HN 0.102 nan 8.370 nan 0.000 0.514 287 F N 1.817 121.769 119.950 0.002 0.000 2.771 287 F HA 0.083 4.610 4.527 -0.001 0.000 0.299 287 F C 2.339 178.081 175.800 -0.098 0.000 1.177 287 F CA 0.295 58.269 58.000 -0.043 0.000 1.450 287 F CB 0.127 39.123 39.000 -0.007 0.000 1.114 287 F HN 0.263 nan 8.300 nan 0.000 0.587 288 K N 0.725 121.051 120.400 -0.122 0.000 2.487 288 K HA 0.044 4.363 4.320 -0.001 0.000 0.192 288 K C 1.089 177.633 176.600 -0.092 0.000 1.027 288 K CA 0.256 56.322 56.287 -0.369 0.000 1.054 288 K CB 0.118 32.261 32.500 -0.595 0.000 0.824 288 K HN 0.201 nan 8.250 nan 0.000 0.510 289 R N 0.053 120.533 120.500 -0.034 0.000 2.586 289 R HA 0.194 4.534 4.340 -0.001 0.000 0.306 289 R C 0.960 177.285 176.300 0.042 0.000 1.079 289 R CA -0.166 55.941 56.100 0.011 0.000 1.083 289 R CB 0.211 30.496 30.300 -0.025 0.000 1.306 289 R HN 0.189 nan 8.270 nan 0.000 0.567 290 M N -1.104 118.559 119.600 0.104 0.000 2.541 290 M HA 0.144 4.624 4.480 -0.001 0.000 0.252 290 M C 1.220 177.561 176.300 0.068 0.000 1.125 290 M CA 0.942 56.287 55.300 0.075 0.000 1.091 290 M CB 0.793 33.449 32.600 0.092 0.000 1.420 290 M HN 0.492 nan 8.290 nan 0.000 0.486 291 G N -0.271 108.588 108.800 0.098 0.000 3.898 291 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.196 291 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.196 291 G C 0.996 175.904 174.900 0.013 0.000 1.322 291 G CA 0.211 45.339 45.100 0.047 0.000 0.942 291 G HN 0.383 nan 8.290 nan 0.000 0.400 292 S N 0.432 116.098 115.700 -0.056 0.000 2.442 292 S HA 0.137 4.606 4.470 -0.001 0.000 0.236 292 S C 1.804 176.224 174.600 -0.300 0.000 1.007 292 S CA 1.623 59.695 58.200 -0.213 0.000 0.965 292 S CB -0.470 62.523 63.200 -0.344 0.000 0.773 292 S HN 0.381 nan 8.310 nan 0.000 0.504 293 F N 1.841 121.786 119.950 -0.008 0.000 2.765 293 F HA 0.406 4.932 4.527 -0.001 0.000 0.302 293 F C 1.930 177.725 175.800 -0.009 0.000 1.111 293 F CA 0.098 58.092 58.000 -0.010 0.000 1.359 293 F CB -0.142 38.849 39.000 -0.015 0.000 1.097 293 F HN 0.382 nan 8.300 nan 0.000 0.577 294 G N 1.101 109.972 108.800 0.119 0.000 2.143 294 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.248 294 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.248 294 G C -0.123 174.824 174.900 0.079 0.000 0.991 294 G CA 0.034 45.179 45.100 0.075 0.000 0.689 294 G HN 0.301 nan 8.290 nan 0.000 0.522 295 L N 0.104 121.388 121.223 0.101 0.000 2.323 295 L HA 0.875 5.214 4.340 -0.001 0.000 0.265 295 L C 0.491 177.391 176.870 0.049 0.000 1.012 295 L CA -0.389 54.492 54.840 0.069 0.000 0.820 295 L CB 2.363 44.460 42.059 0.064 0.000 1.334 295 L HN 0.468 nan 8.230 nan 0.000 0.427 296 S N -0.856 114.860 115.700 0.027 0.000 2.688 296 S HA 0.531 5.001 4.470 -0.001 0.000 0.275 296 S C -1.295 173.314 174.600 0.016 0.000 1.175 296 S CA -0.808 57.400 58.200 0.013 0.000 0.818 296 S CB 1.585 64.783 63.200 -0.003 0.000 1.157 296 S HN 0.521 nan 8.310 nan 0.000 0.482 297 c N 2.989 121.602 118.600 0.022 0.000 2.255 297 c HA 0.568 5.138 4.570 -0.001 0.000 0.326 297 c C -1.101 172.966 174.090 -0.038 0.000 1.258 297 c CA -1.174 55.207 56.329 0.087 0.000 1.676 297 c CB 0.855 43.456 42.510 0.151 0.000 2.314 297 c HN 0.761 nan 8.230 nan 0.000 0.509 298 P HA -0.069 nan 4.420 nan 0.000 0.230 298 P C 1.126 178.102 177.300 -0.540 0.000 1.158 298 P CA 1.168 63.968 63.100 -0.501 0.000 0.769 298 P CB 0.074 31.336 31.700 -0.730 0.000 0.807 299 W N 0.656 121.932 121.300 -0.040 0.000 3.180 299 W HA 0.157 4.816 4.660 -0.000 0.000 0.254 299 W C 0.677 177.168 176.519 -0.046 0.000 1.318 299 W CA 0.199 57.516 57.345 -0.046 0.000 1.608 299 W CB -0.482 28.941 29.460 -0.061 0.000 1.124 299 W HN 0.137 nan 8.180 nan 0.000 0.694 300 K N -1.052 119.392 120.400 0.074 0.000 3.467 300 K HA -0.172 4.148 4.320 -0.001 0.000 0.309 300 K C -0.445 176.176 176.600 0.035 0.000 1.350 300 K CA 0.456 56.761 56.287 0.029 0.000 0.934 300 K CB -1.973 30.531 32.500 0.007 0.000 1.312 300 K HN -0.121 nan 8.250 nan 0.000 0.461 301 V N 1.771 121.718 119.914 0.056 0.000 2.407 301 V HA 0.342 4.462 4.120 -0.001 0.000 0.291 301 V C -1.798 174.284 176.094 -0.020 0.000 1.018 301 V CA -1.516 60.789 62.300 0.007 0.000 0.842 301 V CB 1.476 33.297 31.823 -0.003 0.000 0.996 301 V HN -0.025 nan 8.190 nan 0.000 0.426 302 P HA 0.453 nan 4.420 nan 0.000 0.278 302 P C -2.895 174.314 177.300 -0.152 0.000 1.258 302 P CA -2.143 60.913 63.100 -0.073 0.000 0.811 302 P CB 0.803 32.475 31.700 -0.047 0.000 1.063 303 P HA 0.348 nan 4.420 nan 0.000 0.274 303 P C -0.414 176.778 177.300 -0.180 0.000 1.237 303 P CA -0.051 62.831 63.100 -0.363 0.000 0.793 303 P CB 0.590 32.005 31.700 -0.475 0.000 0.977 304 R N 0.098 120.506 120.500 -0.154 0.000 2.621 304 R HA 0.428 4.768 4.340 -0.001 0.000 0.292 304 R C -0.389 175.971 176.300 0.099 0.000 0.969 304 R CA -0.578 55.505 56.100 -0.028 0.000 0.887 304 R CB 1.291 31.552 30.300 -0.065 0.000 1.180 304 R HN 0.355 nan 8.270 nan 0.000 0.450 305 T N 3.955 118.563 114.554 0.089 0.000 2.934 305 T HA 0.050 4.400 4.350 -0.001 0.000 0.306 305 T C 0.665 175.357 174.700 -0.013 0.000 1.042 305 T CA 0.131 62.260 62.100 0.048 0.000 1.145 305 T CB 0.175 69.049 68.868 0.010 0.000 0.982 305 T HN 0.186 nan 8.240 nan 0.000 0.544 306 I N 3.794 124.306 120.570 -0.097 0.000 2.496 306 I HA 0.264 4.433 4.170 -0.001 0.000 0.285 306 I C 0.985 177.051 176.117 -0.085 0.000 1.080 306 I CA 0.046 61.288 61.300 -0.098 0.000 1.404 306 I CB 0.378 38.275 38.000 -0.171 0.000 1.403 306 I HN 0.785 nan 8.210 nan 0.000 0.539 307 S N 3.827 119.489 115.700 -0.064 0.000 2.697 307 S HA 0.445 4.915 4.470 -0.001 0.000 0.289 307 S C 0.299 174.867 174.600 -0.054 0.000 1.149 307 S CA -0.761 57.409 58.200 -0.050 0.000 0.850 307 S CB 2.127 65.305 63.200 -0.036 0.000 1.151 307 S HN 0.504 nan 8.310 nan 0.000 0.491 308 D N 0.606 120.984 120.400 -0.037 0.000 2.263 308 D HA -0.034 4.605 4.640 -0.001 0.000 0.208 308 D C 1.425 177.699 176.300 -0.043 0.000 0.971 308 D CA 1.262 55.242 54.000 -0.034 0.000 0.867 308 D CB -0.185 40.609 40.800 -0.009 0.000 0.929 308 D HN 0.521 nan 8.370 nan 0.000 0.492 309 Q N 0.156 119.934 119.800 -0.036 0.000 2.389 309 Q HA -0.005 4.334 4.340 -0.001 0.000 0.204 309 Q C 1.166 177.142 176.000 -0.040 0.000 0.944 309 Q CA 0.687 56.471 55.803 -0.031 0.000 0.908 309 Q CB -0.007 28.719 28.738 -0.021 0.000 1.002 309 Q HN 0.350 nan 8.270 nan 0.000 0.493 310 N N -1.840 116.827 118.700 -0.054 0.000 2.159 310 N HA -0.009 4.731 4.740 -0.001 0.000 0.217 310 N C 1.002 176.463 175.510 -0.082 0.000 1.223 310 N CA 0.107 53.126 53.050 -0.052 0.000 0.896 310 N CB -0.239 38.225 38.487 -0.039 0.000 1.064 310 N HN 0.039 nan 8.380 nan 0.000 0.518 311 V N 0.477 120.306 119.914 -0.141 0.000 2.490 311 V HA -0.030 4.090 4.120 -0.001 0.000 0.250 311 V C 2.207 178.098 176.094 -0.338 0.000 1.061 311 V CA 2.006 64.170 62.300 -0.226 0.000 1.064 311 V CB -0.814 30.844 31.823 -0.275 0.000 0.670 311 V HN 0.433 nan 8.190 nan 0.000 0.461 312 A N -0.206 122.401 122.820 -0.353 0.000 1.898 312 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 312 A C 2.413 180.039 177.584 0.070 0.000 1.181 312 A CA 2.015 53.977 52.037 -0.125 0.000 0.620 312 A CB -0.933 18.087 19.000 0.033 0.000 0.819 312 A HN 0.780 nan 8.150 nan 0.000 0.442 313 A N -0.464 122.372 122.820 0.027 0.000 1.898 313 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 313 A C 2.231 179.855 177.584 0.067 0.000 1.181 313 A CA 1.284 53.353 52.037 0.054 0.000 0.620 313 A CB -0.423 18.591 19.000 0.024 0.000 0.819 313 A HN 0.393 nan 8.150 nan 0.000 0.442 314 R N 0.218 120.751 120.500 0.055 0.000 2.073 314 R HA -0.069 4.271 4.340 -0.001 0.000 0.234 314 R C 2.405 178.752 176.300 0.079 0.000 1.134 314 R CA 1.643 57.832 56.100 0.149 0.000 0.952 314 R CB -1.090 29.295 30.300 0.142 0.000 0.850 314 R HN 0.532 nan 8.270 nan 0.000 0.433 315 S N 1.339 117.039 115.700 -0.000 0.000 2.382 315 S HA -0.112 4.357 4.470 -0.001 0.000 0.228 315 S C 1.348 175.851 174.600 -0.161 0.000 1.027 315 S CA 1.276 59.387 58.200 -0.149 0.000 0.991 315 S CB -0.202 63.046 63.200 0.081 0.000 0.823 315 S HN 0.271 nan 8.310 nan 0.000 0.469 316 D N 1.635 122.123 120.400 0.146 0.000 2.104 316 D HA -0.083 4.557 4.640 -0.001 0.000 0.194 316 D C 1.894 178.204 176.300 0.016 0.000 0.994 316 D CA 0.908 55.045 54.000 0.228 0.000 0.830 316 D CB -0.415 40.511 40.800 0.210 0.000 0.959 316 D HN 0.298 nan 8.370 nan 0.000 0.452 317 L N -0.047 121.158 121.223 -0.030 0.000 2.056 317 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 317 L C 2.391 179.076 176.870 -0.308 0.000 1.078 317 L CA 0.439 55.234 54.840 -0.076 0.000 0.749 317 L CB -0.182 41.903 42.059 0.043 0.000 0.901 317 L HN 0.064 nan 8.230 nan 0.000 0.433 318 L N -0.942 119.921 121.223 -0.600 0.000 2.072 318 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 318 L C 2.313 178.489 176.870 -1.156 0.000 1.079 318 L CA 1.517 55.676 54.840 -1.135 0.000 0.752 318 L CB -0.290 40.808 42.059 -1.602 0.000 0.906 318 L HN -0.092 nan 8.230 nan 0.000 0.436 319 V N 0.028 119.379 119.914 -0.939 0.000 2.407 319 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 319 V C 2.292 178.202 176.094 -0.307 0.000 1.055 319 V CA 1.911 63.804 62.300 -0.678 0.000 1.049 319 V CB -0.784 30.610 31.823 -0.715 0.000 0.662 319 V HN 0.602 nan 8.190 nan 0.000 0.455 320 D N -0.759 119.531 120.400 -0.184 0.000 2.117 320 D HA -0.207 4.433 4.640 -0.001 0.000 0.197 320 D C 2.222 178.493 176.300 -0.048 0.000 0.987 320 D CA 1.174 55.178 54.000 0.007 0.000 0.829 320 D CB -0.016 40.852 40.800 0.112 0.000 0.961 320 D HN 0.291 nan 8.370 nan 0.000 0.460 321 Q N -0.477 119.225 119.800 -0.163 0.000 2.084 321 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 321 Q C 2.138 178.151 176.000 0.022 0.000 0.978 321 Q CA 0.994 56.729 55.803 -0.113 0.000 0.844 321 Q CB -0.594 28.016 28.738 -0.212 0.000 0.898 321 Q HN 0.557 nan 8.270 nan 0.000 0.426 322 W N 1.468 122.659 121.300 -0.181 0.000 2.358 322 W HA -0.098 4.562 4.660 -0.001 0.000 0.303 322 W C 2.083 178.482 176.519 -0.199 0.000 1.208 322 W CA 0.745 57.982 57.345 -0.180 0.000 1.274 322 W CB -0.666 28.656 29.460 -0.230 0.000 1.138 322 W HN 0.215 nan 8.180 nan 0.000 0.515 323 K N 0.160 120.513 120.400 -0.077 0.000 2.148 323 K HA -0.135 4.185 4.320 -0.001 0.000 0.204 323 K C 1.941 178.404 176.600 -0.228 0.000 1.050 323 K CA 1.193 57.290 56.287 -0.317 0.000 0.942 323 K CB -0.195 31.814 32.500 -0.818 0.000 0.724 323 K HN 0.079 nan 8.250 nan 0.000 0.446 324 K N 0.994 121.343 120.400 -0.084 0.000 2.025 324 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 324 K C 2.100 178.773 176.600 0.122 0.000 1.049 324 K CA 1.175 57.536 56.287 0.125 0.000 0.933 324 K CB -0.009 32.578 32.500 0.145 0.000 0.714 324 K HN 0.007 nan 8.250 nan 0.000 0.438 325 K N 0.822 121.296 120.400 0.123 0.000 2.063 325 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 325 K C 2.022 178.739 176.600 0.194 0.000 1.048 325 K CA 1.331 57.714 56.287 0.159 0.000 0.928 325 K CB -0.106 32.502 32.500 0.181 0.000 0.713 325 K HN 0.149 nan 8.250 nan 0.000 0.442 326 A N 1.155 124.075 122.820 0.166 0.000 2.070 326 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 326 A C 1.690 179.441 177.584 0.278 0.000 1.159 326 A CA 1.282 53.453 52.037 0.224 0.000 0.656 326 A CB -0.298 18.795 19.000 0.156 0.000 0.800 326 A HN 0.309 nan 8.150 nan 0.000 0.453 327 E N 0.012 120.354 120.200 0.237 0.000 2.338 327 E HA -0.081 4.269 4.350 -0.001 0.000 0.197 327 E C 1.561 178.289 176.600 0.212 0.000 1.007 327 E CA 0.613 57.162 56.400 0.249 0.000 0.849 327 E CB -0.218 29.655 29.700 0.288 0.000 0.774 327 E HN 0.723 nan 8.360 nan 0.000 0.506 328 L N -0.564 120.741 121.223 0.136 0.000 2.599 328 L HA 0.043 4.382 4.340 -0.001 0.000 0.230 328 L C 0.262 176.933 176.870 -0.332 0.000 1.141 328 L CA 0.283 55.072 54.840 -0.085 0.000 0.877 328 L CB -0.097 41.793 42.059 -0.281 0.000 1.009 328 L HN -0.000 nan 8.230 nan 0.000 0.447 329 Y N -1.681 118.702 120.300 0.138 0.000 2.633 329 Y HA 0.377 4.926 4.550 -0.001 0.000 0.339 329 Y C 1.129 177.144 175.900 0.191 0.000 1.045 329 Y CA -0.975 57.227 58.100 0.169 0.000 1.098 329 Y CB 1.211 39.780 38.460 0.182 0.000 1.296 329 Y HN -0.294 nan 8.280 nan 0.000 0.494 330 R N -0.601 120.137 120.500 0.396 0.000 2.237 330 R HA 0.088 4.428 4.340 -0.001 0.000 0.195 330 R C 0.371 176.803 176.300 0.220 0.000 0.956 330 R CA 0.805 57.051 56.100 0.244 0.000 1.029 330 R CB 0.265 30.645 30.300 0.132 0.000 0.972 330 R HN 0.753 nan 8.270 nan 0.000 0.493 331 T N -0.743 113.983 114.554 0.286 0.000 2.910 331 T HA 0.102 4.452 4.350 -0.001 0.000 0.279 331 T C 0.636 175.468 174.700 0.221 0.000 0.989 331 T CA -0.914 61.317 62.100 0.219 0.000 0.968 331 T CB 1.149 70.130 68.868 0.188 0.000 1.135 331 T HN 0.082 nan 8.240 nan 0.000 0.562 332 N N -0.022 118.779 118.700 0.168 0.000 2.327 332 N HA 0.143 4.882 4.740 -0.001 0.000 0.231 332 N C -0.737 174.775 175.510 0.004 0.000 1.130 332 N CA -0.375 52.739 53.050 0.106 0.000 0.845 332 N CB -0.117 38.324 38.487 -0.076 0.000 1.073 332 N HN 0.373 nan 8.380 nan 0.000 0.496 333 V N 1.323 121.265 119.914 0.048 0.000 2.409 333 V HA 0.410 4.530 4.120 -0.001 0.000 0.291 333 V C -0.612 175.574 176.094 0.152 0.000 1.020 333 V CA -0.963 61.367 62.300 0.050 0.000 0.848 333 V CB 1.537 33.364 31.823 0.006 0.000 0.990 333 V HN 0.178 nan 8.190 nan 0.000 0.430 334 L N 5.772 127.025 121.223 0.050 0.000 2.341 334 L HA 0.692 5.032 4.340 -0.001 0.000 0.278 334 L C -0.833 175.911 176.870 -0.209 0.000 1.005 334 L CA -0.463 54.324 54.840 -0.089 0.000 0.818 334 L CB 1.660 43.566 42.059 -0.255 0.000 1.259 334 L HN 0.634 nan 8.230 nan 0.000 0.418 335 L N 6.351 127.233 121.223 -0.568 0.000 2.275 335 L HA 0.569 4.909 4.340 -0.001 0.000 0.288 335 L C -1.053 175.531 176.870 -0.477 0.000 1.046 335 L CA 0.108 54.456 54.840 -0.819 0.000 0.805 335 L CB 0.839 41.920 42.059 -1.631 0.000 1.193 335 L HN 0.436 nan 8.230 nan 0.000 0.426 336 I N 7.293 127.668 120.570 -0.324 0.000 2.537 336 I HA 0.342 4.512 4.170 -0.001 0.000 0.276 336 I C -2.301 173.798 176.117 -0.029 0.000 1.063 336 I CA -1.957 59.243 61.300 -0.167 0.000 1.144 336 I CB 1.051 38.932 38.000 -0.198 0.000 1.252 336 I HN 0.428 nan 8.210 nan 0.000 0.480 337 P HA 0.163 nan 4.420 nan 0.000 0.269 337 P C -0.460 177.023 177.300 0.305 0.000 1.209 337 P CA -0.231 63.004 63.100 0.225 0.000 0.776 337 P CB 0.853 32.715 31.700 0.269 0.000 0.876 338 L N 2.884 124.335 121.223 0.381 0.000 2.454 338 L HA 0.757 5.096 4.340 -0.001 0.000 0.258 338 L C -0.135 176.826 176.870 0.151 0.000 1.025 338 L CA 0.388 55.371 54.840 0.239 0.000 0.901 338 L CB 0.467 42.595 42.059 0.115 0.000 1.210 338 L HN 0.610 nan 8.230 nan 0.000 0.457 339 G N 1.650 110.423 108.800 -0.046 0.000 2.342 339 G HA2 0.488 4.447 3.960 -0.001 0.000 0.297 339 G HA3 0.488 4.447 3.960 -0.001 0.000 0.297 339 G C -2.201 172.589 174.900 -0.185 0.000 1.313 339 G CA -0.235 44.582 45.100 -0.472 0.000 0.830 339 G HN 0.390 nan 8.290 nan 0.000 0.506 340 D N -1.753 118.600 120.400 -0.078 0.000 2.879 340 D HA 0.298 4.937 4.640 -0.001 0.000 0.346 340 D C -1.504 174.939 176.300 0.237 0.000 1.390 340 D CA -0.452 53.690 54.000 0.236 0.000 0.838 340 D CB 1.324 42.216 40.800 0.153 0.000 1.416 340 D HN 0.229 nan 8.370 nan 0.000 0.493 341 D N 0.426 121.036 120.400 0.349 0.000 2.450 341 D HA 0.199 4.839 4.640 -0.001 0.000 0.247 341 D C 0.210 176.682 176.300 0.287 0.000 1.162 341 D CA 0.583 54.781 54.000 0.330 0.000 0.879 341 D CB -0.326 40.783 40.800 0.515 0.000 1.163 341 D HN 0.362 nan 8.370 nan 0.000 0.472 342 F N 0.190 120.203 119.950 0.106 0.000 3.048 342 F HA -0.315 4.212 4.527 -0.001 0.000 0.269 342 F C 1.159 176.999 175.800 0.067 0.000 0.960 342 F CA 0.574 58.613 58.000 0.064 0.000 0.909 342 F CB -0.795 38.232 39.000 0.046 0.000 0.837 342 F HN 0.223 nan 8.300 nan 0.000 0.768 343 R N -0.418 120.164 120.500 0.137 0.000 2.580 343 R HA 0.482 4.821 4.340 -0.001 0.000 0.267 343 R C 0.723 177.058 176.300 0.057 0.000 1.125 343 R CA -0.738 55.334 56.100 -0.045 0.000 1.188 343 R CB -0.076 30.094 30.300 -0.218 0.000 1.155 343 R HN 0.234 nan 8.270 nan 0.000 0.586 344 F N -0.724 119.065 119.950 -0.268 0.000 3.040 344 F HA -0.295 4.231 4.527 -0.001 0.000 0.298 344 F C 1.337 177.093 175.800 -0.074 0.000 0.948 344 F CA 1.029 58.669 58.000 -0.600 0.000 1.022 344 F CB -0.933 37.444 39.000 -1.039 0.000 1.023 344 F HN 0.589 nan 8.300 nan 0.000 0.742 345 K N 0.356 120.810 120.400 0.091 0.000 2.107 345 K HA 0.080 4.400 4.320 -0.001 0.000 0.211 345 K C 0.650 177.413 176.600 0.271 0.000 1.024 345 K CA 0.505 56.929 56.287 0.229 0.000 0.953 345 K CB 0.135 32.736 32.500 0.168 0.000 0.831 345 K HN 0.359 nan 8.250 nan 0.000 0.454 346 Q N 1.684 121.600 119.800 0.194 0.000 2.361 346 Q HA 0.017 4.357 4.340 -0.001 0.000 0.276 346 Q C 0.595 176.790 176.000 0.325 0.000 1.022 346 Q CA -0.238 55.704 55.803 0.232 0.000 0.898 346 Q CB 0.713 29.603 28.738 0.254 0.000 1.246 346 Q HN 0.304 nan 8.270 nan 0.000 0.410 347 N N 1.015 119.880 118.700 0.276 0.000 2.149 347 N HA -0.165 4.575 4.740 -0.001 0.000 0.188 347 N C 1.667 177.349 175.510 0.286 0.000 1.019 347 N CA 1.995 55.216 53.050 0.285 0.000 0.857 347 N CB -0.330 38.265 38.487 0.180 0.000 0.997 347 N HN 0.754 nan 8.380 nan 0.000 0.426 348 T N -1.163 113.546 114.554 0.258 0.000 2.833 348 T HA -0.112 4.237 4.350 -0.001 0.000 0.269 348 T C 1.715 176.608 174.700 0.323 0.000 1.054 348 T CA 1.132 63.399 62.100 0.279 0.000 1.135 348 T CB -0.111 68.907 68.868 0.251 0.000 0.869 348 T HN 0.328 nan 8.240 nan 0.000 0.466 349 E N -0.174 120.172 120.200 0.244 0.000 2.072 349 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 349 E C 1.843 178.350 176.600 -0.156 0.000 0.985 349 E CA 0.841 57.155 56.400 -0.144 0.000 0.801 349 E CB -0.267 29.184 29.700 -0.414 0.000 0.750 349 E HN 0.699 nan 8.360 nan 0.000 0.452 350 W N 1.806 123.039 121.300 -0.113 0.000 2.318 350 W HA -0.207 4.452 4.660 -0.001 0.000 0.313 350 W C 2.137 178.520 176.519 -0.226 0.000 1.221 350 W CA 1.405 58.598 57.345 -0.253 0.000 1.266 350 W CB -0.351 28.681 29.460 -0.714 0.000 1.150 350 W HN 0.198 nan 8.180 nan 0.000 0.496 351 D N -0.605 119.896 120.400 0.169 0.000 2.097 351 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 351 D C 2.281 178.664 176.300 0.137 0.000 0.989 351 D CA 1.489 55.616 54.000 0.212 0.000 0.827 351 D CB -1.020 39.912 40.800 0.220 0.000 0.966 351 D HN 0.033 nan 8.370 nan 0.000 0.456 352 V N 0.878 120.861 119.914 0.115 0.000 2.427 352 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 352 V C 2.204 178.326 176.094 0.046 0.000 1.051 352 V CA 1.523 63.872 62.300 0.081 0.000 1.048 352 V CB -0.063 31.858 31.823 0.162 0.000 0.666 352 V HN 0.145 nan 8.190 nan 0.000 0.456 353 Q N -0.286 119.575 119.800 0.102 0.000 2.049 353 Q HA -0.184 4.155 4.340 -0.001 0.000 0.198 353 Q C 2.341 178.531 176.000 0.317 0.000 0.971 353 Q CA 1.865 57.826 55.803 0.263 0.000 0.833 353 Q CB -0.467 28.398 28.738 0.211 0.000 0.896 353 Q HN 0.616 nan 8.270 nan 0.000 0.434 354 R N 0.488 121.135 120.500 0.245 0.000 2.073 354 R HA -0.095 4.244 4.340 -0.001 0.000 0.234 354 R C 2.213 178.681 176.300 0.280 0.000 1.134 354 R CA 1.296 57.595 56.100 0.332 0.000 0.952 354 R CB -0.037 30.443 30.300 0.300 0.000 0.850 354 R HN 0.055 nan 8.270 nan 0.000 0.433 355 V N 1.906 121.902 119.914 0.136 0.000 2.358 355 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 355 V C 1.981 178.010 176.094 -0.107 0.000 1.047 355 V CA 1.767 64.094 62.300 0.044 0.000 1.035 355 V CB -0.585 31.254 31.823 0.027 0.000 0.658 355 V HN 0.432 nan 8.190 nan 0.000 0.452 356 N N -0.609 117.911 118.700 -0.300 0.000 2.142 356 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 356 N C 1.861 177.036 175.510 -0.559 0.000 1.023 356 N CA 1.625 54.280 53.050 -0.659 0.000 0.852 356 N CB -0.307 37.190 38.487 -1.650 0.000 0.998 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.955 122.050 120.300 -0.343 0.000 2.242 357 Y HA -0.082 4.468 4.550 -0.001 0.000 0.291 357 Y C 2.372 177.755 175.900 -0.861 0.000 1.137 357 Y CA 1.045 58.816 58.100 -0.550 0.000 1.181 357 Y CB -0.115 38.109 38.460 -0.393 0.000 0.989 357 Y HN 0.131 nan 8.280 nan 0.000 0.527 358 E N -0.219 119.833 120.200 -0.246 0.000 2.118 358 E HA -0.230 4.120 4.350 -0.001 0.000 0.195 358 E C 2.210 178.759 176.600 -0.085 0.000 0.992 358 E CA 1.066 57.408 56.400 -0.097 0.000 0.804 358 E CB -0.145 29.627 29.700 0.121 0.000 0.741 358 E HN 0.465 nan 8.360 nan 0.000 0.458 359 R N 0.309 120.735 120.500 -0.123 0.000 2.092 359 R HA -0.079 4.260 4.340 -0.001 0.000 0.231 359 R C 2.450 178.719 176.300 -0.052 0.000 1.119 359 R CA 0.820 56.878 56.100 -0.069 0.000 0.970 359 R CB -0.228 30.009 30.300 -0.104 0.000 0.864 359 R HN 0.158 nan 8.270 nan 0.000 0.440 360 L N -0.418 120.704 121.223 -0.167 0.000 2.017 360 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 360 L C 2.196 179.117 176.870 0.085 0.000 1.073 360 L CA 1.522 56.305 54.840 -0.095 0.000 0.745 360 L CB -0.433 41.485 42.059 -0.236 0.000 0.894 360 L HN 0.164 nan 8.230 nan 0.000 0.432 361 F N -0.096 119.871 119.950 0.027 0.000 2.134 361 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 361 F C 2.712 178.521 175.800 0.015 0.000 1.097 361 F CA 1.028 59.032 58.000 0.006 0.000 1.264 361 F CB -0.249 38.714 39.000 -0.061 0.000 1.001 361 F HN 0.164 nan 8.300 nan 0.000 0.479 362 E N -0.010 120.323 120.200 0.223 0.000 2.085 362 E HA -0.309 4.040 4.350 -0.001 0.000 0.194 362 E C 1.975 178.664 176.600 0.149 0.000 0.994 362 E CA 1.560 58.050 56.400 0.150 0.000 0.801 362 E CB -0.169 29.603 29.700 0.119 0.000 0.743 362 E HN 0.474 nan 8.360 nan 0.000 0.453 363 H N 0.250 119.369 119.070 0.082 0.000 2.276 363 H HA -0.053 4.502 4.556 -0.001 0.000 0.301 363 H C 2.046 177.456 175.328 0.138 0.000 1.073 363 H CA 2.186 58.294 56.048 0.099 0.000 1.311 363 H CB -0.222 29.595 29.762 0.091 0.000 1.379 363 H HN 0.144 nan 8.280 nan 0.000 0.494 364 I N 0.468 121.104 120.570 0.110 0.000 2.208 364 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 364 I C 1.638 177.772 176.117 0.030 0.000 1.097 364 I CA 1.414 62.730 61.300 0.028 0.000 1.363 364 I CB -0.301 37.661 38.000 -0.064 0.000 1.051 364 I HN 0.364 nan 8.210 nan 0.000 0.413 365 N N 0.234 118.949 118.700 0.025 0.000 2.459 365 N HA -0.103 4.637 4.740 -0.001 0.000 0.181 365 N C 1.806 177.301 175.510 -0.026 0.000 1.046 365 N CA 1.403 54.445 53.050 -0.014 0.000 0.904 365 N CB -0.219 38.253 38.487 -0.025 0.000 0.964 365 N HN 0.405 nan 8.380 nan 0.000 0.444 366 S N -1.049 114.631 115.700 -0.033 0.000 2.535 366 S HA 0.146 4.616 4.470 -0.001 0.000 0.214 366 S C 0.529 175.079 174.600 -0.083 0.000 0.980 366 S CA -0.183 57.990 58.200 -0.045 0.000 0.907 366 S CB 0.303 63.490 63.200 -0.022 0.000 0.790 366 S HN -0.055 nan 8.310 nan 0.000 0.510 367 Q N 1.393 121.115 119.800 -0.130 0.000 2.465 367 Q HA 0.555 4.894 4.340 -0.001 0.000 0.237 367 Q C 0.941 176.799 176.000 -0.236 0.000 1.051 367 Q CA 0.081 55.763 55.803 -0.203 0.000 0.874 367 Q CB 1.076 29.574 28.738 -0.400 0.000 1.207 367 Q HN 0.448 nan 8.270 nan 0.000 0.508 368 A N 2.575 125.328 122.820 -0.111 0.000 1.986 368 A HA -0.269 4.050 4.320 -0.001 0.000 0.220 368 A C 1.602 179.121 177.584 -0.109 0.000 1.171 368 A CA 2.165 54.153 52.037 -0.082 0.000 0.640 368 A CB -0.726 18.254 19.000 -0.033 0.000 0.811 368 A HN 0.891 nan 8.150 nan 0.000 0.451 369 H N -3.253 115.738 119.070 -0.131 0.000 2.489 369 H HA -0.053 4.503 4.556 -0.001 0.000 0.295 369 H C 1.510 176.781 175.328 -0.095 0.000 1.082 369 H CA 1.624 57.582 56.048 -0.150 0.000 1.295 369 H CB -0.699 28.917 29.762 -0.244 0.000 1.380 369 H HN 0.517 nan 8.280 nan 0.000 0.548 370 F N 0.734 120.373 119.950 -0.517 0.000 2.367 370 F HA 0.007 4.534 4.527 -0.001 0.000 0.298 370 F C 0.641 176.368 175.800 -0.120 0.000 1.094 370 F CA 0.222 58.067 58.000 -0.259 0.000 1.409 370 F CB 0.030 38.854 39.000 -0.294 0.000 1.064 370 F HN 0.110 nan 8.300 nan 0.000 0.528 371 N N 0.962 119.695 118.700 0.055 0.000 2.725 371 N HA -0.164 4.576 4.740 -0.001 0.000 0.251 371 N C -1.149 174.331 175.510 -0.050 0.000 1.031 371 N CA 0.379 53.444 53.050 0.024 0.000 0.720 371 N CB -1.474 37.075 38.487 0.104 0.000 0.930 371 N HN 0.038 nan 8.380 nan 0.000 0.543 372 V N 0.611 120.489 119.914 -0.060 0.000 2.735 372 V HA 0.411 4.531 4.120 -0.001 0.000 0.310 372 V C 0.099 176.105 176.094 -0.147 0.000 1.061 372 V CA -0.678 61.537 62.300 -0.141 0.000 0.913 372 V CB 2.498 34.263 31.823 -0.096 0.000 1.005 372 V HN 0.196 nan 8.190 nan 0.000 0.428 373 Q N 3.065 122.726 119.800 -0.232 0.000 2.363 373 Q HA 0.754 5.094 4.340 -0.001 0.000 0.265 373 Q C -0.808 174.938 176.000 -0.424 0.000 1.032 373 Q CA -0.152 55.491 55.803 -0.266 0.000 0.746 373 Q CB 1.588 30.172 28.738 -0.256 0.000 1.237 373 Q HN 0.999 nan 8.270 nan 0.000 0.475 374 A N 4.395 126.948 122.820 -0.445 0.000 2.337 374 A HA 0.882 5.201 4.320 -0.001 0.000 0.329 374 A C -1.102 175.790 177.584 -1.153 0.000 1.146 374 A CA -0.481 51.120 52.037 -0.727 0.000 0.800 374 A CB 1.067 19.815 19.000 -0.420 0.000 1.220 374 A HN 0.815 nan 8.150 nan 0.000 0.472 375 Q N 0.872 119.899 119.800 -1.289 0.000 2.575 375 Q HA 0.539 4.878 4.340 -0.001 0.000 0.290 375 Q C -1.550 174.018 176.000 -0.720 0.000 0.963 375 Q CA -0.790 54.290 55.803 -1.204 0.000 0.783 375 Q CB 0.849 29.255 28.738 -0.553 0.000 1.467 375 Q HN 0.482 nan 8.270 nan 0.000 0.402 376 F N 0.328 120.191 119.950 -0.145 0.000 2.518 376 F HA 0.595 5.121 4.527 -0.001 0.000 0.359 376 F C 1.159 177.009 175.800 0.084 0.000 1.118 376 F CA 1.081 59.129 58.000 0.080 0.000 1.287 376 F CB 1.168 40.270 39.000 0.170 0.000 1.132 376 F HN 0.738 nan 8.300 nan 0.000 0.587 377 G N 0.565 109.550 108.800 0.309 0.000 2.687 377 G HA2 0.580 4.540 3.960 -0.001 0.000 0.291 377 G HA3 0.580 4.540 3.960 -0.001 0.000 0.291 377 G C -1.194 173.706 174.900 0.000 0.000 1.420 377 G CA -0.743 44.474 45.100 0.194 0.000 0.796 377 G HN 0.654 nan 8.290 nan 0.000 0.485 378 T N -1.863 112.609 114.554 -0.136 0.000 2.937 378 T HA 0.477 4.827 4.350 -0.001 0.000 0.283 378 T C 1.273 175.807 174.700 -0.276 0.000 1.012 378 T CA -0.467 61.514 62.100 -0.199 0.000 0.997 378 T CB 1.557 70.322 68.868 -0.171 0.000 1.136 378 T HN 0.568 nan 8.240 nan 0.000 0.551 379 L N 0.543 121.603 121.223 -0.272 0.000 2.046 379 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 379 L C 2.766 179.577 176.870 -0.098 0.000 1.077 379 L CA 1.976 56.680 54.840 -0.226 0.000 0.747 379 L CB -1.129 40.829 42.059 -0.169 0.000 0.896 379 L HN 0.896 nan 8.230 nan 0.000 0.432 380 Q N -0.053 119.722 119.800 -0.042 0.000 2.124 380 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 380 Q C 2.062 177.989 176.000 -0.122 0.000 0.977 380 Q CA 1.983 57.797 55.803 0.020 0.000 0.850 380 Q CB -0.168 28.557 28.738 -0.021 0.000 0.901 380 Q HN 0.640 nan 8.270 nan 0.000 0.429 381 E N -1.181 118.853 120.200 -0.277 0.000 2.077 381 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 381 E C 1.692 177.835 176.600 -0.762 0.000 0.989 381 E CA 1.159 57.271 56.400 -0.480 0.000 0.800 381 E CB -0.314 29.031 29.700 -0.592 0.000 0.746 381 E HN 0.474 nan 8.360 nan 0.000 0.452 382 Y N 0.622 120.366 120.300 -0.927 0.000 2.097 382 Y HA -0.258 4.291 4.550 -0.001 0.000 0.282 382 Y C 1.843 177.439 175.900 -0.508 0.000 1.152 382 Y CA 1.663 59.251 58.100 -0.852 0.000 1.136 382 Y CB -0.604 37.387 38.460 -0.782 0.000 0.975 382 Y HN -0.040 nan 8.280 nan 0.000 0.498 383 F N 0.529 120.209 119.950 -0.451 0.000 2.171 383 F HA -0.222 4.304 4.527 -0.001 0.000 0.300 383 F C 2.215 177.778 175.800 -0.394 0.000 1.090 383 F CA 1.261 58.977 58.000 -0.473 0.000 1.293 383 F CB -0.314 38.603 39.000 -0.140 0.000 1.013 383 F HN 0.081 nan 8.300 nan 0.000 0.486 384 D N 0.335 120.680 120.400 -0.092 0.000 2.117 384 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 384 D C 2.283 178.507 176.300 -0.128 0.000 0.987 384 D CA 1.424 55.382 54.000 -0.071 0.000 0.829 384 D CB -0.527 40.222 40.800 -0.085 0.000 0.961 384 D HN 0.256 nan 8.370 nan 0.000 0.460 385 A N 0.453 123.142 122.820 -0.219 0.000 1.930 385 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 385 A C 2.523 179.986 177.584 -0.201 0.000 1.175 385 A CA 0.920 52.873 52.037 -0.140 0.000 0.627 385 A CB -0.650 18.347 19.000 -0.006 0.000 0.815 385 A HN 0.131 nan 8.150 nan 0.000 0.443 386 V N 0.001 119.657 119.914 -0.430 0.000 2.287 386 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 386 V C 2.417 178.319 176.094 -0.319 0.000 1.053 386 V CA 2.139 64.183 62.300 -0.427 0.000 1.027 386 V CB -1.034 30.348 31.823 -0.735 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.281 118.672 119.070 -0.195 0.000 2.457 387 H HA -0.088 4.467 4.556 -0.001 0.000 0.294 387 H C 2.405 177.699 175.328 -0.057 0.000 1.064 387 H CA 1.363 57.329 56.048 -0.136 0.000 1.330 387 H CB -0.067 29.575 29.762 -0.201 0.000 1.395 387 H HN 0.560 nan 8.280 nan 0.000 0.541 388 Q N 0.256 120.072 119.800 0.026 0.000 2.079 388 Q HA -0.049 4.291 4.340 -0.001 0.000 0.200 388 Q C 2.568 178.587 176.000 0.030 0.000 0.974 388 Q CA 1.228 57.045 55.803 0.023 0.000 0.840 388 Q CB 0.016 28.757 28.738 0.004 0.000 0.898 388 Q HN 0.403 nan 8.270 nan 0.000 0.430 389 A N 1.098 123.932 122.820 0.024 0.000 1.902 389 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 389 A C 1.941 179.557 177.584 0.054 0.000 1.181 389 A CA 1.612 53.676 52.037 0.045 0.000 0.623 389 A CB -0.556 18.475 19.000 0.051 0.000 0.818 389 A HN 0.449 nan 8.150 nan 0.000 0.443 390 E N -0.167 120.082 120.200 0.083 0.000 2.038 390 E HA -0.235 4.115 4.350 -0.001 0.000 0.195 390 E C 2.219 178.859 176.600 0.067 0.000 1.000 390 E CA 1.274 57.732 56.400 0.098 0.000 0.803 390 E CB -0.158 29.708 29.700 0.276 0.000 0.750 390 E HN 0.578 nan 8.360 nan 0.000 0.448 391 R N -0.296 120.247 120.500 0.071 0.000 2.152 391 R HA -0.047 4.293 4.340 -0.001 0.000 0.232 391 R C 2.072 178.390 176.300 0.030 0.000 1.117 391 R CA 0.814 56.941 56.100 0.045 0.000 0.981 391 R CB -0.129 30.192 30.300 0.036 0.000 0.870 391 R HN 0.145 nan 8.270 nan 0.000 0.451 392 A N 0.225 123.064 122.820 0.032 0.000 2.235 392 A HA 0.181 4.501 4.320 -0.001 0.000 0.208 392 A C 1.341 178.937 177.584 0.019 0.000 1.172 392 A CA 0.747 52.800 52.037 0.026 0.000 0.786 392 A CB -0.160 18.861 19.000 0.035 0.000 0.804 392 A HN 0.437 nan 8.150 nan 0.000 0.479 393 G N -0.987 107.822 108.800 0.014 0.000 2.143 393 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.248 393 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.248 393 G C 0.748 175.641 174.900 -0.011 0.000 0.991 393 G CA 0.625 45.724 45.100 -0.002 0.000 0.689 393 G HN 0.574 nan 8.290 nan 0.000 0.522 394 Q N -0.588 119.211 119.800 -0.001 0.000 2.331 394 Q HA 0.512 4.851 4.340 -0.001 0.000 0.203 394 Q C 1.074 177.052 176.000 -0.036 0.000 0.944 394 Q CA 1.437 57.244 55.803 0.006 0.000 0.892 394 Q CB 0.045 28.820 28.738 0.061 0.000 0.983 394 Q HN 1.359 nan 8.270 nan 0.000 0.482 395 A N 0.172 122.928 122.820 -0.107 0.000 2.612 395 A HA 0.564 4.884 4.320 -0.001 0.000 0.293 395 A C -1.609 175.749 177.584 -0.376 0.000 1.075 395 A CA -0.752 51.132 52.037 -0.255 0.000 0.680 395 A CB 1.451 20.241 19.000 -0.351 0.000 1.279 395 A HN 0.206 nan 8.150 nan 0.000 0.411 396 E N -0.007 119.943 120.200 -0.416 0.000 2.288 396 E HA 0.642 4.992 4.350 -0.001 0.000 0.268 396 E C -1.707 174.646 176.600 -0.412 0.000 0.885 396 E CA -0.335 55.885 56.400 -0.299 0.000 0.767 396 E CB 2.248 31.891 29.700 -0.095 0.000 1.220 396 E HN 0.470 nan 8.360 nan 0.000 0.427 397 F N 2.177 122.233 119.950 0.176 0.000 2.492 397 F HA 0.416 4.943 4.527 -0.000 0.000 0.327 397 F C -1.786 174.113 175.800 0.165 0.000 1.079 397 F CA -2.005 56.120 58.000 0.209 0.000 0.967 397 F CB 1.246 40.449 39.000 0.337 0.000 1.169 397 F HN 0.258 nan 8.300 nan 0.000 0.472 398 P HA 0.170 nan 4.420 nan 0.000 0.274 398 P C -0.707 176.730 177.300 0.228 0.000 1.237 398 P CA -0.385 62.842 63.100 0.212 0.000 0.793 398 P CB 1.009 32.801 31.700 0.155 0.000 0.977 399 T N -0.616 114.025 114.554 0.146 0.000 2.907 399 T HA 0.679 5.028 4.350 -0.001 0.000 0.284 399 T C -0.294 174.434 174.700 0.046 0.000 1.004 399 T CA -0.793 61.385 62.100 0.131 0.000 1.063 399 T CB 1.028 69.952 68.868 0.093 0.000 0.992 399 T HN 0.463 nan 8.240 nan 0.000 0.483 400 L N 1.768 123.017 121.223 0.044 0.000 2.472 400 L HA 0.725 5.064 4.340 -0.001 0.000 0.260 400 L C -0.734 176.128 176.870 -0.013 0.000 0.963 400 L CA -0.426 54.335 54.840 -0.132 0.000 0.829 400 L CB 2.191 43.931 42.059 -0.531 0.000 1.348 400 L HN 1.114 nan 8.230 nan 0.000 0.408 401 S N 2.455 118.102 115.700 -0.088 0.000 2.595 401 S HA 1.060 5.530 4.470 -0.001 0.000 0.281 401 S C -0.331 174.197 174.600 -0.121 0.000 1.117 401 S CA -0.009 58.198 58.200 0.011 0.000 0.873 401 S CB 2.061 65.234 63.200 -0.046 0.000 1.108 401 S HN 1.702 nan 8.310 nan 0.000 0.477 402 G N 1.051 109.836 108.800 -0.025 0.000 2.331 402 G HA2 0.321 4.280 3.960 -0.001 0.000 0.479 402 G HA3 0.321 4.280 3.960 -0.001 0.000 0.479 402 G C -1.785 173.020 174.900 -0.157 0.000 1.262 402 G CA 0.023 45.013 45.100 -0.184 0.000 1.029 402 G HN 1.308 nan 8.290 nan 0.000 0.487 403 D N -1.621 118.547 120.400 -0.387 0.000 2.687 403 D HA 0.745 5.384 4.640 -0.001 0.000 0.264 403 D C -0.607 175.180 176.300 -0.854 0.000 1.091 403 D CA -1.059 52.725 54.000 -0.360 0.000 1.123 403 D CB 1.056 41.828 40.800 -0.046 0.000 1.407 403 D HN 0.443 nan 8.370 nan 0.000 0.591 404 F N -0.485 119.335 119.950 -0.217 0.000 2.679 404 F HA 0.413 4.940 4.527 -0.001 0.000 0.354 404 F C -0.794 174.835 175.800 -0.285 0.000 1.423 404 F CA -0.667 57.207 58.000 -0.211 0.000 1.141 404 F CB 0.275 39.184 39.000 -0.153 0.000 1.168 404 F HN -0.003 nan 8.300 nan 0.000 0.530 405 F N -0.630 119.498 119.950 0.296 0.000 2.546 405 F HA 0.524 5.050 4.527 -0.001 0.000 0.320 405 F C 0.565 176.619 175.800 0.424 0.000 1.076 405 F CA -1.169 57.075 58.000 0.406 0.000 0.928 405 F CB 1.881 41.113 39.000 0.386 0.000 1.189 405 F HN -0.269 nan 8.300 nan 0.000 0.465 406 T N 1.723 116.657 114.554 0.634 0.000 2.806 406 T HA 0.131 4.481 4.350 -0.001 0.000 0.290 406 T C -0.931 174.241 174.700 0.786 0.000 0.966 406 T CA -0.240 62.304 62.100 0.739 0.000 1.060 406 T CB 0.245 69.415 68.868 0.504 0.000 0.927 406 T HN 0.360 nan 8.240 nan 0.000 0.485 407 Y N 3.023 123.657 120.300 0.557 0.000 2.511 407 Y HA 0.422 4.971 4.550 -0.001 0.000 0.332 407 Y C -0.142 175.816 175.900 0.096 0.000 1.177 407 Y CA -1.115 57.146 58.100 0.268 0.000 1.422 407 Y CB 0.111 38.610 38.460 0.065 0.000 1.271 407 Y HN 0.679 nan 8.280 nan 0.000 0.550 408 A N 5.191 127.581 122.820 -0.716 0.000 2.374 408 A HA 0.364 4.684 4.320 -0.001 0.000 0.305 408 A C -0.065 176.913 177.584 -1.009 0.000 1.053 408 A CA -0.268 51.183 52.037 -0.976 0.000 0.726 408 A CB 0.705 18.878 19.000 -1.379 0.000 1.229 408 A HN 0.805 nan 8.150 nan 0.000 0.431 409 D N 1.519 121.469 120.400 -0.751 0.000 2.346 409 D HA 0.056 4.695 4.640 -0.001 0.000 0.206 409 D C 0.510 176.820 176.300 0.017 0.000 1.001 409 D CA 0.505 54.318 54.000 -0.312 0.000 0.871 409 D CB 0.165 40.903 40.800 -0.104 0.000 0.943 409 D HN 0.732 nan 8.370 nan 0.000 0.518 410 R N -1.203 119.248 120.500 -0.082 0.000 2.739 410 R HA 0.321 4.661 4.340 -0.001 0.000 0.266 410 R C 0.166 176.365 176.300 -0.170 0.000 1.044 410 R CA -0.067 55.832 56.100 -0.335 0.000 0.885 410 R CB 0.541 30.724 30.300 -0.195 0.000 1.260 410 R HN -0.007 nan 8.270 nan 0.000 0.477 411 S N 1.134 116.690 115.700 -0.240 0.000 4.106 411 S HA -0.376 4.093 4.470 -0.001 0.000 0.541 411 S C 0.653 175.338 174.600 0.141 0.000 1.846 411 S CA 1.710 59.915 58.200 0.008 0.000 4.137 411 S CB -1.600 61.588 63.200 -0.020 0.000 0.892 411 S HN 1.068 nan 8.310 nan 0.000 0.535 412 D N 1.606 122.076 120.400 0.118 0.000 2.427 412 D HA 0.184 4.824 4.640 -0.001 0.000 0.224 412 D C -0.158 176.259 176.300 0.194 0.000 1.157 412 D CA -0.290 53.847 54.000 0.230 0.000 0.828 412 D CB -1.557 39.362 40.800 0.199 0.000 0.974 412 D HN 0.640 nan 8.370 nan 0.000 0.498 413 N N 0.967 119.681 118.700 0.023 0.000 2.739 413 N HA 0.048 4.787 4.740 -0.001 0.000 0.266 413 N C -0.921 174.612 175.510 0.038 0.000 1.168 413 N CA -0.293 52.774 53.050 0.028 0.000 1.055 413 N CB 0.137 38.624 38.487 -0.000 0.000 1.393 413 N HN 0.141 nan 8.380 nan 0.000 0.514 414 Y N 0.192 120.585 120.300 0.156 0.000 2.316 414 Y HA 0.111 4.660 4.550 -0.001 0.000 0.331 414 Y C 0.121 176.224 175.900 0.339 0.000 1.083 414 Y CA -0.671 57.583 58.100 0.258 0.000 1.206 414 Y CB 0.571 39.130 38.460 0.166 0.000 1.195 414 Y HN 0.394 nan 8.280 nan 0.000 0.497 415 W N 2.456 123.890 121.300 0.223 0.000 1.694 415 W HA 0.215 4.875 4.660 -0.001 0.000 0.425 415 W C 0.882 177.451 176.519 0.084 0.000 0.615 415 W CA -0.514 56.993 57.345 0.270 0.000 2.237 415 W CB -0.484 29.241 29.460 0.442 0.000 1.478 415 W HN 0.554 nan 8.180 nan 0.000 0.427 416 S N -2.113 113.622 115.700 0.058 0.000 2.535 416 S HA 0.123 4.592 4.470 -0.001 0.000 0.214 416 S C 1.966 176.291 174.600 -0.457 0.000 0.980 416 S CA 0.342 58.205 58.200 -0.563 0.000 0.907 416 S CB 0.136 63.325 63.200 -0.019 0.000 0.790 416 S HN 0.338 nan 8.310 nan 0.000 0.510 417 G N 2.014 110.748 108.800 -0.110 0.000 2.422 417 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.218 417 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.218 417 G C 1.250 176.125 174.900 -0.041 0.000 1.146 417 G CA 0.904 45.950 45.100 -0.091 0.000 0.769 417 G HN 0.809 nan 8.290 nan 0.000 0.547 418 Y N -0.898 119.375 120.300 -0.046 0.000 2.632 418 Y HA 0.190 4.740 4.550 -0.001 0.000 0.301 418 Y C 1.930 177.953 175.900 0.206 0.000 1.172 418 Y CA -0.070 58.081 58.100 0.084 0.000 1.328 418 Y CB -0.527 38.065 38.460 0.220 0.000 1.016 418 Y HN 0.335 nan 8.280 nan 0.000 0.529 419 Y N 0.230 120.299 120.300 -0.386 0.000 2.574 419 Y HA -0.093 4.457 4.550 -0.001 0.000 0.294 419 Y C 1.450 177.296 175.900 -0.090 0.000 1.142 419 Y CA 0.625 58.536 58.100 -0.313 0.000 1.314 419 Y CB 0.183 38.503 38.460 -0.234 0.000 0.991 419 Y HN 0.260 nan 8.280 nan 0.000 0.555 420 T N -2.341 112.278 114.554 0.108 0.000 2.980 420 T HA 0.046 4.396 4.350 -0.001 0.000 0.252 420 T C 0.633 175.419 174.700 0.143 0.000 0.962 420 T CA -0.168 61.998 62.100 0.111 0.000 0.932 420 T CB 0.128 69.033 68.868 0.062 0.000 1.188 420 T HN -0.093 nan 8.240 nan 0.000 0.500 421 S N 2.428 118.209 115.700 0.136 0.000 2.573 421 S HA 0.183 4.652 4.470 -0.001 0.000 0.297 421 S C 0.402 175.134 174.600 0.220 0.000 1.280 421 S CA 0.036 58.328 58.200 0.153 0.000 1.061 421 S CB 0.081 63.359 63.200 0.129 0.000 0.812 421 S HN 0.406 nan 8.310 nan 0.000 0.500 422 R N 1.013 121.659 120.500 0.244 0.000 3.146 422 R HA -0.122 4.217 4.340 -0.001 0.000 0.250 422 R C -1.983 174.559 176.300 0.403 0.000 0.912 422 R CA 0.689 57.008 56.100 0.364 0.000 0.633 422 R CB -1.753 28.793 30.300 0.410 0.000 1.180 422 R HN 0.508 nan 8.270 nan 0.000 0.464 423 P HA -0.221 nan 4.420 nan 0.000 0.223 423 P C 1.115 178.614 177.300 0.331 0.000 1.151 423 P CA 0.968 64.279 63.100 0.351 0.000 0.787 423 P CB -0.018 31.935 31.700 0.422 0.000 0.788 424 Y N 1.511 121.891 120.300 0.133 0.000 2.165 424 Y HA -0.260 4.289 4.550 -0.001 0.000 0.286 424 Y C 2.298 178.159 175.900 -0.066 0.000 1.155 424 Y CA 2.091 60.182 58.100 -0.013 0.000 1.164 424 Y CB -0.936 37.390 38.460 -0.223 0.000 0.978 424 Y HN 0.066 nan 8.280 nan 0.000 0.513 425 H N -0.899 118.393 119.070 0.370 0.000 2.470 425 H HA 0.018 4.574 4.556 -0.001 0.000 0.289 425 H C 2.056 177.508 175.328 0.206 0.000 1.033 425 H CA 1.260 57.443 56.048 0.226 0.000 1.331 425 H CB -0.073 29.889 29.762 0.333 0.000 1.414 425 H HN 0.239 nan 8.280 nan 0.000 0.545 426 K N 0.373 120.974 120.400 0.335 0.000 2.057 426 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 426 K C 2.256 178.900 176.600 0.074 0.000 1.049 426 K CA 1.250 57.679 56.287 0.236 0.000 0.931 426 K CB 0.063 32.684 32.500 0.202 0.000 0.714 426 K HN 0.028 nan 8.250 nan 0.000 0.440 427 R N 1.378 121.889 120.500 0.018 0.000 2.075 427 R HA -0.012 4.327 4.340 -0.001 0.000 0.232 427 R C 2.056 178.094 176.300 -0.438 0.000 1.126 427 R CA 1.455 57.497 56.100 -0.096 0.000 0.963 427 R CB -0.440 29.896 30.300 0.060 0.000 0.858 427 R HN 0.162 nan 8.270 nan 0.000 0.435 428 M N 0.286 119.481 119.600 -0.674 0.000 2.149 428 M HA -0.211 4.269 4.480 -0.001 0.000 0.261 428 M C 1.467 177.391 176.300 -0.627 0.000 1.064 428 M CA 2.437 57.078 55.300 -1.099 0.000 1.102 428 M CB -0.342 31.792 32.600 -0.777 0.000 1.369 428 M HN 0.291 nan 8.290 nan 0.000 0.408 429 D N -0.290 119.945 120.400 -0.275 0.000 2.116 429 D HA -0.222 4.418 4.640 -0.001 0.000 0.193 429 D C 1.890 178.095 176.300 -0.159 0.000 0.998 429 D CA 1.494 55.441 54.000 -0.088 0.000 0.836 429 D CB 0.111 41.014 40.800 0.171 0.000 0.951 429 D HN 0.222 nan 8.370 nan 0.000 0.449 430 R N 0.057 120.449 120.500 -0.179 0.000 2.092 430 R HA -0.014 4.326 4.340 -0.001 0.000 0.231 430 R C 2.443 178.624 176.300 -0.198 0.000 1.119 430 R CA 0.450 56.456 56.100 -0.156 0.000 0.970 430 R CB -0.985 29.247 30.300 -0.113 0.000 0.864 430 R HN 0.263 nan 8.270 nan 0.000 0.440 431 V N 1.555 121.247 119.914 -0.370 0.000 2.261 431 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 431 V C 2.377 178.256 176.094 -0.359 0.000 1.047 431 V CA 1.581 63.630 62.300 -0.418 0.000 1.015 431 V CB -0.599 30.680 31.823 -0.907 0.000 0.642 431 V HN 0.140 nan 8.190 nan 0.000 0.446 432 L N -0.406 120.541 121.223 -0.459 0.000 2.131 432 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 432 L C 2.305 179.092 176.870 -0.138 0.000 1.092 432 L CA 2.008 56.655 54.840 -0.321 0.000 0.759 432 L CB -0.676 41.194 42.059 -0.315 0.000 0.903 432 L HN 0.339 nan 8.230 nan 0.000 0.435 433 M N -1.280 118.243 119.600 -0.129 0.000 2.073 433 M HA -0.335 4.144 4.480 -0.001 0.000 0.258 433 M C 2.383 178.643 176.300 -0.067 0.000 1.070 433 M CA 2.453 57.686 55.300 -0.111 0.000 1.103 433 M CB -0.418 32.089 32.600 -0.156 0.000 1.321 433 M HN 0.558 nan 8.290 nan 0.000 0.405 434 H N -0.734 118.298 119.070 -0.062 0.000 2.357 434 H HA -0.158 4.397 4.556 -0.001 0.000 0.301 434 H C 1.492 176.886 175.328 0.109 0.000 1.082 434 H CA 2.338 58.391 56.048 0.008 0.000 1.342 434 H CB -0.376 29.402 29.762 0.027 0.000 1.389 434 H HN 0.474 nan 8.280 nan 0.000 0.511 435 Y N -0.362 119.795 120.300 -0.238 0.000 2.224 435 Y HA -0.165 4.384 4.550 -0.001 0.000 0.289 435 Y C 2.739 178.522 175.900 -0.196 0.000 1.146 435 Y CA 1.223 59.194 58.100 -0.215 0.000 1.182 435 Y CB -0.622 37.771 38.460 -0.112 0.000 0.983 435 Y HN 0.126 nan 8.280 nan 0.000 0.524 436 V N 0.051 119.958 119.914 -0.012 0.000 2.307 436 V HA -0.293 3.827 4.120 -0.001 0.000 0.245 436 V C 2.526 178.565 176.094 -0.093 0.000 1.045 436 V CA 2.119 64.385 62.300 -0.057 0.000 1.024 436 V CB -0.591 31.189 31.823 -0.072 0.000 0.651 436 V HN 0.296 nan 8.190 nan 0.000 0.449 437 R N 0.461 120.885 120.500 -0.127 0.000 2.083 437 R HA -0.201 4.139 4.340 -0.001 0.000 0.237 437 R C 2.252 178.492 176.300 -0.099 0.000 1.137 437 R CA 1.999 58.032 56.100 -0.112 0.000 0.951 437 R CB -0.520 29.711 30.300 -0.116 0.000 0.851 437 R HN 0.461 nan 8.270 nan 0.000 0.434 438 A N 0.609 123.314 122.820 -0.193 0.000 1.898 438 A HA -0.052 4.268 4.320 -0.001 0.000 0.216 438 A C 2.378 179.922 177.584 -0.066 0.000 1.181 438 A CA 1.599 53.589 52.037 -0.079 0.000 0.620 438 A CB -0.745 18.145 19.000 -0.183 0.000 0.819 438 A HN 0.582 nan 8.150 nan 0.000 0.442 439 A N -0.152 122.616 122.820 -0.087 0.000 1.898 439 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 439 A C 1.940 179.479 177.584 -0.076 0.000 1.181 439 A CA 1.569 53.563 52.037 -0.071 0.000 0.620 439 A CB -0.501 18.464 19.000 -0.058 0.000 0.819 439 A HN 0.623 nan 8.150 nan 0.000 0.442 440 E N -1.001 119.152 120.200 -0.077 0.000 2.072 440 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 440 E C 2.064 178.605 176.600 -0.098 0.000 0.985 440 E CA 1.328 57.674 56.400 -0.090 0.000 0.801 440 E CB -0.252 29.397 29.700 -0.086 0.000 0.750 440 E HN 0.749 nan 8.360 nan 0.000 0.452 441 M N 0.738 120.302 119.600 -0.060 0.000 2.099 441 M HA -0.142 4.338 4.480 -0.001 0.000 0.262 441 M C 2.160 178.454 176.300 -0.010 0.000 1.067 441 M CA 1.334 56.599 55.300 -0.057 0.000 1.124 441 M CB 0.046 32.709 32.600 0.105 0.000 1.353 441 M HN 0.072 nan 8.290 nan 0.000 0.410 442 L N 0.043 121.310 121.223 0.073 0.000 2.083 442 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 442 L C 2.611 179.634 176.870 0.254 0.000 1.083 442 L CA 1.708 56.649 54.840 0.169 0.000 0.752 442 L CB -0.544 41.464 42.059 -0.084 0.000 0.899 442 L HN 0.512 nan 8.230 nan 0.000 0.433 443 S N -1.001 114.770 115.700 0.118 0.000 2.527 443 S HA 0.072 4.542 4.470 -0.001 0.000 0.222 443 S C 1.978 176.745 174.600 0.277 0.000 0.985 443 S CA 0.381 58.725 58.200 0.240 0.000 0.921 443 S CB 0.026 63.174 63.200 -0.087 0.000 0.772 443 S HN 0.296 nan 8.310 nan 0.000 0.529 444 A N 1.039 123.850 122.820 -0.016 0.000 2.015 444 A HA 0.078 4.398 4.320 -0.001 0.000 0.219 444 A C 1.718 179.195 177.584 -0.177 0.000 1.163 444 A CA 0.832 52.764 52.037 -0.176 0.000 0.646 444 A CB -1.215 17.529 19.000 -0.427 0.000 0.806 444 A HN 0.754 nan 8.150 nan 0.000 0.448 445 W N -0.628 120.683 121.300 0.018 0.000 2.364 445 W HA -0.057 4.603 4.660 -0.001 0.000 0.281 445 W C 0.941 177.258 176.519 -0.336 0.000 1.219 445 W CA 1.108 58.367 57.345 -0.143 0.000 1.220 445 W CB -0.199 29.135 29.460 -0.211 0.000 1.127 445 W HN 0.401 nan 8.180 nan 0.000 0.556 446 H N -2.416 116.707 119.070 0.088 0.000 2.771 446 H HA 0.359 4.914 4.556 -0.001 0.000 0.367 446 H C -0.403 174.822 175.328 -0.172 0.000 1.172 446 H CA -0.952 54.990 56.048 -0.176 0.000 1.186 446 H CB 1.704 31.115 29.762 -0.586 0.000 1.790 446 H HN -0.435 nan 8.280 nan 0.000 0.556 447 S N 0.836 116.490 115.700 -0.075 0.000 2.537 447 S HA 0.284 4.754 4.470 -0.001 0.000 0.275 447 S C -1.332 173.166 174.600 -0.170 0.000 1.272 447 S CA -0.623 57.559 58.200 -0.030 0.000 1.050 447 S CB 0.161 63.348 63.200 -0.020 0.000 0.961 447 S HN 0.400 nan 8.310 nan 0.000 0.496 448 W N 2.485 123.783 121.300 -0.002 0.000 2.666 448 W HA 0.361 5.021 4.660 -0.001 0.000 0.334 448 W C 0.178 176.653 176.519 -0.073 0.000 1.051 448 W CA -0.797 56.520 57.345 -0.047 0.000 1.224 448 W CB 0.668 30.065 29.460 -0.105 0.000 1.405 448 W HN 0.589 nan 8.180 nan 0.000 0.513 449 D N 1.104 121.587 120.400 0.138 0.000 2.443 449 D HA -0.015 4.624 4.640 -0.001 0.000 0.239 449 D C 1.430 177.732 176.300 0.002 0.000 1.136 449 D CA 0.884 54.925 54.000 0.069 0.000 0.879 449 D CB 1.628 42.495 40.800 0.111 0.000 1.195 449 D HN 0.700 nan 8.370 nan 0.000 0.443 450 G N 3.248 112.056 108.800 0.014 0.000 2.462 450 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.220 450 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.220 450 G C 1.594 176.467 174.900 -0.045 0.000 1.121 450 G CA 0.469 45.563 45.100 -0.011 0.000 0.758 450 G HN 0.567 nan 8.290 nan 0.000 0.559 451 M N 0.749 120.334 119.600 -0.026 0.000 2.460 451 M HA 0.085 4.564 4.480 -0.001 0.000 0.263 451 M C 2.724 178.938 176.300 -0.143 0.000 1.071 451 M CA 0.934 56.241 55.300 0.011 0.000 1.096 451 M CB 0.061 32.768 32.600 0.177 0.000 1.408 451 M HN 0.289 nan 8.290 nan 0.000 0.463 452 A N 0.143 122.639 122.820 -0.541 0.000 2.167 452 A HA -0.002 4.317 4.320 -0.001 0.000 0.214 452 A C 1.166 178.539 177.584 -0.351 0.000 1.151 452 A CA 0.326 51.824 52.037 -0.899 0.000 0.735 452 A CB -0.333 17.969 19.000 -1.163 0.000 0.802 452 A HN 0.561 nan 8.150 nan 0.000 0.467 453 R N -1.607 118.767 120.500 -0.210 0.000 3.641 453 R HA -0.184 4.156 4.340 -0.001 0.000 0.286 453 R C 0.678 176.871 176.300 -0.179 0.000 1.153 453 R CA 0.760 56.779 56.100 -0.133 0.000 0.775 453 R CB -2.110 28.146 30.300 -0.072 0.000 1.215 453 R HN 0.478 nan 8.270 nan 0.000 0.474 454 I N 0.487 120.898 120.570 -0.265 0.000 2.163 454 I HA -0.181 3.988 4.170 -0.001 0.000 0.240 454 I C 2.112 178.105 176.117 -0.206 0.000 1.081 454 I CA 1.650 62.747 61.300 -0.338 0.000 1.353 454 I CB -0.652 36.991 38.000 -0.595 0.000 1.054 454 I HN 0.197 nan 8.210 nan 0.000 0.407 455 E N 0.720 120.836 120.200 -0.140 0.000 2.110 455 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 455 E C 2.081 178.636 176.600 -0.075 0.000 0.988 455 E CA 1.156 57.503 56.400 -0.088 0.000 0.804 455 E CB -0.223 29.448 29.700 -0.048 0.000 0.745 455 E HN 0.483 nan 8.360 nan 0.000 0.458 456 E N 0.424 120.581 120.200 -0.071 0.000 2.031 456 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 456 E C 1.905 178.468 176.600 -0.062 0.000 0.994 456 E CA 1.025 57.393 56.400 -0.054 0.000 0.800 456 E CB 0.099 29.772 29.700 -0.045 0.000 0.752 456 E HN -0.032 nan 8.360 nan 0.000 0.447 457 R N 0.323 120.775 120.500 -0.080 0.000 2.092 457 R HA -0.007 4.332 4.340 -0.001 0.000 0.231 457 R C 2.373 178.626 176.300 -0.079 0.000 1.119 457 R CA 0.893 56.949 56.100 -0.074 0.000 0.970 457 R CB -0.485 29.766 30.300 -0.081 0.000 0.864 457 R HN 0.288 nan 8.270 nan 0.000 0.440 458 L N -0.171 120.994 121.223 -0.097 0.000 2.093 458 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 458 L C 2.357 179.171 176.870 -0.093 0.000 1.085 458 L CA 1.414 56.198 54.840 -0.095 0.000 0.755 458 L CB -0.412 41.584 42.059 -0.106 0.000 0.904 458 L HN 0.290 nan 8.230 nan 0.000 0.435 459 E N 0.212 120.360 120.200 -0.086 0.000 2.077 459 E HA -0.306 4.044 4.350 -0.001 0.000 0.193 459 E C 2.206 178.737 176.600 -0.114 0.000 0.989 459 E CA 1.346 57.688 56.400 -0.098 0.000 0.800 459 E CB -0.007 29.656 29.700 -0.062 0.000 0.746 459 E HN 0.430 nan 8.360 nan 0.000 0.452 460 Q N 0.067 119.818 119.800 -0.081 0.000 2.061 460 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 460 Q C 2.107 178.059 176.000 -0.080 0.000 0.984 460 Q CA 1.728 57.489 55.803 -0.069 0.000 0.846 460 Q CB -0.263 28.449 28.738 -0.044 0.000 0.902 460 Q HN 0.351 nan 8.270 nan 0.000 0.421 461 A N 1.097 123.871 122.820 -0.076 0.000 1.902 461 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 461 A C 2.102 179.626 177.584 -0.099 0.000 1.181 461 A CA 1.502 53.495 52.037 -0.073 0.000 0.623 461 A CB -0.530 18.435 19.000 -0.059 0.000 0.818 461 A HN 0.393 nan 8.150 nan 0.000 0.443 462 R N -0.827 119.596 120.500 -0.129 0.000 2.081 462 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 462 R C 2.437 178.590 176.300 -0.245 0.000 1.131 462 R CA 1.598 57.598 56.100 -0.167 0.000 0.960 462 R CB -0.272 29.918 30.300 -0.183 0.000 0.856 462 R HN 0.490 nan 8.270 nan 0.000 0.436 463 R N 0.214 120.535 120.500 -0.299 0.000 2.090 463 R HA -0.056 4.284 4.340 -0.001 0.000 0.228 463 R C 2.058 178.286 176.300 -0.121 0.000 1.110 463 R CA 0.852 56.693 56.100 -0.432 0.000 0.973 463 R CB 0.053 30.119 30.300 -0.391 0.000 0.869 463 R HN 0.186 nan 8.270 nan 0.000 0.440 464 E N 0.809 120.978 120.200 -0.053 0.000 2.107 464 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 464 E C 1.967 178.597 176.600 0.049 0.000 0.982 464 E CA 0.719 57.135 56.400 0.026 0.000 0.809 464 E CB -0.214 29.490 29.700 0.007 0.000 0.756 464 E HN 0.144 nan 8.360 nan 0.000 0.459 465 L N 1.281 122.501 121.223 -0.005 0.000 2.056 465 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 465 L C 2.159 179.071 176.870 0.071 0.000 1.078 465 L CA 1.604 56.458 54.840 0.024 0.000 0.749 465 L CB -0.623 41.414 42.059 -0.036 0.000 0.901 465 L HN -0.097 nan 8.230 nan 0.000 0.433 466 S N -0.413 115.296 115.700 0.014 0.000 2.370 466 S HA -0.187 4.282 4.470 -0.001 0.000 0.226 466 S C 1.851 176.595 174.600 0.240 0.000 1.033 466 S CA 1.574 59.817 58.200 0.072 0.000 1.011 466 S CB -0.582 62.559 63.200 -0.098 0.000 0.852 466 S HN 0.457 nan 8.310 nan 0.000 0.457 467 L N 0.636 122.044 121.223 0.309 0.000 2.042 467 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 467 L C 1.892 178.865 176.870 0.173 0.000 1.076 467 L CA 1.624 56.640 54.840 0.293 0.000 0.749 467 L CB -0.603 41.604 42.059 0.246 0.000 0.893 467 L HN 0.286 nan 8.230 nan 0.000 0.432 468 F N -0.285 119.638 119.950 -0.045 0.000 2.451 468 F HA -0.145 4.381 4.527 -0.001 0.000 0.299 468 F C 2.208 177.928 175.800 -0.134 0.000 1.101 468 F CA 0.895 58.759 58.000 -0.228 0.000 1.436 468 F CB -0.223 38.676 39.000 -0.169 0.000 1.074 468 F HN 0.247 nan 8.300 nan 0.000 0.553 469 Q N -0.393 119.365 119.800 -0.069 0.000 2.437 469 Q HA -0.149 4.190 4.340 -0.001 0.000 0.210 469 Q C 0.554 176.489 176.000 -0.107 0.000 0.972 469 Q CA 0.489 56.231 55.803 -0.103 0.000 0.903 469 Q CB -1.334 27.417 28.738 0.021 0.000 0.967 469 Q HN 0.500 nan 8.270 nan 0.000 0.486 470 H N 1.967 120.919 119.070 -0.196 0.000 3.073 470 H HA -0.118 4.437 4.556 -0.001 0.000 0.340 470 H C 1.311 176.477 175.328 -0.270 0.000 1.054 470 H CA 0.759 56.685 56.048 -0.204 0.000 1.372 470 H CB 0.552 30.210 29.762 -0.172 0.000 1.314 470 H HN 0.247 nan 8.280 nan 0.000 0.603 471 H N 2.005 120.668 119.070 -0.678 0.000 2.563 471 H HA -0.006 4.550 4.556 -0.001 0.000 0.272 471 H C -0.326 174.574 175.328 -0.713 0.000 1.005 471 H CA 0.712 56.326 56.048 -0.724 0.000 1.171 471 H CB 0.294 29.623 29.762 -0.722 0.000 1.351 471 H HN 0.603 nan 8.280 nan 0.000 0.602 472 D N 0.348 120.026 120.400 -1.203 0.000 2.469 472 D HA 0.129 4.768 4.640 -0.001 0.000 0.215 472 D C 1.609 177.866 176.300 -0.072 0.000 1.154 472 D CA 0.310 54.141 54.000 -0.282 0.000 0.832 472 D CB 0.850 41.724 40.800 0.123 0.000 1.008 472 D HN 0.527 nan 8.370 nan 0.000 0.506 473 G N 1.252 109.798 108.800 -0.422 0.000 2.600 473 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.225 473 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.225 473 G C 1.346 175.662 174.900 -0.974 0.000 1.623 473 G CA -0.210 44.394 45.100 -0.827 0.000 0.903 473 G HN 0.195 nan 8.290 nan 0.000 0.574 474 I N 2.007 121.707 120.570 -1.450 0.000 2.423 474 I HA -0.187 3.983 4.170 -0.001 0.000 0.254 474 I C 2.877 178.897 176.117 -0.162 0.000 1.151 474 I CA 2.063 62.838 61.300 -0.875 0.000 1.421 474 I CB -0.037 37.617 38.000 -0.576 0.000 1.079 474 I HN 0.381 nan 8.210 nan 0.000 0.431 475 T N -1.704 112.806 114.554 -0.074 0.000 3.007 475 T HA 0.026 4.375 4.350 -0.001 0.000 0.270 475 T C 1.539 176.383 174.700 0.240 0.000 1.107 475 T CA 0.623 62.870 62.100 0.246 0.000 1.118 475 T CB -0.516 68.501 68.868 0.248 0.000 0.889 475 T HN 0.637 nan 8.240 nan 0.000 0.506 476 G N 1.485 110.381 108.800 0.161 0.000 2.176 476 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.252 476 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.252 476 G C 0.543 175.511 174.900 0.113 0.000 1.024 476 G CA 0.644 45.858 45.100 0.190 0.000 0.755 476 G HN 1.156 nan 8.290 nan 0.000 0.507 477 T N -3.432 111.179 114.554 0.096 0.000 3.215 477 T HA 0.741 5.090 4.350 -0.001 0.000 0.271 477 T C 0.811 175.699 174.700 0.313 0.000 1.012 477 T CA 1.001 63.085 62.100 -0.026 0.000 0.899 477 T CB 0.992 69.653 68.868 -0.345 0.000 1.089 477 T HN 1.568 nan 8.240 nan 0.000 0.552 478 A N 1.246 124.270 122.820 0.341 0.000 2.281 478 A HA 0.706 5.025 4.320 -0.001 0.000 0.329 478 A C 0.164 177.854 177.584 0.177 0.000 1.122 478 A CA -0.973 51.302 52.037 0.396 0.000 0.850 478 A CB 0.935 20.203 19.000 0.447 0.000 1.207 478 A HN 0.397 nan 8.150 nan 0.000 0.495 479 K N -0.167 120.268 120.400 0.059 0.000 2.336 479 K HA 0.140 4.460 4.320 -0.001 0.000 0.262 479 K C 1.092 177.704 176.600 0.020 0.000 0.992 479 K CA 0.402 56.701 56.287 0.020 0.000 0.927 479 K CB 0.319 32.821 32.500 0.003 0.000 0.956 479 K HN 0.739 nan 8.250 nan 0.000 0.495 480 T N 1.328 115.923 114.554 0.069 0.000 2.665 480 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 480 T C 1.675 176.411 174.700 0.060 0.000 1.035 480 T CA 1.880 64.022 62.100 0.071 0.000 1.151 480 T CB -0.432 68.487 68.868 0.084 0.000 0.862 480 T HN 0.695 nan 8.240 nan 0.000 0.438 481 H N 0.575 119.640 119.070 -0.009 0.000 2.491 481 H HA 0.103 4.659 4.556 -0.001 0.000 0.290 481 H C 2.035 177.337 175.328 -0.044 0.000 1.050 481 H CA 0.839 56.874 56.048 -0.022 0.000 1.309 481 H CB -0.804 28.941 29.762 -0.029 0.000 1.392 481 H HN 0.277 nan 8.280 nan 0.000 0.554 482 V N 1.164 120.739 119.914 -0.564 0.000 2.407 482 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 482 V C 3.027 178.940 176.094 -0.302 0.000 1.041 482 V CA 1.106 63.103 62.300 -0.506 0.000 1.040 482 V CB -0.458 31.114 31.823 -0.418 0.000 0.671 482 V HN 0.235 nan 8.190 nan 0.000 0.455 483 V N 0.020 119.888 119.914 -0.076 0.000 2.332 483 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 483 V C 2.458 178.527 176.094 -0.041 0.000 1.055 483 V CA 1.986 64.296 62.300 0.017 0.000 1.038 483 V CB -0.531 31.266 31.823 -0.043 0.000 0.651 483 V HN 0.415 nan 8.190 nan 0.000 0.450 484 V N 0.374 120.273 119.914 -0.026 0.000 2.343 484 V HA -0.299 3.821 4.120 -0.001 0.000 0.247 484 V C 2.304 178.410 176.094 0.019 0.000 1.051 484 V CA 2.427 64.743 62.300 0.027 0.000 1.036 484 V CB -0.680 31.170 31.823 0.046 0.000 0.654 484 V HN 0.654 nan 8.190 nan 0.000 0.451 485 D N -0.952 119.415 120.400 -0.055 0.000 2.097 485 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 485 D C 2.003 178.309 176.300 0.010 0.000 0.989 485 D CA 1.664 55.630 54.000 -0.057 0.000 0.827 485 D CB -0.257 40.450 40.800 -0.155 0.000 0.966 485 D HN 0.594 nan 8.370 nan 0.000 0.456 486 Y N 0.447 120.783 120.300 0.060 0.000 2.165 486 Y HA -0.148 4.401 4.550 -0.001 0.000 0.286 486 Y C 2.574 178.446 175.900 -0.048 0.000 1.155 486 Y CA 1.177 59.308 58.100 0.052 0.000 1.164 486 Y CB -0.172 38.390 38.460 0.170 0.000 0.978 486 Y HN 0.091 nan 8.280 nan 0.000 0.513 487 E N 0.514 120.809 120.200 0.158 0.000 2.077 487 E HA -0.267 4.083 4.350 -0.001 0.000 0.193 487 E C 2.006 178.678 176.600 0.121 0.000 0.989 487 E CA 1.415 57.922 56.400 0.179 0.000 0.800 487 E CB -0.057 29.830 29.700 0.311 0.000 0.746 487 E HN 0.566 nan 8.360 nan 0.000 0.452 488 Q N -0.078 119.781 119.800 0.099 0.000 2.084 488 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 488 Q C 2.332 178.367 176.000 0.058 0.000 0.978 488 Q CA 1.358 57.205 55.803 0.073 0.000 0.844 488 Q CB -0.071 28.702 28.738 0.059 0.000 0.898 488 Q HN 0.194 nan 8.270 nan 0.000 0.426 489 R N 0.104 120.643 120.500 0.064 0.000 2.073 489 R HA -0.085 4.255 4.340 -0.001 0.000 0.234 489 R C 2.276 178.587 176.300 0.019 0.000 1.134 489 R CA 1.520 57.651 56.100 0.052 0.000 0.952 489 R CB -0.185 30.171 30.300 0.093 0.000 0.850 489 R HN 0.295 nan 8.270 nan 0.000 0.433 490 M N -0.059 119.538 119.600 -0.005 0.000 2.229 490 M HA -0.178 4.301 4.480 -0.001 0.000 0.264 490 M C 2.338 178.609 176.300 -0.050 0.000 1.063 490 M CA 1.438 56.694 55.300 -0.073 0.000 1.114 490 M CB -0.136 32.356 32.600 -0.180 0.000 1.387 490 M HN 0.091 nan 8.290 nan 0.000 0.420 491 Q N 0.778 120.585 119.800 0.012 0.000 2.079 491 Q HA -0.170 4.169 4.340 -0.001 0.000 0.200 491 Q C 1.798 177.809 176.000 0.020 0.000 0.974 491 Q CA 1.479 57.304 55.803 0.038 0.000 0.840 491 Q CB 0.066 28.849 28.738 0.075 0.000 0.898 491 Q HN 0.296 nan 8.270 nan 0.000 0.430 492 E N -0.055 120.155 120.200 0.017 0.000 2.077 492 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 492 E C 1.851 178.450 176.600 -0.001 0.000 0.989 492 E CA 1.195 57.602 56.400 0.012 0.000 0.800 492 E CB -0.475 29.232 29.700 0.013 0.000 0.746 492 E HN 0.483 nan 8.360 nan 0.000 0.452 493 A N 1.087 123.896 122.820 -0.018 0.000 1.902 493 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 493 A C 2.410 179.979 177.584 -0.026 0.000 1.181 493 A CA 1.064 53.082 52.037 -0.032 0.000 0.623 493 A CB -0.716 18.251 19.000 -0.055 0.000 0.818 493 A HN 0.192 nan 8.150 nan 0.000 0.443 494 L N -0.670 120.522 121.223 -0.051 0.000 2.042 494 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 494 L C 2.602 179.518 176.870 0.077 0.000 1.076 494 L CA 1.826 56.642 54.840 -0.041 0.000 0.749 494 L CB -0.417 41.553 42.059 -0.149 0.000 0.893 494 L HN 0.372 nan 8.230 nan 0.000 0.432 495 K N -0.171 120.259 120.400 0.049 0.000 2.097 495 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 495 K C 2.232 178.860 176.600 0.047 0.000 1.049 495 K CA 1.289 57.610 56.287 0.058 0.000 0.933 495 K CB -0.254 32.268 32.500 0.036 0.000 0.717 495 K HN 0.291 nan 8.250 nan 0.000 0.442 496 A N 1.107 123.942 122.820 0.025 0.000 1.902 496 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 496 A C 2.419 180.011 177.584 0.013 0.000 1.181 496 A CA 1.484 53.524 52.037 0.005 0.000 0.623 496 A CB -0.984 18.006 19.000 -0.016 0.000 0.818 496 A HN 0.407 nan 8.150 nan 0.000 0.443 497 C N -1.018 118.310 119.300 0.047 0.000 2.429 497 C HA -0.120 4.340 4.460 -0.001 0.000 0.277 497 C C 2.858 177.894 174.990 0.078 0.000 1.262 497 C CA 1.249 60.306 59.018 0.065 0.000 1.733 497 C CB -1.283 26.549 27.740 0.153 0.000 2.010 497 C HN 0.788 nan 8.230 nan 0.000 0.483 498 Q N 0.248 120.124 119.800 0.127 0.000 2.061 498 Q HA -0.281 4.059 4.340 -0.001 0.000 0.204 498 Q C 2.180 178.245 176.000 0.108 0.000 0.984 498 Q CA 2.033 57.906 55.803 0.117 0.000 0.846 498 Q CB -0.272 28.546 28.738 0.133 0.000 0.902 498 Q HN 0.577 nan 8.270 nan 0.000 0.421 499 M N -0.128 119.513 119.600 0.068 0.000 2.080 499 M HA -0.142 4.338 4.480 -0.001 0.000 0.260 499 M C 1.863 178.181 176.300 0.030 0.000 1.068 499 M CA 1.564 56.896 55.300 0.052 0.000 1.109 499 M CB -0.486 32.125 32.600 0.018 0.000 1.342 499 M HN 0.139 nan 8.290 nan 0.000 0.405 500 V N 0.190 120.086 119.914 -0.031 0.000 2.295 500 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 500 V C 2.420 178.475 176.094 -0.064 0.000 1.049 500 V CA 2.203 64.428 62.300 -0.125 0.000 1.024 500 V CB -0.707 31.018 31.823 -0.163 0.000 0.648 500 V HN 0.553 nan 8.190 nan 0.000 0.447 501 M N 0.313 119.926 119.600 0.022 0.000 2.080 501 M HA -0.277 4.202 4.480 -0.001 0.000 0.260 501 M C 2.387 178.737 176.300 0.083 0.000 1.068 501 M CA 2.522 57.870 55.300 0.080 0.000 1.109 501 M CB -0.526 32.208 32.600 0.223 0.000 1.342 501 M HN 0.546 nan 8.290 nan 0.000 0.405 502 Q N -0.211 119.723 119.800 0.224 0.000 2.123 502 Q HA -0.129 4.211 4.340 -0.001 0.000 0.199 502 Q C 1.818 178.005 176.000 0.311 0.000 0.966 502 Q CA 1.163 57.125 55.803 0.266 0.000 0.845 502 Q CB -0.635 28.369 28.738 0.443 0.000 0.907 502 Q HN 0.421 nan 8.270 nan 0.000 0.439 503 Q N 0.585 120.554 119.800 0.281 0.000 2.124 503 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 503 Q C 2.270 178.516 176.000 0.410 0.000 0.977 503 Q CA 1.743 57.786 55.803 0.401 0.000 0.850 503 Q CB -0.228 28.655 28.738 0.243 0.000 0.901 503 Q HN 0.517 nan 8.270 nan 0.000 0.429 504 S N 0.349 116.178 115.700 0.215 0.000 2.368 504 S HA -0.086 4.384 4.470 -0.001 0.000 0.224 504 S C 2.221 176.858 174.600 0.061 0.000 1.029 504 S CA 1.030 59.397 58.200 0.278 0.000 0.988 504 S CB -0.215 63.080 63.200 0.159 0.000 0.838 504 S HN 0.131 nan 8.310 nan 0.000 0.462 505 V N 0.995 120.818 119.914 -0.153 0.000 2.295 505 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 505 V C 2.036 178.109 176.094 -0.035 0.000 1.049 505 V CA 1.931 64.018 62.300 -0.354 0.000 1.024 505 V CB -0.804 30.389 31.823 -1.050 0.000 0.648 505 V HN 0.567 nan 8.190 nan 0.000 0.447 506 Y N 1.411 121.768 120.300 0.095 0.000 2.165 506 Y HA -0.258 4.292 4.550 -0.001 0.000 0.286 506 Y C 2.727 178.690 175.900 0.104 0.000 1.155 506 Y CA 2.212 60.450 58.100 0.229 0.000 1.164 506 Y CB -0.435 38.080 38.460 0.093 0.000 0.978 506 Y HN 0.099 nan 8.280 nan 0.000 0.513 507 R N -0.078 120.303 120.500 -0.198 0.000 2.092 507 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 507 R C 2.166 178.139 176.300 -0.545 0.000 1.119 507 R CA 1.642 57.270 56.100 -0.787 0.000 0.970 507 R CB -0.382 29.449 30.300 -0.781 0.000 0.864 507 R HN 0.470 nan 8.270 nan 0.000 0.440 508 L N 0.199 121.251 121.223 -0.285 0.000 2.291 508 L HA -0.051 4.289 4.340 -0.001 0.000 0.214 508 L C 1.382 178.130 176.870 -0.203 0.000 1.120 508 L CA 0.728 55.371 54.840 -0.328 0.000 0.799 508 L CB 0.152 41.858 42.059 -0.587 0.000 0.925 508 L HN 0.235 nan 8.230 nan 0.000 0.446 509 L N -1.363 119.839 121.223 -0.035 0.000 3.014 509 L HA 0.224 4.564 4.340 -0.001 0.000 0.263 509 L C -0.181 176.773 176.870 0.141 0.000 1.207 509 L CA -0.098 54.816 54.840 0.123 0.000 1.017 509 L CB 0.532 42.809 42.059 0.364 0.000 1.360 509 L HN -0.007 nan 8.230 nan 0.000 0.560 510 T N -0.017 114.541 114.554 0.005 0.000 2.829 510 T HA 0.200 4.550 4.350 -0.001 0.000 0.280 510 T C -0.177 174.461 174.700 -0.104 0.000 0.999 510 T CA -0.579 61.519 62.100 -0.003 0.000 0.983 510 T CB 2.486 71.341 68.868 -0.022 0.000 0.968 510 T HN 0.003 nan 8.240 nan 0.000 0.446 511 K N 3.508 123.862 120.400 -0.077 0.000 2.491 511 K HA 0.005 4.324 4.320 -0.001 0.000 0.279 511 K C -1.716 174.855 176.600 -0.048 0.000 1.026 511 K CA -1.109 55.137 56.287 -0.067 0.000 1.070 511 K CB 0.436 32.903 32.500 -0.055 0.000 0.887 511 K HN 0.169 nan 8.250 nan 0.000 0.481 512 P HA -0.202 nan 4.420 nan 0.000 0.216 512 P C 0.744 178.057 177.300 0.021 0.000 1.150 512 P CA 1.479 64.553 63.100 -0.044 0.000 0.843 512 P CB 0.155 31.822 31.700 -0.055 0.000 0.787 513 S N -2.274 113.430 115.700 0.008 0.000 2.607 513 S HA 0.054 4.524 4.470 -0.001 0.000 0.224 513 S C 1.655 176.270 174.600 0.024 0.000 0.969 513 S CA 0.496 58.705 58.200 0.015 0.000 0.927 513 S CB -1.087 62.114 63.200 0.001 0.000 0.772 513 S HN 0.107 nan 8.310 nan 0.000 0.533 514 I N -0.853 119.741 120.570 0.039 0.000 3.616 514 I HA 0.210 4.380 4.170 -0.001 0.000 0.296 514 I C 0.567 176.740 176.117 0.092 0.000 1.226 514 I CA -0.408 60.925 61.300 0.055 0.000 1.394 514 I CB -0.056 37.975 38.000 0.052 0.000 1.171 514 I HN 0.251 nan 8.210 nan 0.000 0.442 515 Y N 2.862 123.116 120.300 -0.076 0.000 2.865 515 Y HA -0.062 4.488 4.550 -0.001 0.000 0.338 515 Y C 0.423 176.296 175.900 -0.045 0.000 1.269 515 Y CA 0.103 58.111 58.100 -0.154 0.000 1.585 515 Y CB 0.369 38.661 38.460 -0.280 0.000 1.224 515 Y HN -0.117 nan 8.280 nan 0.000 0.554 516 S N 8.868 124.372 115.700 -0.326 0.000 2.293 516 S HA 0.344 4.814 4.470 -0.001 0.000 0.154 516 S C -2.858 171.557 174.600 -0.309 0.000 1.602 516 S CA -1.234 56.784 58.200 -0.305 0.000 1.260 516 S CB 0.004 63.144 63.200 -0.100 0.000 1.270 516 S HN 0.645 nan 8.310 nan 0.000 0.416 517 P HA 0.303 nan 4.420 nan 0.000 0.276 517 P C -1.130 175.912 177.300 -0.429 0.000 1.230 517 P CA -0.140 62.725 63.100 -0.391 0.000 0.776 517 P CB 0.836 32.219 31.700 -0.528 0.000 0.888 518 D N 2.485 122.824 120.400 -0.100 0.000 2.414 518 D HA 0.157 4.796 4.640 -0.001 0.000 0.232 518 D C 0.233 176.566 176.300 0.054 0.000 1.070 518 D CA -0.719 53.204 54.000 -0.128 0.000 0.839 518 D CB 0.244 40.998 40.800 -0.077 0.000 1.079 518 D HN 0.042 nan 8.370 nan 0.000 0.521 519 F N 1.683 121.750 119.950 0.194 0.000 2.641 519 F HA -0.043 4.484 4.527 -0.001 0.000 0.298 519 F C 2.401 178.278 175.800 0.128 0.000 1.146 519 F CA 0.556 58.670 58.000 0.190 0.000 1.464 519 F CB -0.398 38.694 39.000 0.153 0.000 1.101 519 F HN 0.378 nan 8.300 nan 0.000 0.585 520 S N -1.828 114.015 115.700 0.238 0.000 2.524 520 S HA 0.118 4.588 4.470 -0.001 0.000 0.215 520 S C 0.326 174.969 174.600 0.071 0.000 0.986 520 S CA -0.410 57.871 58.200 0.135 0.000 0.911 520 S CB -0.637 62.621 63.200 0.097 0.000 0.805 520 S HN 0.088 nan 8.310 nan 0.000 0.501 521 F N 2.938 122.825 119.950 -0.105 0.000 2.375 521 F HA 0.596 5.123 4.527 -0.001 0.000 0.333 521 F C 0.443 176.025 175.800 -0.363 0.000 1.104 521 F CA -0.800 57.006 58.000 -0.324 0.000 1.149 521 F CB 1.703 40.349 39.000 -0.591 0.000 1.190 521 F HN 0.069 nan 8.300 nan 0.000 0.533 522 S N 5.122 120.074 115.700 -1.247 0.000 2.592 522 S HA 0.199 4.668 4.470 -0.001 0.000 0.305 522 S C 0.495 174.492 174.600 -1.005 0.000 1.118 522 S CA -0.388 57.326 58.200 -0.811 0.000 1.075 522 S CB -0.475 62.341 63.200 -0.639 0.000 1.107 522 S HN 0.668 nan 8.310 nan 0.000 0.503 523 Y N 3.683 123.765 120.300 -0.364 0.000 2.314 523 Y HA 0.211 4.760 4.550 -0.001 0.000 0.293 523 Y C 0.281 175.646 175.900 -0.892 0.000 1.129 523 Y CA 0.672 58.438 58.100 -0.556 0.000 1.201 523 Y CB 0.205 38.403 38.460 -0.437 0.000 0.999 523 Y HN 0.582 nan 8.280 nan 0.000 0.541 524 F N -1.903 118.018 119.950 -0.048 0.000 2.599 524 F HA 0.434 4.961 4.527 -0.001 0.000 0.311 524 F C -0.221 175.612 175.800 0.056 0.000 1.076 524 F CA -1.356 56.673 58.000 0.049 0.000 0.937 524 F CB 1.633 40.804 39.000 0.284 0.000 1.282 524 F HN -0.518 nan 8.300 nan 0.000 0.460 525 T N 3.145 117.860 114.554 0.268 0.000 2.794 525 T HA 0.535 4.885 4.350 -0.001 0.000 0.280 525 T C -0.202 174.602 174.700 0.174 0.000 0.987 525 T CA -0.579 61.614 62.100 0.155 0.000 0.993 525 T CB 0.932 69.849 68.868 0.081 0.000 0.939 525 T HN 0.316 nan 8.240 nan 0.000 0.449 526 L N 2.654 123.909 121.223 0.054 0.000 2.417 526 L HA 0.365 4.705 4.340 -0.001 0.000 0.268 526 L C 0.226 177.075 176.870 -0.036 0.000 1.158 526 L CA -0.248 54.516 54.840 -0.128 0.000 0.819 526 L CB 0.637 42.581 42.059 -0.193 0.000 1.112 526 L HN 0.668 nan 8.230 nan 0.000 0.458 527 D N 1.393 121.748 120.400 -0.075 0.000 2.481 527 D HA 0.205 4.844 4.640 -0.001 0.000 0.246 527 D C -1.260 174.960 176.300 -0.134 0.000 1.109 527 D CA -0.399 53.562 54.000 -0.065 0.000 0.845 527 D CB 1.105 41.895 40.800 -0.017 0.000 1.160 527 D HN 0.277 nan 8.370 nan 0.000 0.534 528 D N 2.435 122.786 120.400 -0.081 0.000 2.481 528 D HA 0.203 4.843 4.640 -0.001 0.000 0.246 528 D C 0.043 176.291 176.300 -0.088 0.000 1.109 528 D CA -0.469 53.508 54.000 -0.038 0.000 0.845 528 D CB 1.904 42.794 40.800 0.149 0.000 1.160 528 D HN 0.231 nan 8.370 nan 0.000 0.534 529 S N 2.642 118.260 115.700 -0.138 0.000 2.522 529 S HA 0.046 4.515 4.470 -0.001 0.000 0.227 529 S C 1.340 175.900 174.600 -0.067 0.000 0.986 529 S CA 0.442 58.552 58.200 -0.151 0.000 0.929 529 S CB 0.346 63.442 63.200 -0.172 0.000 0.769 529 S HN 0.483 nan 8.310 nan 0.000 0.529 530 R N -0.497 119.999 120.500 -0.007 0.000 2.535 530 R HA 0.220 4.559 4.340 -0.001 0.000 0.323 530 R C -0.658 175.717 176.300 0.126 0.000 0.979 530 R CA -0.106 56.016 56.100 0.036 0.000 1.120 530 R CB 0.781 31.101 30.300 0.033 0.000 1.306 530 R HN 0.333 nan 8.270 nan 0.000 0.540 531 W N 1.295 122.554 121.300 -0.069 0.000 3.211 531 W HA 0.289 4.948 4.660 -0.001 0.000 0.335 531 W C -2.935 173.547 176.519 -0.061 0.000 1.113 531 W CA -1.955 55.336 57.345 -0.091 0.000 1.235 531 W CB 1.822 31.208 29.460 -0.123 0.000 1.365 531 W HN -0.190 nan 8.180 nan 0.000 0.476 532 P HA 0.093 nan 4.420 nan 0.000 0.226 532 P C 0.359 177.270 177.300 -0.649 0.000 1.153 532 P CA 1.768 63.965 63.100 -1.506 0.000 0.777 532 P CB 0.300 31.382 31.700 -1.030 0.000 0.794 533 G N -1.101 107.505 108.800 -0.324 0.000 2.587 533 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.686 533 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.686 533 G C -0.461 174.386 174.900 -0.088 0.000 1.236 533 G CA -0.522 44.489 45.100 -0.148 0.000 0.820 533 G HN 0.073 nan 8.290 nan 0.000 0.645 534 S N 0.215 115.907 115.700 -0.013 0.000 2.525 534 S HA 0.512 4.982 4.470 -0.001 0.000 0.285 534 S C 1.825 176.447 174.600 0.036 0.000 1.283 534 S CA 2.046 60.277 58.200 0.052 0.000 1.072 534 S CB 0.158 63.427 63.200 0.114 0.000 0.867 534 S HN 2.694 nan 8.310 nan 0.000 0.492 535 G N 2.860 111.685 108.800 0.041 0.000 2.195 535 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.246 535 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.246 535 G C 0.589 175.482 174.900 -0.012 0.000 0.984 535 G CA 0.318 45.439 45.100 0.036 0.000 0.633 535 G HN 0.845 nan 8.290 nan 0.000 0.525 536 V N -0.375 119.507 119.914 -0.053 0.000 2.743 536 V HA 0.451 4.571 4.120 -0.001 0.000 0.237 536 V C 0.814 176.847 176.094 -0.103 0.000 1.113 536 V CA 1.706 63.952 62.300 -0.091 0.000 1.141 536 V CB 0.954 32.684 31.823 -0.155 0.000 0.873 536 V HN 0.459 nan 8.190 nan 0.000 0.486 537 E N 0.154 120.284 120.200 -0.117 0.000 2.321 537 E HA 0.237 4.586 4.350 -0.001 0.000 0.278 537 E C -1.851 174.715 176.600 -0.056 0.000 0.902 537 E CA -0.556 55.787 56.400 -0.096 0.000 0.758 537 E CB 2.012 31.626 29.700 -0.143 0.000 1.213 537 E HN 0.191 nan 8.360 nan 0.000 0.426 538 D N 2.255 122.641 120.400 -0.024 0.000 2.468 538 D HA 0.126 4.766 4.640 -0.001 0.000 0.218 538 D C 0.314 176.620 176.300 0.009 0.000 1.155 538 D CA 0.084 54.093 54.000 0.014 0.000 0.924 538 D CB 0.687 41.497 40.800 0.017 0.000 1.029 538 D HN 0.365 nan 8.370 nan 0.000 0.515 539 S N 2.763 118.464 115.700 0.003 0.000 2.524 539 S HA 0.205 4.675 4.470 -0.001 0.000 0.222 539 S C 0.892 175.502 174.600 0.017 0.000 1.040 539 S CA -0.438 57.760 58.200 -0.003 0.000 0.915 539 S CB 0.379 63.556 63.200 -0.038 0.000 0.831 539 S HN 0.239 nan 8.310 nan 0.000 0.492 540 R N 2.911 123.427 120.500 0.026 0.000 2.490 540 R HA 0.387 4.726 4.340 -0.001 0.000 0.280 540 R C 0.100 176.456 176.300 0.094 0.000 1.077 540 R CA 0.315 56.421 56.100 0.010 0.000 1.065 540 R CB 0.566 30.773 30.300 -0.155 0.000 1.003 540 R HN 0.475 nan 8.270 nan 0.000 0.470 541 T N -0.749 113.857 114.554 0.086 0.000 2.889 541 T HA 0.184 4.534 4.350 -0.001 0.000 0.291 541 T C 0.277 175.092 174.700 0.191 0.000 0.995 541 T CA -0.761 61.410 62.100 0.119 0.000 1.092 541 T CB 1.398 70.322 68.868 0.093 0.000 0.954 541 T HN 0.350 nan 8.240 nan 0.000 0.506 542 T N 3.752 118.422 114.554 0.193 0.000 2.856 542 T HA 0.368 4.718 4.350 -0.001 0.000 0.292 542 T C 0.500 175.308 174.700 0.179 0.000 0.980 542 T CA -0.497 61.737 62.100 0.223 0.000 1.091 542 T CB 0.171 69.125 68.868 0.144 0.000 0.936 542 T HN 0.573 nan 8.240 nan 0.000 0.503 543 I N 4.086 124.782 120.570 0.209 0.000 2.421 543 I HA 0.200 4.369 4.170 -0.001 0.000 0.291 543 I C 0.174 176.378 176.117 0.144 0.000 1.089 543 I CA -0.070 61.331 61.300 0.169 0.000 1.354 543 I CB 0.227 38.332 38.000 0.174 0.000 1.413 543 I HN 0.455 nan 8.210 nan 0.000 0.513 544 I N 8.109 128.749 120.570 0.117 0.000 2.297 544 I HA 0.306 4.475 4.170 -0.001 0.000 0.291 544 I C -0.156 176.021 176.117 0.100 0.000 1.033 544 I CA -0.144 61.216 61.300 0.100 0.000 1.253 544 I CB 0.401 38.447 38.000 0.077 0.000 1.396 544 I HN 0.386 nan 8.210 nan 0.000 0.476 545 L N 5.753 127.040 121.223 0.106 0.000 2.323 545 L HA 0.965 5.305 4.340 -0.001 0.000 0.265 545 L C 0.150 177.077 176.870 0.095 0.000 1.012 545 L CA -0.709 54.193 54.840 0.103 0.000 0.820 545 L CB 2.200 44.327 42.059 0.113 0.000 1.334 545 L HN 0.694 nan 8.230 nan 0.000 0.427 546 G N 0.187 109.039 108.800 0.087 0.000 2.429 546 G HA2 0.189 4.148 3.960 -0.001 0.000 0.300 546 G HA3 0.189 4.148 3.960 -0.001 0.000 0.300 546 G C -0.337 174.605 174.900 0.069 0.000 1.598 546 G CA -0.551 44.597 45.100 0.080 0.000 0.863 546 G HN 0.676 nan 8.290 nan 0.000 0.614 547 E N 0.153 120.392 120.200 0.064 0.000 2.160 547 E HA -0.095 4.254 4.350 -0.001 0.000 0.195 547 E C 0.739 177.366 176.600 0.046 0.000 0.991 547 E CA 1.215 57.647 56.400 0.053 0.000 0.810 547 E CB 0.275 30.002 29.700 0.045 0.000 0.742 547 E HN 0.461 nan 8.360 nan 0.000 0.466 548 D N -0.335 120.092 120.400 0.045 0.000 2.342 548 D HA 0.142 4.782 4.640 -0.001 0.000 0.221 548 D C 1.200 177.525 176.300 0.041 0.000 1.101 548 D CA 0.273 54.296 54.000 0.038 0.000 0.837 548 D CB 0.775 41.596 40.800 0.034 0.000 0.938 548 D HN 0.231 nan 8.370 nan 0.000 0.508 549 I N -0.918 119.681 120.570 0.048 0.000 4.420 549 I HA 0.103 4.273 4.170 -0.001 0.000 0.292 549 I C -1.403 174.749 176.117 0.059 0.000 1.153 549 I CA 0.058 61.388 61.300 0.050 0.000 1.315 549 I CB 1.252 39.282 38.000 0.050 0.000 1.616 549 I HN -0.177 nan 8.210 nan 0.000 0.450 550 L N 2.124 123.388 121.223 0.069 0.000 2.795 550 L HA 0.458 4.798 4.340 -0.001 0.000 0.260 550 L C -2.536 174.387 176.870 0.087 0.000 0.935 550 L CA -0.829 54.060 54.840 0.082 0.000 0.985 550 L CB 1.716 43.830 42.059 0.092 0.000 1.433 550 L HN -0.169 nan 8.230 nan 0.000 0.447 551 P HA 0.072 nan 4.420 nan 0.000 0.224 551 P C -0.145 177.211 177.300 0.094 0.000 1.157 551 P CA 0.778 63.928 63.100 0.083 0.000 0.799 551 P CB 0.483 32.225 31.700 0.070 0.000 0.809 552 S N -1.957 113.810 115.700 0.113 0.000 2.625 552 S HA 0.722 5.191 4.470 -0.001 0.000 0.271 552 S C -1.283 173.424 174.600 0.178 0.000 1.161 552 S CA -0.704 57.571 58.200 0.125 0.000 0.820 552 S CB 2.523 65.789 63.200 0.110 0.000 1.137 552 S HN -0.114 nan 8.310 nan 0.000 0.470 553 K N 0.526 121.039 120.400 0.189 0.000 2.535 553 K HA 0.563 4.883 4.320 -0.001 0.000 0.251 553 K C -2.050 174.727 176.600 0.295 0.000 0.942 553 K CA -0.230 56.216 56.287 0.264 0.000 0.798 553 K CB 0.963 33.575 32.500 0.187 0.000 1.267 553 K HN 0.846 nan 8.250 nan 0.000 0.434 554 H N 0.864 120.084 119.070 0.250 0.000 2.610 554 H HA 0.472 5.027 4.556 -0.001 0.000 0.336 554 H C -0.239 175.321 175.328 0.386 0.000 1.087 554 H CA -0.106 56.135 56.048 0.322 0.000 1.405 554 H CB 1.065 31.103 29.762 0.459 0.000 1.460 554 H HN 0.397 nan 8.280 nan 0.000 0.538 555 V N 0.979 121.150 119.914 0.428 0.000 2.914 555 V HA 0.782 4.902 4.120 -0.001 0.000 0.314 555 V C -0.766 175.654 176.094 0.543 0.000 1.084 555 V CA -0.867 61.675 62.300 0.403 0.000 0.963 555 V CB 2.090 33.886 31.823 -0.046 0.000 1.025 555 V HN 0.463 nan 8.190 nan 0.000 0.432 556 V N 3.908 124.160 119.914 0.564 0.000 2.638 556 V HA 0.636 4.755 4.120 -0.001 0.000 0.306 556 V C -0.471 175.957 176.094 0.557 0.000 1.052 556 V CA -0.370 62.224 62.300 0.488 0.000 0.885 556 V CB 1.853 33.810 31.823 0.223 0.000 0.999 556 V HN 0.946 nan 8.190 nan 0.000 0.424 557 M N 4.033 123.933 119.600 0.501 0.000 2.404 557 M HA 0.497 4.977 4.480 -0.001 0.000 0.338 557 M C -0.503 176.048 176.300 0.419 0.000 1.150 557 M CA -0.257 55.311 55.300 0.446 0.000 1.016 557 M CB 1.222 34.033 32.600 0.351 0.000 1.672 557 M HN 0.759 nan 8.290 nan 0.000 0.448 558 H N 1.884 121.151 119.070 0.327 0.000 2.492 558 H HA 0.489 5.045 4.556 -0.001 0.000 0.345 558 H C -1.351 174.089 175.328 0.187 0.000 1.136 558 H CA -0.601 55.604 56.048 0.261 0.000 1.202 558 H CB 1.215 31.188 29.762 0.353 0.000 1.524 558 H HN 0.654 nan 8.280 nan 0.000 0.506 559 N N 3.066 121.528 118.700 -0.397 0.000 2.569 559 N HA 0.039 4.779 4.740 -0.001 0.000 0.254 559 N C 0.325 175.500 175.510 -0.558 0.000 1.004 559 N CA -0.303 52.527 53.050 -0.367 0.000 0.904 559 N CB 1.587 39.966 38.487 -0.180 0.000 1.165 559 N HN 0.635 nan 8.380 nan 0.000 0.513 560 T N 2.868 117.142 114.554 -0.468 0.000 3.035 560 T HA 0.155 4.504 4.350 -0.001 0.000 0.268 560 T C 0.710 175.377 174.700 -0.056 0.000 1.109 560 T CA 0.519 62.514 62.100 -0.175 0.000 1.119 560 T CB -0.238 68.676 68.868 0.076 0.000 0.900 560 T HN 0.421 nan 8.240 nan 0.000 0.503 561 L N 2.782 123.922 121.223 -0.138 0.000 2.417 561 L HA 0.295 4.635 4.340 -0.001 0.000 0.268 561 L C -1.568 175.167 176.870 -0.225 0.000 1.158 561 L CA -1.837 52.888 54.840 -0.191 0.000 0.819 561 L CB 0.560 42.376 42.059 -0.405 0.000 1.112 561 L HN -0.027 nan 8.230 nan 0.000 0.458 562 P HA 0.043 nan 4.420 nan 0.000 0.243 562 P C -0.953 176.369 177.300 0.037 0.000 1.668 562 P CA 0.343 63.437 63.100 -0.010 0.000 0.898 562 P CB -0.349 31.401 31.700 0.084 0.000 1.637 563 H N -3.222 115.870 119.070 0.037 0.000 3.012 563 H HA 0.235 4.790 4.556 -0.001 0.000 0.367 563 H C -1.031 174.324 175.328 0.045 0.000 1.211 563 H CA -1.071 55.021 56.048 0.073 0.000 1.139 563 H CB -0.040 29.799 29.762 0.128 0.000 1.838 563 H HN -0.133 nan 8.280 nan 0.000 0.550 564 W N 1.797 123.210 121.300 0.188 0.000 2.257 564 W HA 0.214 4.874 4.660 -0.001 0.000 0.337 564 W C 0.922 177.552 176.519 0.185 0.000 1.321 564 W CA 0.480 57.901 57.345 0.126 0.000 1.267 564 W CB 0.432 29.950 29.460 0.096 0.000 1.187 564 W HN 0.527 nan 8.180 nan 0.000 0.565 565 R N 2.247 122.950 120.500 0.339 0.000 2.604 565 R HA 0.309 4.648 4.340 -0.001 0.000 0.281 565 R C -1.102 175.334 176.300 0.227 0.000 1.020 565 R CA -0.680 55.578 56.100 0.264 0.000 0.899 565 R CB 1.446 31.828 30.300 0.137 0.000 1.205 565 R HN 0.505 nan 8.270 nan 0.000 0.450 566 E N 2.356 122.668 120.200 0.186 0.000 2.191 566 E HA 0.261 4.611 4.350 -0.001 0.000 0.274 566 E C -1.259 175.391 176.600 0.084 0.000 0.948 566 E CA -0.789 55.696 56.400 0.142 0.000 0.802 566 E CB 2.389 32.167 29.700 0.129 0.000 1.137 566 E HN 0.395 nan 8.360 nan 0.000 0.397 567 Q N 2.927 122.752 119.800 0.042 0.000 2.386 567 Q HA 0.265 4.604 4.340 -0.001 0.000 0.274 567 Q C -1.508 174.453 176.000 -0.066 0.000 1.011 567 Q CA -0.598 55.201 55.803 -0.007 0.000 0.867 567 Q CB 1.469 30.194 28.738 -0.022 0.000 1.409 567 Q HN 0.547 nan 8.270 nan 0.000 0.395 568 L N 3.115 124.294 121.223 -0.073 0.000 2.426 568 L HA 0.403 4.742 4.340 -0.001 0.000 0.271 568 L C 0.213 176.948 176.870 -0.226 0.000 1.169 568 L CA -0.373 54.384 54.840 -0.138 0.000 0.836 568 L CB 0.694 42.708 42.059 -0.074 0.000 1.112 568 L HN 0.487 nan 8.230 nan 0.000 0.465 569 V N -0.797 118.878 119.914 -0.398 0.000 2.914 569 V HA 0.792 4.912 4.120 -0.001 0.000 0.314 569 V C -1.252 174.567 176.094 -0.458 0.000 1.084 569 V CA -0.894 61.126 62.300 -0.467 0.000 0.963 569 V CB 2.182 33.669 31.823 -0.559 0.000 1.025 569 V HN 0.817 nan 8.190 nan 0.000 0.432 570 D N 0.990 121.107 120.400 -0.471 0.000 2.857 570 D HA 0.722 5.362 4.640 -0.001 0.000 0.227 570 D C -1.240 174.766 176.300 -0.490 0.000 1.192 570 D CA -0.389 53.443 54.000 -0.281 0.000 0.857 570 D CB 1.877 42.612 40.800 -0.109 0.000 1.645 570 D HN 0.432 nan 8.370 nan 0.000 0.482 571 F N 0.095 120.086 119.950 0.069 0.000 2.588 571 F HA 0.436 4.962 4.527 -0.001 0.000 0.314 571 F C -0.604 175.325 175.800 0.215 0.000 1.069 571 F CA -1.056 56.993 58.000 0.082 0.000 0.931 571 F CB 1.569 40.672 39.000 0.171 0.000 1.260 571 F HN 0.173 nan 8.300 nan 0.000 0.465 572 Y N 2.041 122.494 120.300 0.256 0.000 2.304 572 Y HA 0.551 5.101 4.550 -0.001 0.000 0.328 572 Y C 0.186 176.207 175.900 0.201 0.000 1.123 572 Y CA -1.448 56.754 58.100 0.170 0.000 1.218 572 Y CB 0.864 39.377 38.460 0.089 0.000 1.207 572 Y HN 0.330 nan 8.280 nan 0.000 0.495 573 V N -0.513 119.603 119.914 0.335 0.000 2.962 573 V HA 0.554 4.673 4.120 -0.001 0.000 0.313 573 V C 0.331 176.560 176.094 0.225 0.000 1.099 573 V CA -0.773 61.684 62.300 0.262 0.000 0.971 573 V CB 1.709 33.687 31.823 0.259 0.000 1.028 573 V HN 0.672 nan 8.190 nan 0.000 0.430 574 S N 0.271 116.082 115.700 0.186 0.000 2.593 574 S HA 0.263 4.733 4.470 -0.001 0.000 0.217 574 S C 0.649 175.386 174.600 0.229 0.000 0.966 574 S CA 0.481 58.779 58.200 0.162 0.000 0.914 574 S CB -0.281 62.985 63.200 0.110 0.000 0.776 574 S HN 1.490 nan 8.310 nan 0.000 0.523 575 S N 1.177 117.020 115.700 0.238 0.000 2.541 575 S HA 0.578 5.048 4.470 -0.001 0.000 0.271 575 S C -2.630 171.900 174.600 -0.117 0.000 1.133 575 S CA -1.338 56.903 58.200 0.067 0.000 0.876 575 S CB 1.962 65.198 63.200 0.060 0.000 1.105 575 S HN 0.020 nan 8.310 nan 0.000 0.470 576 P HA 0.191 nan 4.420 nan 0.000 0.240 576 P C -0.086 177.067 177.300 -0.246 0.000 1.190 576 P CA 0.338 63.070 63.100 -0.614 0.000 0.781 576 P CB -0.173 30.852 31.700 -1.124 0.000 0.931 577 F N 0.840 120.808 119.950 0.029 0.000 2.467 577 F HA 0.280 4.806 4.527 -0.001 0.000 0.349 577 F C 0.309 176.157 175.800 0.079 0.000 1.182 577 F CA -0.830 57.214 58.000 0.074 0.000 1.279 577 F CB 0.439 39.447 39.000 0.014 0.000 1.626 577 F HN -0.343 nan 8.300 nan 0.000 0.596 578 V N 1.213 121.264 119.914 0.227 0.000 2.709 578 V HA 0.541 4.660 4.120 -0.001 0.000 0.308 578 V C -0.359 175.803 176.094 0.114 0.000 1.062 578 V CA -0.759 61.632 62.300 0.153 0.000 0.901 578 V CB 2.307 34.213 31.823 0.138 0.000 1.003 578 V HN 0.532 nan 8.190 nan 0.000 0.425 579 S N 3.115 118.862 115.700 0.078 0.000 2.634 579 S HA 0.898 5.368 4.470 -0.001 0.000 0.296 579 S C -0.987 173.593 174.600 -0.033 0.000 1.104 579 S CA -0.820 57.404 58.200 0.040 0.000 0.920 579 S CB 2.120 65.364 63.200 0.072 0.000 1.111 579 S HN 0.445 nan 8.310 nan 0.000 0.493 580 V N 1.781 121.635 119.914 -0.100 0.000 2.555 580 V HA 0.811 4.931 4.120 -0.001 0.000 0.302 580 V C 0.048 176.046 176.094 -0.159 0.000 1.038 580 V CA -0.425 61.734 62.300 -0.234 0.000 0.887 580 V CB 1.572 33.058 31.823 -0.561 0.000 0.991 580 V HN 1.215 nan 8.190 nan 0.000 0.434 581 T N -0.484 113.998 114.554 -0.121 0.000 2.906 581 T HA 0.655 5.004 4.350 -0.001 0.000 0.295 581 T C -0.905 173.778 174.700 -0.028 0.000 1.075 581 T CA -0.909 61.145 62.100 -0.076 0.000 1.005 581 T CB 2.093 70.907 68.868 -0.089 0.000 1.136 581 T HN 0.714 nan 8.240 nan 0.000 0.498 582 D N 0.664 121.020 120.400 -0.072 0.000 2.466 582 D HA 0.235 4.875 4.640 -0.001 0.000 0.262 582 D C 1.019 177.183 176.300 -0.228 0.000 1.177 582 D CA -1.193 52.655 54.000 -0.254 0.000 1.035 582 D CB 0.360 41.009 40.800 -0.252 0.000 1.105 582 D HN 0.297 nan 8.370 nan 0.000 0.551 583 L N -0.245 120.823 121.223 -0.259 0.000 2.465 583 L HA 0.166 4.505 4.340 -0.001 0.000 0.224 583 L C 1.958 178.747 176.870 -0.134 0.000 1.145 583 L CA 1.028 55.757 54.840 -0.186 0.000 0.834 583 L CB -1.070 40.886 42.059 -0.172 0.000 0.944 583 L HN 0.656 nan 8.230 nan 0.000 0.451 584 A N -1.322 121.425 122.820 -0.122 0.000 2.302 584 A HA 0.065 4.384 4.320 -0.001 0.000 0.219 584 A C 1.141 178.676 177.584 -0.081 0.000 1.243 584 A CA 0.236 52.219 52.037 -0.090 0.000 0.856 584 A CB -0.494 18.459 19.000 -0.078 0.000 0.893 584 A HN 0.520 nan 8.150 nan 0.000 0.491 585 N N -0.147 118.498 118.700 -0.092 0.000 2.800 585 N HA -0.128 4.611 4.740 -0.001 0.000 0.250 585 N C -1.046 174.418 175.510 -0.078 0.000 1.078 585 N CA 0.651 53.653 53.050 -0.079 0.000 0.804 585 N CB -1.326 37.125 38.487 -0.060 0.000 1.135 585 N HN 0.598 nan 8.380 nan 0.000 0.565 586 N N 1.463 120.113 118.700 -0.082 0.000 2.497 586 N HA 0.273 5.013 4.740 -0.001 0.000 0.271 586 N C -2.400 173.039 175.510 -0.118 0.000 1.142 586 N CA -0.686 52.311 53.050 -0.088 0.000 0.965 586 N CB 0.678 39.124 38.487 -0.068 0.000 1.077 586 N HN 0.142 nan 8.380 nan 0.000 0.462 587 P HA 0.104 nan 4.420 nan 0.000 0.271 587 P C -0.489 176.672 177.300 -0.231 0.000 1.218 587 P CA -0.134 62.777 63.100 -0.316 0.000 0.780 587 P CB 0.774 31.989 31.700 -0.808 0.000 0.901 588 V N 2.068 121.890 119.914 -0.153 0.000 2.588 588 V HA 0.228 4.348 4.120 -0.001 0.000 0.304 588 V C 0.277 176.362 176.094 -0.015 0.000 1.042 588 V CA -0.801 61.470 62.300 -0.049 0.000 0.877 588 V CB 1.516 33.321 31.823 -0.030 0.000 0.996 588 V HN 0.539 nan 8.190 nan 0.000 0.425 589 E N 3.000 123.233 120.200 0.056 0.000 2.384 589 E HA 0.513 4.862 4.350 -0.001 0.000 0.266 589 E C -0.260 176.407 176.600 0.111 0.000 1.012 589 E CA 0.072 56.536 56.400 0.107 0.000 0.901 589 E CB 0.985 30.753 29.700 0.113 0.000 0.967 589 E HN 0.894 nan 8.360 nan 0.000 0.435 590 A N 4.082 126.957 122.820 0.092 0.000 2.527 590 A HA 0.424 4.744 4.320 -0.001 0.000 0.293 590 A C -1.358 176.246 177.584 0.032 0.000 1.117 590 A CA -0.717 51.384 52.037 0.108 0.000 0.723 590 A CB 1.961 21.017 19.000 0.093 0.000 1.313 590 A HN 0.666 nan 8.150 nan 0.000 0.411 591 Q N 0.720 120.547 119.800 0.045 0.000 2.356 591 Q HA 0.660 4.999 4.340 -0.001 0.000 0.270 591 Q C -2.024 173.974 176.000 -0.004 0.000 1.058 591 Q CA -0.560 55.227 55.803 -0.026 0.000 0.802 591 Q CB 2.210 30.972 28.738 0.040 0.000 1.303 591 Q HN 0.583 nan 8.270 nan 0.000 0.444 592 V N 2.606 122.452 119.914 -0.114 0.000 2.459 592 V HA 0.580 4.700 4.120 -0.001 0.000 0.295 592 V C -0.569 175.713 176.094 0.313 0.000 1.029 592 V CA -0.312 62.040 62.300 0.086 0.000 0.874 592 V CB 1.846 33.693 31.823 0.039 0.000 0.985 592 V HN 0.853 nan 8.190 nan 0.000 0.438 593 S N 5.173 121.085 115.700 0.353 0.000 2.634 593 S HA 0.701 5.171 4.470 -0.001 0.000 0.296 593 S C -2.761 171.915 174.600 0.125 0.000 1.104 593 S CA -1.173 57.218 58.200 0.318 0.000 0.920 593 S CB 2.438 65.774 63.200 0.226 0.000 1.111 593 S HN 0.536 nan 8.310 nan 0.000 0.493 594 P HA 0.294 nan 4.420 nan 0.000 0.274 594 P C -1.185 175.814 177.300 -0.501 0.000 1.256 594 P CA -0.533 62.205 63.100 -0.604 0.000 0.795 594 P CB 0.389 31.326 31.700 -1.271 0.000 1.038 595 V N 1.284 120.821 119.914 -0.628 0.000 2.333 595 V HA 0.223 4.342 4.120 -0.001 0.000 0.274 595 V C -0.638 175.166 176.094 -0.483 0.000 1.028 595 V CA -0.209 61.816 62.300 -0.458 0.000 0.851 595 V CB -0.218 31.252 31.823 -0.588 0.000 1.000 595 V HN 0.513 nan 8.190 nan 0.000 0.456 596 W N 3.456 124.677 121.300 -0.130 0.000 2.478 596 W HA 0.636 5.296 4.660 -0.001 0.000 0.318 596 W C 0.360 176.822 176.519 -0.096 0.000 1.062 596 W CA -0.441 56.812 57.345 -0.153 0.000 1.210 596 W CB 1.936 31.316 29.460 -0.135 0.000 1.325 596 W HN 0.570 nan 8.180 nan 0.000 0.496 597 S N 1.486 117.254 115.700 0.114 0.000 2.526 597 S HA 0.582 5.052 4.470 -0.001 0.000 0.293 597 S C -1.386 173.227 174.600 0.022 0.000 1.092 597 S CA -0.946 57.320 58.200 0.109 0.000 0.980 597 S CB 1.123 64.353 63.200 0.049 0.000 1.048 597 S HN 0.415 nan 8.310 nan 0.000 0.483 598 W N 1.662 122.996 121.300 0.057 0.000 2.417 598 W HA 0.577 5.237 4.660 -0.001 0.000 0.317 598 W C 0.355 176.898 176.519 0.039 0.000 1.121 598 W CA 0.017 57.375 57.345 0.022 0.000 1.208 598 W CB 0.967 30.420 29.460 -0.012 0.000 1.253 598 W HN 0.962 nan 8.180 nan 0.000 0.533 599 H N 0.472 119.554 119.070 0.020 0.000 2.679 599 H HA 0.319 4.874 4.556 -0.001 0.000 0.360 599 H C -1.367 173.946 175.328 -0.024 0.000 1.105 599 H CA -0.989 55.031 56.048 -0.046 0.000 1.196 599 H CB 1.237 30.910 29.762 -0.149 0.000 1.636 599 H HN 0.598 nan 8.280 nan 0.000 0.531 600 H N 4.045 122.905 119.070 -0.350 0.000 2.820 600 H HA 0.132 4.688 4.556 -0.001 0.000 0.278 600 H C -0.642 174.311 175.328 -0.624 0.000 1.142 600 H CA -0.825 55.020 56.048 -0.337 0.000 1.346 600 H CB 0.417 30.102 29.762 -0.128 0.000 1.438 600 H HN 0.597 nan 8.280 nan 0.000 0.473 601 D N 4.127 124.259 120.400 -0.446 0.000 2.359 601 D HA -0.058 4.582 4.640 -0.001 0.000 0.250 601 D C 1.016 177.394 176.300 0.130 0.000 1.264 601 D CA 0.211 54.035 54.000 -0.294 0.000 0.911 601 D CB 1.252 42.073 40.800 0.035 0.000 1.056 601 D HN 0.688 nan 8.370 nan 0.000 0.499 602 T N 3.381 118.009 114.554 0.123 0.000 3.113 602 T HA 0.026 4.375 4.350 -0.001 0.000 0.263 602 T C 1.847 176.602 174.700 0.092 0.000 1.143 602 T CA 0.549 62.710 62.100 0.101 0.000 1.090 602 T CB 0.097 68.964 68.868 -0.002 0.000 0.922 602 T HN 0.405 nan 8.240 nan 0.000 0.521 603 L N 0.470 121.756 121.223 0.105 0.000 2.189 603 L HA 0.117 4.457 4.340 -0.001 0.000 0.199 603 L C 2.954 179.868 176.870 0.074 0.000 1.074 603 L CA 1.422 56.312 54.840 0.083 0.000 0.783 603 L CB -0.630 41.482 42.059 0.088 0.000 0.955 603 L HN 0.302 nan 8.230 nan 0.000 0.460 604 T N -4.325 110.281 114.554 0.087 0.000 3.088 604 T HA 0.008 4.358 4.350 -0.001 0.000 0.259 604 T C 0.719 175.448 174.700 0.049 0.000 1.122 604 T CA -0.158 61.977 62.100 0.057 0.000 1.095 604 T CB 0.054 68.949 68.868 0.045 0.000 0.930 604 T HN 0.091 nan 8.240 nan 0.000 0.508 605 K N 1.992 122.432 120.400 0.068 0.000 3.125 605 K HA -0.123 4.197 4.320 -0.001 0.000 0.268 605 K C 0.113 176.698 176.600 -0.026 0.000 1.078 605 K CA 1.261 57.577 56.287 0.049 0.000 0.775 605 K CB -2.876 29.652 32.500 0.046 0.000 1.253 605 K HN 0.886 nan 8.250 nan 0.000 0.486 606 T N -2.848 111.689 114.554 -0.027 0.000 2.883 606 T HA 0.814 5.163 4.350 -0.001 0.000 0.296 606 T C 0.189 174.858 174.700 -0.052 0.000 1.117 606 T CA -1.057 61.031 62.100 -0.020 0.000 1.006 606 T CB 2.303 71.216 68.868 0.075 0.000 1.191 606 T HN 0.133 nan 8.240 nan 0.000 0.508 607 I N 2.960 123.519 120.570 -0.018 0.000 2.355 607 I HA 0.534 4.704 4.170 -0.001 0.000 0.288 607 I C -0.403 175.892 176.117 0.296 0.000 0.999 607 I CA -0.709 60.600 61.300 0.015 0.000 1.163 607 I CB 0.801 38.784 38.000 -0.028 0.000 1.316 607 I HN 0.941 nan 8.210 nan 0.000 0.454 608 H N 5.789 124.963 119.070 0.174 0.000 3.016 608 H HA 0.663 5.219 4.556 -0.001 0.000 0.362 608 H C -3.169 171.957 175.328 -0.338 0.000 1.233 608 H CA -2.402 53.626 56.048 -0.034 0.000 1.124 608 H CB 1.803 31.547 29.762 -0.031 0.000 1.850 608 H HN 0.154 nan 8.280 nan 0.000 0.549 609 P HA 0.223 nan 4.420 nan 0.000 0.292 609 P C -1.105 176.121 177.300 -0.124 0.000 1.283 609 P CA -0.650 61.942 63.100 -0.848 0.000 0.835 609 P CB 1.938 32.746 31.700 -1.486 0.000 1.017 610 Q N 0.778 120.580 119.800 0.004 0.000 2.337 610 Q HA 0.637 4.977 4.340 -0.001 0.000 0.266 610 Q C 0.170 176.221 176.000 0.086 0.000 1.023 610 Q CA -0.841 55.023 55.803 0.103 0.000 0.829 610 Q CB 2.345 31.073 28.738 -0.017 0.000 1.306 610 Q HN 0.531 nan 8.270 nan 0.000 0.449 611 G N 0.623 109.358 108.800 -0.108 0.000 2.389 611 G HA2 0.355 4.315 3.960 -0.001 0.000 0.328 611 G HA3 0.355 4.315 3.960 -0.001 0.000 0.328 611 G C -0.612 174.018 174.900 -0.450 0.000 1.133 611 G CA -0.393 44.324 45.100 -0.638 0.000 0.891 611 G HN 0.421 nan 8.290 nan 0.000 0.485 612 S N -0.550 114.830 115.700 -0.533 0.000 2.580 612 S HA 0.361 4.830 4.470 -0.001 0.000 0.274 612 S C 1.509 175.846 174.600 -0.439 0.000 1.329 612 S CA 0.212 58.144 58.200 -0.447 0.000 1.036 612 S CB 0.816 63.697 63.200 -0.531 0.000 0.919 612 S HN 0.897 nan 8.310 nan 0.000 0.515 613 T N -0.217 114.165 114.554 -0.286 0.000 3.092 613 T HA 0.173 4.523 4.350 -0.001 0.000 0.258 613 T C 0.980 175.608 174.700 -0.120 0.000 1.031 613 T CA 0.417 62.425 62.100 -0.155 0.000 0.925 613 T CB -0.206 68.621 68.868 -0.069 0.000 1.036 613 T HN 0.695 nan 8.240 nan 0.000 0.544 614 T N -2.156 112.228 114.554 -0.284 0.000 3.130 614 T HA 0.399 4.748 4.350 -0.001 0.000 0.288 614 T C 0.111 174.604 174.700 -0.345 0.000 0.936 614 T CA -0.540 61.449 62.100 -0.186 0.000 0.897 614 T CB 0.316 69.121 68.868 -0.105 0.000 1.178 614 T HN 0.226 nan 8.240 nan 0.000 0.543 615 K N 0.680 120.635 120.400 -0.742 0.000 2.422 615 K HA 0.669 4.989 4.320 -0.001 0.000 0.251 615 K C -1.894 174.009 176.600 -1.160 0.000 0.933 615 K CA -0.755 55.142 56.287 -0.650 0.000 0.798 615 K CB 2.378 34.561 32.500 -0.527 0.000 1.238 615 K HN 0.152 nan 8.250 nan 0.000 0.428 616 Y N -0.045 120.187 120.300 -0.113 0.000 2.609 616 Y HA 0.426 4.975 4.550 -0.001 0.000 0.342 616 Y C -0.239 175.700 175.900 0.065 0.000 1.058 616 Y CA -1.167 56.901 58.100 -0.053 0.000 1.055 616 Y CB 1.821 40.311 38.460 0.050 0.000 1.292 616 Y HN 0.240 nan 8.280 nan 0.000 0.476 617 R N 1.756 122.411 120.500 0.257 0.000 2.294 617 R HA 0.572 4.912 4.340 -0.001 0.000 0.319 617 R C -1.250 175.229 176.300 0.298 0.000 0.984 617 R CA -0.621 55.668 56.100 0.316 0.000 0.861 617 R CB 1.651 32.112 30.300 0.268 0.000 1.104 617 R HN 0.628 nan 8.270 nan 0.000 0.451 618 I N 4.239 125.002 120.570 0.321 0.000 2.412 618 I HA 0.432 4.601 4.170 -0.001 0.000 0.296 618 I C -1.018 175.287 176.117 0.314 0.000 0.987 618 I CA -0.747 60.734 61.300 0.301 0.000 1.180 618 I CB 1.012 39.202 38.000 0.318 0.000 1.340 618 I HN 0.547 nan 8.210 nan 0.000 0.455 619 I N 8.111 128.838 120.570 0.262 0.000 2.533 619 I HA 0.498 4.668 4.170 -0.001 0.000 0.290 619 I C -1.022 175.253 176.117 0.264 0.000 1.056 619 I CA -0.516 60.886 61.300 0.170 0.000 1.057 619 I CB 1.694 39.755 38.000 0.101 0.000 1.240 619 I HN 0.511 nan 8.210 nan 0.000 0.423 620 F N 2.785 122.757 119.950 0.037 0.000 2.686 620 F HA 0.583 5.110 4.527 -0.001 0.000 0.311 620 F C -1.037 174.745 175.800 -0.030 0.000 1.128 620 F CA -1.277 56.722 58.000 -0.001 0.000 0.946 620 F CB 1.369 40.353 39.000 -0.027 0.000 1.336 620 F HN 0.203 nan 8.300 nan 0.000 0.457 621 K N 1.948 122.449 120.400 0.168 0.000 2.285 621 K HA 0.729 5.049 4.320 -0.001 0.000 0.286 621 K C -0.691 175.966 176.600 0.094 0.000 1.072 621 K CA -0.385 55.936 56.287 0.056 0.000 0.913 621 K CB 0.887 33.449 32.500 0.104 0.000 1.067 621 K HN 0.928 nan 8.250 nan 0.000 0.479 622 A N 4.656 127.436 122.820 -0.066 0.000 2.310 622 A HA 0.399 4.719 4.320 -0.001 0.000 0.299 622 A C -0.625 177.093 177.584 0.224 0.000 1.147 622 A CA -0.670 51.398 52.037 0.051 0.000 0.818 622 A CB 0.650 19.633 19.000 -0.027 0.000 1.096 622 A HN 0.882 nan 8.150 nan 0.000 0.495 623 R N 2.081 122.822 120.500 0.401 0.000 2.439 623 R HA 0.604 4.944 4.340 -0.001 0.000 0.310 623 R C -1.903 174.653 176.300 0.426 0.000 0.955 623 R CA -0.243 56.081 56.100 0.373 0.000 0.853 623 R CB 1.347 31.849 30.300 0.337 0.000 1.171 623 R HN 0.503 nan 8.270 nan 0.000 0.449 624 V N 6.074 126.193 119.914 0.341 0.000 2.656 624 V HA 0.470 4.589 4.120 -0.001 0.000 0.307 624 V C -2.272 173.715 176.094 -0.178 0.000 1.051 624 V CA -2.319 60.069 62.300 0.148 0.000 0.893 624 V CB 1.950 33.838 31.823 0.108 0.000 0.999 624 V HN 0.781 nan 8.190 nan 0.000 0.426 625 P HA 0.238 nan 4.420 nan 0.000 0.271 625 P C -2.751 174.058 177.300 -0.819 0.000 1.233 625 P CA -1.466 60.732 63.100 -1.503 0.000 0.789 625 P CB -0.239 30.774 31.700 -1.144 0.000 0.951 626 P HA 0.076 nan 4.420 nan 0.000 0.264 626 P C 0.140 177.390 177.300 -0.082 0.000 1.193 626 P CA 0.615 63.521 63.100 -0.323 0.000 0.763 626 P CB -0.239 31.345 31.700 -0.194 0.000 0.810 627 M N 0.294 119.890 119.600 -0.007 0.000 2.253 627 M HA -0.217 4.262 4.480 -0.001 0.000 0.199 627 M C 0.573 177.064 176.300 0.319 0.000 0.342 627 M CA 0.994 56.428 55.300 0.224 0.000 0.417 627 M CB -2.004 30.816 32.600 0.367 0.000 1.338 627 M HN 0.589 nan 8.290 nan 0.000 0.920 628 G N -0.221 108.621 108.800 0.070 0.000 3.022 628 G HA2 0.927 4.886 3.960 -0.001 0.000 0.284 628 G HA3 0.927 4.886 3.960 -0.001 0.000 0.284 628 G C -1.338 173.676 174.900 0.190 0.000 1.375 628 G CA -0.974 44.130 45.100 0.008 0.000 0.902 628 G HN 0.179 nan 8.290 nan 0.000 0.538 629 L N -0.445 120.875 121.223 0.161 0.000 2.388 629 L HA 0.805 5.145 4.340 -0.001 0.000 0.264 629 L C -0.198 176.755 176.870 0.138 0.000 0.998 629 L CA -1.037 53.929 54.840 0.209 0.000 0.817 629 L CB 2.463 44.653 42.059 0.218 0.000 1.338 629 L HN 0.752 nan 8.230 nan 0.000 0.414 630 A N 0.815 123.755 122.820 0.200 0.000 2.427 630 A HA 0.799 5.118 4.320 -0.001 0.000 0.298 630 A C -0.779 176.932 177.584 0.212 0.000 1.036 630 A CA -0.448 51.686 52.037 0.162 0.000 0.701 630 A CB 1.711 20.856 19.000 0.242 0.000 1.250 630 A HN 0.560 nan 8.150 nan 0.000 0.412 631 T N 2.163 116.739 114.554 0.037 0.000 2.829 631 T HA 0.649 4.998 4.350 -0.001 0.000 0.282 631 T C -1.045 173.553 174.700 -0.169 0.000 0.990 631 T CA 0.245 62.411 62.100 0.111 0.000 1.028 631 T CB 0.336 69.270 68.868 0.110 0.000 0.951 631 T HN 0.441 nan 8.240 nan 0.000 0.460 632 Y N 0.338 120.715 120.300 0.128 0.000 2.605 632 Y HA 0.678 5.227 4.550 -0.001 0.000 0.343 632 Y C -0.334 175.486 175.900 -0.133 0.000 1.036 632 Y CA -1.161 56.929 58.100 -0.016 0.000 1.065 632 Y CB 1.715 40.184 38.460 0.014 0.000 1.288 632 Y HN 0.308 nan 8.280 nan 0.000 0.481 633 V N 2.749 122.624 119.914 -0.065 0.000 2.588 633 V HA 0.428 4.547 4.120 -0.001 0.000 0.304 633 V C -1.167 174.866 176.094 -0.101 0.000 1.042 633 V CA -0.772 61.426 62.300 -0.169 0.000 0.877 633 V CB 1.834 33.484 31.823 -0.288 0.000 0.996 633 V HN 0.413 nan 8.190 nan 0.000 0.425 634 L N 3.909 125.101 121.223 -0.051 0.000 2.287 634 L HA 0.712 5.052 4.340 -0.001 0.000 0.287 634 L C 0.246 177.131 176.870 0.026 0.000 1.022 634 L CA 0.428 55.253 54.840 -0.025 0.000 0.814 634 L CB 1.916 43.974 42.059 -0.002 0.000 1.217 634 L HN 0.735 nan 8.230 nan 0.000 0.420 635 T N 4.161 118.733 114.554 0.031 0.000 2.861 635 T HA 0.538 4.887 4.350 -0.001 0.000 0.287 635 T C -0.274 174.474 174.700 0.080 0.000 1.003 635 T CA -0.392 61.741 62.100 0.055 0.000 0.977 635 T CB 1.718 70.607 68.868 0.036 0.000 0.996 635 T HN 0.382 nan 8.240 nan 0.000 0.448 636 I N 3.048 123.675 120.570 0.094 0.000 2.612 636 I HA 0.567 4.736 4.170 -0.001 0.000 0.295 636 I C 0.225 176.407 176.117 0.107 0.000 1.011 636 I CA 0.076 61.448 61.300 0.120 0.000 1.326 636 I CB 0.813 38.886 38.000 0.122 0.000 1.427 636 I HN 0.825 nan 8.210 nan 0.000 0.537 637 S N 2.486 118.266 115.700 0.135 0.000 2.697 637 S HA 0.345 4.814 4.470 -0.001 0.000 0.289 637 S C -0.074 174.559 174.600 0.056 0.000 1.149 637 S CA -0.376 57.867 58.200 0.072 0.000 0.850 637 S CB 1.538 64.763 63.200 0.043 0.000 1.151 637 S HN 0.724 nan 8.310 nan 0.000 0.491 638 D N 0.140 120.513 120.400 -0.046 0.000 2.347 638 D HA 0.154 4.794 4.640 -0.001 0.000 0.215 638 D C 0.819 176.857 176.300 -0.438 0.000 0.976 638 D CA 0.725 54.657 54.000 -0.114 0.000 0.884 638 D CB -0.062 40.687 40.800 -0.086 0.000 0.915 638 D HN 0.664 nan 8.370 nan 0.000 0.526 639 S N -1.767 113.580 115.700 -0.589 0.000 2.688 639 S HA 0.362 4.831 4.470 -0.001 0.000 0.275 639 S C -0.868 173.301 174.600 -0.718 0.000 1.175 639 S CA -1.338 56.239 58.200 -1.039 0.000 0.818 639 S CB 1.109 63.992 63.200 -0.527 0.000 1.157 639 S HN -0.022 nan 8.310 nan 0.000 0.482 640 K N 1.702 121.795 120.400 -0.512 0.000 2.466 640 K HA 0.186 4.506 4.320 -0.001 0.000 0.278 640 K C -2.461 174.172 176.600 0.055 0.000 1.048 640 K CA -0.542 55.770 56.287 0.042 0.000 1.088 640 K CB -0.713 31.847 32.500 0.100 0.000 0.884 640 K HN 0.375 nan 8.250 nan 0.000 0.478 641 P HA 0.003 nan 4.420 nan 0.000 0.275 641 P C 0.600 177.924 177.300 0.041 0.000 1.228 641 P CA -0.300 62.853 63.100 0.087 0.000 0.786 641 P CB 0.741 32.517 31.700 0.127 0.000 0.927 642 E N 1.303 121.488 120.200 -0.026 0.000 2.118 642 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 642 E C 0.557 176.973 176.600 -0.307 0.000 0.992 642 E CA 1.183 57.474 56.400 -0.181 0.000 0.804 642 E CB -0.043 29.485 29.700 -0.286 0.000 0.741 642 E HN 0.496 nan 8.360 nan 0.000 0.458 643 H N -0.682 118.398 119.070 0.017 0.000 2.505 643 H HA 0.211 4.766 4.556 -0.001 0.000 0.289 643 H C -0.383 174.939 175.328 -0.010 0.000 1.052 643 H CA 0.231 56.283 56.048 0.006 0.000 1.156 643 H CB 0.680 30.444 29.762 0.003 0.000 1.507 643 H HN -0.040 nan 8.280 nan 0.000 0.548 644 T N 1.489 116.063 114.554 0.033 0.000 2.812 644 T HA 0.314 4.663 4.350 -0.001 0.000 0.282 644 T C 0.291 174.868 174.700 -0.205 0.000 0.990 644 T CA -0.701 61.352 62.100 -0.078 0.000 0.960 644 T CB 2.129 70.952 68.868 -0.074 0.000 0.948 644 T HN 0.266 nan 8.240 nan 0.000 0.438 645 S N 2.338 117.869 115.700 -0.282 0.000 2.718 645 S HA 0.787 5.256 4.470 -0.001 0.000 0.300 645 S C -1.381 172.844 174.600 -0.625 0.000 1.117 645 S CA -0.823 57.216 58.200 -0.268 0.000 1.002 645 S CB 0.875 64.036 63.200 -0.065 0.000 1.092 645 S HN 0.573 nan 8.310 nan 0.000 0.542 646 Y N -0.027 120.276 120.300 0.005 0.000 2.376 646 Y HA 0.658 5.208 4.550 -0.001 0.000 0.340 646 Y C 0.590 176.541 175.900 0.084 0.000 0.965 646 Y CA -0.799 57.290 58.100 -0.018 0.000 1.078 646 Y CB 1.679 39.987 38.460 -0.254 0.000 1.193 646 Y HN 1.031 nan 8.280 nan 0.000 0.452 647 A N 1.927 124.935 122.820 0.314 0.000 2.386 647 A HA 0.507 4.827 4.320 -0.001 0.000 0.248 647 A C 0.268 178.052 177.584 0.334 0.000 1.082 647 A CA -0.311 51.898 52.037 0.288 0.000 0.789 647 A CB -0.049 19.121 19.000 0.283 0.000 1.025 647 A HN 0.771 nan 8.150 nan 0.000 0.490 648 S N 1.824 117.656 115.700 0.220 0.000 2.652 648 S HA 0.563 5.033 4.470 -0.001 0.000 0.270 648 S C -0.363 174.339 174.600 0.170 0.000 1.243 648 S CA -0.878 57.438 58.200 0.192 0.000 0.999 648 S CB 0.771 64.040 63.200 0.115 0.000 0.973 648 S HN 0.691 nan 8.310 nan 0.000 0.544 649 N N 0.413 119.191 118.700 0.129 0.000 2.310 649 N HA 0.475 5.214 4.740 -0.001 0.000 0.292 649 N C -2.029 173.436 175.510 -0.075 0.000 1.049 649 N CA -0.516 52.572 53.050 0.064 0.000 0.849 649 N CB 2.033 40.647 38.487 0.212 0.000 1.532 649 N HN 0.601 nan 8.380 nan 0.000 0.479 650 L N 2.613 123.748 121.223 -0.146 0.000 2.404 650 L HA 0.490 4.829 4.340 -0.001 0.000 0.272 650 L C -1.572 175.150 176.870 -0.246 0.000 0.980 650 L CA -0.567 54.154 54.840 -0.199 0.000 0.836 650 L CB 1.473 43.468 42.059 -0.107 0.000 1.238 650 L HN 0.420 nan 8.230 nan 0.000 0.408 651 L N 6.663 127.691 121.223 -0.323 0.000 2.265 651 L HA 0.476 4.816 4.340 -0.001 0.000 0.289 651 L C -1.206 175.639 176.870 -0.041 0.000 1.033 651 L CA -0.352 54.362 54.840 -0.211 0.000 0.814 651 L CB 1.223 43.157 42.059 -0.208 0.000 1.203 651 L HN 0.684 nan 8.230 nan 0.000 0.423 652 L N 6.929 128.145 121.223 -0.013 0.000 2.276 652 L HA 0.568 4.907 4.340 -0.001 0.000 0.286 652 L C -0.320 176.584 176.870 0.055 0.000 1.024 652 L CA -0.558 54.302 54.840 0.033 0.000 0.826 652 L CB 1.143 43.213 42.059 0.019 0.000 1.211 652 L HN 0.674 nan 8.230 nan 0.000 0.422 653 R N 1.938 122.481 120.500 0.072 0.000 2.739 653 R HA 0.437 4.777 4.340 -0.001 0.000 0.266 653 R C -1.761 174.568 176.300 0.048 0.000 1.044 653 R CA -1.029 55.106 56.100 0.058 0.000 0.885 653 R CB 1.144 31.477 30.300 0.056 0.000 1.260 653 R HN 0.201 nan 8.270 nan 0.000 0.477 654 K N 1.172 121.589 120.400 0.028 0.000 2.126 654 K HA 0.257 4.577 4.320 -0.001 0.000 0.257 654 K C -0.292 176.303 176.600 -0.008 0.000 1.007 654 K CA -0.401 55.894 56.287 0.013 0.000 0.928 654 K CB 0.500 33.007 32.500 0.011 0.000 1.013 654 K HN 0.809 nan 8.250 nan 0.000 0.473 655 N N 0.856 119.540 118.700 -0.026 0.000 2.746 655 N HA -0.106 4.633 4.740 -0.001 0.000 0.250 655 N C -2.636 172.821 175.510 -0.088 0.000 1.055 655 N CA 0.080 53.097 53.050 -0.055 0.000 0.699 655 N CB -0.727 37.733 38.487 -0.045 0.000 0.919 655 N HN 0.387 nan 8.380 nan 0.000 0.548 656 P HA 0.308 nan 4.420 nan 0.000 0.276 656 P C -0.294 176.821 177.300 -0.307 0.000 1.244 656 P CA -0.120 62.867 63.100 -0.187 0.000 0.801 656 P CB 1.099 32.669 31.700 -0.216 0.000 1.006 657 T N -2.608 111.758 114.554 -0.312 0.000 2.916 657 T HA 0.487 4.836 4.350 -0.001 0.000 0.292 657 T C 0.261 174.760 174.700 -0.335 0.000 1.064 657 T CA -0.769 61.161 62.100 -0.283 0.000 1.011 657 T CB 0.640 69.415 68.868 -0.155 0.000 1.152 657 T HN 0.473 nan 8.240 nan 0.000 0.510 658 S N 0.660 116.225 115.700 -0.225 0.000 2.573 658 S HA 0.394 4.864 4.470 -0.001 0.000 0.277 658 S C -0.174 174.512 174.600 0.144 0.000 1.346 658 S CA -0.746 57.421 58.200 -0.055 0.000 1.034 658 S CB -0.347 62.842 63.200 -0.018 0.000 0.879 658 S HN 0.692 nan 8.310 nan 0.000 0.528 659 L N 2.479 123.892 121.223 0.317 0.000 2.481 659 L HA 0.375 4.715 4.340 -0.001 0.000 0.255 659 L C -2.315 174.659 176.870 0.173 0.000 1.192 659 L CA -1.559 53.442 54.840 0.268 0.000 0.924 659 L CB 1.677 43.979 42.059 0.404 0.000 1.179 659 L HN 0.609 nan 8.230 nan 0.000 0.491 660 P HA 0.196 nan 4.420 nan 0.000 0.274 660 P C -0.112 177.187 177.300 -0.001 0.000 1.231 660 P CA -0.203 62.933 63.100 0.060 0.000 0.790 660 P CB 1.826 33.551 31.700 0.043 0.000 0.951 661 L N 0.970 122.203 121.223 0.017 0.000 3.366 661 L HA 0.291 4.631 4.340 -0.001 0.000 0.304 661 L C 1.368 178.308 176.870 0.117 0.000 1.292 661 L CA -0.090 54.741 54.840 -0.014 0.000 1.012 661 L CB 0.094 42.118 42.059 -0.058 0.000 1.414 661 L HN 0.746 nan 8.230 nan 0.000 0.603 662 G N 1.115 109.964 108.800 0.081 0.000 2.591 662 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.298 662 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.298 662 G C 0.538 175.486 174.900 0.080 0.000 1.195 662 G CA 0.679 45.840 45.100 0.101 0.000 0.989 662 G HN 0.451 nan 8.290 nan 0.000 0.551 663 Q N -0.503 119.321 119.800 0.040 0.000 2.472 663 Q HA 0.155 4.495 4.340 -0.001 0.000 0.208 663 Q C 0.903 176.721 176.000 -0.304 0.000 0.958 663 Q CA 0.343 56.066 55.803 -0.133 0.000 0.932 663 Q CB 0.245 28.819 28.738 -0.273 0.000 1.007 663 Q HN 0.507 nan 8.270 nan 0.000 0.508 664 Y N 4.221 124.307 120.300 -0.356 0.000 2.805 664 Y HA -0.064 4.486 4.550 -0.001 0.000 0.331 664 Y C -1.315 174.423 175.900 -0.270 0.000 1.241 664 Y CA -1.391 56.483 58.100 -0.377 0.000 1.546 664 Y CB 0.790 39.194 38.460 -0.093 0.000 1.248 664 Y HN 0.044 nan 8.280 nan 0.000 0.559 665 P HA -0.067 nan 4.420 nan 0.000 0.237 665 P C -0.512 176.625 177.300 -0.272 0.000 1.178 665 P CA 0.781 63.596 63.100 -0.475 0.000 0.766 665 P CB 0.431 31.753 31.700 -0.629 0.000 0.876 666 E N 0.709 120.783 120.200 -0.209 0.000 2.176 666 E HA 0.239 4.589 4.350 -0.001 0.000 0.267 666 E C -0.768 175.946 176.600 0.189 0.000 0.893 666 E CA -0.695 55.725 56.400 0.034 0.000 0.761 666 E CB 0.663 30.433 29.700 0.115 0.000 1.133 666 E HN -0.141 nan 8.360 nan 0.000 0.409 667 D N 2.322 122.796 120.400 0.123 0.000 2.382 667 D HA 0.093 4.733 4.640 -0.001 0.000 0.245 667 D C -0.166 176.199 176.300 0.108 0.000 1.120 667 D CA -0.189 53.889 54.000 0.131 0.000 0.890 667 D CB 1.157 42.020 40.800 0.105 0.000 1.201 667 D HN 0.158 nan 8.370 nan 0.000 0.433 668 V N 3.447 123.413 119.914 0.086 0.000 2.673 668 V HA -0.020 4.100 4.120 -0.001 0.000 0.303 668 V C 0.802 176.734 176.094 -0.271 0.000 1.046 668 V CA 0.144 62.399 62.300 -0.076 0.000 1.126 668 V CB 0.380 32.143 31.823 -0.101 0.000 0.934 668 V HN 0.304 nan 8.190 nan 0.000 0.487 669 K N 3.687 123.866 120.400 -0.369 0.000 2.156 669 K HA 0.654 4.974 4.320 -0.001 0.000 0.250 669 K C -0.933 175.274 176.600 -0.655 0.000 0.955 669 K CA -0.358 55.740 56.287 -0.316 0.000 0.855 669 K CB 1.738 34.177 32.500 -0.102 0.000 1.101 669 K HN 0.414 nan 8.250 nan 0.000 0.434 670 F N -0.827 119.135 119.950 0.021 0.000 2.579 670 F HA 0.710 5.236 4.527 -0.001 0.000 0.324 670 F C 0.713 176.517 175.800 0.006 0.000 1.058 670 F CA -0.621 57.382 58.000 0.006 0.000 0.944 670 F CB 2.646 41.647 39.000 0.002 0.000 1.245 670 F HN 0.592 nan 8.300 nan 0.000 0.477 671 G N 0.310 109.215 108.800 0.175 0.000 2.601 671 G HA2 0.387 4.347 3.960 -0.001 0.000 0.291 671 G HA3 0.387 4.347 3.960 -0.001 0.000 0.291 671 G C -2.166 172.785 174.900 0.085 0.000 1.456 671 G CA -0.859 44.304 45.100 0.105 0.000 0.804 671 G HN 0.368 nan 8.290 nan 0.000 0.499 672 D N 0.733 121.171 120.400 0.062 0.000 2.362 672 D HA 0.386 5.025 4.640 -0.001 0.000 0.242 672 D C -1.992 174.335 176.300 0.045 0.000 1.132 672 D CA -0.650 53.380 54.000 0.050 0.000 0.907 672 D CB 1.077 41.900 40.800 0.039 0.000 1.195 672 D HN -0.009 nan 8.370 nan 0.000 0.429 673 P HA 0.051 nan 4.420 nan 0.000 0.265 673 P C -0.420 176.906 177.300 0.044 0.000 1.187 673 P CA 0.467 63.594 63.100 0.045 0.000 0.766 673 P CB 0.429 32.157 31.700 0.046 0.000 0.820 674 R N 0.289 120.818 120.500 0.048 0.000 2.712 674 R HA 0.415 4.754 4.340 -0.001 0.000 0.272 674 R C -1.148 175.190 176.300 0.064 0.000 1.032 674 R CA -1.032 55.096 56.100 0.048 0.000 0.874 674 R CB 1.062 31.387 30.300 0.041 0.000 1.256 674 R HN 0.229 nan 8.270 nan 0.000 0.468 675 E N 1.664 121.903 120.200 0.065 0.000 2.398 675 E HA 0.281 4.631 4.350 -0.001 0.000 0.263 675 E C 0.035 176.694 176.600 0.098 0.000 1.046 675 E CA -0.031 56.422 56.400 0.089 0.000 0.908 675 E CB 0.893 30.629 29.700 0.061 0.000 0.963 675 E HN 0.458 nan 8.360 nan 0.000 0.431 676 I N -2.418 118.246 120.570 0.157 0.000 3.095 676 I HA 0.569 4.738 4.170 -0.001 0.000 0.310 676 I C -0.736 175.529 176.117 0.247 0.000 1.196 676 I CA -0.894 60.499 61.300 0.155 0.000 0.985 676 I CB 2.490 40.555 38.000 0.109 0.000 1.250 676 I HN 0.150 nan 8.210 nan 0.000 0.446 677 S N 3.190 119.009 115.700 0.197 0.000 2.541 677 S HA 0.835 5.304 4.470 -0.001 0.000 0.280 677 S C -0.838 173.883 174.600 0.202 0.000 1.112 677 S CA -0.613 57.718 58.200 0.218 0.000 0.925 677 S CB 1.923 65.201 63.200 0.129 0.000 1.067 677 S HN 0.516 nan 8.310 nan 0.000 0.479 678 L N 1.964 123.333 121.223 0.244 0.000 2.393 678 L HA 0.697 5.036 4.340 -0.001 0.000 0.260 678 L C -0.520 176.445 176.870 0.159 0.000 1.002 678 L CA -0.693 54.259 54.840 0.186 0.000 0.818 678 L CB 2.331 44.513 42.059 0.204 0.000 1.369 678 L HN 0.509 nan 8.230 nan 0.000 0.412 679 R N 1.428 121.998 120.500 0.117 0.000 2.522 679 R HA 0.641 4.981 4.340 -0.001 0.000 0.283 679 R C -2.094 174.254 176.300 0.081 0.000 1.074 679 R CA -0.465 55.691 56.100 0.095 0.000 0.925 679 R CB 2.260 32.607 30.300 0.078 0.000 1.205 679 R HN 0.400 nan 8.270 nan 0.000 0.436 680 V N 4.560 124.520 119.914 0.077 0.000 2.435 680 V HA 0.575 4.695 4.120 -0.001 0.000 0.290 680 V C 1.101 177.228 176.094 0.056 0.000 1.030 680 V CA 0.671 63.012 62.300 0.067 0.000 0.881 680 V CB 1.123 32.989 31.823 0.070 0.000 0.983 680 V HN 1.113 nan 8.190 nan 0.000 0.445 681 G N 5.009 113.839 108.800 0.051 0.000 2.596 681 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.295 681 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.295 681 G C 0.398 175.321 174.900 0.038 0.000 1.240 681 G CA 0.562 45.688 45.100 0.044 0.000 0.985 681 G HN 0.690 nan 8.290 nan 0.000 0.555 682 N N 2.236 120.955 118.700 0.032 0.000 2.328 682 N HA 0.313 5.052 4.740 -0.001 0.000 0.247 682 N C 1.018 176.540 175.510 0.021 0.000 1.165 682 N CA 0.795 53.860 53.050 0.024 0.000 0.873 682 N CB 0.644 39.142 38.487 0.019 0.000 1.125 682 N HN 0.810 nan 8.380 nan 0.000 0.513 683 G N 1.596 110.412 108.800 0.028 0.000 2.508 683 G HA2 0.252 4.212 3.960 -0.001 0.000 0.278 683 G HA3 0.252 4.212 3.960 -0.001 0.000 0.278 683 G C -2.377 172.536 174.900 0.022 0.000 1.389 683 G CA -0.638 44.477 45.100 0.026 0.000 1.050 683 G HN -0.011 nan 8.290 nan 0.000 0.522 684 P HA 0.217 nan 4.420 nan 0.000 0.274 684 P C -0.576 176.743 177.300 0.031 0.000 1.237 684 P CA 0.028 63.134 63.100 0.009 0.000 0.793 684 P CB 0.923 32.625 31.700 0.002 0.000 0.977 685 T N 2.323 116.890 114.554 0.022 0.000 2.749 685 T HA 0.462 4.812 4.350 -0.001 0.000 0.287 685 T C 0.011 174.746 174.700 0.058 0.000 0.970 685 T CA -0.374 61.763 62.100 0.063 0.000 0.980 685 T CB 0.111 69.027 68.868 0.081 0.000 0.924 685 T HN 0.174 nan 8.240 nan 0.000 0.456 686 L N 2.665 123.934 121.223 0.077 0.000 2.329 686 L HA 0.797 5.137 4.340 -0.001 0.000 0.279 686 L C 0.184 177.011 176.870 -0.072 0.000 1.014 686 L CA -1.162 53.651 54.840 -0.046 0.000 0.814 686 L CB 1.547 43.576 42.059 -0.051 0.000 1.257 686 L HN 0.637 nan 8.230 nan 0.000 0.424 687 A N 3.017 125.701 122.820 -0.226 0.000 2.337 687 A HA 0.871 5.191 4.320 -0.001 0.000 0.329 687 A C -1.230 176.119 177.584 -0.392 0.000 1.146 687 A CA -0.316 51.644 52.037 -0.129 0.000 0.800 687 A CB 0.872 19.845 19.000 -0.046 0.000 1.220 687 A HN 0.499 nan 8.150 nan 0.000 0.472 688 F N 0.822 120.818 119.950 0.076 0.000 2.546 688 F HA 0.529 5.055 4.527 -0.001 0.000 0.320 688 F C 1.069 176.916 175.800 0.077 0.000 1.076 688 F CA -0.323 57.736 58.000 0.099 0.000 0.928 688 F CB 2.189 41.251 39.000 0.103 0.000 1.189 688 F HN 0.675 nan 8.300 nan 0.000 0.465 689 S N 0.153 116.007 115.700 0.258 0.000 2.608 689 S HA 0.099 4.569 4.470 -0.001 0.000 0.261 689 S C 1.046 175.749 174.600 0.171 0.000 1.314 689 S CA -0.066 58.233 58.200 0.165 0.000 0.992 689 S CB 0.690 63.983 63.200 0.154 0.000 0.935 689 S HN 0.847 nan 8.310 nan 0.000 0.564 690 E N -0.083 120.185 120.200 0.113 0.000 2.401 690 E HA -0.204 4.145 4.350 -0.001 0.000 0.199 690 E C 1.285 177.944 176.600 0.099 0.000 1.023 690 E CA 1.011 57.468 56.400 0.094 0.000 0.859 690 E CB -0.435 29.305 29.700 0.066 0.000 0.780 690 E HN 0.766 nan 8.360 nan 0.000 0.523 691 Q N 0.070 119.942 119.800 0.121 0.000 2.320 691 Q HA 0.203 4.543 4.340 -0.001 0.000 0.201 691 Q C 0.834 176.921 176.000 0.145 0.000 0.910 691 Q CA 0.488 56.361 55.803 0.117 0.000 0.946 691 Q CB 0.889 29.697 28.738 0.117 0.000 1.062 691 Q HN 0.492 nan 8.270 nan 0.000 0.503 692 G N 0.328 109.237 108.800 0.181 0.000 2.136 692 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G C -0.280 174.850 174.900 0.383 0.000 0.989 692 G CA -0.176 45.041 45.100 0.195 0.000 0.682 692 G HN 0.275 nan 8.290 nan 0.000 0.522 693 L N -0.071 121.416 121.223 0.439 0.000 2.329 693 L HA 0.667 5.006 4.340 -0.001 0.000 0.279 693 L C 0.773 177.941 176.870 0.498 0.000 1.014 693 L CA -1.398 53.744 54.840 0.504 0.000 0.814 693 L CB 1.627 43.890 42.059 0.341 0.000 1.257 693 L HN 0.131 nan 8.230 nan 0.000 0.424 694 L N 3.533 125.028 121.223 0.453 0.000 2.559 694 L HA -0.055 4.285 4.340 -0.001 0.000 0.282 694 L C 1.055 177.993 176.870 0.114 0.000 1.232 694 L CA 0.973 55.824 54.840 0.019 0.000 0.885 694 L CB 0.184 42.296 42.059 0.089 0.000 1.131 694 L HN 0.801 nan 8.230 nan 0.000 0.498 695 K N 1.312 121.671 120.400 -0.069 0.000 2.474 695 K HA 0.320 4.639 4.320 -0.001 0.000 0.202 695 K C -0.087 176.452 176.600 -0.101 0.000 1.248 695 K CA 0.320 56.583 56.287 -0.039 0.000 0.946 695 K CB 0.442 32.898 32.500 -0.073 0.000 1.102 695 K HN 0.607 nan 8.250 nan 0.000 0.541 696 S N 0.354 115.973 115.700 -0.134 0.000 2.565 696 S HA 0.601 5.070 4.470 -0.001 0.000 0.269 696 S C -1.112 173.433 174.600 -0.091 0.000 1.153 696 S CA -1.005 57.144 58.200 -0.087 0.000 0.835 696 S CB 1.348 64.546 63.200 -0.003 0.000 1.122 696 S HN 0.177 nan 8.310 nan 0.000 0.462 697 I N 1.302 121.832 120.570 -0.067 0.000 2.498 697 I HA 0.477 4.646 4.170 -0.001 0.000 0.290 697 I C -0.629 175.441 176.117 -0.079 0.000 1.032 697 I CA -0.390 60.870 61.300 -0.067 0.000 1.073 697 I CB 2.168 40.121 38.000 -0.078 0.000 1.251 697 I HN 0.734 nan 8.210 nan 0.000 0.426 698 Q N 6.003 125.741 119.800 -0.103 0.000 2.357 698 Q HA 0.419 4.758 4.340 -0.001 0.000 0.266 698 Q C -0.026 175.899 176.000 -0.125 0.000 1.021 698 Q CA -0.528 55.146 55.803 -0.215 0.000 0.784 698 Q CB 1.750 30.218 28.738 -0.450 0.000 1.243 698 Q HN 0.777 nan 8.270 nan 0.000 0.465 699 L N 1.928 123.089 121.223 -0.104 0.000 2.056 699 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 699 L C 1.189 178.027 176.870 -0.054 0.000 1.078 699 L CA 1.335 56.136 54.840 -0.066 0.000 0.749 699 L CB -0.317 41.706 42.059 -0.058 0.000 0.901 699 L HN 0.669 nan 8.230 nan 0.000 0.433 700 T N -6.093 108.421 114.554 -0.067 0.000 2.865 700 T HA 0.222 4.572 4.350 -0.001 0.000 0.294 700 T C 0.386 175.052 174.700 -0.056 0.000 1.119 700 T CA -0.802 61.270 62.100 -0.047 0.000 1.007 700 T CB 1.835 70.681 68.868 -0.037 0.000 1.225 700 T HN -0.027 nan 8.240 nan 0.000 0.515 701 Q N -0.001 119.781 119.800 -0.030 0.000 2.181 701 Q HA -0.131 4.208 4.340 -0.001 0.000 0.205 701 Q C 1.032 177.016 176.000 -0.027 0.000 0.980 701 Q CA 1.784 57.575 55.803 -0.020 0.000 0.862 701 Q CB -0.088 28.651 28.738 0.002 0.000 0.905 701 Q HN 0.646 nan 8.270 nan 0.000 0.429 702 D N 0.138 120.520 120.400 -0.031 0.000 2.346 702 D HA -0.012 4.628 4.640 -0.001 0.000 0.206 702 D C 0.918 177.190 176.300 -0.047 0.000 1.001 702 D CA 0.350 54.334 54.000 -0.027 0.000 0.871 702 D CB 0.146 40.937 40.800 -0.016 0.000 0.943 702 D HN 0.138 nan 8.370 nan 0.000 0.518 703 S N 1.333 116.987 115.700 -0.077 0.000 2.608 703 S HA 0.306 4.776 4.470 -0.001 0.000 0.261 703 S C -2.521 171.992 174.600 -0.145 0.000 1.314 703 S CA -1.116 57.028 58.200 -0.094 0.000 0.992 703 S CB 0.661 63.807 63.200 -0.090 0.000 0.935 703 S HN -0.200 nan 8.310 nan 0.000 0.564 704 P HA 0.191 nan 4.420 nan 0.000 0.272 704 P C -0.616 176.578 177.300 -0.178 0.000 1.223 704 P CA -0.163 62.890 63.100 -0.079 0.000 0.784 704 P CB 0.169 31.859 31.700 -0.017 0.000 0.923 705 H N 0.783 119.846 119.070 -0.012 0.000 2.911 705 H HA 0.157 4.713 4.556 -0.001 0.000 0.273 705 H C -0.220 175.088 175.328 -0.034 0.000 1.157 705 H CA -0.346 55.686 56.048 -0.026 0.000 1.402 705 H CB 0.053 29.800 29.762 -0.025 0.000 1.463 705 H HN 0.109 nan 8.280 nan 0.000 0.475 706 V N 7.058 126.969 119.914 -0.005 0.000 2.470 706 V HA 0.053 4.172 4.120 -0.001 0.000 0.276 706 V C -1.888 174.160 176.094 -0.076 0.000 1.040 706 V CA -1.495 60.788 62.300 -0.029 0.000 1.008 706 V CB 0.669 32.461 31.823 -0.051 0.000 0.990 706 V HN 0.550 nan 8.190 nan 0.000 0.477 707 P HA 0.172 nan 4.420 nan 0.000 0.266 707 P C -0.791 176.364 177.300 -0.241 0.000 1.215 707 P CA 0.261 63.215 63.100 -0.243 0.000 0.763 707 P CB 0.486 31.875 31.700 -0.518 0.000 0.806 708 V N 4.327 124.135 119.914 -0.177 0.000 2.559 708 V HA 0.219 4.339 4.120 -0.001 0.000 0.289 708 V C -0.624 175.383 176.094 -0.145 0.000 1.036 708 V CA -0.424 61.759 62.300 -0.195 0.000 0.887 708 V CB 1.188 32.884 31.823 -0.212 0.000 1.022 708 V HN 0.610 nan 8.190 nan 0.000 0.442 709 H N 4.781 123.696 119.070 -0.258 0.000 2.505 709 H HA 0.554 5.110 4.556 -0.001 0.000 0.338 709 H C -1.361 173.853 175.328 -0.191 0.000 1.057 709 H CA -0.681 55.261 56.048 -0.178 0.000 1.202 709 H CB 1.270 30.964 29.762 -0.114 0.000 1.466 709 H HN 0.511 nan 8.280 nan 0.000 0.499 710 F N 4.104 123.820 119.950 -0.390 0.000 2.396 710 F HA 0.267 4.794 4.527 -0.001 0.000 0.343 710 F C 0.347 175.658 175.800 -0.815 0.000 1.104 710 F CA -0.064 57.636 58.000 -0.501 0.000 1.161 710 F CB 1.079 39.912 39.000 -0.278 0.000 1.146 710 F HN 0.374 nan 8.300 nan 0.000 0.522 711 K N 3.716 123.848 120.400 -0.446 0.000 2.523 711 K HA 0.463 4.783 4.320 -0.001 0.000 0.257 711 K C -1.944 174.380 176.600 -0.460 0.000 0.932 711 K CA -0.624 55.428 56.287 -0.390 0.000 0.812 711 K CB 1.456 33.782 32.500 -0.289 0.000 1.326 711 K HN 0.428 nan 8.250 nan 0.000 0.433 712 F N 3.869 123.736 119.950 -0.139 0.000 2.436 712 F HA 0.495 5.022 4.527 -0.001 0.000 0.340 712 F C -0.375 175.378 175.800 -0.078 0.000 1.113 712 F CA -0.584 57.351 58.000 -0.109 0.000 1.022 712 F CB 1.204 40.127 39.000 -0.129 0.000 1.128 712 F HN 0.245 nan 8.300 nan 0.000 0.466 713 L N 2.689 123.946 121.223 0.058 0.000 2.277 713 L HA 0.639 4.979 4.340 -0.001 0.000 0.254 713 L C -1.145 175.714 176.870 -0.018 0.000 1.044 713 L CA -1.010 53.817 54.840 -0.022 0.000 0.842 713 L CB 2.277 44.259 42.059 -0.128 0.000 1.422 713 L HN 0.493 nan 8.230 nan 0.000 0.422 714 K N -0.400 119.951 120.400 -0.083 0.000 2.427 714 K HA 0.654 4.973 4.320 -0.001 0.000 0.252 714 K C -1.792 174.741 176.600 -0.112 0.000 0.931 714 K CA -0.796 55.475 56.287 -0.026 0.000 0.793 714 K CB 1.733 34.250 32.500 0.030 0.000 1.211 714 K HN 0.279 nan 8.250 nan 0.000 0.426 715 Y N 0.542 120.905 120.300 0.105 0.000 2.419 715 Y HA 0.524 5.074 4.550 -0.001 0.000 0.328 715 Y C 0.999 176.957 175.900 0.097 0.000 1.162 715 Y CA -0.158 58.015 58.100 0.121 0.000 1.174 715 Y CB 2.219 40.821 38.460 0.236 0.000 1.228 715 Y HN 0.913 nan 8.280 nan 0.000 0.473 716 G N 0.480 109.426 108.800 0.243 0.000 2.971 716 G HA2 0.631 4.590 3.960 -0.001 0.000 0.235 716 G HA3 0.631 4.590 3.960 -0.001 0.000 0.235 716 G C -1.459 173.515 174.900 0.123 0.000 1.351 716 G CA -0.719 44.467 45.100 0.143 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.172 119.781 119.914 0.065 0.000 2.864 717 V HA 0.469 4.588 4.120 -0.001 0.000 0.314 717 V C -0.063 176.028 176.094 -0.005 0.000 1.073 717 V CA -0.871 61.449 62.300 0.034 0.000 0.956 717 V CB 1.960 33.803 31.823 0.034 0.000 1.023 717 V HN 0.675 nan 8.190 nan 0.000 0.435 718 R N 1.334 121.820 120.500 -0.023 0.000 2.491 718 R HA 0.204 4.543 4.340 -0.001 0.000 0.283 718 R C 1.182 177.420 176.300 -0.102 0.000 1.072 718 R CA 0.407 56.475 56.100 -0.053 0.000 1.048 718 R CB 0.667 30.948 30.300 -0.032 0.000 0.983 718 R HN 0.912 nan 8.270 nan 0.000 0.450 719 S N 1.436 117.008 115.700 -0.213 0.000 2.528 719 S HA 0.026 4.496 4.470 -0.001 0.000 0.219 719 S C 0.386 174.650 174.600 -0.560 0.000 0.985 719 S CA 0.157 58.132 58.200 -0.375 0.000 0.914 719 S CB 0.093 63.017 63.200 -0.461 0.000 0.776 719 S HN 0.549 nan 8.310 nan 0.000 0.526 720 H N 0.270 119.341 119.070 0.003 0.000 2.768 720 H HA 0.640 5.196 4.556 -0.001 0.000 0.371 720 H C 0.875 176.201 175.328 -0.003 0.000 1.151 720 H CA -0.120 55.928 56.048 -0.001 0.000 1.165 720 H CB 1.186 30.948 29.762 -0.001 0.000 1.722 720 H HN 0.409 nan 8.280 nan 0.000 0.543 721 G N 1.851 110.720 108.800 0.116 0.000 2.632 721 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.224 721 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.224 721 G C -0.941 173.973 174.900 0.024 0.000 1.341 721 G CA -0.567 44.567 45.100 0.056 0.000 0.880 721 G HN 0.594 nan 8.290 nan 0.000 0.566 722 D N 1.105 121.511 120.400 0.010 0.000 2.389 722 D HA 0.522 5.161 4.640 -0.001 0.000 0.247 722 D C 0.964 177.259 176.300 -0.009 0.000 1.128 722 D CA 0.304 54.301 54.000 -0.004 0.000 0.884 722 D CB 0.775 41.568 40.800 -0.012 0.000 1.194 722 D HN 0.467 nan 8.370 nan 0.000 0.441 723 R N 0.613 121.108 120.500 -0.008 0.000 2.474 723 R HA 0.361 4.700 4.340 -0.001 0.000 0.295 723 R C 0.087 176.388 176.300 0.001 0.000 0.980 723 R CA -0.555 55.543 56.100 -0.003 0.000 0.934 723 R CB 0.964 31.266 30.300 0.003 0.000 1.101 723 R HN 0.205 nan 8.270 nan 0.000 0.469 724 S N 0.426 116.137 115.700 0.019 0.000 2.568 724 S HA 0.480 4.950 4.470 -0.001 0.000 0.282 724 S C 0.452 175.076 174.600 0.041 0.000 1.338 724 S CA 0.318 58.545 58.200 0.044 0.000 1.045 724 S CB 0.924 64.183 63.200 0.098 0.000 0.873 724 S HN 0.747 nan 8.310 nan 0.000 0.516 725 G N -0.088 108.737 108.800 0.041 0.000 2.815 725 G HA2 0.590 4.550 3.960 -0.001 0.000 0.305 725 G HA3 0.590 4.550 3.960 -0.001 0.000 0.305 725 G C 0.566 175.490 174.900 0.041 0.000 1.277 725 G CA -0.130 44.999 45.100 0.049 0.000 0.795 725 G HN 0.706 nan 8.290 nan 0.000 0.528 726 A N -1.235 121.598 122.820 0.020 0.000 1.978 726 A HA 0.047 4.366 4.320 -0.001 0.000 0.220 726 A C 1.940 179.442 177.584 -0.137 0.000 1.170 726 A CA 2.109 54.097 52.037 -0.081 0.000 0.636 726 A CB -0.661 18.222 19.000 -0.195 0.000 0.810 726 A HN 0.597 nan 8.150 nan 0.000 0.448 727 Y N -0.767 119.475 120.300 -0.097 0.000 2.266 727 Y HA 0.331 4.880 4.550 -0.001 0.000 0.294 727 Y C 0.906 176.707 175.900 -0.166 0.000 1.127 727 Y CA 0.080 58.054 58.100 -0.210 0.000 1.140 727 Y CB -0.200 37.781 38.460 -0.799 0.000 1.071 727 Y HN 0.029 nan 8.280 nan 0.000 0.525 728 L N 0.461 121.654 121.223 -0.051 0.000 2.334 728 L HA 0.222 4.562 4.340 -0.001 0.000 0.277 728 L C -0.928 176.001 176.870 0.098 0.000 1.075 728 L CA -0.362 54.453 54.840 -0.041 0.000 0.804 728 L CB 1.153 43.132 42.059 -0.133 0.000 1.174 728 L HN 0.104 nan 8.230 nan 0.000 0.438 729 F N 4.816 124.716 119.950 -0.083 0.000 2.361 729 F HA 0.474 5.001 4.527 -0.001 0.000 0.364 729 F C -0.564 175.166 175.800 -0.117 0.000 1.117 729 F CA -0.758 57.154 58.000 -0.147 0.000 1.071 729 F CB 0.692 39.538 39.000 -0.256 0.000 1.188 729 F HN 0.322 nan 8.300 nan 0.000 0.464 730 L N 8.972 130.110 121.223 -0.143 0.000 2.556 730 L HA 0.323 4.663 4.340 -0.001 0.000 0.243 730 L C -2.304 174.404 176.870 -0.270 0.000 1.331 730 L CA -1.877 52.829 54.840 -0.225 0.000 0.927 730 L CB 0.848 42.862 42.059 -0.075 0.000 1.219 730 L HN 0.421 nan 8.230 nan 0.000 0.490 731 P HA 0.016 nan 4.420 nan 0.000 0.269 731 P C -0.490 176.736 177.300 -0.123 0.000 1.215 731 P CA -0.224 62.689 63.100 -0.311 0.000 0.780 731 P CB 0.582 31.957 31.700 -0.542 0.000 0.898 732 N N 1.231 119.929 118.700 -0.003 0.000 3.250 732 N HA 0.270 5.010 4.740 -0.001 0.000 0.307 732 N C 0.693 176.222 175.510 0.031 0.000 1.355 732 N CA -0.124 52.929 53.050 0.005 0.000 1.192 732 N CB -0.807 37.687 38.487 0.011 0.000 1.478 732 N HN 0.748 nan 8.380 nan 0.000 0.543 733 G N 0.868 109.683 108.800 0.024 0.000 2.655 733 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.680 733 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.680 733 G C -3.038 171.937 174.900 0.125 0.000 1.302 733 G CA -1.101 44.027 45.100 0.047 0.000 0.872 733 G HN 0.381 nan 8.290 nan 0.000 0.540 734 P HA 0.460 nan 4.420 nan 0.000 0.268 734 P C 0.514 177.781 177.300 -0.055 0.000 1.208 734 P CA 0.657 63.821 63.100 0.106 0.000 0.777 734 P CB 0.424 32.153 31.700 0.049 0.000 0.875 735 A N 2.152 124.753 122.820 -0.366 0.000 2.425 735 A HA 0.360 4.679 4.320 -0.001 0.000 0.242 735 A C 0.200 177.631 177.584 -0.255 0.000 1.077 735 A CA 0.323 51.983 52.037 -0.629 0.000 0.781 735 A CB -0.270 18.070 19.000 -1.099 0.000 1.020 735 A HN 0.481 nan 8.150 nan 0.000 0.494 736 S N 2.457 118.045 115.700 -0.186 0.000 2.509 736 S HA 0.574 5.043 4.470 -0.001 0.000 0.297 736 S C -2.683 171.877 174.600 -0.067 0.000 1.118 736 S CA -1.014 57.134 58.200 -0.087 0.000 1.074 736 S CB 1.288 64.460 63.200 -0.046 0.000 1.038 736 S HN 0.567 nan 8.310 nan 0.000 0.498 737 P HA 0.101 nan 4.420 nan 0.000 0.268 737 P C -0.723 176.582 177.300 0.009 0.000 1.205 737 P CA -0.311 62.785 63.100 -0.008 0.000 0.771 737 P CB 0.307 32.013 31.700 0.010 0.000 0.858 738 V N 4.063 123.996 119.914 0.031 0.000 2.572 738 V HA -0.007 4.112 4.120 -0.001 0.000 0.291 738 V C 0.982 177.091 176.094 0.025 0.000 1.039 738 V CA 0.164 62.483 62.300 0.031 0.000 1.055 738 V CB -0.087 31.765 31.823 0.047 0.000 0.969 738 V HN 0.478 nan 8.190 nan 0.000 0.482 739 E N 4.759 124.968 120.200 0.014 0.000 2.265 739 E HA 0.139 4.489 4.350 -0.001 0.000 0.272 739 E C 0.630 177.234 176.600 0.007 0.000 1.067 739 E CA 0.067 56.475 56.400 0.014 0.000 0.900 739 E CB 1.118 30.824 29.700 0.010 0.000 1.017 739 E HN 0.536 nan 8.360 nan 0.000 0.431 740 L N 1.979 123.211 121.223 0.014 0.000 2.446 740 L HA 0.086 4.425 4.340 -0.001 0.000 0.219 740 L C 1.410 178.282 176.870 0.002 0.000 1.116 740 L CA 0.526 55.369 54.840 0.005 0.000 0.844 740 L CB -0.477 41.597 42.059 0.024 0.000 0.970 740 L HN 0.751 nan 8.230 nan 0.000 0.457 741 G N 0.991 109.796 108.800 0.009 0.000 2.566 741 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.280 741 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.280 741 G C -0.075 174.835 174.900 0.016 0.000 1.225 741 G CA -0.146 44.959 45.100 0.009 0.000 0.966 741 G HN 0.410 nan 8.290 nan 0.000 0.560 742 Q N 1.530 121.340 119.800 0.017 0.000 2.607 742 Q HA 0.403 4.743 4.340 -0.001 0.000 0.247 742 Q C -2.225 173.793 176.000 0.030 0.000 1.033 742 Q CA -1.467 54.352 55.803 0.026 0.000 0.769 742 Q CB 2.015 30.767 28.738 0.024 0.000 1.169 742 Q HN 0.618 nan 8.270 nan 0.000 0.508 743 P HA 0.093 nan 4.420 nan 0.000 0.274 743 P C -0.301 177.045 177.300 0.076 0.000 1.237 743 P CA -0.329 62.795 63.100 0.041 0.000 0.793 743 P CB 1.131 32.840 31.700 0.014 0.000 0.977 744 V N 2.231 122.223 119.914 0.130 0.000 2.530 744 V HA 0.128 4.248 4.120 -0.001 0.000 0.282 744 V C 0.542 176.773 176.094 0.229 0.000 1.048 744 V CA -0.255 62.149 62.300 0.173 0.000 0.997 744 V CB 1.218 33.178 31.823 0.229 0.000 0.987 744 V HN 0.268 nan 8.190 nan 0.000 0.477 745 V N 6.341 126.340 119.914 0.141 0.000 2.495 745 V HA 0.484 4.603 4.120 -0.001 0.000 0.298 745 V C -0.408 175.707 176.094 0.035 0.000 1.031 745 V CA -0.633 61.732 62.300 0.108 0.000 0.871 745 V CB 1.688 33.536 31.823 0.042 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.432 746 L N 6.519 127.758 121.223 0.026 0.000 2.313 746 L HA 0.747 5.087 4.340 -0.001 0.000 0.283 746 L C -0.662 176.101 176.870 -0.178 0.000 1.013 746 L CA -0.019 54.715 54.840 -0.178 0.000 0.816 746 L CB 1.824 43.674 42.059 -0.348 0.000 1.236 746 L HN 0.434 nan 8.230 nan 0.000 0.419 747 V N 4.123 123.922 119.914 -0.191 0.000 2.357 747 V HA 0.541 4.661 4.120 -0.001 0.000 0.284 747 V C -0.039 175.991 176.094 -0.106 0.000 1.018 747 V CA -0.387 61.823 62.300 -0.150 0.000 0.841 747 V CB 1.554 33.304 31.823 -0.121 0.000 0.991 747 V HN 0.854 nan 8.190 nan 0.000 0.437 748 T N 5.370 119.891 114.554 -0.056 0.000 2.779 748 T HA 0.446 4.796 4.350 -0.001 0.000 0.280 748 T C -0.398 174.333 174.700 0.052 0.000 0.987 748 T CA -0.559 61.562 62.100 0.035 0.000 0.966 748 T CB 1.176 70.104 68.868 0.100 0.000 0.933 748 T HN 0.647 nan 8.240 nan 0.000 0.442 749 K N 2.343 122.790 120.400 0.078 0.000 2.450 749 K HA 0.683 5.002 4.320 -0.001 0.000 0.257 749 K C -0.375 176.286 176.600 0.101 0.000 0.953 749 K CA -0.576 55.757 56.287 0.077 0.000 0.844 749 K CB 1.032 33.571 32.500 0.064 0.000 1.103 749 K HN 0.794 nan 8.250 nan 0.000 0.429 750 G N 2.299 111.156 108.800 0.094 0.000 2.680 750 G HA2 0.222 4.181 3.960 -0.001 0.000 0.290 750 G HA3 0.222 4.181 3.960 -0.001 0.000 0.290 750 G C -0.251 174.695 174.900 0.076 0.000 1.355 750 G CA -0.646 44.511 45.100 0.095 0.000 0.903 750 G HN 0.608 nan 8.290 nan 0.000 0.474 751 K N -0.498 119.942 120.400 0.066 0.000 2.097 751 K HA 0.090 4.410 4.320 -0.001 0.000 0.205 751 K C 1.981 178.617 176.600 0.060 0.000 1.050 751 K CA 0.930 57.252 56.287 0.059 0.000 0.938 751 K CB -0.053 32.478 32.500 0.051 0.000 0.718 751 K HN 0.311 nan 8.250 nan 0.000 0.442 752 L N -0.334 120.927 121.223 0.063 0.000 2.357 752 L HA 0.144 4.483 4.340 -0.001 0.000 0.211 752 L C 0.686 177.594 176.870 0.063 0.000 1.075 752 L CA 0.196 55.074 54.840 0.063 0.000 0.830 752 L CB 0.359 42.458 42.059 0.068 0.000 0.996 752 L HN 0.153 nan 8.230 nan 0.000 0.467 753 E N -0.335 119.907 120.200 0.070 0.000 2.321 753 E HA 0.393 4.743 4.350 -0.001 0.000 0.281 753 E C -1.497 175.150 176.600 0.079 0.000 0.910 753 E CA -0.223 56.220 56.400 0.071 0.000 0.770 753 E CB 2.146 31.887 29.700 0.069 0.000 1.225 753 E HN -0.128 nan 8.360 nan 0.000 0.417 754 S N 1.427 117.172 115.700 0.074 0.000 2.634 754 S HA 0.766 5.236 4.470 -0.001 0.000 0.296 754 S C -1.335 173.294 174.600 0.049 0.000 1.104 754 S CA -0.709 57.531 58.200 0.066 0.000 0.920 754 S CB 1.921 65.161 63.200 0.067 0.000 1.111 754 S HN 0.449 nan 8.310 nan 0.000 0.493 755 S N 0.506 116.211 115.700 0.009 0.000 2.547 755 S HA 0.695 5.165 4.470 -0.001 0.000 0.270 755 S C -2.033 172.481 174.600 -0.143 0.000 1.150 755 S CA -0.494 57.687 58.200 -0.032 0.000 0.850 755 S CB 1.171 64.379 63.200 0.012 0.000 1.118 755 S HN 0.464 nan 8.310 nan 0.000 0.461 756 V N 3.100 122.870 119.914 -0.241 0.000 2.483 756 V HA 0.692 4.811 4.120 -0.001 0.000 0.297 756 V C -0.513 175.454 176.094 -0.212 0.000 1.027 756 V CA -0.492 61.593 62.300 -0.359 0.000 0.855 756 V CB 1.632 32.923 31.823 -0.886 0.000 0.995 756 V HN 0.873 nan 8.190 nan 0.000 0.424 757 S N 3.162 118.796 115.700 -0.110 0.000 2.526 757 S HA 0.796 5.266 4.470 -0.001 0.000 0.293 757 S C -0.887 173.664 174.600 -0.082 0.000 1.092 757 S CA -0.626 57.521 58.200 -0.088 0.000 0.980 757 S CB 2.184 65.437 63.200 0.089 0.000 1.048 757 S HN 0.666 nan 8.310 nan 0.000 0.483 758 V N 1.982 121.728 119.914 -0.280 0.000 2.760 758 V HA 0.811 4.930 4.120 -0.001 0.000 0.309 758 V C -0.056 175.685 176.094 -0.589 0.000 1.077 758 V CA -0.427 61.715 62.300 -0.262 0.000 0.910 758 V CB 1.805 33.601 31.823 -0.045 0.000 1.008 758 V HN 0.997 nan 8.190 nan 0.000 0.424 759 G N 6.993 115.462 108.800 -0.552 0.000 2.663 759 G HA2 0.526 4.486 3.960 -0.001 0.000 0.320 759 G HA3 0.526 4.486 3.960 -0.001 0.000 0.320 759 G C -0.533 174.224 174.900 -0.239 0.000 0.937 759 G CA -0.312 44.495 45.100 -0.487 0.000 1.332 759 G HN 0.696 nan 8.290 nan 0.000 0.461 760 L N 2.610 123.660 121.223 -0.288 0.000 2.387 760 L HA 0.407 4.747 4.340 -0.001 0.000 0.266 760 L C -2.034 174.707 176.870 -0.215 0.000 1.059 760 L CA -2.371 52.328 54.840 -0.235 0.000 0.801 760 L CB 1.821 43.675 42.059 -0.341 0.000 1.223 760 L HN 0.192 nan 8.230 nan 0.000 0.456 761 P HA 0.072 nan 4.420 nan 0.000 0.267 761 P C 0.042 177.258 177.300 -0.140 0.000 1.209 761 P CA 0.381 63.411 63.100 -0.116 0.000 0.763 761 P CB 0.910 32.569 31.700 -0.069 0.000 0.816 762 S N -0.277 115.360 115.700 -0.105 0.000 2.981 762 S HA -0.117 4.352 4.470 -0.001 0.000 0.274 762 S C 0.208 174.712 174.600 -0.160 0.000 1.297 762 S CA 1.241 59.384 58.200 -0.094 0.000 1.266 762 S CB -1.630 61.535 63.200 -0.059 0.000 1.542 762 S HN 0.407 nan 8.310 nan 0.000 0.674 763 V N 1.199 120.954 119.914 -0.265 0.000 2.655 763 V HA 0.426 4.546 4.120 -0.001 0.000 0.301 763 V C -0.233 175.635 176.094 -0.377 0.000 1.082 763 V CA -0.809 61.288 62.300 -0.339 0.000 0.899 763 V CB 2.115 33.566 31.823 -0.619 0.000 1.014 763 V HN 0.099 nan 8.190 nan 0.000 0.429 764 V N 4.146 123.854 119.914 -0.344 0.000 2.368 764 V HA 0.316 4.435 4.120 -0.001 0.000 0.266 764 V C -0.135 175.756 176.094 -0.337 0.000 1.045 764 V CA -0.326 61.669 62.300 -0.508 0.000 0.899 764 V CB 0.736 32.152 31.823 -0.678 0.000 1.006 764 V HN 0.926 nan 8.190 nan 0.000 0.470 765 H N 4.520 123.338 119.070 -0.420 0.000 2.488 765 H HA 0.593 5.149 4.556 -0.001 0.000 0.322 765 H C -0.377 174.842 175.328 -0.182 0.000 1.078 765 H CA -0.194 55.711 56.048 -0.239 0.000 1.260 765 H CB 1.181 30.826 29.762 -0.195 0.000 1.425 765 H HN 0.690 nan 8.280 nan 0.000 0.471 766 Q N 3.884 123.392 119.800 -0.486 0.000 2.323 766 Q HA 0.389 4.729 4.340 -0.001 0.000 0.271 766 Q C -1.373 174.434 176.000 -0.321 0.000 1.048 766 Q CA -0.897 54.708 55.803 -0.331 0.000 0.792 766 Q CB 1.615 30.264 28.738 -0.150 0.000 1.280 766 Q HN 0.743 nan 8.270 nan 0.000 0.441 767 T N 4.959 119.403 114.554 -0.183 0.000 2.772 767 T HA 0.524 4.873 4.350 -0.001 0.000 0.288 767 T C -0.363 174.368 174.700 0.051 0.000 0.994 767 T CA -0.320 61.789 62.100 0.015 0.000 0.951 767 T CB 0.257 69.294 68.868 0.282 0.000 0.933 767 T HN 0.467 nan 8.240 nan 0.000 0.447 768 I N 3.776 124.389 120.570 0.071 0.000 2.404 768 I HA 0.494 4.664 4.170 -0.001 0.000 0.293 768 I C -0.238 175.936 176.117 0.095 0.000 0.992 768 I CA -0.779 60.563 61.300 0.070 0.000 1.149 768 I CB 1.694 39.726 38.000 0.054 0.000 1.315 768 I HN 0.393 nan 8.210 nan 0.000 0.446 769 M N 5.940 125.596 119.600 0.093 0.000 2.253 769 M HA 0.481 4.961 4.480 -0.001 0.000 0.314 769 M C 0.183 176.528 176.300 0.075 0.000 1.019 769 M CA -0.286 55.072 55.300 0.096 0.000 0.932 769 M CB 2.183 34.854 32.600 0.119 0.000 1.606 769 M HN 0.456 nan 8.290 nan 0.000 0.430 770 R N 1.098 121.637 120.500 0.065 0.000 2.572 770 R HA 0.371 4.711 4.340 -0.001 0.000 0.370 770 R C 0.797 177.128 176.300 0.051 0.000 1.005 770 R CA 0.253 56.385 56.100 0.054 0.000 1.146 770 R CB 1.125 31.450 30.300 0.042 0.000 1.390 770 R HN 1.139 nan 8.270 nan 0.000 0.553 771 G N -0.426 108.407 108.800 0.054 0.000 2.284 771 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.201 771 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.201 771 G C 0.301 175.225 174.900 0.040 0.000 0.998 771 G CA -0.394 44.734 45.100 0.047 0.000 0.651 771 G HN 0.514 nan 8.290 nan 0.000 0.489 772 G N -0.029 108.795 108.800 0.041 0.000 3.252 772 G HA2 0.793 4.753 3.960 -0.001 0.000 0.181 772 G HA3 0.793 4.753 3.960 -0.001 0.000 0.181 772 G C 0.439 175.363 174.900 0.039 0.000 1.187 772 G CA 0.463 45.583 45.100 0.033 0.000 0.886 772 G HN 1.525 nan 8.290 nan 0.000 0.615 773 A N 1.410 124.251 122.820 0.035 0.000 2.540 773 A HA 0.509 4.828 4.320 -0.001 0.000 0.239 773 A C -1.686 175.939 177.584 0.068 0.000 1.061 773 A CA -0.409 51.654 52.037 0.044 0.000 0.758 773 A CB -0.451 18.572 19.000 0.038 0.000 0.991 773 A HN 0.405 nan 8.150 nan 0.000 0.502 774 P HA 0.130 nan 4.420 nan 0.000 0.272 774 P C -0.502 176.873 177.300 0.125 0.000 1.230 774 P CA -0.188 62.981 63.100 0.115 0.000 0.788 774 P CB 0.675 32.467 31.700 0.153 0.000 0.949 775 E N 1.366 121.636 120.200 0.118 0.000 2.175 775 E HA 0.374 4.724 4.350 -0.001 0.000 0.278 775 E C -0.751 175.930 176.600 0.134 0.000 0.969 775 E CA -0.735 55.739 56.400 0.123 0.000 0.796 775 E CB 0.571 30.321 29.700 0.083 0.000 1.104 775 E HN 0.213 nan 8.360 nan 0.000 0.395 776 I N 4.128 124.812 120.570 0.189 0.000 2.412 776 I HA 0.414 4.583 4.170 -0.001 0.000 0.296 776 I C 0.026 176.268 176.117 0.208 0.000 0.987 776 I CA -0.618 60.773 61.300 0.151 0.000 1.180 776 I CB 1.265 39.365 38.000 0.167 0.000 1.340 776 I HN 0.571 nan 8.210 nan 0.000 0.455 777 R N 4.570 125.125 120.500 0.091 0.000 2.561 777 R HA 0.492 4.832 4.340 -0.001 0.000 0.297 777 R C -0.975 175.384 176.300 0.099 0.000 0.969 777 R CA -0.847 55.321 56.100 0.114 0.000 0.879 777 R CB 2.048 32.373 30.300 0.042 0.000 1.178 777 R HN 0.469 nan 8.270 nan 0.000 0.445 778 N N 2.605 121.422 118.700 0.195 0.000 2.407 778 N HA 0.205 4.945 4.740 -0.001 0.000 0.277 778 N C -1.274 174.259 175.510 0.038 0.000 0.995 778 N CA -0.707 52.432 53.050 0.147 0.000 0.903 778 N CB 1.938 40.614 38.487 0.315 0.000 1.218 778 N HN 0.323 nan 8.380 nan 0.000 0.487 779 L N 3.684 124.872 121.223 -0.058 0.000 2.282 779 L HA 0.371 4.711 4.340 -0.001 0.000 0.287 779 L C -0.998 175.814 176.870 -0.096 0.000 1.075 779 L CA -0.488 54.301 54.840 -0.085 0.000 0.839 779 L CB 0.456 42.459 42.059 -0.094 0.000 1.219 779 L HN 0.214 nan 8.230 nan 0.000 0.434 780 V N 4.498 124.357 119.914 -0.091 0.000 2.364 780 V HA 0.374 4.494 4.120 -0.001 0.000 0.272 780 V C -0.407 175.659 176.094 -0.046 0.000 1.036 780 V CA -0.484 61.779 62.300 -0.063 0.000 0.880 780 V CB 1.261 33.072 31.823 -0.021 0.000 0.991 780 V HN 0.682 nan 8.190 nan 0.000 0.460 781 D N 4.033 124.411 120.400 -0.037 0.000 2.375 781 D HA 0.253 4.893 4.640 -0.001 0.000 0.259 781 D C 0.571 176.870 176.300 -0.001 0.000 1.235 781 D CA -0.418 53.572 54.000 -0.015 0.000 0.924 781 D CB 1.282 42.074 40.800 -0.015 0.000 1.143 781 D HN 0.467 nan 8.370 nan 0.000 0.529 782 I N 2.263 122.843 120.570 0.016 0.000 2.916 782 I HA 0.034 4.203 4.170 -0.001 0.000 0.267 782 I C 1.364 177.496 176.117 0.024 0.000 1.263 782 I CA 1.190 62.506 61.300 0.028 0.000 1.471 782 I CB -0.228 37.802 38.000 0.050 0.000 1.089 782 I HN 0.616 nan 8.210 nan 0.000 0.468 783 G N 0.767 109.577 108.800 0.017 0.000 2.583 783 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.292 783 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.292 783 G C 0.552 175.460 174.900 0.014 0.000 1.203 783 G CA 0.453 45.560 45.100 0.011 0.000 0.987 783 G HN 0.689 nan 8.290 nan 0.000 0.554 784 S N -0.099 115.608 115.700 0.012 0.000 2.574 784 S HA 0.536 5.005 4.470 -0.001 0.000 0.242 784 S C 0.810 175.422 174.600 0.021 0.000 0.982 784 S CA 0.073 58.282 58.200 0.014 0.000 0.977 784 S CB 0.071 63.275 63.200 0.006 0.000 0.814 784 S HN 0.702 nan 8.310 nan 0.000 0.464 785 L N 3.039 124.278 121.223 0.027 0.000 2.505 785 L HA 0.257 4.597 4.340 -0.001 0.000 0.279 785 L C -0.325 176.568 176.870 0.038 0.000 1.211 785 L CA -0.266 54.593 54.840 0.032 0.000 1.059 785 L CB -0.684 41.396 42.059 0.036 0.000 1.340 785 L HN 0.144 nan 8.230 nan 0.000 0.447 786 D N 2.792 123.211 120.400 0.033 0.000 2.382 786 D HA 0.022 4.661 4.640 -0.001 0.000 0.240 786 D C 0.686 177.011 176.300 0.041 0.000 1.146 786 D CA 0.179 54.200 54.000 0.035 0.000 0.897 786 D CB 0.359 41.175 40.800 0.027 0.000 1.197 786 D HN 0.321 nan 8.370 nan 0.000 0.432 787 N N 0.419 119.147 118.700 0.047 0.000 2.725 787 N HA -0.173 4.566 4.740 -0.001 0.000 0.251 787 N C -0.928 174.626 175.510 0.073 0.000 1.031 787 N CA 0.842 53.925 53.050 0.055 0.000 0.720 787 N CB -1.228 37.283 38.487 0.040 0.000 0.930 787 N HN 0.291 nan 8.380 nan 0.000 0.543 788 T N 0.482 115.086 114.554 0.082 0.000 2.893 788 T HA 0.417 4.766 4.350 -0.001 0.000 0.293 788 T C -0.280 174.493 174.700 0.120 0.000 1.027 788 T CA -0.712 61.450 62.100 0.102 0.000 0.988 788 T CB 2.358 71.273 68.868 0.079 0.000 1.043 788 T HN 0.027 nan 8.240 nan 0.000 0.461 789 E N 2.428 122.729 120.200 0.169 0.000 2.191 789 E HA 0.444 4.794 4.350 -0.001 0.000 0.263 789 E C -0.774 175.950 176.600 0.207 0.000 0.881 789 E CA -0.612 55.888 56.400 0.166 0.000 0.757 789 E CB 2.271 32.051 29.700 0.134 0.000 1.147 789 E HN 0.484 nan 8.360 nan 0.000 0.414 790 I N 2.805 123.481 120.570 0.177 0.000 2.331 790 I HA 0.233 4.403 4.170 -0.001 0.000 0.292 790 I C -0.232 176.024 176.117 0.233 0.000 0.998 790 I CA -0.806 60.609 61.300 0.193 0.000 1.267 790 I CB 1.442 39.546 38.000 0.174 0.000 1.386 790 I HN 0.201 nan 8.210 nan 0.000 0.476 791 V N 8.072 128.120 119.914 0.225 0.000 2.628 791 V HA 0.498 4.618 4.120 -0.001 0.000 0.306 791 V C -0.450 175.671 176.094 0.045 0.000 1.045 791 V CA -0.718 61.698 62.300 0.193 0.000 0.905 791 V CB 2.004 34.003 31.823 0.293 0.000 0.997 791 V HN 0.751 nan 8.190 nan 0.000 0.436 792 M N 7.281 126.831 119.600 -0.083 0.000 2.129 792 M HA 0.570 5.050 4.480 -0.001 0.000 0.348 792 M C -0.579 175.569 176.300 -0.252 0.000 1.116 792 M CA -0.431 54.590 55.300 -0.465 0.000 1.022 792 M CB 0.620 32.917 32.600 -0.505 0.000 1.599 792 M HN 0.753 nan 8.290 nan 0.000 0.449 793 R N 4.647 124.985 120.500 -0.270 0.000 2.637 793 R HA 0.703 5.043 4.340 -0.001 0.000 0.291 793 R C -1.965 174.239 176.300 -0.159 0.000 0.963 793 R CA -0.633 55.374 56.100 -0.154 0.000 0.901 793 R CB 1.529 31.751 30.300 -0.129 0.000 1.160 793 R HN 0.808 nan 8.270 nan 0.000 0.457 794 L N 3.235 124.347 121.223 -0.185 0.000 2.313 794 L HA 0.424 4.763 4.340 -0.001 0.000 0.283 794 L C -0.517 176.236 176.870 -0.195 0.000 1.013 794 L CA -0.410 54.248 54.840 -0.304 0.000 0.816 794 L CB 1.935 43.769 42.059 -0.376 0.000 1.236 794 L HN 0.605 nan 8.230 nan 0.000 0.419 795 E N 2.163 122.262 120.200 -0.169 0.000 2.158 795 E HA 0.501 4.850 4.350 -0.001 0.000 0.271 795 E C -0.573 175.960 176.600 -0.111 0.000 0.911 795 E CA -0.463 55.886 56.400 -0.085 0.000 0.767 795 E CB 2.100 31.794 29.700 -0.009 0.000 1.120 795 E HN 0.623 nan 8.360 nan 0.000 0.405 796 T N -1.418 113.079 114.554 -0.096 0.000 2.804 796 T HA 0.292 4.642 4.350 -0.001 0.000 0.290 796 T C 0.460 175.145 174.700 -0.025 0.000 1.099 796 T CA -0.616 61.402 62.100 -0.137 0.000 1.011 796 T CB 1.038 69.846 68.868 -0.099 0.000 1.291 796 T HN 0.560 nan 8.240 nan 0.000 0.523 797 H N -0.813 118.247 119.070 -0.016 0.000 2.535 797 H HA 0.355 4.910 4.556 -0.001 0.000 0.273 797 H C 0.466 175.793 175.328 -0.001 0.000 0.983 797 H CA -0.277 55.766 56.048 -0.008 0.000 1.238 797 H CB 0.059 29.816 29.762 -0.008 0.000 1.412 797 H HN 0.337 nan 8.280 nan 0.000 0.562 798 I N 2.114 122.753 120.570 0.115 0.000 2.752 798 I HA -0.157 4.013 4.170 -0.001 0.000 0.289 798 I C 0.484 176.646 176.117 0.075 0.000 1.197 798 I CA 0.342 61.689 61.300 0.078 0.000 1.432 798 I CB 0.334 38.367 38.000 0.055 0.000 1.359 798 I HN 0.173 nan 8.210 nan 0.000 0.571 799 D N 4.768 125.207 120.400 0.065 0.000 2.713 799 D HA 0.030 4.669 4.640 -0.001 0.000 0.229 799 D C 1.279 177.619 176.300 0.067 0.000 1.136 799 D CA -0.012 54.022 54.000 0.056 0.000 1.010 799 D CB 0.308 41.132 40.800 0.040 0.000 1.084 799 D HN 0.552 nan 8.370 nan 0.000 0.495 800 S N 0.129 115.876 115.700 0.078 0.000 2.461 800 S HA 0.204 4.673 4.470 -0.001 0.000 0.228 800 S C 1.619 176.272 174.600 0.089 0.000 1.005 800 S CA 0.344 58.605 58.200 0.100 0.000 0.942 800 S CB -0.226 63.046 63.200 0.120 0.000 0.776 800 S HN 0.526 nan 8.310 nan 0.000 0.514 801 G N 3.139 111.981 108.800 0.069 0.000 2.574 801 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.301 801 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.301 801 G C 0.117 175.060 174.900 0.072 0.000 1.166 801 G CA 0.563 45.700 45.100 0.061 0.000 0.971 801 G HN 0.778 nan 8.290 nan 0.000 0.542 802 D N 0.180 120.627 120.400 0.078 0.000 2.440 802 D HA 0.364 5.004 4.640 -0.001 0.000 0.216 802 D C 0.654 177.036 176.300 0.137 0.000 1.150 802 D CA -0.227 53.836 54.000 0.105 0.000 0.832 802 D CB 0.279 41.127 40.800 0.080 0.000 0.992 802 D HN 0.454 nan 8.370 nan 0.000 0.502 803 I N 1.464 122.101 120.570 0.112 0.000 2.460 803 I HA 0.504 4.674 4.170 -0.001 0.000 0.298 803 I C -0.138 176.069 176.117 0.150 0.000 0.989 803 I CA -1.121 60.193 61.300 0.023 0.000 1.173 803 I CB 0.700 38.685 38.000 -0.025 0.000 1.338 803 I HN 0.011 nan 8.210 nan 0.000 0.456 804 F N 4.146 123.920 119.950 -0.294 0.000 2.711 804 F HA 0.690 5.217 4.527 -0.001 0.000 0.313 804 F C -2.036 173.408 175.800 -0.593 0.000 1.141 804 F CA -1.159 56.690 58.000 -0.251 0.000 0.941 804 F CB 1.559 40.483 39.000 -0.127 0.000 1.349 804 F HN 0.167 nan 8.300 nan 0.000 0.464 805 Y N 0.181 120.257 120.300 -0.373 0.000 2.425 805 Y HA 0.679 5.228 4.550 -0.001 0.000 0.344 805 Y C -0.027 175.697 175.900 -0.294 0.000 0.969 805 Y CA -0.790 56.951 58.100 -0.600 0.000 1.052 805 Y CB 2.427 40.108 38.460 -1.299 0.000 1.215 805 Y HN 0.863 nan 8.280 nan 0.000 0.451 806 T N -1.327 113.152 114.554 -0.124 0.000 2.906 806 T HA 0.486 4.835 4.350 -0.001 0.000 0.295 806 T C -1.055 173.468 174.700 -0.294 0.000 1.075 806 T CA -1.067 60.981 62.100 -0.087 0.000 1.005 806 T CB 2.034 70.826 68.868 -0.126 0.000 1.136 806 T HN 0.584 nan 8.240 nan 0.000 0.498 807 D N 1.174 121.247 120.400 -0.544 0.000 2.340 807 D HA 0.368 5.008 4.640 -0.001 0.000 0.251 807 D C -0.598 175.440 176.300 -0.436 0.000 1.080 807 D CA -0.812 52.687 54.000 -0.835 0.000 0.971 807 D CB 1.225 41.274 40.800 -1.253 0.000 1.137 807 D HN 0.561 nan 8.370 nan 0.000 0.475 808 L N 0.899 121.907 121.223 -0.358 0.000 2.316 808 L HA 0.217 4.557 4.340 -0.001 0.000 0.280 808 L C -0.146 176.608 176.870 -0.193 0.000 1.006 808 L CA -0.795 53.928 54.840 -0.196 0.000 0.836 808 L CB 0.484 42.489 42.059 -0.089 0.000 1.221 808 L HN 0.454 nan 8.230 nan 0.000 0.418 809 N N 2.128 120.721 118.700 -0.178 0.000 2.714 809 N HA -0.231 4.509 4.740 -0.001 0.000 0.250 809 N C 0.981 176.289 175.510 -0.337 0.000 1.117 809 N CA 0.897 53.840 53.050 -0.179 0.000 0.719 809 N CB -1.076 37.385 38.487 -0.043 0.000 1.081 809 N HN 1.077 nan 8.380 nan 0.000 0.557 810 G N -1.644 106.959 108.800 -0.328 0.000 2.166 810 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.260 810 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.260 810 G C 0.630 175.519 174.900 -0.017 0.000 0.986 810 G CA 0.688 45.627 45.100 -0.268 0.000 0.683 810 G HN 0.487 nan 8.290 nan 0.000 0.527 811 L N -0.365 120.786 121.223 -0.120 0.000 2.467 811 L HA 0.496 4.836 4.340 -0.001 0.000 0.213 811 L C 0.988 177.752 176.870 -0.177 0.000 1.053 811 L CA 1.949 56.635 54.840 -0.256 0.000 0.847 811 L CB 0.152 41.903 42.059 -0.514 0.000 1.075 811 L HN 0.711 nan 8.230 nan 0.000 0.479 812 Q N -1.859 117.838 119.800 -0.173 0.000 2.522 812 Q HA 0.348 4.687 4.340 -0.001 0.000 0.285 812 Q C -1.689 174.200 176.000 -0.185 0.000 0.982 812 Q CA -0.741 55.022 55.803 -0.067 0.000 0.805 812 Q CB 1.057 29.810 28.738 0.025 0.000 1.457 812 Q HN -0.049 nan 8.270 nan 0.000 0.394 813 F N 1.304 121.214 119.950 -0.066 0.000 2.436 813 F HA 0.605 5.132 4.527 -0.001 0.000 0.340 813 F C -0.157 175.608 175.800 -0.059 0.000 1.113 813 F CA -0.824 57.148 58.000 -0.048 0.000 1.022 813 F CB 1.662 40.678 39.000 0.027 0.000 1.128 813 F HN 0.535 nan 8.300 nan 0.000 0.466 814 I N 3.689 124.261 120.570 0.004 0.000 2.530 814 I HA 0.342 4.511 4.170 -0.001 0.000 0.297 814 I C -0.543 175.432 176.117 -0.236 0.000 1.011 814 I CA -0.890 60.362 61.300 -0.080 0.000 1.107 814 I CB 1.351 39.257 38.000 -0.157 0.000 1.285 814 I HN 0.500 nan 8.210 nan 0.000 0.436 815 K N 6.719 126.933 120.400 -0.311 0.000 2.368 815 K HA 0.284 4.604 4.320 -0.001 0.000 0.282 815 K C -0.860 175.291 176.600 -0.748 0.000 1.035 815 K CA -0.418 55.410 56.287 -0.765 0.000 0.973 815 K CB 0.529 32.725 32.500 -0.506 0.000 0.957 815 K HN 0.506 nan 8.250 nan 0.000 0.474 816 R N 3.267 123.142 120.500 -1.041 0.000 2.664 816 R HA 0.347 4.687 4.340 -0.001 0.000 0.286 816 R C -0.474 175.337 176.300 -0.816 0.000 0.967 816 R CA -0.774 54.653 56.100 -1.122 0.000 0.933 816 R CB 1.516 30.604 30.300 -2.021 0.000 1.146 816 R HN 0.663 nan 8.270 nan 0.000 0.468 817 R N 1.567 121.799 120.500 -0.446 0.000 2.476 817 R HA 0.282 4.622 4.340 -0.001 0.000 0.305 817 R C -0.463 175.876 176.300 0.065 0.000 0.965 817 R CA -0.663 55.349 56.100 -0.146 0.000 0.867 817 R CB 1.492 31.747 30.300 -0.075 0.000 1.176 817 R HN 0.538 nan 8.270 nan 0.000 0.447 818 R N 4.805 125.452 120.500 0.244 0.000 2.522 818 R HA 0.104 4.443 4.340 -0.001 0.000 0.284 818 R C -0.948 175.439 176.300 0.146 0.000 1.032 818 R CA 0.279 56.556 56.100 0.295 0.000 1.049 818 R CB 0.396 30.855 30.300 0.264 0.000 0.956 818 R HN 0.541 nan 8.270 nan 0.000 0.422 819 L N 5.000 126.288 121.223 0.107 0.000 2.342 819 L HA 0.220 4.559 4.340 -0.001 0.000 0.276 819 L C 0.126 176.991 176.870 -0.007 0.000 0.997 819 L CA -0.682 54.177 54.840 0.032 0.000 0.838 819 L CB 1.969 44.017 42.059 -0.018 0.000 1.224 819 L HN 0.655 nan 8.230 nan 0.000 0.416 820 D N 1.602 122.005 120.400 0.005 0.000 2.348 820 D HA -0.115 4.525 4.640 -0.001 0.000 0.216 820 D C 1.690 177.975 176.300 -0.025 0.000 0.970 820 D CA 0.779 54.776 54.000 -0.004 0.000 0.889 820 D CB 0.360 41.166 40.800 0.011 0.000 0.912 820 D HN 0.558 nan 8.370 nan 0.000 0.524 821 K N 0.220 120.596 120.400 -0.040 0.000 2.486 821 K HA 0.025 4.344 4.320 -0.001 0.000 0.194 821 K C 0.670 177.210 176.600 -0.100 0.000 1.033 821 K CA 0.304 56.564 56.287 -0.045 0.000 1.004 821 K CB 0.355 32.842 32.500 -0.022 0.000 0.798 821 K HN 0.102 nan 8.250 nan 0.000 0.495 822 L N 2.307 123.434 121.223 -0.160 0.000 2.330 822 L HA 0.465 4.805 4.340 -0.001 0.000 0.271 822 L C -2.245 174.522 176.870 -0.172 0.000 1.013 822 L CA -2.899 51.804 54.840 -0.228 0.000 0.816 822 L CB 1.418 43.244 42.059 -0.389 0.000 1.287 822 L HN -0.048 nan 8.230 nan 0.000 0.435 823 P HA 0.036 nan 4.420 nan 0.000 0.272 823 P C 0.845 178.022 177.300 -0.205 0.000 1.240 823 P CA -0.404 62.602 63.100 -0.157 0.000 0.791 823 P CB 1.251 32.885 31.700 -0.110 0.000 0.978 824 L N 0.865 121.995 121.223 -0.154 0.000 2.021 824 L HA -0.281 4.059 4.340 -0.001 0.000 0.215 824 L C 2.516 179.296 176.870 -0.150 0.000 1.074 824 L CA 1.949 56.720 54.840 -0.115 0.000 0.760 824 L CB -0.644 41.342 42.059 -0.121 0.000 0.889 824 L HN 0.436 nan 8.230 nan 0.000 0.433 825 Q N -0.325 119.279 119.800 -0.327 0.000 2.291 825 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 825 Q C 1.875 177.775 176.000 -0.168 0.000 0.976 825 Q CA 1.494 57.141 55.803 -0.260 0.000 0.875 825 Q CB -0.520 27.996 28.738 -0.371 0.000 0.927 825 Q HN 0.608 nan 8.270 nan 0.000 0.450 826 A N 1.513 124.016 122.820 -0.528 0.000 2.066 826 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 826 A C 1.660 179.064 177.584 -0.300 0.000 1.157 826 A CA 0.803 52.378 52.037 -0.770 0.000 0.670 826 A CB -0.210 17.989 19.000 -1.335 0.000 0.804 826 A HN 0.361 nan 8.150 nan 0.000 0.453 827 N N -1.207 117.431 118.700 -0.104 0.000 2.398 827 N HA 0.043 4.783 4.740 -0.001 0.000 0.188 827 N C -0.794 174.817 175.510 0.168 0.000 1.122 827 N CA 0.213 53.320 53.050 0.094 0.000 0.866 827 N CB 0.055 38.647 38.487 0.175 0.000 0.970 827 N HN 0.451 nan 8.380 nan 0.000 0.462 828 Y N 0.326 120.591 120.300 -0.058 0.000 2.319 828 Y HA 0.196 4.746 4.550 -0.001 0.000 0.328 828 Y C -0.147 175.702 175.900 -0.084 0.000 1.133 828 Y CA -0.118 58.029 58.100 0.077 0.000 1.265 828 Y CB 0.353 38.929 38.460 0.193 0.000 1.218 828 Y HN -0.069 nan 8.280 nan 0.000 0.508 829 Y N 3.073 123.508 120.300 0.226 0.000 2.605 829 Y HA 0.449 4.998 4.550 -0.001 0.000 0.343 829 Y C -2.300 173.292 175.900 -0.514 0.000 1.036 829 Y CA -2.874 55.205 58.100 -0.035 0.000 1.065 829 Y CB 1.587 40.022 38.460 -0.041 0.000 1.288 829 Y HN 0.441 nan 8.280 nan 0.000 0.481 830 P HA 0.122 nan 4.420 nan 0.000 0.271 830 P C -0.684 176.375 177.300 -0.402 0.000 1.216 830 P CA 0.208 62.717 63.100 -0.985 0.000 0.776 830 P CB 0.563 31.591 31.700 -1.119 0.000 0.881 831 I N 4.749 125.165 120.570 -0.257 0.000 2.620 831 I HA 0.169 4.339 4.170 -0.001 0.000 0.280 831 I C -1.698 174.350 176.117 -0.115 0.000 1.143 831 I CA -2.467 58.757 61.300 -0.127 0.000 1.163 831 I CB 0.719 38.700 38.000 -0.031 0.000 1.461 831 I HN 0.206 nan 8.210 nan 0.000 0.530 832 P HA -0.062 nan 4.420 nan 0.000 0.221 832 P C 1.051 178.323 177.300 -0.046 0.000 1.150 832 P CA 1.227 64.258 63.100 -0.115 0.000 0.800 832 P CB 0.590 32.193 31.700 -0.162 0.000 0.787 833 S N -3.447 112.231 115.700 -0.037 0.000 2.560 833 S HA 0.466 4.935 4.470 -0.001 0.000 0.281 833 S C 0.556 175.249 174.600 0.155 0.000 1.075 833 S CA 0.332 58.569 58.200 0.062 0.000 1.295 833 S CB 0.317 63.578 63.200 0.100 0.000 1.156 833 S HN 0.331 nan 8.310 nan 0.000 0.627 834 G N 1.548 110.443 108.800 0.158 0.000 2.466 834 G HA2 0.553 4.513 3.960 -0.001 0.000 0.291 834 G HA3 0.553 4.513 3.960 -0.001 0.000 0.291 834 G C -1.483 173.667 174.900 0.417 0.000 1.460 834 G CA -0.445 44.873 45.100 0.364 0.000 0.791 834 G HN 0.877 nan 8.290 nan 0.000 0.505 835 M N -0.603 119.262 119.600 0.441 0.000 2.520 835 M HA 0.890 5.370 4.480 -0.001 0.000 0.280 835 M C -1.723 174.819 176.300 0.403 0.000 1.232 835 M CA -1.021 54.498 55.300 0.365 0.000 0.892 835 M CB 2.540 35.266 32.600 0.209 0.000 1.728 835 M HN 1.198 nan 8.290 nan 0.000 0.475 836 F N 0.903 121.003 119.950 0.250 0.000 2.668 836 F HA 0.900 5.427 4.527 -0.001 0.000 0.309 836 F C -1.804 174.135 175.800 0.231 0.000 1.117 836 F CA -1.202 56.884 58.000 0.144 0.000 0.951 836 F CB 1.101 40.099 39.000 -0.003 0.000 1.323 836 F HN 0.783 nan 8.300 nan 0.000 0.451 837 I N -0.102 120.713 120.570 0.408 0.000 2.785 837 I HA 0.895 5.065 4.170 -0.001 0.000 0.302 837 I C -1.373 174.934 176.117 0.316 0.000 1.069 837 I CA -0.886 60.615 61.300 0.334 0.000 1.045 837 I CB 2.404 40.513 38.000 0.182 0.000 1.236 837 I HN 0.949 nan 8.210 nan 0.000 0.429 838 E N 2.064 122.434 120.200 0.283 0.000 2.407 838 E HA 0.526 4.875 4.350 -0.001 0.000 0.279 838 E C -2.062 174.623 176.600 0.142 0.000 1.012 838 E CA -0.845 55.662 56.400 0.178 0.000 0.800 838 E CB 2.193 31.984 29.700 0.151 0.000 1.276 838 E HN 0.739 nan 8.360 nan 0.000 0.452 839 D N 0.669 121.121 120.400 0.087 0.000 2.723 839 D HA 0.464 5.104 4.640 -0.001 0.000 0.247 839 D C 0.919 177.249 176.300 0.049 0.000 1.134 839 D CA -0.178 53.865 54.000 0.072 0.000 1.099 839 D CB 0.015 40.849 40.800 0.058 0.000 1.287 839 D HN 0.450 nan 8.370 nan 0.000 0.634 840 A N -0.732 122.110 122.820 0.037 0.000 2.019 840 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 840 A C 1.510 179.098 177.584 0.007 0.000 1.164 840 A CA 1.528 53.579 52.037 0.022 0.000 0.644 840 A CB -0.720 18.291 19.000 0.019 0.000 0.805 840 A HN 0.517 nan 8.150 nan 0.000 0.449 841 N N -1.723 116.980 118.700 0.006 0.000 2.397 841 N HA 0.067 4.806 4.740 -0.001 0.000 0.190 841 N C -0.368 175.132 175.510 -0.016 0.000 1.099 841 N CA 0.764 53.810 53.050 -0.007 0.000 0.876 841 N CB 0.577 39.062 38.487 -0.003 0.000 1.143 841 N HN 0.307 nan 8.380 nan 0.000 0.468 842 T N 0.599 115.150 114.554 -0.006 0.000 2.893 842 T HA 0.466 4.815 4.350 -0.001 0.000 0.293 842 T C -0.554 174.140 174.700 -0.011 0.000 1.027 842 T CA -0.655 61.435 62.100 -0.015 0.000 0.988 842 T CB 2.874 71.740 68.868 -0.003 0.000 1.043 842 T HN -0.036 nan 8.240 nan 0.000 0.461 843 R N 1.837 122.313 120.500 -0.040 0.000 2.686 843 R HA 0.731 5.070 4.340 -0.001 0.000 0.283 843 R C -1.994 174.282 176.300 -0.040 0.000 0.978 843 R CA -0.902 55.174 56.100 -0.040 0.000 0.897 843 R CB 1.332 31.541 30.300 -0.150 0.000 1.192 843 R HN 0.456 nan 8.270 nan 0.000 0.457 844 L N 2.576 123.805 121.223 0.010 0.000 2.349 844 L HA 0.505 4.845 4.340 -0.001 0.000 0.278 844 L C -1.341 175.568 176.870 0.065 0.000 0.996 844 L CA 0.083 54.922 54.840 -0.000 0.000 0.825 844 L CB 2.269 44.316 42.059 -0.020 0.000 1.243 844 L HN 0.646 nan 8.230 nan 0.000 0.412 845 T N 5.651 120.224 114.554 0.031 0.000 2.807 845 T HA 0.558 4.907 4.350 -0.001 0.000 0.279 845 T C -1.058 173.707 174.700 0.108 0.000 0.993 845 T CA -0.281 61.879 62.100 0.100 0.000 0.970 845 T CB 1.423 70.278 68.868 -0.022 0.000 0.950 845 T HN 0.451 nan 8.240 nan 0.000 0.441 846 L N 5.132 126.455 121.223 0.167 0.000 2.294 846 L HA 0.524 4.864 4.340 -0.001 0.000 0.283 846 L C -1.255 175.763 176.870 0.247 0.000 1.015 846 L CA -0.704 54.246 54.840 0.183 0.000 0.831 846 L CB 0.482 42.630 42.059 0.148 0.000 1.217 846 L HN 0.413 nan 8.230 nan 0.000 0.420 847 L N 3.850 125.220 121.223 0.246 0.000 2.325 847 L HA 0.630 4.969 4.340 -0.001 0.000 0.279 847 L C 0.548 177.570 176.870 0.254 0.000 1.054 847 L CA -0.244 54.741 54.840 0.240 0.000 0.804 847 L CB 1.384 43.553 42.059 0.184 0.000 1.200 847 L HN 0.755 nan 8.230 nan 0.000 0.436 848 T N -2.294 112.365 114.554 0.174 0.000 2.887 848 T HA 0.607 4.956 4.350 -0.001 0.000 0.288 848 T C 0.696 175.368 174.700 -0.048 0.000 1.021 848 T CA -0.299 61.819 62.100 0.030 0.000 1.000 848 T CB 1.917 70.808 68.868 0.038 0.000 1.034 848 T HN 0.680 nan 8.240 nan 0.000 0.467 849 G N 1.351 110.048 108.800 -0.171 0.000 3.284 849 G HA2 0.412 4.372 3.960 -0.001 0.000 0.236 849 G HA3 0.412 4.372 3.960 -0.001 0.000 0.236 849 G C 0.185 175.027 174.900 -0.096 0.000 1.158 849 G CA -0.286 44.747 45.100 -0.111 0.000 0.774 849 G HN 0.963 nan 8.290 nan 0.000 0.545 850 Q N -0.255 119.481 119.800 -0.107 0.000 2.527 850 Q HA 0.316 4.656 4.340 -0.001 0.000 0.280 850 Q C -3.538 172.426 176.000 -0.060 0.000 0.977 850 Q CA -2.295 53.468 55.803 -0.067 0.000 0.837 850 Q CB 1.772 30.481 28.738 -0.048 0.000 1.454 850 Q HN -0.011 nan 8.270 nan 0.000 0.387 851 P HA 0.498 nan 4.420 nan 0.000 0.281 851 P C -0.697 176.590 177.300 -0.022 0.000 1.252 851 P CA -0.192 62.891 63.100 -0.029 0.000 0.778 851 P CB 1.046 32.736 31.700 -0.018 0.000 0.895 852 L N 1.528 122.733 121.223 -0.029 0.000 2.491 852 L HA 0.666 5.005 4.340 -0.001 0.000 0.254 852 L C 0.709 177.597 176.870 0.030 0.000 1.048 852 L CA -1.148 53.698 54.840 0.010 0.000 0.855 852 L CB 2.091 44.142 42.059 -0.014 0.000 1.466 852 L HN 0.343 nan 8.230 nan 0.000 0.409 853 G N -0.919 107.953 108.800 0.121 0.000 2.420 853 G HA2 0.665 4.624 3.960 -0.001 0.000 0.284 853 G HA3 0.665 4.624 3.960 -0.001 0.000 0.284 853 G C -0.476 174.441 174.900 0.028 0.000 1.177 853 G CA 0.138 45.362 45.100 0.206 0.000 0.841 853 G HN 0.864 nan 8.290 nan 0.000 0.527 854 G N -1.348 107.284 108.800 -0.280 0.000 2.600 854 G HA2 0.692 4.651 3.960 -0.001 0.000 0.293 854 G HA3 0.692 4.651 3.960 -0.001 0.000 0.293 854 G C -1.166 173.281 174.900 -0.755 0.000 1.408 854 G CA 0.406 45.149 45.100 -0.595 0.000 0.782 854 G HN 1.270 nan 8.290 nan 0.000 0.482 855 S N -1.947 113.380 115.700 -0.621 0.000 2.683 855 S HA 0.711 5.180 4.470 -0.001 0.000 0.269 855 S C -1.577 172.581 174.600 -0.737 0.000 1.165 855 S CA 0.342 58.179 58.200 -0.605 0.000 0.840 855 S CB 1.262 64.178 63.200 -0.473 0.000 1.169 855 S HN 1.556 nan 8.310 nan 0.000 0.490 856 S N 1.637 116.619 115.700 -1.196 0.000 2.664 856 S HA 0.472 4.942 4.470 -0.001 0.000 0.262 856 S C 0.173 174.523 174.600 -0.417 0.000 1.229 856 S CA -0.631 57.120 58.200 -0.748 0.000 1.151 856 S CB -0.074 62.608 63.200 -0.862 0.000 1.054 856 S HN 0.572 nan 8.310 nan 0.000 0.483 857 L N 3.060 124.179 121.223 -0.173 0.000 2.558 857 L HA 0.478 4.817 4.340 -0.001 0.000 0.225 857 L C 0.888 177.750 176.870 -0.012 0.000 1.128 857 L CA 0.298 55.115 54.840 -0.038 0.000 0.868 857 L CB -0.061 42.034 42.059 0.060 0.000 1.006 857 L HN 0.694 nan 8.230 nan 0.000 0.454 858 A N -1.252 121.548 122.820 -0.033 0.000 2.604 858 A HA 0.454 4.773 4.320 -0.001 0.000 0.295 858 A C -0.438 177.143 177.584 -0.005 0.000 1.067 858 A CA -0.452 51.583 52.037 -0.003 0.000 0.683 858 A CB 1.187 20.192 19.000 0.008 0.000 1.281 858 A HN -0.144 nan 8.150 nan 0.000 0.407 859 S N -0.103 115.608 115.700 0.019 0.000 2.558 859 S HA 0.393 4.862 4.470 -0.001 0.000 0.293 859 S C 1.541 176.158 174.600 0.028 0.000 1.292 859 S CA 1.953 60.172 58.200 0.031 0.000 1.063 859 S CB -0.065 63.158 63.200 0.040 0.000 0.831 859 S HN 2.657 nan 8.310 nan 0.000 0.499 860 G N 3.427 112.246 108.800 0.031 0.000 2.179 860 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.260 860 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.260 860 G C -0.162 174.729 174.900 -0.014 0.000 0.977 860 G CA 0.484 45.599 45.100 0.025 0.000 0.641 860 G HN 0.718 nan 8.290 nan 0.000 0.533 861 E N -0.486 119.692 120.200 -0.037 0.000 2.212 861 E HA 0.774 5.124 4.350 -0.001 0.000 0.270 861 E C -0.209 176.325 176.600 -0.110 0.000 0.956 861 E CA -0.750 55.606 56.400 -0.074 0.000 0.825 861 E CB 1.824 31.481 29.700 -0.072 0.000 1.167 861 E HN 0.239 nan 8.360 nan 0.000 0.400 862 L N 1.678 122.831 121.223 -0.118 0.000 2.388 862 L HA 0.476 4.816 4.340 -0.001 0.000 0.264 862 L C -0.611 176.185 176.870 -0.122 0.000 0.998 862 L CA -0.638 54.123 54.840 -0.131 0.000 0.817 862 L CB 2.013 44.025 42.059 -0.077 0.000 1.338 862 L HN 0.669 nan 8.230 nan 0.000 0.414 863 E N 2.831 122.952 120.200 -0.132 0.000 2.390 863 E HA 0.713 5.062 4.350 -0.001 0.000 0.277 863 E C -1.533 175.020 176.600 -0.079 0.000 0.939 863 E CA -0.847 55.508 56.400 -0.075 0.000 0.769 863 E CB 3.361 33.062 29.700 0.002 0.000 1.251 863 E HN 0.527 nan 8.360 nan 0.000 0.450 864 I N 2.092 122.654 120.570 -0.013 0.000 2.610 864 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 864 I C -1.412 174.770 176.117 0.109 0.000 1.163 864 I CA -1.124 60.190 61.300 0.024 0.000 1.044 864 I CB 1.966 39.984 38.000 0.030 0.000 1.251 864 I HN 0.780 nan 8.210 nan 0.000 0.424 865 M N 6.239 125.941 119.600 0.169 0.000 2.238 865 M HA 0.221 4.700 4.480 -0.001 0.000 0.347 865 M C 0.563 176.965 176.300 0.170 0.000 1.173 865 M CA 0.632 56.043 55.300 0.184 0.000 1.147 865 M CB 0.922 33.609 32.600 0.144 0.000 1.547 865 M HN 0.576 nan 8.290 nan 0.000 0.455 866 Q N 1.383 121.317 119.800 0.224 0.000 2.287 866 Q HA 0.260 4.599 4.340 -0.001 0.000 0.201 866 Q C -0.266 175.944 176.000 0.350 0.000 0.946 866 Q CA 0.818 56.820 55.803 0.332 0.000 0.868 866 Q CB 0.386 29.350 28.738 0.377 0.000 0.967 866 Q HN 0.765 nan 8.270 nan 0.000 0.516 867 D N -0.895 119.643 120.400 0.230 0.000 2.671 867 D HA 0.301 4.941 4.640 -0.001 0.000 0.273 867 D C -1.424 174.951 176.300 0.126 0.000 1.264 867 D CA -0.487 53.624 54.000 0.186 0.000 0.788 867 D CB 1.477 42.378 40.800 0.168 0.000 1.324 867 D HN 0.038 nan 8.370 nan 0.000 0.424 868 R N 0.747 121.310 120.500 0.104 0.000 2.584 868 R HA 0.676 5.016 4.340 -0.001 0.000 0.276 868 R C -1.092 175.256 176.300 0.079 0.000 1.046 868 R CA -1.052 55.094 56.100 0.076 0.000 0.906 868 R CB 2.079 32.396 30.300 0.027 0.000 1.215 868 R HN 0.323 nan 8.270 nan 0.000 0.449 869 R N 3.762 124.307 120.500 0.074 0.000 2.451 869 R HA 0.465 4.804 4.340 -0.001 0.000 0.307 869 R C -1.492 174.845 176.300 0.061 0.000 0.965 869 R CA -0.558 55.582 56.100 0.066 0.000 0.865 869 R CB 1.256 31.592 30.300 0.061 0.000 1.174 869 R HN 0.712 nan 8.270 nan 0.000 0.455 870 L N 3.927 125.184 121.223 0.057 0.000 2.381 870 L HA 0.531 4.871 4.340 -0.001 0.000 0.274 870 L C 0.744 177.640 176.870 0.044 0.000 0.988 870 L CA -0.562 54.309 54.840 0.052 0.000 0.824 870 L CB 2.156 44.248 42.059 0.054 0.000 1.263 870 L HN 0.803 nan 8.230 nan 0.000 0.410 871 A N 1.590 124.432 122.820 0.037 0.000 2.067 871 A HA 0.151 4.470 4.320 -0.001 0.000 0.217 871 A C 0.931 178.532 177.584 0.028 0.000 1.156 871 A CA 0.616 52.671 52.037 0.030 0.000 0.683 871 A CB 0.014 19.028 19.000 0.023 0.000 0.808 871 A HN 0.612 nan 8.150 nan 0.000 0.455 872 S N -0.001 115.716 115.700 0.029 0.000 2.593 872 S HA 0.412 4.882 4.470 -0.001 0.000 0.297 872 S C -0.628 173.992 174.600 0.035 0.000 1.112 872 S CA -0.666 57.550 58.200 0.027 0.000 1.043 872 S CB 1.479 64.691 63.200 0.019 0.000 1.054 872 S HN 0.480 nan 8.310 nan 0.000 0.516 873 D N 0.436 120.856 120.400 0.034 0.000 2.341 873 D HA 0.201 4.841 4.640 -0.001 0.000 0.245 873 D C -0.101 176.220 176.300 0.035 0.000 1.106 873 D CA -0.346 53.683 54.000 0.048 0.000 0.905 873 D CB 0.664 41.490 40.800 0.044 0.000 1.202 873 D HN 0.507 nan 8.370 nan 0.000 0.426 874 D N 1.899 122.325 120.400 0.043 0.000 2.525 874 D HA 0.067 4.707 4.640 -0.001 0.000 0.229 874 D C -0.377 175.886 176.300 -0.062 0.000 1.202 874 D CA -0.293 53.700 54.000 -0.012 0.000 0.828 874 D CB -0.445 40.339 40.800 -0.026 0.000 1.008 874 D HN 0.676 nan 8.370 nan 0.000 0.493 875 E N -0.206 119.981 120.200 -0.021 0.000 2.637 875 E HA -0.215 4.134 4.350 -0.001 0.000 0.265 875 E C 0.178 176.739 176.600 -0.066 0.000 1.073 875 E CA 0.200 56.583 56.400 -0.029 0.000 0.778 875 E CB -0.732 28.949 29.700 -0.032 0.000 1.362 875 E HN 0.213 nan 8.360 nan 0.000 0.413 876 R N -0.621 119.810 120.500 -0.114 0.000 2.577 876 R HA 0.226 4.565 4.340 -0.001 0.000 0.344 876 R C 1.326 177.683 176.300 0.095 0.000 1.037 876 R CA 0.636 56.593 56.100 -0.239 0.000 1.102 876 R CB 0.990 30.688 30.300 -1.004 0.000 1.313 876 R HN 0.405 nan 8.270 nan 0.000 0.561 877 G N 0.776 109.711 108.800 0.226 0.000 2.213 877 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.226 877 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.226 877 G C 0.748 175.768 174.900 0.201 0.000 0.992 877 G CA 0.244 45.564 45.100 0.367 0.000 0.632 877 G HN 0.298 nan 8.290 nan 0.000 0.511 878 L N 1.448 122.887 121.223 0.360 0.000 2.093 878 L HA 0.459 4.799 4.340 -0.001 0.000 0.208 878 L C 2.192 179.060 176.870 -0.002 0.000 1.085 878 L CA 2.735 57.674 54.840 0.165 0.000 0.755 878 L CB -0.585 41.729 42.059 0.425 0.000 0.904 878 L HN 1.720 nan 8.230 nan 0.000 0.435 879 G N -0.433 108.396 108.800 0.049 0.000 2.160 879 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.251 879 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.251 879 G C 0.061 174.972 174.900 0.019 0.000 1.008 879 G CA 0.622 45.730 45.100 0.012 0.000 0.724 879 G HN 0.801 nan 8.290 nan 0.000 0.514 880 Q N -2.129 117.698 119.800 0.045 0.000 2.633 880 Q HA 0.665 5.005 4.340 -0.001 0.000 0.289 880 Q C 0.389 176.423 176.000 0.056 0.000 0.940 880 Q CA -0.611 55.217 55.803 0.042 0.000 0.785 880 Q CB 0.382 29.142 28.738 0.037 0.000 1.467 880 Q HN 0.978 nan 8.270 nan 0.000 0.401 881 G N 0.018 108.847 108.800 0.048 0.000 2.494 881 G HA2 0.504 4.463 3.960 -0.001 0.000 0.270 881 G HA3 0.504 4.463 3.960 -0.001 0.000 0.270 881 G C -0.924 174.009 174.900 0.055 0.000 1.423 881 G CA -0.614 44.516 45.100 0.050 0.000 1.055 881 G HN 0.405 nan 8.290 nan 0.000 0.536 882 V N 0.860 120.807 119.914 0.056 0.000 2.305 882 V HA 0.338 4.458 4.120 -0.001 0.000 0.275 882 V C 0.079 176.210 176.094 0.063 0.000 1.020 882 V CA -0.151 62.188 62.300 0.066 0.000 0.811 882 V CB 0.872 32.737 31.823 0.071 0.000 1.031 882 V HN 0.539 nan 8.190 nan 0.000 0.439 883 L N 3.299 124.558 121.223 0.059 0.000 3.229 883 L HA 0.323 4.662 4.340 -0.001 0.000 0.286 883 L C 0.602 177.501 176.870 0.049 0.000 1.239 883 L CA 0.018 54.888 54.840 0.049 0.000 1.035 883 L CB 0.711 42.793 42.059 0.038 0.000 1.408 883 L HN 0.659 nan 8.230 nan 0.000 0.593 884 D N -2.062 118.377 120.400 0.064 0.000 2.525 884 D HA 0.054 4.694 4.640 -0.001 0.000 0.229 884 D C 0.152 176.496 176.300 0.072 0.000 1.202 884 D CA -0.450 53.589 54.000 0.064 0.000 0.828 884 D CB -0.379 40.467 40.800 0.077 0.000 1.008 884 D HN 0.082 nan 8.370 nan 0.000 0.493 885 N N 1.658 120.399 118.700 0.068 0.000 2.395 885 N HA 0.112 4.852 4.740 -0.001 0.000 0.246 885 N C 0.202 175.726 175.510 0.023 0.000 1.246 885 N CA 0.360 53.451 53.050 0.068 0.000 0.879 885 N CB 0.655 39.180 38.487 0.063 0.000 1.098 885 N HN 0.323 nan 8.380 nan 0.000 0.444 886 K N -0.511 119.891 120.400 0.003 0.000 2.536 886 K HA 0.550 4.870 4.320 -0.001 0.000 0.269 886 K C -3.264 173.314 176.600 -0.037 0.000 0.965 886 K CA -1.996 54.249 56.287 -0.069 0.000 0.860 886 K CB 1.230 33.606 32.500 -0.207 0.000 1.423 886 K HN 0.121 nan 8.250 nan 0.000 0.438 887 P HA -0.012 nan 4.420 nan 0.000 0.265 887 P C -1.044 176.281 177.300 0.043 0.000 1.193 887 P CA -0.423 62.664 63.100 -0.021 0.000 0.765 887 P CB 0.751 32.429 31.700 -0.037 0.000 0.823 888 V N 5.070 124.976 119.914 -0.013 0.000 2.841 888 V HA 0.464 4.584 4.120 -0.001 0.000 0.310 888 V C -1.365 174.609 176.094 -0.200 0.000 1.090 888 V CA -1.092 61.178 62.300 -0.051 0.000 0.930 888 V CB 2.140 33.903 31.823 -0.100 0.000 1.014 888 V HN 0.276 nan 8.190 nan 0.000 0.425 889 L N 7.013 128.146 121.223 -0.151 0.000 2.270 889 L HA 0.588 4.928 4.340 -0.001 0.000 0.286 889 L C -0.329 176.525 176.870 -0.026 0.000 1.059 889 L CA 0.138 54.922 54.840 -0.093 0.000 0.839 889 L CB 0.244 42.270 42.059 -0.055 0.000 1.221 889 L HN 0.701 nan 8.230 nan 0.000 0.431 890 H N 5.654 124.742 119.070 0.029 0.000 2.582 890 H HA 0.475 5.031 4.556 -0.001 0.000 0.345 890 H C -0.070 175.160 175.328 -0.164 0.000 1.104 890 H CA -0.156 55.853 56.048 -0.065 0.000 1.390 890 H CB 1.159 30.951 29.762 0.049 0.000 1.461 890 H HN 0.686 nan 8.280 nan 0.000 0.551 891 I N 0.177 120.579 120.570 -0.280 0.000 2.689 891 I HA 0.616 4.785 4.170 -0.001 0.000 0.299 891 I C -1.416 174.368 176.117 -0.554 0.000 1.059 891 I CA -0.967 60.192 61.300 -0.236 0.000 1.055 891 I CB 2.194 40.149 38.000 -0.075 0.000 1.243 891 I HN 0.246 nan 8.210 nan 0.000 0.425 892 Y N 2.290 122.642 120.300 0.087 0.000 2.638 892 Y HA 0.685 5.235 4.550 -0.001 0.000 0.335 892 Y C -0.643 175.313 175.900 0.094 0.000 1.155 892 Y CA -1.083 57.075 58.100 0.097 0.000 1.046 892 Y CB 1.600 40.136 38.460 0.128 0.000 1.303 892 Y HN 0.417 nan 8.280 nan 0.000 0.460 893 R N 1.416 122.079 120.500 0.272 0.000 2.686 893 R HA 0.607 4.946 4.340 -0.001 0.000 0.286 893 R C -1.909 174.506 176.300 0.192 0.000 0.969 893 R CA -1.144 55.070 56.100 0.189 0.000 0.898 893 R CB 2.551 32.924 30.300 0.121 0.000 1.183 893 R HN 0.640 nan 8.270 nan 0.000 0.456 894 L N 2.624 123.940 121.223 0.156 0.000 2.316 894 L HA 0.417 4.757 4.340 -0.001 0.000 0.280 894 L C -1.237 175.665 176.870 0.054 0.000 1.006 894 L CA -0.564 54.343 54.840 0.113 0.000 0.836 894 L CB 1.748 43.887 42.059 0.133 0.000 1.221 894 L HN 0.300 nan 8.230 nan 0.000 0.418 895 V N 6.137 126.067 119.914 0.026 0.000 2.334 895 V HA 0.411 4.530 4.120 -0.001 0.000 0.281 895 V C -0.319 175.753 176.094 -0.037 0.000 1.016 895 V CA -0.592 61.704 62.300 -0.007 0.000 0.832 895 V CB 1.414 33.226 31.823 -0.019 0.000 0.999 895 V HN 0.631 nan 8.190 nan 0.000 0.439 896 L N 5.621 126.818 121.223 -0.044 0.000 2.275 896 L HA 0.702 5.042 4.340 -0.001 0.000 0.288 896 L C -0.167 176.666 176.870 -0.062 0.000 1.046 896 L CA 0.621 55.426 54.840 -0.058 0.000 0.805 896 L CB 1.118 43.140 42.059 -0.062 0.000 1.193 896 L HN 0.754 nan 8.230 nan 0.000 0.426 897 E N 3.510 123.666 120.200 -0.073 0.000 2.413 897 E HA 0.450 4.799 4.350 -0.001 0.000 0.277 897 E C -1.303 175.253 176.600 -0.073 0.000 0.958 897 E CA -1.198 55.156 56.400 -0.077 0.000 0.779 897 E CB 1.430 31.068 29.700 -0.102 0.000 1.278 897 E HN 0.231 nan 8.360 nan 0.000 0.456 898 K N 1.362 121.722 120.400 -0.066 0.000 2.234 898 K HA 0.202 4.521 4.320 -0.001 0.000 0.282 898 K C 0.363 176.921 176.600 -0.070 0.000 1.039 898 K CA -0.186 56.066 56.287 -0.057 0.000 0.928 898 K CB 1.241 33.713 32.500 -0.048 0.000 1.039 898 K HN 0.494 nan 8.250 nan 0.000 0.470 899 V N -0.421 119.453 119.914 -0.068 0.000 3.346 899 V HA 0.027 4.147 4.120 -0.001 0.000 0.309 899 V C 1.177 177.237 176.094 -0.057 0.000 1.457 899 V CA -0.295 61.957 62.300 -0.080 0.000 1.069 899 V CB -0.270 31.488 31.823 -0.108 0.000 0.944 899 V HN 0.605 nan 8.190 nan 0.000 0.449 900 N N 1.559 120.233 118.700 -0.042 0.000 2.289 900 N HA -0.185 4.555 4.740 -0.001 0.000 0.184 900 N C 1.030 176.520 175.510 -0.033 0.000 1.016 900 N CA 1.694 54.726 53.050 -0.030 0.000 0.872 900 N CB -0.525 37.948 38.487 -0.023 0.000 0.973 900 N HN 0.541 nan 8.380 nan 0.000 0.433 901 N N 0.044 118.719 118.700 -0.041 0.000 2.336 901 N HA 0.071 4.810 4.740 -0.001 0.000 0.189 901 N C -0.271 175.209 175.510 -0.051 0.000 1.113 901 N CA -0.094 52.931 53.050 -0.042 0.000 0.858 901 N CB 0.075 38.537 38.487 -0.042 0.000 0.970 901 N HN 0.219 nan 8.380 nan 0.000 0.471 902 c N 1.245 119.809 118.600 -0.060 0.000 2.601 902 c HA 0.261 4.831 4.570 -0.001 0.000 0.409 902 c C 1.060 175.113 174.090 -0.062 0.000 1.293 902 c CA -0.933 55.353 56.329 -0.072 0.000 2.101 902 c CB 0.810 43.263 42.510 -0.095 0.000 2.639 902 c HN 0.012 nan 8.230 nan 0.000 0.592 903 V N 5.607 125.481 119.914 -0.067 0.000 2.370 903 V HA 0.205 4.324 4.120 -0.001 0.000 0.257 903 V C 0.644 176.701 176.094 -0.061 0.000 1.064 903 V CA 0.382 62.647 62.300 -0.058 0.000 0.975 903 V CB -0.674 31.110 31.823 -0.065 0.000 1.067 903 V HN 0.793 nan 8.190 nan 0.000 0.485 904 R N 4.598 125.074 120.500 -0.040 0.000 2.758 904 R HA 0.547 4.886 4.340 -0.001 0.000 0.265 904 R C -2.432 173.862 176.300 -0.011 0.000 1.016 904 R CA -1.856 54.228 56.100 -0.026 0.000 1.040 904 R CB 1.035 31.323 30.300 -0.020 0.000 1.152 904 R HN 0.392 nan 8.270 nan 0.000 0.503 905 P HA -0.040 nan 4.420 nan 0.000 0.271 905 P C -0.353 176.985 177.300 0.064 0.000 1.233 905 P CA -0.198 62.886 63.100 -0.026 0.000 0.789 905 P CB 0.563 32.168 31.700 -0.159 0.000 0.951 906 S N 0.805 116.572 115.700 0.111 0.000 2.606 906 S HA 0.090 4.559 4.470 -0.001 0.000 0.257 906 S C 1.054 175.735 174.600 0.135 0.000 1.327 906 S CA -0.166 58.100 58.200 0.112 0.000 0.984 906 S CB 0.295 63.564 63.200 0.114 0.000 0.941 906 S HN 0.309 nan 8.310 nan 0.000 0.576 907 K N 0.214 120.676 120.400 0.103 0.000 2.280 907 K HA 0.045 4.365 4.320 -0.001 0.000 0.202 907 K C 1.447 178.105 176.600 0.096 0.000 1.047 907 K CA 1.141 57.486 56.287 0.097 0.000 0.942 907 K CB -0.545 31.996 32.500 0.068 0.000 0.739 907 K HN 0.539 nan 8.250 nan 0.000 0.457 908 L N -0.077 121.206 121.223 0.099 0.000 2.567 908 L HA 0.051 4.391 4.340 -0.001 0.000 0.225 908 L C 1.055 177.982 176.870 0.095 0.000 1.119 908 L CA -0.234 54.649 54.840 0.073 0.000 0.871 908 L CB -0.214 41.872 42.059 0.046 0.000 1.036 908 L HN 0.241 nan 8.230 nan 0.000 0.459 909 H N 2.499 121.609 119.070 0.066 0.000 2.764 909 H HA 0.087 4.643 4.556 -0.001 0.000 0.341 909 H C -1.736 173.635 175.328 0.071 0.000 1.072 909 H CA -1.303 54.797 56.048 0.086 0.000 1.444 909 H CB 1.815 31.655 29.762 0.130 0.000 1.458 909 H HN -0.095 nan 8.280 nan 0.000 0.572 910 P HA 0.158 nan 4.420 nan 0.000 0.249 910 P C -0.484 176.930 177.300 0.190 0.000 1.229 910 P CA 0.169 63.314 63.100 0.076 0.000 0.788 910 P CB 0.521 32.191 31.700 -0.050 0.000 1.072 911 A N -0.327 122.772 122.820 0.466 0.000 2.299 911 A HA 0.762 5.081 4.320 -0.001 0.000 0.332 911 A C 0.275 177.921 177.584 0.104 0.000 1.131 911 A CA -0.339 51.836 52.037 0.230 0.000 0.844 911 A CB 1.043 20.168 19.000 0.208 0.000 1.251 911 A HN 0.158 nan 8.150 nan 0.000 0.486 912 G N -1.438 107.301 108.800 -0.101 0.000 2.658 912 G HA2 0.640 4.600 3.960 -0.001 0.000 0.292 912 G HA3 0.640 4.600 3.960 -0.001 0.000 0.292 912 G C -1.761 172.763 174.900 -0.626 0.000 1.320 912 G CA -0.441 44.500 45.100 -0.265 0.000 0.933 912 G HN 0.558 nan 8.290 nan 0.000 0.476 913 Y N -0.934 119.334 120.300 -0.054 0.000 2.534 913 Y HA 0.478 5.027 4.550 -0.001 0.000 0.345 913 Y C 0.339 176.006 175.900 -0.388 0.000 1.031 913 Y CA -0.922 57.079 58.100 -0.165 0.000 1.022 913 Y CB 2.138 40.491 38.460 -0.178 0.000 1.292 913 Y HN 0.323 nan 8.280 nan 0.000 0.459 914 L N 2.038 123.103 121.223 -0.263 0.000 2.453 914 L HA 0.369 4.708 4.340 -0.001 0.000 0.261 914 L C 0.682 177.405 176.870 -0.244 0.000 1.179 914 L CA -0.519 54.089 54.840 -0.388 0.000 0.813 914 L CB 0.848 42.756 42.059 -0.251 0.000 1.110 914 L HN 0.780 nan 8.230 nan 0.000 0.466 915 T N -2.315 112.083 114.554 -0.259 0.000 2.847 915 T HA 0.149 4.498 4.350 -0.001 0.000 0.279 915 T C 1.162 175.814 174.700 -0.079 0.000 0.984 915 T CA -0.601 61.399 62.100 -0.167 0.000 0.988 915 T CB 1.320 70.086 68.868 -0.171 0.000 1.040 915 T HN 0.560 nan 8.240 nan 0.000 0.528 916 S N 0.911 116.578 115.700 -0.056 0.000 2.365 916 S HA -0.144 4.325 4.470 -0.001 0.000 0.225 916 S C 2.486 177.100 174.600 0.023 0.000 1.039 916 S CA 1.292 59.492 58.200 0.000 0.000 1.033 916 S CB -1.085 62.101 63.200 -0.022 0.000 0.887 916 S HN 0.905 nan 8.310 nan 0.000 0.447 917 A N 1.466 124.275 122.820 -0.017 0.000 1.902 917 A HA 0.146 4.465 4.320 -0.001 0.000 0.217 917 A C 2.366 179.948 177.584 -0.003 0.000 1.181 917 A CA 1.697 53.727 52.037 -0.012 0.000 0.623 917 A CB -1.055 17.928 19.000 -0.029 0.000 0.818 917 A HN 0.534 nan 8.150 nan 0.000 0.443 918 A N -1.390 121.416 122.820 -0.025 0.000 1.930 918 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 918 A C 2.112 179.730 177.584 0.057 0.000 1.175 918 A CA 1.607 53.635 52.037 -0.015 0.000 0.627 918 A CB -0.917 18.018 19.000 -0.109 0.000 0.815 918 A HN 0.782 nan 8.150 nan 0.000 0.443 919 H N -0.016 119.046 119.070 -0.013 0.000 2.326 919 H HA -0.051 4.505 4.556 -0.001 0.000 0.301 919 H C 1.842 177.213 175.328 0.072 0.000 1.081 919 H CA 1.792 57.869 56.048 0.049 0.000 1.334 919 H CB -0.033 29.752 29.762 0.038 0.000 1.385 919 H HN 0.432 nan 8.280 nan 0.000 0.504 920 K N 0.210 120.576 120.400 -0.058 0.000 2.097 920 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 920 K C 2.377 178.949 176.600 -0.047 0.000 1.049 920 K CA 0.855 57.092 56.287 -0.084 0.000 0.933 920 K CB -0.030 32.468 32.500 -0.003 0.000 0.717 920 K HN 0.267 nan 8.250 nan 0.000 0.442 921 A N 0.857 123.672 122.820 -0.007 0.000 1.902 921 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 921 A C 2.210 179.807 177.584 0.020 0.000 1.181 921 A CA 1.982 54.029 52.037 0.018 0.000 0.623 921 A CB -0.653 18.370 19.000 0.039 0.000 0.818 921 A HN 0.277 nan 8.150 nan 0.000 0.443 922 S N -0.597 115.120 115.700 0.029 0.000 2.370 922 S HA -0.249 4.221 4.470 -0.001 0.000 0.226 922 S C 2.141 176.743 174.600 0.002 0.000 1.033 922 S CA 1.787 60.021 58.200 0.056 0.000 1.011 922 S CB -0.420 62.860 63.200 0.133 0.000 0.852 922 S HN 0.676 nan 8.310 nan 0.000 0.457 923 Q N 0.578 120.333 119.800 -0.074 0.000 2.170 923 Q HA -0.093 4.247 4.340 -0.001 0.000 0.203 923 Q C 2.499 178.469 176.000 -0.049 0.000 0.976 923 Q CA 1.658 57.421 55.803 -0.067 0.000 0.858 923 Q CB -0.320 28.354 28.738 -0.107 0.000 0.907 923 Q HN 0.818 nan 8.270 nan 0.000 0.433 924 S N 0.250 115.929 115.700 -0.035 0.000 2.423 924 S HA -0.085 4.385 4.470 -0.001 0.000 0.231 924 S C 1.853 176.421 174.600 -0.054 0.000 1.014 924 S CA 0.692 58.870 58.200 -0.037 0.000 0.965 924 S CB -0.229 62.964 63.200 -0.011 0.000 0.785 924 S HN 0.282 nan 8.310 nan 0.000 0.495 925 L N 0.031 121.231 121.223 -0.038 0.000 2.127 925 L HA 0.214 4.553 4.340 -0.001 0.000 0.203 925 L C 2.547 179.369 176.870 -0.080 0.000 1.080 925 L CA 0.752 55.565 54.840 -0.046 0.000 0.768 925 L CB -0.382 41.667 42.059 -0.015 0.000 0.924 925 L HN 0.280 nan 8.230 nan 0.000 0.444 926 L N -1.142 120.039 121.223 -0.070 0.000 2.162 926 L HA 0.015 4.354 4.340 -0.001 0.000 0.205 926 L C 0.220 176.993 176.870 -0.161 0.000 1.086 926 L CA 0.833 55.621 54.840 -0.087 0.000 0.778 926 L CB 0.082 42.116 42.059 -0.042 0.000 0.928 926 L HN 0.211 nan 8.230 nan 0.000 0.446 927 D N 0.369 120.658 120.400 -0.184 0.000 2.613 927 D HA 0.231 4.871 4.640 -0.001 0.000 0.312 927 D C -2.327 173.780 176.300 -0.320 0.000 1.202 927 D CA -0.996 52.829 54.000 -0.292 0.000 0.825 927 D CB 1.250 42.065 40.800 0.025 0.000 1.113 927 D HN 0.072 nan 8.370 nan 0.000 0.502 928 P HA 0.112 nan 4.420 nan 0.000 0.274 928 P C 0.589 177.778 177.300 -0.185 0.000 1.260 928 P CA -0.494 62.462 63.100 -0.240 0.000 0.793 928 P CB 1.519 33.089 31.700 -0.217 0.000 1.048 929 L N 0.803 121.969 121.223 -0.094 0.000 2.514 929 L HA 0.070 4.410 4.340 -0.001 0.000 0.280 929 L C 0.921 177.785 176.870 -0.010 0.000 1.223 929 L CA 0.448 55.273 54.840 -0.026 0.000 0.864 929 L CB -0.341 41.714 42.059 -0.007 0.000 1.118 929 L HN 0.286 nan 8.230 nan 0.000 0.494 930 D N 3.244 123.702 120.400 0.096 0.000 2.225 930 D HA 0.341 4.981 4.640 -0.001 0.000 0.249 930 D C -0.319 175.966 176.300 -0.024 0.000 1.052 930 D CA -0.282 53.713 54.000 -0.009 0.000 0.909 930 D CB 1.658 42.499 40.800 0.068 0.000 1.186 930 D HN 0.372 nan 8.370 nan 0.000 0.431 931 K N 1.223 121.478 120.400 -0.241 0.000 2.345 931 K HA 0.479 4.799 4.320 -0.001 0.000 0.255 931 K C -1.068 175.422 176.600 -0.184 0.000 0.934 931 K CA -0.658 55.620 56.287 -0.015 0.000 0.801 931 K CB 1.637 34.098 32.500 -0.065 0.000 1.137 931 K HN 0.227 nan 8.250 nan 0.000 0.424 932 F N 2.541 122.660 119.950 0.282 0.000 2.529 932 F HA 0.497 5.023 4.527 -0.001 0.000 0.320 932 F C -0.043 176.035 175.800 0.463 0.000 1.118 932 F CA -0.860 57.301 58.000 0.268 0.000 0.915 932 F CB 1.309 40.278 39.000 -0.053 0.000 1.161 932 F HN 0.197 nan 8.300 nan 0.000 0.445 933 I N 3.563 124.515 120.570 0.636 0.000 2.362 933 I HA 0.220 4.390 4.170 -0.001 0.000 0.289 933 I C -0.581 175.829 176.117 0.488 0.000 0.994 933 I CA -0.834 60.767 61.300 0.502 0.000 1.158 933 I CB 1.249 39.444 38.000 0.326 0.000 1.315 933 I HN 0.439 nan 8.210 nan 0.000 0.451 934 F N 5.819 125.934 119.950 0.275 0.000 2.578 934 F HA 0.199 4.726 4.527 -0.001 0.000 0.376 934 F C 1.201 176.919 175.800 -0.137 0.000 1.085 934 F CA 0.110 57.968 58.000 -0.236 0.000 1.260 934 F CB 1.193 40.078 39.000 -0.190 0.000 1.095 934 F HN 0.607 nan 8.300 nan 0.000 0.573 935 A N 4.510 126.768 122.820 -0.936 0.000 1.898 935 A HA 0.021 4.340 4.320 -0.001 0.000 0.214 935 A C 0.972 178.295 177.584 -0.435 0.000 1.183 935 A CA 0.633 52.343 52.037 -0.546 0.000 0.622 935 A CB -0.532 18.131 19.000 -0.561 0.000 0.824 935 A HN 0.800 nan 8.150 nan 0.000 0.444 936 E N -0.425 119.362 120.200 -0.689 0.000 2.385 936 E HA 0.156 4.506 4.350 -0.001 0.000 0.254 936 E C 0.286 176.970 176.600 0.140 0.000 1.228 936 E CA -0.535 55.757 56.400 -0.179 0.000 0.956 936 E CB 0.230 29.874 29.700 -0.094 0.000 1.116 936 E HN 0.231 nan 8.360 nan 0.000 0.507 937 N N 0.455 119.257 118.700 0.171 0.000 2.216 937 N HA -0.079 4.660 4.740 -0.001 0.000 0.183 937 N C -0.287 175.374 175.510 0.252 0.000 1.017 937 N CA 0.929 54.095 53.050 0.194 0.000 0.861 937 N CB 0.206 38.764 38.487 0.119 0.000 0.986 937 N HN 0.436 nan 8.380 nan 0.000 0.428 938 E N -0.734 119.638 120.200 0.287 0.000 2.256 938 E HA 0.117 4.466 4.350 -0.001 0.000 0.268 938 E C -1.528 175.190 176.600 0.196 0.000 0.877 938 E CA -0.710 55.797 56.400 0.178 0.000 0.757 938 E CB 1.250 31.012 29.700 0.103 0.000 1.183 938 E HN 0.005 nan 8.360 nan 0.000 0.418 939 W N 8.014 129.038 121.300 -0.460 0.000 2.295 939 W HA 0.398 5.058 4.660 -0.001 0.000 0.333 939 W C -1.261 175.071 176.519 -0.311 0.000 0.990 939 W CA -1.456 55.457 57.345 -0.719 0.000 1.453 939 W CB -0.114 28.394 29.460 -1.587 0.000 1.263 939 W HN 0.459 nan 8.180 nan 0.000 0.380 940 I N 6.109 126.790 120.570 0.186 0.000 2.533 940 I HA 0.230 4.400 4.170 -0.001 0.000 0.284 940 I C 1.475 177.607 176.117 0.026 0.000 1.109 940 I CA 1.044 62.380 61.300 0.060 0.000 1.412 940 I CB 0.410 38.469 38.000 0.098 0.000 1.396 940 I HN 0.777 nan 8.210 nan 0.000 0.543 941 G N 4.311 113.035 108.800 -0.128 0.000 2.141 941 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.242 941 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.242 941 G C 0.365 175.043 174.900 -0.369 0.000 0.982 941 G CA -0.102 44.908 45.100 -0.151 0.000 0.662 941 G HN 0.986 nan 8.290 nan 0.000 0.527 942 A N -0.366 121.973 122.820 -0.801 0.000 2.498 942 A HA 0.603 4.923 4.320 -0.001 0.000 0.239 942 A C 0.550 177.717 177.584 -0.695 0.000 1.068 942 A CA 0.697 51.896 52.037 -1.396 0.000 0.766 942 A CB 0.290 18.110 19.000 -1.967 0.000 1.003 942 A HN 0.613 nan 8.150 nan 0.000 0.497 943 Q N 0.607 120.079 119.800 -0.547 0.000 2.351 943 Q HA 0.528 4.868 4.340 -0.001 0.000 0.273 943 Q C 1.010 176.890 176.000 -0.201 0.000 1.077 943 Q CA -0.224 55.418 55.803 -0.268 0.000 0.843 943 Q CB 1.940 30.588 28.738 -0.149 0.000 1.367 943 Q HN 0.798 nan 8.270 nan 0.000 0.449 944 G N 0.058 108.778 108.800 -0.135 0.000 2.744 944 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.211 944 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.211 944 G C 0.158 175.022 174.900 -0.060 0.000 1.146 944 G CA 0.502 45.537 45.100 -0.110 0.000 0.787 944 G HN 0.433 nan 8.290 nan 0.000 0.534 945 Q N -1.317 118.466 119.800 -0.030 0.000 2.527 945 Q HA 0.516 4.855 4.340 -0.001 0.000 0.280 945 Q C -2.387 173.625 176.000 0.021 0.000 0.977 945 Q CA -0.913 54.887 55.803 -0.006 0.000 0.837 945 Q CB 2.151 30.870 28.738 -0.032 0.000 1.454 945 Q HN 0.040 nan 8.270 nan 0.000 0.387 946 F N 1.141 120.992 119.950 -0.166 0.000 2.569 946 F HA 0.652 5.179 4.527 -0.001 0.000 0.312 946 F C 0.489 176.033 175.800 -0.426 0.000 1.109 946 F CA 0.441 58.276 58.000 -0.276 0.000 0.919 946 F CB 2.075 40.922 39.000 -0.255 0.000 1.211 946 F HN 0.671 nan 8.300 nan 0.000 0.446 947 G N 2.993 110.776 108.800 -1.695 0.000 2.157 947 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.239 947 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.239 947 G C 1.039 175.248 174.900 -1.152 0.000 0.982 947 G CA 0.243 44.081 45.100 -2.103 0.000 0.650 947 G HN 1.577 nan 8.290 nan 0.000 0.527 948 G N 1.173 109.597 108.800 -0.626 0.000 2.479 948 G HA2 0.018 3.977 3.960 -0.001 0.000 0.220 948 G HA3 0.018 3.977 3.960 -0.001 0.000 0.220 948 G C 1.217 176.044 174.900 -0.121 0.000 1.115 948 G CA 1.775 46.739 45.100 -0.226 0.000 0.757 948 G HN 0.834 nan 8.290 nan 0.000 0.560 949 D N -0.781 119.470 120.400 -0.249 0.000 2.340 949 D HA 0.024 4.664 4.640 -0.001 0.000 0.217 949 D C 0.327 176.623 176.300 -0.007 0.000 1.081 949 D CA -0.470 53.477 54.000 -0.088 0.000 0.842 949 D CB -0.868 39.886 40.800 -0.076 0.000 0.934 949 D HN 0.455 nan 8.370 nan 0.000 0.511 950 H N 0.970 119.931 119.070 -0.182 0.000 2.732 950 H HA 0.246 4.801 4.556 -0.001 0.000 0.351 950 H C -1.999 173.295 175.328 -0.056 0.000 1.090 950 H CA -1.785 54.179 56.048 -0.139 0.000 1.431 950 H CB 0.684 30.312 29.762 -0.223 0.000 1.447 950 H HN -0.021 nan 8.280 nan 0.000 0.582 951 P HA -0.048 nan 4.420 nan 0.000 0.268 951 P C -0.645 176.720 177.300 0.109 0.000 1.205 951 P CA 0.061 63.219 63.100 0.097 0.000 0.771 951 P CB 0.758 32.495 31.700 0.062 0.000 0.858 952 S N 2.215 118.013 115.700 0.163 0.000 2.434 952 S HA 0.589 5.059 4.470 -0.001 0.000 0.318 952 S C -0.050 174.665 174.600 0.191 0.000 1.062 952 S CA -0.566 57.764 58.200 0.216 0.000 1.116 952 S CB -0.605 62.833 63.200 0.397 0.000 0.977 952 S HN 0.485 nan 8.310 nan 0.000 0.480 953 A N 4.511 127.437 122.820 0.178 0.000 2.304 953 A HA 0.535 4.854 4.320 -0.001 0.000 0.271 953 A C 0.533 178.202 177.584 0.140 0.000 1.091 953 A CA -0.595 51.527 52.037 0.142 0.000 0.812 953 A CB 0.250 19.329 19.000 0.132 0.000 1.056 953 A HN 0.914 nan 8.150 nan 0.000 0.489 954 R N 0.032 120.585 120.500 0.088 0.000 2.697 954 R HA -0.043 4.297 4.340 -0.001 0.000 0.265 954 R C 1.433 177.762 176.300 0.048 0.000 1.009 954 R CA 0.988 57.118 56.100 0.050 0.000 1.099 954 R CB 0.330 30.642 30.300 0.019 0.000 0.965 954 R HN 0.921 nan 8.270 nan 0.000 0.428 955 E N 1.626 121.818 120.200 -0.014 0.000 2.204 955 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 955 E C 0.372 177.017 176.600 0.074 0.000 0.990 955 E CA 1.526 57.895 56.400 -0.052 0.000 0.821 955 E CB -0.068 29.575 29.700 -0.095 0.000 0.750 955 E HN 0.761 nan 8.360 nan 0.000 0.477 956 D N 0.637 121.043 120.400 0.010 0.000 2.349 956 D HA -0.017 4.623 4.640 -0.001 0.000 0.224 956 D C 0.377 176.685 176.300 0.014 0.000 1.029 956 D CA -0.063 53.904 54.000 -0.056 0.000 0.879 956 D CB -0.043 40.665 40.800 -0.154 0.000 0.906 956 D HN 0.170 nan 8.370 nan 0.000 0.528 957 L N 0.793 122.071 121.223 0.091 0.000 2.307 957 L HA 0.507 4.847 4.340 -0.001 0.000 0.282 957 L C -1.040 175.964 176.870 0.223 0.000 1.051 957 L CA -0.414 54.497 54.840 0.118 0.000 0.804 957 L CB 1.596 43.715 42.059 0.099 0.000 1.197 957 L HN -0.206 nan 8.230 nan 0.000 0.431 958 D N 2.315 122.865 120.400 0.251 0.000 2.671 958 D HA 0.357 4.996 4.640 -0.001 0.000 0.232 958 D C -1.323 175.143 176.300 0.276 0.000 1.114 958 D CA -0.269 53.903 54.000 0.287 0.000 0.858 958 D CB 2.396 43.414 40.800 0.363 0.000 1.544 958 D HN 0.222 nan 8.370 nan 0.000 0.471 959 V N 3.517 123.571 119.914 0.233 0.000 2.267 959 V HA 0.122 4.241 4.120 -0.001 0.000 0.254 959 V C 1.307 177.542 176.094 0.234 0.000 1.144 959 V CA -0.008 62.440 62.300 0.247 0.000 0.992 959 V CB 0.413 32.368 31.823 0.219 0.000 1.199 959 V HN 0.589 nan 8.190 nan 0.000 0.493 960 S N 3.083 118.950 115.700 0.277 0.000 2.382 960 S HA -0.021 4.448 4.470 -0.001 0.000 0.228 960 S C 0.672 175.334 174.600 0.105 0.000 1.027 960 S CA 0.892 59.210 58.200 0.196 0.000 0.991 960 S CB 0.155 63.521 63.200 0.277 0.000 0.823 960 S HN 0.498 nan 8.310 nan 0.000 0.469 961 V N 1.430 121.444 119.914 0.166 0.000 2.760 961 V HA 0.532 4.652 4.120 -0.001 0.000 0.309 961 V C -0.774 175.401 176.094 0.135 0.000 1.077 961 V CA -0.572 61.803 62.300 0.124 0.000 0.910 961 V CB 1.912 33.832 31.823 0.160 0.000 1.008 961 V HN 0.371 nan 8.190 nan 0.000 0.424 962 M N 5.464 125.065 119.600 0.002 0.000 2.204 962 M HA 0.684 5.164 4.480 -0.001 0.000 0.293 962 M C -1.087 175.054 176.300 -0.265 0.000 0.994 962 M CA -0.491 54.681 55.300 -0.213 0.000 0.925 962 M CB 1.526 34.007 32.600 -0.198 0.000 1.577 962 M HN 0.747 nan 8.290 nan 0.000 0.439 963 R N 4.087 124.356 120.500 -0.384 0.000 2.510 963 R HA 0.424 4.764 4.340 -0.001 0.000 0.287 963 R C -1.405 174.668 176.300 -0.378 0.000 1.084 963 R CA -0.680 55.242 56.100 -0.296 0.000 0.934 963 R CB 1.832 32.035 30.300 -0.162 0.000 1.201 963 R HN 0.907 nan 8.270 nan 0.000 0.431 964 R N 4.365 124.698 120.500 -0.278 0.000 2.442 964 R HA 0.137 4.477 4.340 -0.001 0.000 0.291 964 R C 0.229 176.414 176.300 -0.191 0.000 1.069 964 R CA 0.077 56.038 56.100 -0.232 0.000 1.022 964 R CB 0.630 30.851 30.300 -0.132 0.000 0.976 964 R HN 0.701 nan 8.270 nan 0.000 0.443 965 L N 2.893 123.995 121.223 -0.201 0.000 2.616 965 L HA 0.145 4.484 4.340 -0.001 0.000 0.229 965 L C 0.300 177.115 176.870 -0.093 0.000 1.110 965 L CA 0.060 54.802 54.840 -0.165 0.000 0.884 965 L CB 0.431 42.358 42.059 -0.219 0.000 1.115 965 L HN 0.722 nan 8.230 nan 0.000 0.481 966 T N -2.687 111.824 114.554 -0.071 0.000 2.887 966 T HA 0.448 4.797 4.350 -0.001 0.000 0.288 966 T C -0.248 174.442 174.700 -0.017 0.000 1.021 966 T CA -0.919 61.158 62.100 -0.039 0.000 1.000 966 T CB 2.426 71.276 68.868 -0.030 0.000 1.034 966 T HN -0.089 nan 8.240 nan 0.000 0.467 967 K N 0.910 121.306 120.400 -0.006 0.000 2.102 967 K HA 0.327 4.647 4.320 -0.001 0.000 0.244 967 K C 1.631 178.243 176.600 0.020 0.000 1.021 967 K CA -0.268 56.027 56.287 0.013 0.000 0.913 967 K CB 0.558 33.064 32.500 0.010 0.000 1.062 967 K HN 0.803 nan 8.250 nan 0.000 0.485 968 S N -0.462 115.258 115.700 0.034 0.000 2.447 968 S HA -0.109 4.360 4.470 -0.001 0.000 0.233 968 S C 1.615 176.228 174.600 0.021 0.000 1.006 968 S CA 1.129 59.348 58.200 0.032 0.000 0.957 968 S CB -0.073 63.153 63.200 0.043 0.000 0.773 968 S HN 0.456 nan 8.310 nan 0.000 0.507 969 S N 1.743 117.454 115.700 0.018 0.000 2.515 969 S HA 0.366 4.836 4.470 -0.001 0.000 0.231 969 S C 0.962 175.566 174.600 0.008 0.000 0.987 969 S CA 0.471 58.678 58.200 0.013 0.000 0.936 969 S CB -0.430 62.777 63.200 0.012 0.000 0.766 969 S HN 0.798 nan 8.310 nan 0.000 0.528 970 A N 1.707 124.530 122.820 0.004 0.000 2.404 970 A HA 0.261 4.581 4.320 -0.001 0.000 0.273 970 A C 1.273 178.859 177.584 0.004 0.000 1.144 970 A CA -0.302 51.735 52.037 -0.000 0.000 0.806 970 A CB 0.193 19.189 19.000 -0.007 0.000 1.080 970 A HN 0.339 nan 8.150 nan 0.000 0.509 971 K N 1.824 122.225 120.400 0.002 0.000 2.063 971 K HA -0.096 4.224 4.320 -0.001 0.000 0.208 971 K C 0.029 176.634 176.600 0.009 0.000 1.048 971 K CA 1.626 57.916 56.287 0.005 0.000 0.928 971 K CB -0.024 32.477 32.500 0.002 0.000 0.713 971 K HN 0.656 nan 8.250 nan 0.000 0.442 972 T N 2.478 117.034 114.554 0.003 0.000 2.753 972 T HA 0.186 4.535 4.350 -0.001 0.000 0.297 972 T C -0.775 173.934 174.700 0.014 0.000 0.981 972 T CA -0.679 61.424 62.100 0.006 0.000 0.956 972 T CB 1.471 70.331 68.868 -0.014 0.000 0.936 972 T HN 0.080 nan 8.240 nan 0.000 0.463 973 Q N 2.681 122.508 119.800 0.045 0.000 2.340 973 Q HA 0.424 4.764 4.340 -0.001 0.000 0.249 973 Q C 0.074 176.120 176.000 0.077 0.000 0.957 973 Q CA -0.016 55.817 55.803 0.050 0.000 0.882 973 Q CB 1.361 30.132 28.738 0.056 0.000 1.235 973 Q HN 0.548 nan 8.270 nan 0.000 0.439 974 R N 0.241 120.754 120.500 0.022 0.000 2.628 974 R HA 0.652 4.992 4.340 -0.001 0.000 0.288 974 R C -1.123 175.126 176.300 -0.085 0.000 0.980 974 R CA -0.649 55.448 56.100 -0.006 0.000 0.891 974 R CB 1.874 32.136 30.300 -0.063 0.000 1.188 974 R HN 0.256 nan 8.270 nan 0.000 0.450 975 V N 1.470 121.328 119.914 -0.093 0.000 2.531 975 V HA 0.601 4.720 4.120 -0.001 0.000 0.301 975 V C 0.160 175.976 176.094 -0.463 0.000 1.034 975 V CA -0.845 61.268 62.300 -0.311 0.000 0.865 975 V CB 2.058 33.703 31.823 -0.297 0.000 0.995 975 V HN 0.945 nan 8.190 nan 0.000 0.424 976 G N 2.950 111.281 108.800 -0.781 0.000 2.371 976 G HA2 0.668 4.628 3.960 -0.001 0.000 0.326 976 G HA3 0.668 4.628 3.960 -0.001 0.000 0.326 976 G C -1.655 172.831 174.900 -0.690 0.000 1.127 976 G CA -0.297 44.202 45.100 -1.003 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.327 120.731 120.300 0.174 0.000 2.442 977 Y HA 0.466 5.016 4.550 -0.001 0.000 0.344 977 Y C -0.155 176.014 175.900 0.447 0.000 0.976 977 Y CA -0.908 57.371 58.100 0.298 0.000 1.040 977 Y CB 2.783 41.385 38.460 0.236 0.000 1.228 977 Y HN 0.347 nan 8.280 nan 0.000 0.451 978 V N 5.094 125.302 119.914 0.490 0.000 2.384 978 V HA 0.356 4.475 4.120 -0.001 0.000 0.287 978 V C -0.607 175.714 176.094 0.378 0.000 1.020 978 V CA -0.716 61.795 62.300 0.352 0.000 0.850 978 V CB 1.365 33.349 31.823 0.268 0.000 0.987 978 V HN 0.544 nan 8.190 nan 0.000 0.436 979 L N 4.828 126.260 121.223 0.349 0.000 2.296 979 L HA 0.555 4.895 4.340 -0.001 0.000 0.286 979 L C -0.701 176.368 176.870 0.332 0.000 1.023 979 L CA -0.324 54.717 54.840 0.335 0.000 0.812 979 L CB 1.454 43.710 42.059 0.328 0.000 1.223 979 L HN 0.776 nan 8.230 nan 0.000 0.421 980 H N 4.004 123.232 119.070 0.262 0.000 2.547 980 H HA 0.444 4.999 4.556 -0.001 0.000 0.342 980 H C -0.829 174.592 175.328 0.156 0.000 1.048 980 H CA -0.536 55.639 56.048 0.211 0.000 1.204 980 H CB 1.419 31.380 29.762 0.332 0.000 1.493 980 H HN 0.504 nan 8.280 nan 0.000 0.511 981 R N 4.325 124.467 120.500 -0.597 0.000 2.343 981 R HA 0.306 4.646 4.340 -0.001 0.000 0.320 981 R C -0.337 175.542 176.300 -0.701 0.000 0.956 981 R CA -0.465 55.365 56.100 -0.450 0.000 0.836 981 R CB 1.283 31.451 30.300 -0.220 0.000 1.151 981 R HN 0.767 nan 8.270 nan 0.000 0.450 982 T N 1.531 115.828 114.554 -0.429 0.000 2.833 982 T HA 0.187 4.536 4.350 -0.001 0.000 0.292 982 T C -0.523 174.009 174.700 -0.280 0.000 1.031 982 T CA -0.439 61.501 62.100 -0.266 0.000 0.937 982 T CB 0.589 69.372 68.868 -0.141 0.000 1.256 982 T HN 0.677 nan 8.240 nan 0.000 0.551 983 N N 0.563 119.122 118.700 -0.235 0.000 2.410 983 N HA 0.466 5.206 4.740 -0.001 0.000 0.287 983 N C -1.503 173.856 175.510 -0.251 0.000 1.044 983 N CA -0.481 52.373 53.050 -0.328 0.000 0.881 983 N CB 0.684 38.821 38.487 -0.583 0.000 1.405 983 N HN 0.467 nan 8.380 nan 0.000 0.490 984 L N 2.829 123.900 121.223 -0.254 0.000 2.325 984 L HA 0.539 4.879 4.340 -0.001 0.000 0.278 984 L C 0.509 177.263 176.870 -0.194 0.000 1.023 984 L CA -0.945 53.780 54.840 -0.191 0.000 0.811 984 L CB 1.604 43.561 42.059 -0.171 0.000 1.249 984 L HN 0.393 nan 8.230 nan 0.000 0.431 985 M N 1.993 121.498 119.600 -0.159 0.000 2.249 985 M HA 0.085 4.565 4.480 -0.001 0.000 0.340 985 M C -0.122 176.096 176.300 -0.137 0.000 1.166 985 M CA 0.316 55.524 55.300 -0.154 0.000 1.115 985 M CB 0.317 32.833 32.600 -0.141 0.000 1.606 985 M HN 0.533 nan 8.290 nan 0.000 0.448 986 Q N 1.494 121.216 119.800 -0.129 0.000 2.314 986 Q HA 0.190 4.530 4.340 -0.001 0.000 0.257 986 Q C -0.349 175.597 176.000 -0.092 0.000 0.975 986 Q CA -0.291 55.449 55.803 -0.106 0.000 0.933 986 Q CB 0.787 29.466 28.738 -0.099 0.000 1.195 986 Q HN 0.786 nan 8.270 nan 0.000 0.426 987 c N 1.374 119.923 118.600 -0.085 0.000 3.240 987 c HA 0.394 4.964 4.570 -0.001 0.000 0.271 987 c C 1.243 175.294 174.090 -0.064 0.000 1.534 987 c CA -0.065 56.218 56.329 -0.076 0.000 1.796 987 c CB -0.446 42.013 42.510 -0.084 0.000 2.892 987 c HN 1.134 nan 8.230 nan 0.000 0.566 988 G N 1.249 110.012 108.800 -0.062 0.000 2.159 988 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.227 988 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.227 988 G C 0.002 174.870 174.900 -0.054 0.000 0.986 988 G CA 0.298 45.366 45.100 -0.054 0.000 0.651 988 G HN 0.432 nan 8.290 nan 0.000 0.523 989 T N 3.017 117.536 114.554 -0.059 0.000 2.729 989 T HA 0.507 4.857 4.350 -0.001 0.000 0.296 989 T C -1.610 173.051 174.700 -0.066 0.000 0.928 989 T CA -0.566 61.499 62.100 -0.060 0.000 1.045 989 T CB 1.465 70.297 68.868 -0.060 0.000 0.902 989 T HN 0.195 nan 8.240 nan 0.000 0.500 990 P HA 0.051 nan 4.420 nan 0.000 0.264 990 P C 0.921 178.167 177.300 -0.090 0.000 1.179 990 P CA -0.097 62.960 63.100 -0.073 0.000 0.763 990 P CB 0.815 32.471 31.700 -0.072 0.000 0.806 991 E N 2.922 123.069 120.200 -0.090 0.000 2.001 991 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 991 E C -0.042 176.473 176.600 -0.143 0.000 0.994 991 E CA 1.315 57.656 56.400 -0.097 0.000 0.815 991 E CB -0.050 29.604 29.700 -0.076 0.000 0.770 991 E HN 0.647 nan 8.360 nan 0.000 0.453 992 E N -1.925 118.176 120.200 -0.165 0.000 9.129 992 E HA -0.297 4.052 4.350 -0.001 0.000 0.468 992 E C 0.031 176.515 176.600 -0.194 0.000 1.365 992 E CA 1.323 57.551 56.400 -0.286 0.000 2.372 992 E CB -1.476 27.859 29.700 -0.608 0.000 1.025 992 E HN 0.642 nan 8.360 nan 0.000 0.292 993 H N -0.409 118.657 119.070 -0.006 0.000 1.452 993 H HA -0.303 4.252 4.556 -0.001 0.000 0.090 993 H C 0.589 175.924 175.328 0.012 0.000 1.091 993 H CA 3.173 59.223 56.048 0.003 0.000 1.901 993 H CB -1.667 28.100 29.762 0.009 0.000 2.257 993 H HN 2.143 nan 8.280 nan 0.000 0.961 994 T N -1.658 113.038 114.554 0.236 0.000 0.541 994 T HA -0.223 4.127 4.350 -0.001 0.000 0.774 994 T C -0.575 174.184 174.700 0.098 0.000 0.992 994 T CA 0.882 63.069 62.100 0.143 0.000 4.077 994 T CB -0.418 68.514 68.868 0.107 0.000 2.303 994 T HN 0.692 nan 8.240 nan 0.000 0.398 995 Q N 1.489 121.344 119.800 0.092 0.000 2.226 995 Q HA 0.545 4.884 4.340 -0.001 0.000 0.256 995 Q C 0.301 176.331 176.000 0.050 0.000 0.962 995 Q CA -1.175 54.666 55.803 0.063 0.000 0.887 995 Q CB 1.555 30.333 28.738 0.067 0.000 1.282 995 Q HN 0.786 nan 8.270 nan 0.000 0.449 996 K N 1.629 122.044 120.400 0.026 0.000 2.401 996 K HA 0.119 4.439 4.320 -0.001 0.000 0.278 996 K C -1.059 175.545 176.600 0.008 0.000 1.018 996 K CA -0.302 55.992 56.287 0.011 0.000 0.981 996 K CB 0.393 32.888 32.500 -0.008 0.000 0.933 996 K HN 0.431 nan 8.250 nan 0.000 0.477 997 L N 4.553 125.778 121.223 0.003 0.000 2.280 997 L HA 0.302 4.642 4.340 -0.001 0.000 0.287 997 L C -1.267 175.569 176.870 -0.056 0.000 1.023 997 L CA -0.084 54.750 54.840 -0.011 0.000 0.819 997 L CB 1.250 43.315 42.059 0.011 0.000 1.212 997 L HN 0.650 nan 8.230 nan 0.000 0.420 998 D N 3.575 123.933 120.400 -0.069 0.000 2.472 998 D HA 0.167 4.807 4.640 -0.001 0.000 0.234 998 D C 1.055 177.264 176.300 -0.153 0.000 1.088 998 D CA -0.290 53.648 54.000 -0.103 0.000 0.882 998 D CB 1.277 42.061 40.800 -0.027 0.000 1.037 998 D HN 0.385 nan 8.370 nan 0.000 0.520 999 V N 1.373 121.100 119.914 -0.312 0.000 2.720 999 V HA -0.164 3.956 4.120 -0.001 0.000 0.256 999 V C 2.121 177.913 176.094 -0.503 0.000 1.082 999 V CA 1.007 62.944 62.300 -0.606 0.000 1.101 999 V CB -1.083 30.090 31.823 -1.084 0.000 0.693 999 V HN 0.608 nan 8.190 nan 0.000 0.479 1000 c N 0.581 119.024 118.600 -0.262 0.000 2.437 1000 c HA 0.018 4.587 4.570 -0.001 0.000 0.283 1000 c C 2.127 176.120 174.090 -0.162 0.000 1.424 1000 c CA 1.238 57.481 56.329 -0.143 0.000 1.782 1000 c CB -1.763 40.655 42.510 -0.152 0.000 1.833 1000 c HN 0.768 nan 8.230 nan 0.000 0.532 1001 H N -1.000 118.055 119.070 -0.026 0.000 2.542 1001 H HA 0.262 4.817 4.556 -0.001 0.000 0.283 1001 H C 1.717 177.082 175.328 0.061 0.000 1.059 1001 H CA -0.011 56.061 56.048 0.039 0.000 1.162 1001 H CB 0.054 29.820 29.762 0.007 0.000 1.539 1001 H HN 0.338 nan 8.280 nan 0.000 0.543 1002 L N -0.129 121.154 121.223 0.100 0.000 2.141 1002 L HA -0.034 4.306 4.340 -0.001 0.000 0.209 1002 L C 0.181 177.195 176.870 0.240 0.000 1.094 1002 L CA 0.909 55.835 54.840 0.143 0.000 0.763 1002 L CB 0.082 42.195 42.059 0.090 0.000 0.908 1002 L HN 0.205 nan 8.230 nan 0.000 0.437 1003 L N -0.033 121.291 121.223 0.169 0.000 2.331 1003 L HA 0.384 4.724 4.340 -0.001 0.000 0.275 1003 L C -2.048 174.877 176.870 0.092 0.000 1.022 1003 L CA -1.983 52.888 54.840 0.051 0.000 0.812 1003 L CB 1.480 43.337 42.059 -0.337 0.000 1.257 1003 L HN -0.200 nan 8.230 nan 0.000 0.435 1004 P HA 0.125 nan 4.420 nan 0.000 0.274 1004 P C -0.882 176.538 177.300 0.199 0.000 1.256 1004 P CA -0.279 62.898 63.100 0.128 0.000 0.795 1004 P CB 0.379 32.129 31.700 0.083 0.000 1.038 1005 N N -3.211 115.584 118.700 0.157 0.000 2.740 1005 N HA -0.152 4.588 4.740 -0.001 0.000 0.248 1005 N C 0.002 175.588 175.510 0.127 0.000 1.062 1005 N CA 0.104 53.235 53.050 0.134 0.000 0.704 1005 N CB -2.003 36.553 38.487 0.116 0.000 0.968 1005 N HN 0.257 nan 8.380 nan 0.000 0.547 1006 V N -0.030 119.914 119.914 0.049 0.000 2.585 1006 V HA 0.401 4.520 4.120 -0.001 0.000 0.296 1006 V C 1.193 177.188 176.094 -0.164 0.000 1.035 1006 V CA 1.062 63.224 62.300 -0.229 0.000 1.084 1006 V CB 1.189 32.780 31.823 -0.388 0.000 0.953 1006 V HN 0.440 nan 8.190 nan 0.000 0.483 1007 A N 7.052 129.750 122.820 -0.204 0.000 2.192 1007 A HA 0.478 4.797 4.320 -0.001 0.000 0.208 1007 A C 0.971 178.510 177.584 -0.075 0.000 1.220 1007 A CA 0.043 52.020 52.037 -0.099 0.000 0.900 1007 A CB 0.248 19.203 19.000 -0.076 0.000 0.937 1007 A HN 0.768 nan 8.150 nan 0.000 0.487 1008 R N -1.675 118.753 120.500 -0.121 0.000 2.634 1008 R HA 0.474 4.813 4.340 -0.001 0.000 0.263 1008 R C -2.323 173.946 176.300 -0.051 0.000 1.060 1008 R CA -0.343 55.740 56.100 -0.029 0.000 0.898 1008 R CB 1.448 31.721 30.300 -0.046 0.000 1.253 1008 R HN 0.300 nan 8.270 nan 0.000 0.461 1009 c N 2.657 121.287 118.600 0.050 0.000 2.431 1009 c HA 0.629 5.198 4.570 -0.001 0.000 0.321 1009 c C -1.170 173.016 174.090 0.160 0.000 1.202 1009 c CA -0.191 56.172 56.329 0.057 0.000 1.398 1009 c CB 1.263 43.773 42.510 0.001 0.000 2.047 1009 c HN 0.923 nan 8.230 nan 0.000 0.465 1010 E N 2.900 123.212 120.200 0.188 0.000 2.266 1010 E HA 0.438 4.787 4.350 -0.001 0.000 0.268 1010 E C -0.981 175.792 176.600 0.287 0.000 0.879 1010 E CA -0.591 55.935 56.400 0.212 0.000 0.762 1010 E CB 1.882 31.662 29.700 0.133 0.000 1.199 1010 E HN 0.655 nan 8.360 nan 0.000 0.422 1011 R N 1.479 122.134 120.500 0.258 0.000 2.390 1011 R HA 0.339 4.679 4.340 -0.001 0.000 0.291 1011 R C -0.478 175.856 176.300 0.057 0.000 1.070 1011 R CA 0.121 56.298 56.100 0.130 0.000 1.014 1011 R CB 0.645 30.996 30.300 0.085 0.000 1.007 1011 R HN 0.683 nan 8.270 nan 0.000 0.466 1012 T N -0.299 114.262 114.554 0.011 0.000 2.864 1012 T HA 0.360 4.710 4.350 -0.001 0.000 0.289 1012 T C 0.103 174.784 174.700 -0.031 0.000 1.082 1012 T CA -0.772 61.352 62.100 0.040 0.000 1.009 1012 T CB 1.355 70.315 68.868 0.154 0.000 1.234 1012 T HN 0.622 nan 8.240 nan 0.000 0.526 1013 T N 0.148 114.687 114.554 -0.025 0.000 2.791 1013 T HA 0.200 4.549 4.350 -0.001 0.000 0.323 1013 T C 1.596 176.209 174.700 -0.144 0.000 1.082 1013 T CA -0.671 61.391 62.100 -0.063 0.000 1.084 1013 T CB -0.070 68.778 68.868 -0.032 0.000 0.992 1013 T HN 0.563 nan 8.240 nan 0.000 0.547 1014 L N 0.970 122.093 121.223 -0.167 0.000 2.362 1014 L HA -0.029 4.311 4.340 -0.001 0.000 0.219 1014 L C 2.862 179.438 176.870 -0.490 0.000 1.134 1014 L CA 1.396 56.067 54.840 -0.281 0.000 0.807 1014 L CB -1.021 40.959 42.059 -0.132 0.000 0.927 1014 L HN 0.985 nan 8.230 nan 0.000 0.447 1015 T N -4.661 109.715 114.554 -0.297 0.000 3.129 1015 T HA 0.021 4.371 4.350 -0.001 0.000 0.251 1015 T C 0.848 175.452 174.700 -0.160 0.000 1.117 1015 T CA -0.147 61.816 62.100 -0.228 0.000 1.034 1015 T CB -0.323 68.531 68.868 -0.024 0.000 0.968 1015 T HN 0.326 nan 8.240 nan 0.000 0.526 1016 F N -0.865 119.096 119.950 0.019 0.000 2.794 1016 F HA -0.219 4.307 4.527 -0.001 0.000 0.335 1016 F C 1.105 176.904 175.800 -0.002 0.000 0.653 1016 F CA 0.180 58.184 58.000 0.006 0.000 1.266 1016 F CB -2.157 36.842 39.000 -0.002 0.000 1.666 1016 F HN 0.206 nan 8.300 nan 0.000 0.314 1017 L N -0.527 120.766 121.223 0.118 0.000 2.509 1017 L HA 0.091 4.430 4.340 -0.001 0.000 0.222 1017 L C 0.979 177.870 176.870 0.035 0.000 1.123 1017 L CA 0.939 55.819 54.840 0.067 0.000 0.856 1017 L CB 0.152 42.235 42.059 0.040 0.000 0.985 1017 L HN 0.323 nan 8.230 nan 0.000 0.456 1018 Q N 0.456 120.276 119.800 0.034 0.000 2.305 1018 Q HA 0.273 4.613 4.340 -0.001 0.000 0.271 1018 Q C -1.203 174.813 176.000 0.027 0.000 1.046 1018 Q CA -0.705 55.106 55.803 0.014 0.000 0.798 1018 Q CB 1.943 30.676 28.738 -0.009 0.000 1.286 1018 Q HN 0.081 nan 8.270 nan 0.000 0.435 1019 N N 4.334 123.048 118.700 0.024 0.000 2.458 1019 N HA 0.198 4.938 4.740 -0.001 0.000 0.270 1019 N C 0.292 175.819 175.510 0.028 0.000 1.102 1019 N CA 0.199 53.270 53.050 0.035 0.000 0.967 1019 N CB 1.124 39.626 38.487 0.025 0.000 1.078 1019 N HN 0.640 nan 8.380 nan 0.000 0.471 1020 L N 0.460 121.705 121.223 0.036 0.000 2.537 1020 L HA 0.307 4.646 4.340 -0.001 0.000 0.224 1020 L C 0.602 177.502 176.870 0.049 0.000 1.065 1020 L CA 0.395 55.251 54.840 0.028 0.000 0.860 1020 L CB 0.365 42.429 42.059 0.010 0.000 1.086 1020 L HN 0.516 nan 8.230 nan 0.000 0.482 1021 E N -0.430 119.818 120.200 0.081 0.000 2.354 1021 E HA 0.139 4.488 4.350 -0.001 0.000 0.283 1021 E C -1.377 175.326 176.600 0.171 0.000 0.938 1021 E CA -0.553 55.912 56.400 0.109 0.000 0.777 1021 E CB 1.646 31.404 29.700 0.098 0.000 1.222 1021 E HN 0.113 nan 8.360 nan 0.000 0.423 1022 H N 5.814 124.910 119.070 0.044 0.000 2.604 1022 H HA 0.350 4.905 4.556 -0.001 0.000 0.306 1022 H C -0.781 174.573 175.328 0.043 0.000 1.075 1022 H CA -0.645 55.426 56.048 0.039 0.000 1.357 1022 H CB 0.698 30.473 29.762 0.022 0.000 1.426 1022 H HN 0.348 nan 8.280 nan 0.000 0.470 1023 L N 5.131 126.381 121.223 0.045 0.000 2.292 1023 L HA 0.124 4.464 4.340 -0.001 0.000 0.284 1023 L C 0.103 176.878 176.870 -0.157 0.000 1.065 1023 L CA -0.912 53.903 54.840 -0.042 0.000 0.806 1023 L CB 1.119 43.205 42.059 0.046 0.000 1.175 1023 L HN 0.677 nan 8.230 nan 0.000 0.431 1024 D N 2.589 122.906 120.400 -0.139 0.000 2.488 1024 D HA 0.132 4.772 4.640 -0.001 0.000 0.238 1024 D C 1.201 177.463 176.300 -0.063 0.000 1.138 1024 D CA 1.250 55.175 54.000 -0.125 0.000 0.873 1024 D CB 1.098 41.850 40.800 -0.080 0.000 1.183 1024 D HN 0.833 nan 8.370 nan 0.000 0.458 1025 G N 2.746 111.518 108.800 -0.047 0.000 2.180 1025 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.263 1025 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.263 1025 G C 0.751 175.694 174.900 0.072 0.000 0.989 1025 G CA 0.610 45.715 45.100 0.009 0.000 0.692 1025 G HN 0.594 nan 8.290 nan 0.000 0.526 1026 M N -2.687 116.934 119.600 0.034 0.000 2.576 1026 M HA -0.161 4.318 4.480 -0.001 0.000 0.200 1026 M C 0.304 176.652 176.300 0.081 0.000 0.487 1026 M CA 1.018 56.339 55.300 0.035 0.000 0.553 1026 M CB -1.697 30.899 32.600 -0.006 0.000 2.042 1026 M HN 0.375 nan 8.290 nan 0.000 0.758 1027 V N 0.428 120.372 119.914 0.050 0.000 2.435 1027 V HA 0.814 4.934 4.120 -0.001 0.000 0.290 1027 V C 0.581 176.607 176.094 -0.113 0.000 1.030 1027 V CA -0.502 61.810 62.300 0.019 0.000 0.881 1027 V CB 1.879 33.702 31.823 -0.000 0.000 0.983 1027 V HN 0.373 nan 8.190 nan 0.000 0.445 1028 A N 7.595 130.263 122.820 -0.254 0.000 2.260 1028 A HA 0.769 5.089 4.320 -0.001 0.000 0.312 1028 A C -2.519 174.775 177.584 -0.483 0.000 1.321 1028 A CA -1.514 50.127 52.037 -0.661 0.000 0.928 1028 A CB 0.186 18.532 19.000 -1.089 0.000 1.158 1028 A HN 0.633 nan 8.150 nan 0.000 0.542 1029 P HA 0.194 nan 4.420 nan 0.000 0.272 1029 P C -0.069 177.222 177.300 -0.016 0.000 1.223 1029 P CA -0.184 62.865 63.100 -0.085 0.000 0.784 1029 P CB 0.610 32.323 31.700 0.021 0.000 0.923 1030 E N -0.093 120.113 120.200 0.009 0.000 2.392 1030 E HA 0.248 4.597 4.350 -0.001 0.000 0.256 1030 E C 0.061 176.717 176.600 0.093 0.000 1.145 1030 E CA -0.768 55.667 56.400 0.057 0.000 0.929 1030 E CB 0.446 30.162 29.700 0.027 0.000 0.998 1030 E HN 0.283 nan 8.360 nan 0.000 0.442 1031 V N -1.589 118.382 119.914 0.096 0.000 2.966 1031 V HA 0.367 4.486 4.120 -0.001 0.000 0.317 1031 V C 0.135 176.237 176.094 0.013 0.000 1.070 1031 V CA -1.102 61.242 62.300 0.073 0.000 1.008 1031 V CB 1.259 33.131 31.823 0.082 0.000 1.070 1031 V HN 0.738 nan 8.190 nan 0.000 0.457 1032 c N 2.333 120.935 118.600 0.004 0.000 2.580 1032 c HA 0.458 5.027 4.570 -0.001 0.000 0.371 1032 c C -2.086 171.954 174.090 -0.083 0.000 1.308 1032 c CA -0.341 55.972 56.329 -0.028 0.000 2.428 1032 c CB 0.036 42.546 42.510 0.000 0.000 2.529 1032 c HN 0.813 nan 8.230 nan 0.000 0.657 1033 P HA 0.064 nan 4.420 nan 0.000 0.265 1033 P C 0.269 177.421 177.300 -0.246 0.000 1.193 1033 P CA 0.855 63.824 63.100 -0.218 0.000 0.765 1033 P CB 0.192 31.743 31.700 -0.248 0.000 0.823 1034 M N -1.558 117.847 119.600 -0.325 0.000 2.939 1034 M HA -0.213 4.266 4.480 -0.001 0.000 0.194 1034 M C 0.250 176.553 176.300 0.006 0.000 0.617 1034 M CA 1.225 56.321 55.300 -0.339 0.000 0.734 1034 M CB -2.418 29.654 32.600 -0.881 0.000 2.637 1034 M HN 0.490 nan 8.290 nan 0.000 0.316 1035 E N 0.491 120.693 120.200 0.003 0.000 2.227 1035 E HA 0.593 4.943 4.350 -0.001 0.000 0.268 1035 E C -0.634 176.042 176.600 0.127 0.000 0.990 1035 E CA -0.195 56.286 56.400 0.135 0.000 0.856 1035 E CB 1.538 31.280 29.700 0.069 0.000 1.159 1035 E HN 0.188 nan 8.360 nan 0.000 0.401 1036 T N 1.364 116.008 114.554 0.151 0.000 2.921 1036 T HA 0.679 5.029 4.350 -0.001 0.000 0.297 1036 T C -1.251 173.462 174.700 0.022 0.000 1.013 1036 T CA -0.569 61.624 62.100 0.155 0.000 0.990 1036 T CB 1.483 70.451 68.868 0.167 0.000 1.023 1036 T HN 0.598 nan 8.240 nan 0.000 0.447 1037 A N 1.986 124.818 122.820 0.019 0.000 2.479 1037 A HA 1.020 5.339 4.320 -0.001 0.000 0.296 1037 A C -1.017 176.457 177.584 -0.183 0.000 1.121 1037 A CA -0.942 51.006 52.037 -0.148 0.000 0.743 1037 A CB 1.534 20.397 19.000 -0.228 0.000 1.323 1037 A HN 1.125 nan 8.150 nan 0.000 0.415 1038 A N 0.033 122.653 122.820 -0.334 0.000 2.386 1038 A HA 0.826 5.145 4.320 -0.001 0.000 0.311 1038 A C -1.537 175.853 177.584 -0.325 0.000 1.068 1038 A CA -0.365 51.584 52.037 -0.147 0.000 0.743 1038 A CB 0.804 19.744 19.000 -0.100 0.000 1.258 1038 A HN 0.859 nan 8.150 nan 0.000 0.429 1039 Y N 0.068 120.586 120.300 0.363 0.000 2.524 1039 Y HA 0.567 5.117 4.550 -0.001 0.000 0.347 1039 Y C -0.300 175.782 175.900 0.303 0.000 1.005 1039 Y CA -0.904 57.366 58.100 0.283 0.000 1.025 1039 Y CB 2.619 41.207 38.460 0.213 0.000 1.275 1039 Y HN 0.430 nan 8.280 nan 0.000 0.460 1040 V N 2.421 122.541 119.914 0.343 0.000 2.487 1040 V HA 0.478 4.597 4.120 -0.001 0.000 0.298 1040 V C -0.655 175.526 176.094 0.146 0.000 1.028 1040 V CA -0.879 61.517 62.300 0.160 0.000 0.860 1040 V CB 1.798 33.649 31.823 0.046 0.000 0.991 1040 V HN 0.823 nan 8.190 nan 0.000 0.427 1041 S N 3.367 119.157 115.700 0.150 0.000 2.525 1041 S HA 0.735 5.205 4.470 -0.001 0.000 0.290 1041 S C -0.273 174.260 174.600 -0.113 0.000 1.152 1041 S CA -0.604 57.610 58.200 0.023 0.000 1.072 1041 S CB 1.655 64.953 63.200 0.163 0.000 1.027 1041 S HN 0.555 nan 8.310 nan 0.000 0.500 1042 S N 2.289 117.790 115.700 -0.332 0.000 2.472 1042 S HA 0.531 5.001 4.470 -0.001 0.000 0.303 1042 S C -0.958 173.302 174.600 -0.568 0.000 1.099 1042 S CA -0.765 57.273 58.200 -0.270 0.000 1.077 1042 S CB 0.526 63.639 63.200 -0.144 0.000 1.031 1042 S HN 0.781 nan 8.310 nan 0.000 0.487 1043 H N 0.986 120.041 119.070 -0.025 0.000 2.667 1043 H HA 0.406 4.962 4.556 -0.001 0.000 0.353 1043 H C -0.106 175.214 175.328 -0.014 0.000 1.072 1043 H CA -0.597 55.440 56.048 -0.019 0.000 1.214 1043 H CB 1.759 31.512 29.762 -0.015 0.000 1.600 1043 H HN 0.679 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.740 115.700 0.066 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.224 58.200 0.040 0.000 1.107 1044 S CB 0.000 63.211 63.200 0.019 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517