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 2alw_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 0.026 0.000 1.270 31 c CA 0.000 56.340 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 1.461 121.293 119.800 0.054 0.000 2.395 32 Q HA 0.135 4.474 4.340 -0.001 0.000 0.271 32 Q C -0.116 175.917 176.000 0.055 0.000 1.026 32 Q CA 0.479 56.329 55.803 0.077 0.000 0.900 32 Q CB 0.790 29.613 28.738 0.142 0.000 1.266 32 Q HN 0.684 nan 8.270 nan 0.000 0.430 33 D N 1.334 121.769 120.400 0.058 0.000 2.295 33 D HA 0.093 4.732 4.640 -0.001 0.000 0.248 33 D C 0.303 176.649 176.300 0.076 0.000 1.154 33 D CA -0.306 53.708 54.000 0.022 0.000 0.857 33 D CB 1.360 42.174 40.800 0.024 0.000 1.117 33 D HN 0.363 nan 8.370 nan 0.000 0.468 34 V N 2.095 122.003 119.914 -0.010 0.000 3.444 34 V HA 0.144 4.263 4.120 -0.001 0.000 0.308 34 V C 0.963 177.098 176.094 0.068 0.000 1.371 34 V CA -0.064 62.299 62.300 0.104 0.000 1.141 34 V CB 0.207 31.925 31.823 -0.175 0.000 1.037 34 V HN 0.393 nan 8.190 nan 0.000 0.433 35 V N -0.120 119.761 119.914 -0.056 0.000 2.911 35 V HA 0.088 4.207 4.120 -0.001 0.000 0.237 35 V C 2.292 178.375 176.094 -0.019 0.000 1.156 35 V CA 1.172 63.395 62.300 -0.128 0.000 1.180 35 V CB 0.139 31.832 31.823 -0.217 0.000 0.932 35 V HN 0.469 nan 8.190 nan 0.000 0.483 36 Q N -0.006 119.825 119.800 0.052 0.000 2.408 36 Q HA 0.092 4.432 4.340 -0.001 0.000 0.205 36 Q C -0.448 175.641 176.000 0.148 0.000 0.919 36 Q CA 0.442 56.298 55.803 0.089 0.000 0.932 36 Q CB 0.432 29.193 28.738 0.038 0.000 1.058 36 Q HN 0.535 nan 8.270 nan 0.000 0.517 37 D N 1.088 121.605 120.400 0.195 0.000 2.381 37 D HA 0.190 4.830 4.640 -0.001 0.000 0.235 37 D C -0.666 175.747 176.300 0.188 0.000 1.068 37 D CA -0.324 53.773 54.000 0.162 0.000 0.832 37 D CB 2.340 43.212 40.800 0.119 0.000 1.101 37 D HN -0.188 nan 8.370 nan 0.000 0.515 38 V N 4.350 124.332 119.914 0.113 0.000 2.439 38 V HA 0.148 4.268 4.120 -0.001 0.000 0.271 38 V C -1.895 174.171 176.094 -0.047 0.000 1.040 38 V CA -1.191 61.092 62.300 -0.029 0.000 1.002 38 V CB 0.540 32.358 31.823 -0.009 0.000 1.000 38 V HN 0.316 nan 8.190 nan 0.000 0.477 39 P HA 0.086 nan 4.420 nan 0.000 0.269 39 P C -0.475 176.795 177.300 -0.050 0.000 1.209 39 P CA -0.136 62.931 63.100 -0.056 0.000 0.776 39 P CB 0.371 32.020 31.700 -0.085 0.000 0.876 40 N N 2.645 121.332 118.700 -0.022 0.000 2.439 40 N HA 0.341 5.081 4.740 -0.001 0.000 0.249 40 N C -1.146 174.357 175.510 -0.013 0.000 1.003 40 N CA -0.455 52.586 53.050 -0.016 0.000 0.942 40 N CB 0.112 38.599 38.487 -0.000 0.000 1.115 40 N HN 0.119 nan 8.380 nan 0.000 0.505 41 V N 0.438 120.338 119.914 -0.024 0.000 3.001 41 V HA 0.543 4.662 4.120 -0.001 0.000 0.314 41 V C 0.548 176.630 176.094 -0.019 0.000 1.099 41 V CA -0.749 61.541 62.300 -0.016 0.000 0.989 41 V CB 2.055 33.858 31.823 -0.033 0.000 1.040 41 V HN 0.396 nan 8.190 nan 0.000 0.434 42 D N 0.904 121.300 120.400 -0.006 0.000 2.178 42 D HA 0.028 4.668 4.640 -0.001 0.000 0.202 42 D C 0.479 176.753 176.300 -0.043 0.000 0.974 42 D CA 1.591 55.584 54.000 -0.011 0.000 0.841 42 D CB 0.513 41.324 40.800 0.017 0.000 0.953 42 D HN 0.422 nan 8.370 nan 0.000 0.478 43 V N 1.428 121.295 119.914 -0.077 0.000 2.525 43 V HA 0.208 4.327 4.120 -0.001 0.000 0.299 43 V C -0.412 175.594 176.094 -0.147 0.000 1.034 43 V CA -0.759 61.467 62.300 -0.123 0.000 0.863 43 V CB 2.459 34.164 31.823 -0.196 0.000 0.999 43 V HN -0.100 nan 8.190 nan 0.000 0.423 44 Q N 4.698 124.423 119.800 -0.125 0.000 2.339 44 Q HA 0.421 4.761 4.340 -0.001 0.000 0.268 44 Q C 0.529 176.442 176.000 -0.146 0.000 1.027 44 Q CA -0.698 55.024 55.803 -0.135 0.000 0.759 44 Q CB 1.821 30.498 28.738 -0.101 0.000 1.244 44 Q HN 0.689 nan 8.270 nan 0.000 0.464 45 M N 2.918 122.386 119.600 -0.221 0.000 2.144 45 M HA -0.205 4.274 4.480 -0.001 0.000 0.260 45 M C 1.594 177.801 176.300 -0.154 0.000 1.067 45 M CA 1.178 56.337 55.300 -0.235 0.000 1.095 45 M CB -0.884 31.443 32.600 -0.454 0.000 1.365 45 M HN 0.570 nan 8.290 nan 0.000 0.406 46 L N 0.501 121.622 121.223 -0.169 0.000 2.093 46 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 46 L C 2.454 179.322 176.870 -0.003 0.000 1.085 46 L CA 1.789 56.558 54.840 -0.118 0.000 0.755 46 L CB -0.662 41.303 42.059 -0.158 0.000 0.904 46 L HN 0.267 nan 8.230 nan 0.000 0.435 47 E N -0.386 119.798 120.200 -0.026 0.000 2.072 47 E HA -0.220 4.130 4.350 -0.001 0.000 0.191 47 E C 2.189 178.808 176.600 0.031 0.000 0.985 47 E CA 1.348 57.747 56.400 -0.003 0.000 0.801 47 E CB -0.268 29.416 29.700 -0.028 0.000 0.750 47 E HN 0.441 nan 8.360 nan 0.000 0.452 48 L N 0.524 121.767 121.223 0.032 0.000 2.042 48 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 48 L C 2.261 179.208 176.870 0.128 0.000 1.076 48 L CA 1.661 56.529 54.840 0.047 0.000 0.749 48 L CB -0.952 41.123 42.059 0.028 0.000 0.893 48 L HN 0.125 nan 8.230 nan 0.000 0.432 49 Y N -0.062 120.249 120.300 0.020 0.000 2.224 49 Y HA -0.251 4.298 4.550 -0.001 0.000 0.289 49 Y C 2.557 178.555 175.900 0.164 0.000 1.146 49 Y CA 1.707 59.906 58.100 0.164 0.000 1.182 49 Y CB -0.670 37.880 38.460 0.149 0.000 0.983 49 Y HN 0.358 nan 8.280 nan 0.000 0.524 50 D N -0.519 119.999 120.400 0.197 0.000 2.178 50 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 50 D C 2.050 178.394 176.300 0.074 0.000 0.980 50 D CA 1.253 55.319 54.000 0.110 0.000 0.842 50 D CB 0.066 40.904 40.800 0.064 0.000 0.948 50 D HN 0.255 nan 8.370 nan 0.000 0.472 51 R N -1.030 119.499 120.500 0.048 0.000 2.112 51 R HA 0.180 4.520 4.340 -0.001 0.000 0.216 51 R C 0.908 177.193 176.300 -0.025 0.000 1.080 51 R CA -0.017 56.086 56.100 0.005 0.000 0.996 51 R CB 0.004 30.292 30.300 -0.020 0.000 0.902 51 R HN 0.215 nan 8.270 nan 0.000 0.449 52 M N 0.901 120.455 119.600 -0.076 0.000 2.252 52 M HA -0.076 4.403 4.480 -0.001 0.000 0.333 52 M C 1.408 177.644 176.300 -0.106 0.000 1.111 52 M CA 0.399 55.555 55.300 -0.240 0.000 1.140 52 M CB 1.163 33.355 32.600 -0.681 0.000 1.538 52 M HN 0.072 nan 8.290 nan 0.000 0.448 53 S N 1.657 117.276 115.700 -0.134 0.000 2.517 53 S HA 0.093 4.562 4.470 -0.001 0.000 0.214 53 S C 0.602 175.310 174.600 0.180 0.000 0.991 53 S CA -0.256 57.972 58.200 0.046 0.000 0.906 53 S CB -0.143 63.060 63.200 0.006 0.000 0.789 53 S HN 0.765 nan 8.310 nan 0.000 0.513 54 F N 0.750 120.628 119.950 -0.120 0.000 3.084 54 F HA -0.144 4.383 4.527 -0.001 0.000 0.286 54 F C 0.158 175.979 175.800 0.034 0.000 0.855 54 F CA 0.399 58.339 58.000 -0.100 0.000 1.091 54 F CB -1.943 36.970 39.000 -0.145 0.000 1.177 54 F HN 0.130 nan 8.300 nan 0.000 0.542 55 K N 1.096 121.577 120.400 0.134 0.000 2.322 55 K HA 0.159 4.478 4.320 -0.001 0.000 0.283 55 K C 0.264 176.980 176.600 0.194 0.000 1.042 55 K CA -0.231 56.144 56.287 0.146 0.000 0.958 55 K CB 0.631 33.175 32.500 0.075 0.000 0.984 55 K HN 0.051 nan 8.250 nan 0.000 0.473 56 D N 3.322 123.853 120.400 0.218 0.000 2.563 56 D HA 0.115 4.754 4.640 -0.001 0.000 0.222 56 D C -0.402 175.941 176.300 0.072 0.000 1.145 56 D CA -0.570 53.555 54.000 0.208 0.000 1.001 56 D CB -0.657 40.262 40.800 0.199 0.000 1.049 56 D HN 0.402 nan 8.370 nan 0.000 0.515 57 I N -0.802 119.799 120.570 0.052 0.000 2.488 57 I HA 0.399 4.569 4.170 -0.001 0.000 0.299 57 I C 0.056 176.162 176.117 -0.019 0.000 0.984 57 I CA -0.698 60.609 61.300 0.013 0.000 1.250 57 I CB 1.224 39.232 38.000 0.013 0.000 1.389 57 I HN -0.122 nan 8.210 nan 0.000 0.488 58 D N 4.386 124.773 120.400 -0.021 0.000 2.349 58 D HA 0.160 4.800 4.640 -0.001 0.000 0.266 58 D C 1.032 177.318 176.300 -0.023 0.000 1.293 58 D CA 0.326 54.308 54.000 -0.029 0.000 0.926 58 D CB 1.053 41.844 40.800 -0.016 0.000 1.090 58 D HN 0.873 nan 8.370 nan 0.000 0.502 59 G N 2.442 111.211 108.800 -0.051 0.000 3.088 59 G HA2 0.418 4.378 3.960 -0.001 0.000 0.212 59 G HA3 0.418 4.378 3.960 -0.001 0.000 0.212 59 G C 0.895 175.800 174.900 0.007 0.000 1.173 59 G CA 0.367 45.443 45.100 -0.039 0.000 0.779 59 G HN 0.889 nan 8.290 nan 0.000 0.540 60 G N -0.592 108.217 108.800 0.015 0.000 2.464 60 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.216 60 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.216 60 G C 1.196 176.121 174.900 0.043 0.000 1.186 60 G CA 0.670 45.791 45.100 0.035 0.000 1.010 60 G HN 1.089 nan 8.290 nan 0.000 0.585 61 V N -3.624 116.314 119.914 0.039 0.000 2.392 61 V HA 0.063 4.183 4.120 -0.001 0.000 0.249 61 V C 1.457 177.585 176.094 0.056 0.000 1.059 61 V CA 2.425 64.730 62.300 0.008 0.000 1.051 61 V CB -0.534 31.259 31.823 -0.051 0.000 0.658 61 V HN 1.341 nan 8.190 nan 0.000 0.455 62 W N 2.733 123.950 121.300 -0.137 0.000 2.365 62 W HA 0.435 5.095 4.660 -0.001 0.000 0.371 62 W C 1.150 177.637 176.519 -0.054 0.000 1.006 62 W CA -1.802 55.458 57.345 -0.143 0.000 1.528 62 W CB 0.140 29.492 29.460 -0.180 0.000 1.497 62 W HN 0.094 nan 8.180 nan 0.000 0.367 63 K N 2.467 122.958 120.400 0.153 0.000 2.113 63 K HA -0.219 4.100 4.320 -0.001 0.000 0.208 63 K C 0.893 177.418 176.600 -0.124 0.000 1.047 63 K CA 1.632 57.916 56.287 -0.005 0.000 0.928 63 K CB 0.076 32.560 32.500 -0.026 0.000 0.716 63 K HN 0.551 nan 8.250 nan 0.000 0.446 64 Q N -0.765 118.930 119.800 -0.176 0.000 2.198 64 Q HA 0.150 4.489 4.340 -0.001 0.000 0.209 64 Q C 0.849 176.501 176.000 -0.580 0.000 0.848 64 Q CA -0.288 55.383 55.803 -0.220 0.000 0.974 64 Q CB 1.255 29.997 28.738 0.008 0.000 1.115 64 Q HN 0.264 nan 8.270 nan 0.000 0.494 65 G N 0.536 108.564 108.800 -1.287 0.000 3.364 65 G HA2 0.516 4.475 3.960 -0.001 0.000 0.191 65 G HA3 0.516 4.475 3.960 -0.001 0.000 0.191 65 G C -1.394 173.200 174.900 -0.510 0.000 1.352 65 G CA -0.268 43.783 45.100 -1.748 0.000 0.758 65 G HN 0.361 nan 8.290 nan 0.000 0.730 66 W N -1.466 119.541 121.300 -0.488 0.000 2.923 66 W HA 0.627 5.287 4.660 -0.000 0.000 0.373 66 W C -1.508 175.093 176.519 0.136 0.000 1.205 66 W CA -1.129 56.156 57.345 -0.099 0.000 1.180 66 W CB 0.617 30.034 29.460 -0.072 0.000 1.477 66 W HN 0.186 nan 8.180 nan 0.000 0.581 67 N N 2.078 120.950 118.700 0.286 0.000 2.399 67 N HA 0.238 4.977 4.740 -0.001 0.000 0.259 67 N C -0.304 175.357 175.510 0.251 0.000 1.160 67 N CA 0.006 53.167 53.050 0.186 0.000 0.946 67 N CB 0.379 38.968 38.487 0.170 0.000 1.156 67 N HN 0.394 nan 8.380 nan 0.000 0.489 68 I N 1.962 122.572 120.570 0.066 0.000 2.588 68 I HA 0.037 4.206 4.170 -0.001 0.000 0.283 68 I C 0.835 177.113 176.117 0.268 0.000 1.119 68 I CA 0.253 61.666 61.300 0.189 0.000 1.419 68 I CB 0.543 38.601 38.000 0.096 0.000 1.394 68 I HN 0.129 nan 8.210 nan 0.000 0.562 69 K N 5.788 126.381 120.400 0.321 0.000 2.267 69 K HA 0.607 4.926 4.320 -0.001 0.000 0.246 69 K C -1.388 175.364 176.600 0.253 0.000 0.954 69 K CA -0.706 55.691 56.287 0.183 0.000 0.824 69 K CB 2.365 34.940 32.500 0.124 0.000 1.167 69 K HN 0.487 nan 8.250 nan 0.000 0.431 70 Y N -1.917 118.470 120.300 0.146 0.000 2.588 70 Y HA 0.432 4.982 4.550 -0.001 0.000 0.343 70 Y C -1.226 174.743 175.900 0.114 0.000 1.065 70 Y CA -1.566 56.620 58.100 0.143 0.000 1.038 70 Y CB 1.174 39.737 38.460 0.171 0.000 1.297 70 Y HN 0.400 nan 8.280 nan 0.000 0.467 71 D N 3.941 124.509 120.400 0.279 0.000 2.313 71 D HA 0.292 4.931 4.640 -0.001 0.000 0.239 71 D C -1.621 174.856 176.300 0.294 0.000 1.142 71 D CA -2.761 51.341 54.000 0.170 0.000 0.847 71 D CB 1.610 42.476 40.800 0.109 0.000 1.082 71 D HN 0.455 nan 8.370 nan 0.000 0.480 72 P HA -0.135 nan 4.420 nan 0.000 0.220 72 P C 1.352 178.792 177.300 0.233 0.000 1.144 72 P CA 0.744 64.046 63.100 0.337 0.000 0.800 72 P CB 0.351 32.193 31.700 0.237 0.000 0.772 73 L N -0.648 120.664 121.223 0.148 0.000 2.599 73 L HA 0.063 4.402 4.340 -0.001 0.000 0.230 73 L C 2.714 179.619 176.870 0.059 0.000 1.141 73 L CA 0.455 55.356 54.840 0.101 0.000 0.877 73 L CB -0.702 41.396 42.059 0.066 0.000 1.009 73 L HN -0.020 nan 8.230 nan 0.000 0.447 74 K N 0.588 121.003 120.400 0.025 0.000 2.057 74 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 74 K C 0.011 176.457 176.600 -0.256 0.000 1.049 74 K CA 1.165 57.352 56.287 -0.167 0.000 0.931 74 K CB 0.061 32.388 32.500 -0.288 0.000 0.714 74 K HN 0.125 nan 8.250 nan 0.000 0.440 75 Y N 0.746 121.162 120.300 0.193 0.000 2.361 75 Y HA 0.208 4.758 4.550 -0.000 0.000 0.332 75 Y C 0.056 176.033 175.900 0.128 0.000 1.101 75 Y CA -0.920 57.285 58.100 0.175 0.000 1.137 75 Y CB 1.468 39.977 38.460 0.081 0.000 1.207 75 Y HN 0.297 nan 8.280 nan 0.000 0.463 76 N N -0.320 118.532 118.700 0.254 0.000 3.364 76 N HA 0.470 5.210 4.740 -0.001 0.000 0.294 76 N C 0.089 175.625 175.510 0.043 0.000 1.562 76 N CA -0.370 52.757 53.050 0.129 0.000 0.862 76 N CB 0.311 38.863 38.487 0.108 0.000 1.691 76 N HN 0.484 nan 8.380 nan 0.000 0.572 77 A N -1.027 121.733 122.820 -0.099 0.000 1.958 77 A HA -0.232 4.088 4.320 -0.001 0.000 0.221 77 A C 0.970 178.342 177.584 -0.353 0.000 1.178 77 A CA 1.647 53.512 52.037 -0.287 0.000 0.642 77 A CB -1.176 17.537 19.000 -0.478 0.000 0.816 77 A HN 0.710 nan 8.150 nan 0.000 0.453 78 H N -2.955 116.173 119.070 0.097 0.000 2.529 78 H HA 0.196 4.752 4.556 -0.001 0.000 0.277 78 H C -0.407 175.030 175.328 0.181 0.000 1.004 78 H CA 0.628 56.737 56.048 0.103 0.000 1.167 78 H CB 0.028 29.836 29.762 0.077 0.000 1.445 78 H HN 0.745 nan 8.280 nan 0.000 0.554 79 H N 0.506 119.650 119.070 0.123 0.000 2.895 79 H HA 0.274 4.829 4.556 -0.000 0.000 0.282 79 H C -0.785 174.685 175.328 0.237 0.000 1.338 79 H CA -0.445 55.698 56.048 0.159 0.000 1.595 79 H CB 0.290 30.136 29.762 0.140 0.000 1.771 79 H HN -0.042 nan 8.280 nan 0.000 0.573 80 K N 2.112 122.487 120.400 -0.041 0.000 2.090 80 K HA 0.326 4.645 4.320 -0.001 0.000 0.249 80 K C -0.722 175.678 176.600 -0.334 0.000 0.995 80 K CA -1.354 54.875 56.287 -0.098 0.000 0.914 80 K CB 1.776 34.201 32.500 -0.124 0.000 1.057 80 K HN 0.229 nan 8.250 nan 0.000 0.462 81 L N 2.310 123.178 121.223 -0.593 0.000 2.261 81 L HA 0.172 4.511 4.340 -0.001 0.000 0.289 81 L C -0.770 175.794 176.870 -0.511 0.000 1.059 81 L CA 0.228 54.572 54.840 -0.826 0.000 0.816 81 L CB 0.171 41.562 42.059 -1.113 0.000 1.191 81 L HN 0.361 nan 8.230 nan 0.000 0.431 82 K N 4.485 124.619 120.400 -0.443 0.000 2.248 82 K HA 0.489 4.808 4.320 -0.001 0.000 0.281 82 K C -1.096 175.135 176.600 -0.616 0.000 1.054 82 K CA -0.533 55.451 56.287 -0.504 0.000 0.903 82 K CB 1.442 33.697 32.500 -0.407 0.000 1.077 82 K HN 0.403 nan 8.250 nan 0.000 0.474 83 V N 5.021 124.459 119.914 -0.793 0.000 2.448 83 V HA 0.366 4.486 4.120 -0.001 0.000 0.295 83 V C -0.809 174.723 176.094 -0.936 0.000 1.025 83 V CA -0.778 61.014 62.300 -0.846 0.000 0.859 83 V CB 0.735 31.888 31.823 -1.116 0.000 0.988 83 V HN 0.562 nan 8.190 nan 0.000 0.431 84 F N 3.635 123.331 119.950 -0.424 0.000 2.375 84 F HA 0.499 5.026 4.527 -0.001 0.000 0.361 84 F C 0.152 175.777 175.800 -0.293 0.000 1.117 84 F CA -0.779 57.032 58.000 -0.316 0.000 1.037 84 F CB 1.803 40.688 39.000 -0.192 0.000 1.192 84 F HN 0.186 nan 8.300 nan 0.000 0.452 85 V N 5.203 125.098 119.914 -0.031 0.000 2.385 85 V HA 0.261 4.381 4.120 -0.001 0.000 0.269 85 V C -0.195 176.006 176.094 0.178 0.000 1.043 85 V CA -0.612 61.730 62.300 0.071 0.000 0.906 85 V CB 1.226 33.169 31.823 0.199 0.000 0.995 85 V HN 0.430 nan 8.190 nan 0.000 0.467 86 V N 8.454 128.420 119.914 0.087 0.000 2.293 86 V HA 0.320 4.439 4.120 -0.001 0.000 0.275 86 V C -2.364 173.775 176.094 0.076 0.000 1.021 86 V CA -1.969 60.351 62.300 0.033 0.000 0.815 86 V CB 1.494 33.246 31.823 -0.118 0.000 1.025 86 V HN 0.719 nan 8.190 nan 0.000 0.448 87 P HA 0.336 nan 4.420 nan 0.000 0.271 87 P C -0.897 176.422 177.300 0.032 0.000 1.216 87 P CA 0.237 63.312 63.100 -0.040 0.000 0.771 87 P CB 0.359 31.841 31.700 -0.363 0.000 0.864 88 H N -0.983 118.113 119.070 0.044 0.000 2.990 88 H HA 0.793 5.348 4.556 -0.001 0.000 0.336 88 H C -1.458 173.999 175.328 0.215 0.000 1.306 88 H CA -1.135 54.839 56.048 -0.123 0.000 1.118 88 H CB 1.011 30.649 29.762 -0.207 0.000 1.856 88 H HN 0.181 nan 8.280 nan 0.000 0.538 89 S N 0.742 116.486 115.700 0.073 0.000 2.776 89 S HA 0.200 4.669 4.470 -0.001 0.000 0.284 89 S C -1.795 172.737 174.600 -0.113 0.000 1.160 89 S CA -0.666 57.609 58.200 0.124 0.000 1.051 89 S CB 0.085 63.539 63.200 0.423 0.000 1.037 89 S HN 0.837 nan 8.310 nan 0.000 0.485 90 H N 4.554 123.534 119.070 -0.150 0.000 2.864 90 H HA 0.408 4.963 4.556 -0.001 0.000 0.281 90 H C -0.100 174.817 175.328 -0.685 0.000 1.093 90 H CA 0.358 56.211 56.048 -0.325 0.000 1.453 90 H CB 0.158 29.748 29.762 -0.287 0.000 1.462 90 H HN 0.567 nan 8.280 nan 0.000 0.480 91 N N 5.364 123.373 118.700 -1.152 0.000 2.476 91 N HA 0.074 4.814 4.740 -0.001 0.000 0.257 91 N C -1.175 173.818 175.510 -0.861 0.000 0.970 91 N CA -0.669 51.521 53.050 -1.433 0.000 0.938 91 N CB 1.241 39.178 38.487 -0.916 0.000 1.144 91 N HN 0.635 nan 8.380 nan 0.000 0.500 92 D N 2.760 122.724 120.400 -0.726 0.000 2.317 92 D HA 0.153 4.792 4.640 -0.001 0.000 0.252 92 D C -2.123 174.192 176.300 0.026 0.000 1.174 92 D CA -1.116 52.728 54.000 -0.259 0.000 0.866 92 D CB 1.598 42.522 40.800 0.205 0.000 1.127 92 D HN 0.168 nan 8.370 nan 0.000 0.467 93 P HA 0.206 nan 4.420 nan 0.000 0.230 93 P C -0.059 177.430 177.300 0.314 0.000 1.791 93 P CA 0.073 63.177 63.100 0.008 0.000 1.020 93 P CB 0.223 31.814 31.700 -0.183 0.000 1.977 94 G N 0.556 109.719 108.800 0.606 0.000 2.911 94 G HA2 0.013 3.973 3.960 -0.001 0.000 0.686 94 G HA3 0.013 3.973 3.960 -0.001 0.000 0.686 94 G C -1.059 174.381 174.900 0.900 0.000 1.136 94 G CA -0.597 44.906 45.100 0.671 0.000 0.764 94 G HN 0.366 nan 8.290 nan 0.000 0.626 95 W N 2.156 123.806 121.300 0.584 0.000 4.506 95 W HA 0.255 4.915 4.660 -0.001 0.000 0.159 95 W C 0.838 177.549 176.519 0.320 0.000 3.471 95 W CA 0.923 58.581 57.345 0.522 0.000 1.165 95 W CB -0.803 29.049 29.460 0.654 0.000 2.094 95 W HN 0.546 nan 8.180 nan 0.000 0.385 96 I N 1.901 122.531 120.570 0.102 0.000 3.030 96 I HA 0.172 4.341 4.170 -0.001 0.000 0.270 96 I C 0.435 176.431 176.117 -0.202 0.000 1.211 96 I CA 1.059 62.198 61.300 -0.268 0.000 1.479 96 I CB -0.996 36.816 38.000 -0.314 0.000 1.105 96 I HN 0.109 nan 8.210 nan 0.000 0.447 97 Q N -0.193 119.332 119.800 -0.459 0.000 2.496 97 Q HA 0.366 4.706 4.340 -0.001 0.000 0.286 97 Q C 0.087 175.877 176.000 -0.351 0.000 1.103 97 Q CA -0.624 54.873 55.803 -0.509 0.000 0.813 97 Q CB 2.244 30.380 28.738 -1.004 0.000 1.444 97 Q HN 0.224 nan 8.270 nan 0.000 0.443 98 T N -2.189 112.261 114.554 -0.174 0.000 2.788 98 T HA 0.142 4.491 4.350 -0.001 0.000 0.287 98 T C 0.791 175.597 174.700 0.178 0.000 1.007 98 T CA -0.466 61.599 62.100 -0.057 0.000 1.005 98 T CB 0.300 69.157 68.868 -0.018 0.000 1.012 98 T HN 0.561 nan 8.240 nan 0.000 0.530 99 F N 1.181 121.204 119.950 0.123 0.000 2.065 99 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 99 F C 2.467 178.450 175.800 0.306 0.000 1.112 99 F CA 2.362 60.501 58.000 0.232 0.000 1.212 99 F CB -0.396 38.632 39.000 0.045 0.000 0.975 99 F HN 0.773 nan 8.300 nan 0.000 0.476 100 E N 0.431 120.838 120.200 0.345 0.000 2.106 100 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 100 E C 2.037 178.687 176.600 0.084 0.000 0.984 100 E CA 1.779 58.322 56.400 0.238 0.000 0.806 100 E CB -0.302 29.538 29.700 0.233 0.000 0.750 100 E HN 0.616 nan 8.360 nan 0.000 0.458 101 E N -1.058 119.133 120.200 -0.015 0.000 2.051 101 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 101 E C 1.872 178.270 176.600 -0.337 0.000 0.991 101 E CA 1.254 57.481 56.400 -0.288 0.000 0.799 101 E CB -0.254 29.350 29.700 -0.160 0.000 0.748 101 E HN 0.358 nan 8.360 nan 0.000 0.449 102 Y N -0.661 119.582 120.300 -0.094 0.000 2.224 102 Y HA -0.248 4.301 4.550 -0.001 0.000 0.289 102 Y C 2.188 178.021 175.900 -0.111 0.000 1.146 102 Y CA 1.295 59.325 58.100 -0.116 0.000 1.182 102 Y CB -0.656 37.822 38.460 0.031 0.000 0.983 102 Y HN 0.195 nan 8.280 nan 0.000 0.524 103 Y N 0.857 121.179 120.300 0.038 0.000 2.145 103 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 103 Y C 2.275 178.149 175.900 -0.044 0.000 1.145 103 Y CA 1.801 59.881 58.100 -0.033 0.000 1.148 103 Y CB -0.373 38.059 38.460 -0.047 0.000 0.981 103 Y HN 0.044 nan 8.280 nan 0.000 0.507 104 Q N -0.567 119.130 119.800 -0.172 0.000 2.119 104 Q HA -0.168 4.172 4.340 -0.001 0.000 0.201 104 Q C 2.095 178.067 176.000 -0.046 0.000 0.972 104 Q CA 2.169 57.849 55.803 -0.205 0.000 0.847 104 Q CB -0.569 28.090 28.738 -0.130 0.000 0.903 104 Q HN 0.779 nan 8.270 nan 0.000 0.433 105 H N -0.821 118.275 119.070 0.042 0.000 2.497 105 H HA 0.061 4.616 4.556 -0.001 0.000 0.282 105 H C 0.903 176.329 175.328 0.162 0.000 1.003 105 H CA 0.590 56.694 56.048 0.093 0.000 1.307 105 H CB 0.683 30.460 29.762 0.025 0.000 1.437 105 H HN 0.198 nan 8.280 nan 0.000 0.544 106 D N -1.056 119.462 120.400 0.197 0.000 3.081 106 D HA 0.006 4.646 4.640 -0.001 0.000 0.243 106 D C 1.745 178.125 176.300 0.133 0.000 1.388 106 D CA 0.518 54.626 54.000 0.181 0.000 1.245 106 D CB -0.019 40.782 40.800 0.001 0.000 1.319 106 D HN 0.055 nan 8.370 nan 0.000 0.377 107 T N 2.589 117.140 114.554 -0.006 0.000 2.788 107 T HA -0.159 4.190 4.350 -0.001 0.000 0.268 107 T C 1.931 176.484 174.700 -0.245 0.000 1.044 107 T CA 1.553 63.607 62.100 -0.077 0.000 1.139 107 T CB -0.118 68.549 68.868 -0.335 0.000 0.867 107 T HN 0.256 nan 8.240 nan 0.000 0.454 108 K N 0.678 120.745 120.400 -0.555 0.000 2.211 108 K HA -0.131 4.189 4.320 -0.001 0.000 0.203 108 K C 1.924 178.290 176.600 -0.390 0.000 1.050 108 K CA 1.340 57.298 56.287 -0.548 0.000 0.945 108 K CB -0.353 31.596 32.500 -0.919 0.000 0.732 108 K HN 0.408 nan 8.250 nan 0.000 0.451 109 H N 1.061 120.077 119.070 -0.090 0.000 2.363 109 H HA 0.057 4.613 4.556 -0.001 0.000 0.301 109 H C 2.279 177.632 175.328 0.041 0.000 1.074 109 H CA 1.375 57.429 56.048 0.009 0.000 1.354 109 H CB -0.134 29.655 29.762 0.045 0.000 1.397 109 H HN 0.181 nan 8.280 nan 0.000 0.516 110 I N 0.782 121.452 120.570 0.166 0.000 2.163 110 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 110 I C 2.426 178.576 176.117 0.055 0.000 1.085 110 I CA 1.121 62.567 61.300 0.243 0.000 1.347 110 I CB -0.234 37.974 38.000 0.346 0.000 1.044 110 I HN 0.100 nan 8.210 nan 0.000 0.408 111 L N -0.552 120.471 121.223 -0.333 0.000 2.109 111 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 111 L C 2.711 179.217 176.870 -0.607 0.000 1.086 111 L CA 1.120 55.497 54.840 -0.771 0.000 0.760 111 L CB -0.500 40.474 42.059 -1.809 0.000 0.910 111 L HN 0.232 nan 8.230 nan 0.000 0.437 112 S N 0.178 115.669 115.700 -0.348 0.000 2.368 112 S HA -0.139 4.331 4.470 -0.001 0.000 0.224 112 S C 1.808 176.400 174.600 -0.013 0.000 1.029 112 S CA 1.358 59.600 58.200 0.069 0.000 0.988 112 S CB -0.147 63.168 63.200 0.192 0.000 0.838 112 S HN 0.426 nan 8.310 nan 0.000 0.462 113 N N 1.630 120.329 118.700 -0.001 0.000 2.270 113 N HA 0.097 4.837 4.740 -0.001 0.000 0.181 113 N C 1.814 177.056 175.510 -0.446 0.000 1.016 113 N CA 1.116 54.129 53.050 -0.062 0.000 0.870 113 N CB -0.730 37.847 38.487 0.151 0.000 0.979 113 N HN 0.512 nan 8.380 nan 0.000 0.431 114 A N 1.140 123.740 122.820 -0.368 0.000 1.902 114 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 114 A C 2.206 179.512 177.584 -0.464 0.000 1.181 114 A CA 0.910 52.537 52.037 -0.683 0.000 0.623 114 A CB -0.726 18.158 19.000 -0.193 0.000 0.818 114 A HN 0.229 nan 8.150 nan 0.000 0.443 115 L N -0.071 121.026 121.223 -0.210 0.000 2.012 115 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 115 L C 2.439 179.230 176.870 -0.132 0.000 1.073 115 L CA 1.993 56.782 54.840 -0.085 0.000 0.748 115 L CB -0.562 41.520 42.059 0.037 0.000 0.891 115 L HN 0.323 nan 8.230 nan 0.000 0.431 116 R N -1.436 118.949 120.500 -0.193 0.000 2.062 116 R HA -0.127 4.212 4.340 -0.001 0.000 0.231 116 R C 2.330 178.434 176.300 -0.327 0.000 1.136 116 R CA 1.523 57.494 56.100 -0.215 0.000 0.948 116 R CB -0.769 29.395 30.300 -0.227 0.000 0.845 116 R HN 0.576 nan 8.270 nan 0.000 0.430 117 H N 0.753 119.535 119.070 -0.480 0.000 2.353 117 H HA -0.060 4.496 4.556 -0.001 0.000 0.300 117 H C 2.283 177.378 175.328 -0.388 0.000 1.090 117 H CA 1.344 57.077 56.048 -0.526 0.000 1.327 117 H CB 0.022 29.171 29.762 -1.022 0.000 1.383 117 H HN 0.142 nan 8.280 nan 0.000 0.508 118 L N -0.254 120.768 121.223 -0.334 0.000 2.056 118 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 118 L C 2.749 179.567 176.870 -0.088 0.000 1.078 118 L CA 1.043 55.776 54.840 -0.179 0.000 0.749 118 L CB -0.688 41.285 42.059 -0.142 0.000 0.901 118 L HN 0.394 nan 8.230 nan 0.000 0.433 119 H N 0.722 119.704 119.070 -0.145 0.000 2.319 119 H HA -0.219 4.336 4.556 -0.001 0.000 0.297 119 H C 1.329 176.600 175.328 -0.094 0.000 1.097 119 H CA 2.206 58.196 56.048 -0.095 0.000 1.285 119 H CB 0.192 29.896 29.762 -0.096 0.000 1.368 119 H HN 0.331 nan 8.280 nan 0.000 0.495 120 D N 0.332 120.635 120.400 -0.161 0.000 2.317 120 D HA -0.010 4.629 4.640 -0.001 0.000 0.211 120 D C 0.034 176.257 176.300 -0.129 0.000 0.966 120 D CA 0.515 54.408 54.000 -0.179 0.000 0.876 120 D CB 0.007 40.724 40.800 -0.138 0.000 0.927 120 D HN 0.319 nan 8.370 nan 0.000 0.519 121 N N 1.152 119.795 118.700 -0.096 0.000 2.746 121 N HA 0.113 4.852 4.740 -0.001 0.000 0.250 121 N C -2.042 173.459 175.510 -0.016 0.000 1.146 121 N CA -1.043 51.994 53.050 -0.022 0.000 0.828 121 N CB 2.451 40.956 38.487 0.031 0.000 1.158 121 N HN -0.042 nan 8.380 nan 0.000 0.519 122 P HA -0.130 nan 4.420 nan 0.000 0.220 122 P C 0.615 177.940 177.300 0.041 0.000 1.144 122 P CA 1.335 64.429 63.100 -0.009 0.000 0.800 122 P CB 0.646 32.332 31.700 -0.022 0.000 0.772 123 E N -1.277 118.978 120.200 0.093 0.000 2.447 123 E HA 0.067 4.416 4.350 -0.001 0.000 0.195 123 E C 1.019 177.756 176.600 0.228 0.000 1.028 123 E CA -0.143 56.356 56.400 0.165 0.000 0.876 123 E CB -0.385 29.444 29.700 0.215 0.000 0.885 123 E HN 0.263 nan 8.360 nan 0.000 0.500 124 M N 1.612 121.282 119.600 0.116 0.000 2.243 124 M HA 0.083 4.562 4.480 -0.001 0.000 0.341 124 M C -0.252 176.026 176.300 -0.036 0.000 1.130 124 M CA 0.283 55.545 55.300 -0.064 0.000 1.162 124 M CB 0.462 33.005 32.600 -0.095 0.000 1.497 124 M HN -0.351 nan 8.290 nan 0.000 0.456 125 K N 3.156 123.500 120.400 -0.094 0.000 2.400 125 K HA 0.659 4.979 4.320 -0.001 0.000 0.246 125 K C -1.710 174.922 176.600 0.054 0.000 0.995 125 K CA -0.517 55.772 56.287 0.004 0.000 0.840 125 K CB 2.243 34.777 32.500 0.055 0.000 1.293 125 K HN 0.676 nan 8.250 nan 0.000 0.445 126 F N 1.538 121.399 119.950 -0.148 0.000 2.654 126 F HA 0.417 4.944 4.527 -0.001 0.000 0.314 126 F C -1.524 174.164 175.800 -0.188 0.000 1.116 126 F CA -1.219 56.679 58.000 -0.170 0.000 1.017 126 F CB 0.987 39.968 39.000 -0.031 0.000 1.285 126 F HN 0.448 nan 8.300 nan 0.000 0.448 127 I N 2.081 122.334 120.570 -0.529 0.000 2.562 127 I HA 0.588 4.757 4.170 -0.001 0.000 0.301 127 I C -1.695 173.986 176.117 -0.726 0.000 1.003 127 I CA -0.595 60.339 61.300 -0.609 0.000 1.127 127 I CB 2.413 39.987 38.000 -0.710 0.000 1.304 127 I HN 0.712 nan 8.210 nan 0.000 0.446 128 W N 4.791 125.677 121.300 -0.690 0.000 2.839 128 W HA 0.631 5.290 4.660 -0.001 0.000 0.334 128 W C -0.699 175.723 176.519 -0.161 0.000 1.064 128 W CA -0.560 56.510 57.345 -0.459 0.000 1.236 128 W CB 2.662 31.906 29.460 -0.360 0.000 1.405 128 W HN 0.789 nan 8.180 nan 0.000 0.478 129 A N 3.466 125.915 122.820 -0.619 0.000 1.984 129 A HA 0.147 4.467 4.320 -0.001 0.000 0.203 129 A C 0.005 177.534 177.584 -0.093 0.000 1.292 129 A CA 0.488 52.396 52.037 -0.214 0.000 0.782 129 A CB -0.015 18.915 19.000 -0.118 0.000 0.924 129 A HN 0.509 nan 8.150 nan 0.000 0.475 130 E N 1.069 121.089 120.200 -0.301 0.000 2.001 130 E HA 0.295 4.644 4.350 -0.001 0.000 0.279 130 E C 0.465 177.220 176.600 0.260 0.000 1.045 130 E CA -0.273 56.130 56.400 0.006 0.000 0.833 130 E CB 0.685 30.387 29.700 0.004 0.000 1.077 130 E HN 0.276 nan 8.360 nan 0.000 0.397 131 I N 1.525 122.149 120.570 0.090 0.000 2.676 131 I HA -0.198 3.971 4.170 -0.001 0.000 0.259 131 I C 1.910 177.673 176.117 -0.591 0.000 1.194 131 I CA 0.918 62.189 61.300 -0.049 0.000 1.473 131 I CB -1.383 36.634 38.000 0.028 0.000 1.096 131 I HN 0.406 nan 8.210 nan 0.000 0.443 132 S N 0.782 115.862 115.700 -1.033 0.000 2.359 132 S HA -0.254 4.215 4.470 -0.001 0.000 0.224 132 S C 2.200 176.508 174.600 -0.486 0.000 1.035 132 S CA 1.232 58.411 58.200 -1.702 0.000 1.018 132 S CB -1.166 61.103 63.200 -1.551 0.000 0.876 132 S HN 0.457 nan 8.310 nan 0.000 0.448 133 Y N 0.187 120.522 120.300 0.059 0.000 2.242 133 Y HA 0.009 4.559 4.550 -0.001 0.000 0.291 133 Y C 2.290 178.263 175.900 0.121 0.000 1.137 133 Y CA 1.138 59.375 58.100 0.228 0.000 1.181 133 Y CB -0.385 38.304 38.460 0.382 0.000 0.989 133 Y HN 0.288 nan 8.280 nan 0.000 0.527 134 F N 0.064 120.092 119.950 0.130 0.000 2.146 134 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 134 F C 2.340 177.948 175.800 -0.320 0.000 1.096 134 F CA 1.175 59.113 58.000 -0.104 0.000 1.275 134 F CB -0.476 38.434 39.000 -0.149 0.000 1.008 134 F HN -0.022 nan 8.300 nan 0.000 0.480 135 A N 0.178 122.627 122.820 -0.619 0.000 1.902 135 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 135 A C 2.153 179.648 177.584 -0.149 0.000 1.181 135 A CA 1.768 53.305 52.037 -0.833 0.000 0.623 135 A CB -0.761 17.630 19.000 -1.014 0.000 0.818 135 A HN 0.386 nan 8.150 nan 0.000 0.443 136 R N -1.064 119.371 120.500 -0.109 0.000 2.105 136 R HA -0.148 4.191 4.340 -0.001 0.000 0.239 136 R C 1.723 177.958 176.300 -0.109 0.000 1.135 136 R CA 2.054 58.093 56.100 -0.100 0.000 0.967 136 R CB -0.810 29.381 30.300 -0.180 0.000 0.861 136 R HN 0.491 nan 8.270 nan 0.000 0.442 137 F N -0.414 119.444 119.950 -0.152 0.000 2.098 137 F HA -0.085 4.441 4.527 -0.001 0.000 0.294 137 F C 1.904 177.624 175.800 -0.132 0.000 1.107 137 F CA 1.497 59.473 58.000 -0.040 0.000 1.234 137 F CB -0.909 37.994 39.000 -0.162 0.000 1.002 137 F HN 0.079 nan 8.300 nan 0.000 0.472 138 Y N 0.719 120.801 120.300 -0.363 0.000 2.151 138 Y HA -0.314 4.236 4.550 -0.001 0.000 0.284 138 Y C 2.684 178.355 175.900 -0.380 0.000 1.166 138 Y CA 2.424 60.282 58.100 -0.402 0.000 1.163 138 Y CB -0.760 37.586 38.460 -0.190 0.000 0.974 138 Y HN 0.177 nan 8.280 nan 0.000 0.511 139 H N -1.009 118.070 119.070 0.015 0.000 2.559 139 H HA -0.047 4.508 4.556 -0.001 0.000 0.273 139 H C 0.805 176.043 175.328 -0.150 0.000 1.000 139 H CA 1.217 57.232 56.048 -0.054 0.000 1.195 139 H CB 0.015 29.792 29.762 0.024 0.000 1.368 139 H HN 0.455 nan 8.280 nan 0.000 0.592 140 D N -0.054 120.250 120.400 -0.159 0.000 2.360 140 D HA 0.107 4.747 4.640 -0.001 0.000 0.210 140 D C 0.602 176.716 176.300 -0.309 0.000 1.047 140 D CA 0.031 53.924 54.000 -0.179 0.000 0.854 140 D CB 0.608 41.334 40.800 -0.123 0.000 0.936 140 D HN 0.191 nan 8.370 nan 0.000 0.514 141 L N 0.655 121.596 121.223 -0.470 0.000 2.371 141 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 141 L C 1.302 177.975 176.870 -0.330 0.000 1.124 141 L CA -0.609 53.943 54.840 -0.480 0.000 0.816 141 L CB 1.152 42.833 42.059 -0.631 0.000 1.129 141 L HN -0.038 nan 8.230 nan 0.000 0.448 142 G N 0.758 109.415 108.800 -0.239 0.000 2.572 142 G HA2 0.069 4.028 3.960 -0.001 0.000 0.261 142 G HA3 0.069 4.028 3.960 -0.001 0.000 0.261 142 G C 0.637 175.434 174.900 -0.171 0.000 1.197 142 G CA -0.283 44.718 45.100 -0.165 0.000 0.870 142 G HN 0.772 nan 8.290 nan 0.000 0.548 143 E N 0.237 120.368 120.200 -0.115 0.000 2.097 143 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 143 E C 2.125 178.683 176.600 -0.071 0.000 1.000 143 E CA 1.927 58.275 56.400 -0.086 0.000 0.804 143 E CB -0.265 29.411 29.700 -0.040 0.000 0.740 143 E HN 0.653 nan 8.360 nan 0.000 0.454 144 N N -0.504 118.154 118.700 -0.069 0.000 2.069 144 N HA -0.173 4.567 4.740 -0.001 0.000 0.191 144 N C 1.451 176.919 175.510 -0.071 0.000 1.031 144 N CA 1.610 54.625 53.050 -0.058 0.000 0.852 144 N CB 0.056 38.505 38.487 -0.063 0.000 1.018 144 N HN -0.070 nan 8.380 nan 0.000 0.423 145 K N 0.882 121.220 120.400 -0.103 0.000 2.148 145 K HA -0.017 4.302 4.320 -0.001 0.000 0.204 145 K C 1.827 178.383 176.600 -0.072 0.000 1.050 145 K CA 0.894 57.120 56.287 -0.101 0.000 0.942 145 K CB -0.186 32.232 32.500 -0.137 0.000 0.724 145 K HN 0.343 nan 8.250 nan 0.000 0.446 146 K N 0.598 120.913 120.400 -0.141 0.000 2.057 146 K HA -0.039 4.281 4.320 -0.001 0.000 0.207 146 K C 2.210 178.871 176.600 0.102 0.000 1.049 146 K CA 0.978 57.191 56.287 -0.123 0.000 0.931 146 K CB -0.160 32.166 32.500 -0.291 0.000 0.714 146 K HN 0.037 nan 8.250 nan 0.000 0.440 147 L N 0.964 122.218 121.223 0.052 0.000 2.046 147 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 147 L C 2.534 179.461 176.870 0.094 0.000 1.077 147 L CA 1.316 56.206 54.840 0.082 0.000 0.747 147 L CB -0.369 41.716 42.059 0.044 0.000 0.896 147 L HN 0.264 nan 8.230 nan 0.000 0.432 148 Q N -0.917 118.917 119.800 0.057 0.000 2.124 148 Q HA -0.258 4.082 4.340 -0.001 0.000 0.202 148 Q C 2.188 178.269 176.000 0.134 0.000 0.977 148 Q CA 1.636 57.479 55.803 0.066 0.000 0.850 148 Q CB -0.144 28.567 28.738 -0.045 0.000 0.901 148 Q HN 0.365 nan 8.270 nan 0.000 0.429 149 M N 1.058 120.767 119.600 0.182 0.000 2.132 149 M HA -0.136 4.344 4.480 -0.001 0.000 0.263 149 M C 1.546 178.030 176.300 0.307 0.000 1.065 149 M CA 1.755 57.233 55.300 0.295 0.000 1.122 149 M CB 0.074 32.945 32.600 0.452 0.000 1.365 149 M HN -0.112 nan 8.290 nan 0.000 0.411 150 K N -0.990 119.587 120.400 0.295 0.000 2.147 150 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 150 K C 2.267 178.966 176.600 0.166 0.000 1.049 150 K CA 1.522 57.953 56.287 0.240 0.000 0.936 150 K CB -0.426 32.200 32.500 0.210 0.000 0.722 150 K HN 0.395 nan 8.250 nan 0.000 0.446 151 S N 1.516 117.304 115.700 0.146 0.000 2.368 151 S HA -0.098 4.372 4.470 -0.001 0.000 0.224 151 S C 1.939 176.597 174.600 0.097 0.000 1.029 151 S CA 1.174 59.440 58.200 0.110 0.000 0.988 151 S CB -0.234 63.032 63.200 0.111 0.000 0.838 151 S HN 0.393 nan 8.310 nan 0.000 0.462 152 I N -0.935 119.702 120.570 0.112 0.000 2.830 152 I HA 0.063 4.232 4.170 -0.001 0.000 0.263 152 I C 1.850 178.000 176.117 0.056 0.000 1.230 152 I CA 0.622 61.968 61.300 0.076 0.000 1.480 152 I CB -0.347 37.696 38.000 0.073 0.000 1.095 152 I HN 0.096 nan 8.210 nan 0.000 0.455 153 V N 1.562 121.530 119.914 0.090 0.000 2.346 153 V HA -0.176 3.944 4.120 -0.001 0.000 0.244 153 V C 2.699 178.828 176.094 0.058 0.000 1.037 153 V CA 1.909 64.249 62.300 0.066 0.000 1.029 153 V CB -0.635 31.294 31.823 0.175 0.000 0.663 153 V HN 0.422 nan 8.190 nan 0.000 0.454 154 K N 1.588 122.032 120.400 0.074 0.000 2.103 154 K HA -0.231 4.088 4.320 -0.001 0.000 0.207 154 K C 1.701 178.319 176.600 0.031 0.000 1.048 154 K CA 1.952 58.270 56.287 0.052 0.000 0.930 154 K CB -0.218 32.316 32.500 0.057 0.000 0.716 154 K HN 0.673 nan 8.250 nan 0.000 0.444 155 N N -0.618 118.100 118.700 0.030 0.000 2.461 155 N HA 0.010 4.750 4.740 -0.001 0.000 0.188 155 N C 0.809 176.323 175.510 0.006 0.000 1.134 155 N CA 1.006 54.066 53.050 0.017 0.000 0.878 155 N CB 0.410 38.908 38.487 0.019 0.000 0.972 155 N HN 0.342 nan 8.380 nan 0.000 0.456 156 G N -0.381 108.419 108.800 -0.001 0.000 2.159 156 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.256 156 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.256 156 G C 0.794 175.679 174.900 -0.025 0.000 0.977 156 G CA 0.511 45.599 45.100 -0.020 0.000 0.652 156 G HN 0.467 nan 8.290 nan 0.000 0.531 157 Q N -1.327 118.465 119.800 -0.013 0.000 2.096 157 Q HA 0.240 4.580 4.340 -0.001 0.000 0.197 157 Q C 1.157 177.145 176.000 -0.020 0.000 0.964 157 Q CA 1.016 56.815 55.803 -0.007 0.000 0.838 157 Q CB 0.210 28.949 28.738 0.001 0.000 0.906 157 Q HN 0.590 nan 8.270 nan 0.000 0.444 158 L N 1.146 122.338 121.223 -0.053 0.000 2.287 158 L HA 0.318 4.658 4.340 -0.001 0.000 0.287 158 L C -0.991 175.695 176.870 -0.307 0.000 1.022 158 L CA -0.100 54.664 54.840 -0.128 0.000 0.814 158 L CB 1.511 43.505 42.059 -0.107 0.000 1.217 158 L HN -0.077 nan 8.230 nan 0.000 0.420 159 E N 4.360 124.334 120.200 -0.376 0.000 2.234 159 E HA 0.367 4.717 4.350 -0.001 0.000 0.266 159 E C -1.493 174.800 176.600 -0.511 0.000 0.877 159 E CA -0.705 55.467 56.400 -0.380 0.000 0.758 159 E CB 1.050 30.620 29.700 -0.218 0.000 1.170 159 E HN 0.542 nan 8.360 nan 0.000 0.415 160 F N 3.113 123.011 119.950 -0.087 0.000 2.412 160 F HA 0.247 4.774 4.527 -0.001 0.000 0.348 160 F C 0.263 176.027 175.800 -0.060 0.000 1.102 160 F CA -0.554 57.406 58.000 -0.066 0.000 1.196 160 F CB 1.287 40.260 39.000 -0.044 0.000 1.144 160 F HN 0.196 nan 8.300 nan 0.000 0.541 161 V N -0.053 119.912 119.914 0.086 0.000 2.495 161 V HA 0.613 4.732 4.120 -0.001 0.000 0.298 161 V C 0.204 176.428 176.094 0.216 0.000 1.031 161 V CA -0.556 61.795 62.300 0.085 0.000 0.871 161 V CB 0.889 32.642 31.823 -0.117 0.000 0.988 161 V HN 0.996 nan 8.190 nan 0.000 0.432 162 T N 3.159 117.924 114.554 0.352 0.000 12.940 162 T HA -0.305 4.045 4.350 -0.001 0.000 0.419 162 T C 1.702 176.642 174.700 0.400 0.000 1.444 162 T CA 2.930 65.293 62.100 0.437 0.000 2.373 162 T CB -1.665 67.347 68.868 0.242 0.000 2.821 162 T HN 2.795 nan 8.240 nan 0.000 0.696 163 G N 1.842 110.811 108.800 0.281 0.000 2.137 163 G HA2 0.108 4.068 3.960 -0.001 0.000 0.237 163 G HA3 0.108 4.068 3.960 -0.001 0.000 0.237 163 G C 0.272 175.316 174.900 0.241 0.000 1.002 163 G CA 0.568 45.811 45.100 0.238 0.000 0.702 163 G HN 1.545 nan 8.290 nan 0.000 0.515 164 G N -1.626 107.314 108.800 0.233 0.000 2.537 164 G HA2 0.379 4.339 3.960 -0.001 0.000 0.273 164 G HA3 0.379 4.339 3.960 -0.001 0.000 0.273 164 G C 0.961 176.037 174.900 0.293 0.000 1.189 164 G CA 0.148 45.395 45.100 0.245 0.000 0.881 164 G HN 0.349 nan 8.290 nan 0.000 0.535 165 W N 0.716 122.060 121.300 0.074 0.000 2.325 165 W HA -0.059 4.601 4.660 -0.001 0.000 0.299 165 W C 0.671 177.221 176.519 0.051 0.000 1.215 165 W CA 1.910 59.283 57.345 0.047 0.000 1.244 165 W CB 0.261 29.730 29.460 0.015 0.000 1.140 165 W HN 0.414 nan 8.180 nan 0.000 0.523 166 V N -2.771 117.270 119.914 0.211 0.000 3.105 166 V HA 0.504 4.623 4.120 -0.001 0.000 0.311 166 V C -0.464 175.721 176.094 0.152 0.000 1.287 166 V CA -1.270 61.100 62.300 0.117 0.000 1.066 166 V CB 1.711 33.622 31.823 0.147 0.000 1.105 166 V HN -0.057 nan 8.190 nan 0.000 0.462 167 M N 4.005 123.726 119.600 0.200 0.000 2.103 167 M HA 0.520 5.000 4.480 -0.001 0.000 0.350 167 M C -2.727 173.728 176.300 0.259 0.000 1.100 167 M CA -1.908 53.518 55.300 0.211 0.000 1.042 167 M CB 1.528 34.278 32.600 0.250 0.000 1.368 167 M HN 0.672 nan 8.290 nan 0.000 0.404 168 P HA 0.095 nan 4.420 nan 0.000 0.274 168 P C -0.904 176.404 177.300 0.013 0.000 1.231 168 P CA -0.102 63.046 63.100 0.080 0.000 0.790 168 P CB 0.598 32.333 31.700 0.057 0.000 0.951 169 D N 0.784 121.149 120.400 -0.057 0.000 2.449 169 D HA -0.072 4.567 4.640 -0.001 0.000 0.236 169 D C 0.650 176.959 176.300 0.016 0.000 1.149 169 D CA 0.644 54.590 54.000 -0.089 0.000 0.878 169 D CB 0.401 41.158 40.800 -0.071 0.000 1.198 169 D HN 0.319 nan 8.370 nan 0.000 0.446 170 E N 1.342 121.601 120.200 0.099 0.000 2.526 170 E HA 0.203 4.552 4.350 -0.001 0.000 0.208 170 E C 0.822 177.592 176.600 0.283 0.000 0.997 170 E CA -0.008 56.516 56.400 0.206 0.000 0.961 170 E CB 0.720 30.570 29.700 0.250 0.000 1.030 170 E HN 0.480 nan 8.360 nan 0.000 0.483 171 A N 1.429 124.357 122.820 0.181 0.000 1.887 171 A HA 0.017 4.336 4.320 -0.001 0.000 0.210 171 A C 1.823 179.271 177.584 -0.227 0.000 1.221 171 A CA 0.579 52.477 52.037 -0.232 0.000 0.635 171 A CB 0.015 18.852 19.000 -0.272 0.000 0.881 171 A HN 0.036 nan 8.150 nan 0.000 0.456 172 N N 0.791 119.455 118.700 -0.061 0.000 2.405 172 N HA 0.002 4.742 4.740 -0.001 0.000 0.175 172 N C 0.496 175.987 175.510 -0.032 0.000 1.051 172 N CA 0.777 53.792 53.050 -0.058 0.000 0.899 172 N CB -0.029 38.473 38.487 0.026 0.000 1.000 172 N HN 0.505 nan 8.380 nan 0.000 0.451 173 S N 0.823 116.515 115.700 -0.014 0.000 2.562 173 S HA 0.016 4.485 4.470 -0.001 0.000 0.281 173 S C 0.044 174.649 174.600 0.008 0.000 1.333 173 S CA -0.530 57.673 58.200 0.005 0.000 1.052 173 S CB 1.073 64.281 63.200 0.013 0.000 0.884 173 S HN 0.214 nan 8.310 nan 0.000 0.506 174 H N 3.312 122.357 119.070 -0.042 0.000 2.582 174 H HA 0.052 4.607 4.556 -0.001 0.000 0.345 174 H C 1.244 176.540 175.328 -0.054 0.000 1.104 174 H CA -0.324 55.687 56.048 -0.062 0.000 1.390 174 H CB 0.544 30.223 29.762 -0.139 0.000 1.461 174 H HN 1.026 nan 8.280 nan 0.000 0.551 175 W N 5.735 126.947 121.300 -0.146 0.000 2.350 175 W HA -0.170 4.489 4.660 -0.001 0.000 0.289 175 W C 1.113 177.701 176.519 0.114 0.000 1.215 175 W CA 0.391 57.725 57.345 -0.017 0.000 1.236 175 W CB -0.509 28.891 29.460 -0.101 0.000 1.130 175 W HN 0.537 nan 8.180 nan 0.000 0.541 176 R N 0.801 120.895 120.500 -0.676 0.000 2.096 176 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 176 R C 2.001 178.126 176.300 -0.292 0.000 1.127 176 R CA 1.932 57.538 56.100 -0.823 0.000 0.968 176 R CB -0.429 29.346 30.300 -0.875 0.000 0.861 176 R HN 0.143 nan 8.270 nan 0.000 0.440 177 N N -0.196 118.419 118.700 -0.141 0.000 2.354 177 N HA -0.057 4.683 4.740 -0.001 0.000 0.179 177 N C 1.695 177.200 175.510 -0.008 0.000 1.021 177 N CA 0.664 53.675 53.050 -0.065 0.000 0.887 177 N CB 0.020 38.489 38.487 -0.029 0.000 0.974 177 N HN 0.002 nan 8.380 nan 0.000 0.437 178 V N 1.304 121.237 119.914 0.031 0.000 2.358 178 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 178 V C 2.293 178.426 176.094 0.065 0.000 1.047 178 V CA 1.001 63.340 62.300 0.065 0.000 1.035 178 V CB -0.425 31.459 31.823 0.101 0.000 0.658 178 V HN 0.190 nan 8.190 nan 0.000 0.452 179 L N -0.301 120.967 121.223 0.074 0.000 2.056 179 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 179 L C 2.170 179.044 176.870 0.007 0.000 1.078 179 L CA 1.802 56.680 54.840 0.065 0.000 0.749 179 L CB -0.691 41.434 42.059 0.110 0.000 0.901 179 L HN 0.277 nan 8.230 nan 0.000 0.433 180 L N -0.041 121.163 121.223 -0.031 0.000 2.012 180 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 180 L C 2.579 179.432 176.870 -0.029 0.000 1.073 180 L CA 2.382 57.193 54.840 -0.049 0.000 0.748 180 L CB -0.797 41.215 42.059 -0.079 0.000 0.891 180 L HN 0.685 nan 8.230 nan 0.000 0.431 181 Q N -1.072 118.734 119.800 0.009 0.000 2.172 181 Q HA -0.180 4.159 4.340 -0.001 0.000 0.200 181 Q C 2.017 178.096 176.000 0.132 0.000 0.964 181 Q CA 1.968 57.811 55.803 0.067 0.000 0.855 181 Q CB -1.158 27.656 28.738 0.126 0.000 0.918 181 Q HN 0.463 nan 8.270 nan 0.000 0.444 182 L N 0.836 122.122 121.223 0.106 0.000 2.046 182 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 182 L C 1.898 178.848 176.870 0.133 0.000 1.077 182 L CA 2.427 57.346 54.840 0.131 0.000 0.747 182 L CB -0.984 41.130 42.059 0.090 0.000 0.896 182 L HN 0.334 nan 8.230 nan 0.000 0.432 183 T N -1.003 113.594 114.554 0.073 0.000 2.777 183 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 183 T C 1.725 176.474 174.700 0.082 0.000 1.040 183 T CA 1.396 63.531 62.100 0.057 0.000 1.141 183 T CB -0.178 68.689 68.868 -0.002 0.000 0.868 183 T HN 0.317 nan 8.240 nan 0.000 0.444 184 E N 1.016 121.234 120.200 0.031 0.000 2.058 184 E HA -0.065 4.285 4.350 -0.001 0.000 0.194 184 E C 2.322 179.043 176.600 0.201 0.000 0.997 184 E CA 1.600 57.972 56.400 -0.046 0.000 0.801 184 E CB -0.859 28.614 29.700 -0.379 0.000 0.746 184 E HN 0.461 nan 8.360 nan 0.000 0.450 185 G N -0.225 108.798 108.800 0.371 0.000 2.394 185 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.215 185 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 185 G C 1.471 176.601 174.900 0.383 0.000 1.165 185 G CA 0.595 46.015 45.100 0.533 0.000 0.784 185 G HN 0.255 nan 8.290 nan 0.000 0.535 186 Q N -0.109 119.848 119.800 0.261 0.000 2.172 186 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 186 Q C 2.764 178.864 176.000 0.167 0.000 0.964 186 Q CA 1.428 57.345 55.803 0.189 0.000 0.855 186 Q CB -0.204 28.626 28.738 0.154 0.000 0.918 186 Q HN 0.406 nan 8.270 nan 0.000 0.444 187 T N 0.123 114.786 114.554 0.182 0.000 2.777 187 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 187 T C 1.085 175.887 174.700 0.170 0.000 1.040 187 T CA 1.019 63.201 62.100 0.136 0.000 1.141 187 T CB -0.352 68.590 68.868 0.122 0.000 0.868 187 T HN 0.475 nan 8.240 nan 0.000 0.444 188 W N 1.634 123.039 121.300 0.175 0.000 2.355 188 W HA -0.047 4.613 4.660 -0.001 0.000 0.309 188 W C 1.766 178.409 176.519 0.208 0.000 1.206 188 W CA 0.933 58.467 57.345 0.314 0.000 1.284 188 W CB -0.446 29.271 29.460 0.428 0.000 1.145 188 W HN 0.144 nan 8.180 nan 0.000 0.502 189 L N 0.611 122.049 121.223 0.357 0.000 2.046 189 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 189 L C 2.622 179.428 176.870 -0.107 0.000 1.077 189 L CA 1.861 56.738 54.840 0.061 0.000 0.747 189 L CB -0.957 41.082 42.059 -0.034 0.000 0.896 189 L HN -0.016 nan 8.230 nan 0.000 0.432 190 K N 0.094 120.453 120.400 -0.068 0.000 2.026 190 K HA -0.271 4.048 4.320 -0.001 0.000 0.208 190 K C 2.203 178.672 176.600 -0.217 0.000 1.048 190 K CA 1.731 57.954 56.287 -0.108 0.000 0.929 190 K CB -0.058 32.402 32.500 -0.066 0.000 0.713 190 K HN 0.248 nan 8.250 nan 0.000 0.439 191 Q N -0.679 118.925 119.800 -0.326 0.000 2.050 191 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 191 Q C 1.537 177.051 176.000 -0.810 0.000 0.980 191 Q CA 1.950 57.397 55.803 -0.595 0.000 0.840 191 Q CB -0.023 28.248 28.738 -0.779 0.000 0.898 191 Q HN 0.360 nan 8.270 nan 0.000 0.424 192 F N -1.578 117.997 119.950 -0.625 0.000 2.656 192 F HA 0.154 4.680 4.527 -0.001 0.000 0.291 192 F C 1.720 177.225 175.800 -0.492 0.000 1.122 192 F CA 0.041 57.620 58.000 -0.702 0.000 1.427 192 F CB 0.504 38.640 39.000 -1.440 0.000 1.125 192 F HN 0.107 nan 8.300 nan 0.000 0.583 193 M N -0.811 118.641 119.600 -0.246 0.000 2.292 193 M HA 0.198 4.678 4.480 -0.001 0.000 0.286 193 M C 0.287 176.570 176.300 -0.028 0.000 1.002 193 M CA 0.283 55.543 55.300 -0.066 0.000 1.029 193 M CB -0.582 32.005 32.600 -0.021 0.000 1.537 193 M HN 0.099 nan 8.290 nan 0.000 0.543 194 N N 1.847 120.494 118.700 -0.088 0.000 2.740 194 N HA -0.138 4.601 4.740 -0.001 0.000 0.248 194 N C -1.015 174.480 175.510 -0.024 0.000 1.062 194 N CA 0.762 53.776 53.050 -0.060 0.000 0.704 194 N CB -1.027 37.438 38.487 -0.038 0.000 0.968 194 N HN 0.331 nan 8.380 nan 0.000 0.547 195 V N -3.903 116.000 119.914 -0.019 0.000 3.049 195 V HA 0.879 4.998 4.120 -0.001 0.000 0.309 195 V C -0.007 176.080 176.094 -0.011 0.000 1.148 195 V CA -0.440 61.865 62.300 0.009 0.000 0.990 195 V CB 2.323 34.200 31.823 0.090 0.000 1.039 195 V HN 0.065 nan 8.190 nan 0.000 0.430 196 T N 3.725 118.260 114.554 -0.031 0.000 3.008 196 T HA 0.548 4.898 4.350 -0.001 0.000 0.328 196 T C -2.756 171.860 174.700 -0.140 0.000 1.020 196 T CA -0.751 61.309 62.100 -0.066 0.000 1.043 196 T CB 1.307 70.124 68.868 -0.085 0.000 1.010 196 T HN 0.760 nan 8.240 nan 0.000 0.466 197 P HA 0.133 nan 4.420 nan 0.000 0.266 197 P C 0.875 177.775 177.300 -0.665 0.000 1.195 197 P CA -0.047 62.932 63.100 -0.203 0.000 0.768 197 P CB 0.532 32.233 31.700 0.001 0.000 0.838 198 T N -1.461 112.758 114.554 -0.559 0.000 3.040 198 T HA 0.522 4.871 4.350 -0.001 0.000 0.266 198 T C 0.372 174.867 174.700 -0.341 0.000 1.005 198 T CA -0.266 61.382 62.100 -0.754 0.000 0.906 198 T CB 0.185 68.835 68.868 -0.364 0.000 1.082 198 T HN 0.401 nan 8.240 nan 0.000 0.531 199 A N 0.871 123.654 122.820 -0.061 0.000 2.331 199 A HA 0.798 5.118 4.320 -0.001 0.000 0.320 199 A C -0.154 177.705 177.584 0.457 0.000 1.138 199 A CA -0.687 51.476 52.037 0.210 0.000 0.790 199 A CB 1.773 20.915 19.000 0.237 0.000 1.206 199 A HN 0.255 nan 8.150 nan 0.000 0.470 200 S N 2.077 118.039 115.700 0.436 0.000 2.549 200 S HA 0.685 5.155 4.470 -0.001 0.000 0.297 200 S C -1.169 173.628 174.600 0.328 0.000 1.115 200 S CA -0.436 57.960 58.200 0.326 0.000 1.059 200 S CB 0.771 63.976 63.200 0.008 0.000 1.046 200 S HN 0.801 nan 8.310 nan 0.000 0.506 201 W N 4.494 125.813 121.300 0.031 0.000 2.587 201 W HA 0.636 5.295 4.660 -0.001 0.000 0.324 201 W C -1.553 174.912 176.519 -0.090 0.000 1.008 201 W CA -0.827 56.489 57.345 -0.049 0.000 1.265 201 W CB 1.124 30.529 29.460 -0.092 0.000 1.328 201 W HN 0.778 nan 8.180 nan 0.000 0.432 202 A N 7.951 130.619 122.820 -0.252 0.000 2.763 202 A HA 0.305 4.624 4.320 -0.001 0.000 0.325 202 A C 0.225 177.543 177.584 -0.444 0.000 1.209 202 A CA -0.496 51.391 52.037 -0.250 0.000 0.764 202 A CB -0.256 18.715 19.000 -0.048 0.000 1.120 202 A HN 0.701 nan 8.150 nan 0.000 0.463 203 I N -2.459 117.669 120.570 -0.737 0.000 3.728 203 I HA 0.279 4.449 4.170 -0.001 0.000 0.307 203 I C 0.750 176.528 176.117 -0.564 0.000 1.276 203 I CA 0.748 61.587 61.300 -0.769 0.000 1.285 203 I CB 0.397 37.702 38.000 -1.159 0.000 1.038 203 I HN 0.348 nan 8.210 nan 0.000 0.445 204 D N 0.449 120.469 120.400 -0.634 0.000 2.489 204 D HA 0.243 4.883 4.640 -0.001 0.000 0.231 204 D C -2.147 173.735 176.300 -0.697 0.000 1.114 204 D CA -0.775 52.853 54.000 -0.620 0.000 0.842 204 D CB 0.076 40.385 40.800 -0.817 0.000 1.133 204 D HN 0.154 nan 8.370 nan 0.000 0.506 205 P HA -0.006 nan 4.420 nan 0.000 0.265 205 P C -0.500 176.361 177.300 -0.732 0.000 1.187 205 P CA 0.198 62.804 63.100 -0.824 0.000 0.766 205 P CB 0.151 31.530 31.700 -0.535 0.000 0.820 206 F N 2.734 122.460 119.950 -0.374 0.000 2.605 206 F HA 0.509 5.036 4.527 -0.001 0.000 0.352 206 F C 1.453 177.202 175.800 -0.085 0.000 1.236 206 F CA -0.581 57.164 58.000 -0.424 0.000 1.267 206 F CB -1.253 37.671 39.000 -0.127 0.000 1.632 206 F HN 0.467 nan 8.300 nan 0.000 0.639 207 G N 1.161 109.706 108.800 -0.426 0.000 2.587 207 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.686 207 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.686 207 G C -1.488 173.026 174.900 -0.644 0.000 1.236 207 G CA -1.187 43.766 45.100 -0.246 0.000 0.820 207 G HN 0.565 nan 8.290 nan 0.000 0.645 208 H N -0.398 118.379 119.070 -0.488 0.000 2.690 208 H HA 0.769 5.325 4.556 -0.001 0.000 0.368 208 H C -0.298 174.899 175.328 -0.218 0.000 1.150 208 H CA 0.018 55.956 56.048 -0.183 0.000 1.174 208 H CB 2.075 31.902 29.762 0.109 0.000 1.684 208 H HN 0.648 nan 8.280 nan 0.000 0.538 209 S N 2.337 118.174 115.700 0.228 0.000 2.501 209 S HA 0.252 4.722 4.470 -0.001 0.000 0.301 209 S C -1.766 172.830 174.600 -0.008 0.000 1.096 209 S CA -1.789 56.550 58.200 0.231 0.000 1.063 209 S CB 1.293 64.683 63.200 0.317 0.000 1.042 209 S HN 0.445 nan 8.310 nan 0.000 0.494 210 P HA 0.007 nan 4.420 nan 0.000 0.230 210 P C 1.108 178.131 177.300 -0.461 0.000 1.158 210 P CA 0.760 63.394 63.100 -0.776 0.000 0.769 210 P CB -0.249 31.165 31.700 -0.476 0.000 0.807 211 T N -0.141 114.293 114.554 -0.199 0.000 2.849 211 T HA -0.101 4.248 4.350 -0.001 0.000 0.270 211 T C 1.818 176.475 174.700 -0.072 0.000 1.066 211 T CA 1.201 63.237 62.100 -0.106 0.000 1.130 211 T CB -0.388 68.461 68.868 -0.031 0.000 0.864 211 T HN 0.001 nan 8.240 nan 0.000 0.481 212 M N 0.903 120.414 119.600 -0.149 0.000 2.064 212 M HA 0.011 4.490 4.480 -0.001 0.000 0.260 212 M C -0.589 175.577 176.300 -0.222 0.000 1.073 212 M CA 1.167 56.380 55.300 -0.144 0.000 1.124 212 M CB -2.475 30.066 32.600 -0.098 0.000 1.326 212 M HN 0.134 nan 8.290 nan 0.000 0.410 213 P HA -0.201 nan 4.420 nan 0.000 0.218 213 P C 1.646 178.828 177.300 -0.197 0.000 1.149 213 P CA 1.409 64.332 63.100 -0.295 0.000 0.817 213 P CB -0.401 31.051 31.700 -0.414 0.000 0.785 214 Y N 1.283 121.403 120.300 -0.301 0.000 2.070 214 Y HA -0.217 4.333 4.550 -0.001 0.000 0.280 214 Y C 2.448 178.269 175.900 -0.132 0.000 1.148 214 Y CA 1.721 59.706 58.100 -0.192 0.000 1.125 214 Y CB -1.038 37.322 38.460 -0.167 0.000 0.975 214 Y HN -0.240 nan 8.280 nan 0.000 0.492 215 I N -0.423 120.136 120.570 -0.017 0.000 2.202 215 I HA -0.315 3.854 4.170 -0.001 0.000 0.242 215 I C 2.341 178.375 176.117 -0.139 0.000 1.091 215 I CA 1.254 62.514 61.300 -0.067 0.000 1.368 215 I CB -0.474 37.562 38.000 0.061 0.000 1.058 215 I HN 0.280 nan 8.210 nan 0.000 0.410 216 L N 0.135 121.231 121.223 -0.211 0.000 2.017 216 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 216 L C 2.714 179.569 176.870 -0.025 0.000 1.073 216 L CA 1.319 55.970 54.840 -0.315 0.000 0.745 216 L CB -0.765 40.925 42.059 -0.614 0.000 0.894 216 L HN 0.358 nan 8.230 nan 0.000 0.432 217 Q N 1.113 120.864 119.800 -0.082 0.000 2.226 217 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 217 Q C 1.692 177.652 176.000 -0.066 0.000 0.975 217 Q CA 1.521 57.297 55.803 -0.043 0.000 0.866 217 Q CB 0.101 28.785 28.738 -0.089 0.000 0.915 217 Q HN 0.467 nan 8.270 nan 0.000 0.440 218 K N -0.491 119.825 120.400 -0.141 0.000 2.444 218 K HA 0.111 4.430 4.320 -0.001 0.000 0.193 218 K C 0.608 177.170 176.600 -0.063 0.000 1.024 218 K CA 0.104 56.303 56.287 -0.147 0.000 1.077 218 K CB 0.517 32.853 32.500 -0.273 0.000 0.833 218 K HN -0.081 nan 8.250 nan 0.000 0.517 219 S N -0.188 115.532 115.700 0.034 0.000 2.741 219 S HA 0.204 4.673 4.470 -0.001 0.000 0.247 219 S C 0.737 175.438 174.600 0.169 0.000 1.050 219 S CA 0.084 58.351 58.200 0.111 0.000 1.025 219 S CB 1.279 64.590 63.200 0.185 0.000 0.897 219 S HN 0.523 nan 8.310 nan 0.000 0.508 220 G N 1.218 110.068 108.800 0.084 0.000 2.179 220 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 220 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 220 G C 0.003 174.881 174.900 -0.037 0.000 0.977 220 G CA -0.312 44.785 45.100 -0.006 0.000 0.641 220 G HN 0.452 nan 8.290 nan 0.000 0.533 221 F N 0.545 120.455 119.950 -0.067 0.000 2.450 221 F HA 0.516 5.042 4.527 -0.001 0.000 0.339 221 F C 1.736 177.477 175.800 -0.098 0.000 1.146 221 F CA 0.423 58.379 58.000 -0.074 0.000 1.267 221 F CB 0.908 39.868 39.000 -0.066 0.000 1.178 221 F HN -0.080 nan 8.300 nan 0.000 0.585 222 K N 0.670 121.085 120.400 0.024 0.000 2.425 222 K HA 0.223 4.542 4.320 -0.001 0.000 0.201 222 K C -0.536 175.997 176.600 -0.111 0.000 1.128 222 K CA 0.013 56.255 56.287 -0.074 0.000 1.000 222 K CB 0.448 32.855 32.500 -0.155 0.000 0.961 222 K HN 0.613 nan 8.250 nan 0.000 0.555 223 N N 0.654 119.276 118.700 -0.131 0.000 2.484 223 N HA 0.406 5.145 4.740 -0.001 0.000 0.269 223 N C -1.364 174.002 175.510 -0.240 0.000 1.237 223 N CA -0.734 52.073 53.050 -0.405 0.000 0.838 223 N CB 2.017 39.708 38.487 -1.327 0.000 1.593 223 N HN -0.060 nan 8.380 nan 0.000 0.485 224 M N -0.187 119.284 119.600 -0.215 0.000 2.569 224 M HA 0.630 5.109 4.480 -0.001 0.000 0.279 224 M C -2.082 174.293 176.300 0.125 0.000 1.253 224 M CA -0.953 54.350 55.300 0.006 0.000 0.867 224 M CB 2.480 35.071 32.600 -0.016 0.000 1.727 224 M HN 0.513 nan 8.290 nan 0.000 0.467 225 L N 3.577 124.885 121.223 0.140 0.000 2.408 225 L HA 0.884 5.223 4.340 -0.001 0.000 0.268 225 L C -1.547 175.201 176.870 -0.204 0.000 0.986 225 L CA -0.730 54.149 54.840 0.064 0.000 0.820 225 L CB 2.089 44.236 42.059 0.147 0.000 1.303 225 L HN 0.950 nan 8.230 nan 0.000 0.411 226 I N 0.970 121.325 120.570 -0.359 0.000 3.042 226 I HA 0.608 4.778 4.170 -0.001 0.000 0.310 226 I C -0.713 175.098 176.117 -0.510 0.000 1.117 226 I CA -0.584 60.311 61.300 -0.675 0.000 1.003 226 I CB 2.260 39.559 38.000 -1.168 0.000 1.228 226 I HN 0.764 nan 8.210 nan 0.000 0.443 227 Q N 2.278 121.851 119.800 -0.378 0.000 2.563 227 Q HA 0.339 4.678 4.340 -0.001 0.000 0.236 227 Q C 0.009 175.906 176.000 -0.172 0.000 0.792 227 Q CA 0.347 56.003 55.803 -0.245 0.000 0.960 227 Q CB 0.565 29.147 28.738 -0.259 0.000 1.304 227 Q HN 0.663 nan 8.270 nan 0.000 0.566 228 R N 2.037 122.448 120.500 -0.150 0.000 2.419 228 R HA 0.338 4.677 4.340 -0.001 0.000 0.305 228 R C -0.712 175.313 176.300 -0.459 0.000 1.242 228 R CA 0.593 56.343 56.100 -0.583 0.000 1.105 228 R CB 0.247 29.815 30.300 -1.220 0.000 1.116 228 R HN 0.390 nan 8.270 nan 0.000 0.523 229 T N -2.346 112.177 114.554 -0.052 0.000 2.916 229 T HA 0.136 4.485 4.350 -0.001 0.000 0.292 229 T C -0.047 174.918 174.700 0.441 0.000 1.055 229 T CA -0.914 61.291 62.100 0.176 0.000 1.009 229 T CB 1.699 70.502 68.868 -0.108 0.000 1.118 229 T HN 0.437 nan 8.240 nan 0.000 0.497 230 H N 1.940 121.236 119.070 0.377 0.000 3.115 230 H HA -0.058 4.497 4.556 -0.001 0.000 0.324 230 H C 1.033 176.402 175.328 0.068 0.000 1.007 230 H CA 0.619 56.766 56.048 0.165 0.000 1.385 230 H CB 0.346 30.227 29.762 0.199 0.000 1.351 230 H HN 0.927 nan 8.280 nan 0.000 0.592 231 Y N 2.231 122.627 120.300 0.160 0.000 2.315 231 Y HA -0.156 4.393 4.550 -0.001 0.000 0.288 231 Y C 2.214 178.273 175.900 0.265 0.000 1.154 231 Y CA 0.881 59.106 58.100 0.208 0.000 1.229 231 Y CB -0.620 37.904 38.460 0.107 0.000 0.980 231 Y HN 0.284 nan 8.280 nan 0.000 0.540 232 S N 0.376 116.102 115.700 0.044 0.000 2.383 232 S HA -0.122 4.348 4.470 -0.001 0.000 0.227 232 S C 2.097 176.609 174.600 -0.148 0.000 1.026 232 S CA 1.233 59.351 58.200 -0.137 0.000 0.981 232 S CB -0.575 62.285 63.200 -0.566 0.000 0.818 232 S HN 0.371 nan 8.310 nan 0.000 0.472 233 V N 1.959 121.844 119.914 -0.048 0.000 2.358 233 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 233 V C 2.222 178.350 176.094 0.056 0.000 1.047 233 V CA 1.580 63.889 62.300 0.016 0.000 1.035 233 V CB -0.536 31.408 31.823 0.202 0.000 0.658 233 V HN 0.403 nan 8.190 nan 0.000 0.452 234 K N 0.182 120.654 120.400 0.121 0.000 2.032 234 K HA -0.259 4.061 4.320 -0.001 0.000 0.209 234 K C 2.270 178.994 176.600 0.206 0.000 1.048 234 K CA 1.892 58.266 56.287 0.144 0.000 0.927 234 K CB -0.250 32.394 32.500 0.241 0.000 0.712 234 K HN 0.356 nan 8.250 nan 0.000 0.441 235 K N 1.155 121.678 120.400 0.205 0.000 2.026 235 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 235 K C 2.143 178.833 176.600 0.151 0.000 1.048 235 K CA 1.790 58.206 56.287 0.214 0.000 0.929 235 K CB 0.028 32.584 32.500 0.092 0.000 0.713 235 K HN -0.008 nan 8.250 nan 0.000 0.439 236 E N 0.798 121.009 120.200 0.018 0.000 2.031 236 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 236 E C 1.928 178.521 176.600 -0.012 0.000 0.994 236 E CA 1.492 57.863 56.400 -0.049 0.000 0.800 236 E CB -0.179 29.444 29.700 -0.129 0.000 0.752 236 E HN 0.347 nan 8.360 nan 0.000 0.447 237 L N -0.162 121.064 121.223 0.004 0.000 2.141 237 L HA -0.060 4.279 4.340 -0.001 0.000 0.209 237 L C 2.513 179.401 176.870 0.029 0.000 1.094 237 L CA 0.872 55.709 54.840 -0.005 0.000 0.763 237 L CB -0.585 41.456 42.059 -0.030 0.000 0.908 237 L HN 0.206 nan 8.230 nan 0.000 0.437 238 A N -0.184 122.701 122.820 0.109 0.000 1.902 238 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 238 A C 2.238 179.996 177.584 0.290 0.000 1.181 238 A CA 1.535 53.690 52.037 0.197 0.000 0.623 238 A CB -0.457 18.806 19.000 0.440 0.000 0.818 238 A HN 0.466 nan 8.150 nan 0.000 0.443 239 Q N -0.937 118.991 119.800 0.214 0.000 2.170 239 Q HA -0.155 4.185 4.340 -0.001 0.000 0.203 239 Q C 1.381 177.380 176.000 -0.002 0.000 0.976 239 Q CA 1.276 57.070 55.803 -0.014 0.000 0.858 239 Q CB -0.048 28.537 28.738 -0.254 0.000 0.907 239 Q HN 0.617 nan 8.270 nan 0.000 0.433 240 Q N -0.127 119.679 119.800 0.009 0.000 2.280 240 Q HA 0.124 4.464 4.340 -0.001 0.000 0.201 240 Q C -0.376 175.643 176.000 0.033 0.000 0.890 240 Q CA 0.006 55.813 55.803 0.006 0.000 0.947 240 Q CB 0.571 29.303 28.738 -0.010 0.000 1.081 240 Q HN 0.283 nan 8.270 nan 0.000 0.502 241 R N 0.759 121.283 120.500 0.041 0.000 3.333 241 R HA -0.211 4.129 4.340 -0.001 0.000 0.256 241 R C -0.131 176.204 176.300 0.060 0.000 1.010 241 R CA 0.468 56.584 56.100 0.028 0.000 0.680 241 R CB -1.941 28.403 30.300 0.074 0.000 1.102 241 R HN 0.393 nan 8.270 nan 0.000 0.440 242 Q N 0.054 119.876 119.800 0.037 0.000 2.186 242 Q HA 0.205 4.544 4.340 -0.001 0.000 0.241 242 Q C 1.238 177.318 176.000 0.134 0.000 0.849 242 Q CA -0.239 55.623 55.803 0.098 0.000 1.053 242 Q CB 0.539 29.300 28.738 0.038 0.000 1.146 242 Q HN 0.434 nan 8.270 nan 0.000 0.475 243 L N 0.049 121.272 121.223 0.001 0.000 2.395 243 L HA 0.038 4.377 4.340 -0.001 0.000 0.218 243 L C 0.318 177.159 176.870 -0.048 0.000 1.130 243 L CA 0.976 55.775 54.840 -0.069 0.000 0.826 243 L CB 0.306 42.109 42.059 -0.427 0.000 0.941 243 L HN 0.189 nan 8.230 nan 0.000 0.451 244 E N 0.008 120.232 120.200 0.039 0.000 2.176 244 E HA 0.519 4.868 4.350 -0.001 0.000 0.267 244 E C -1.222 175.273 176.600 -0.175 0.000 0.893 244 E CA -0.535 55.685 56.400 -0.301 0.000 0.761 244 E CB 1.594 31.263 29.700 -0.052 0.000 1.133 244 E HN -0.008 nan 8.360 nan 0.000 0.409 245 F N -0.198 119.493 119.950 -0.432 0.000 2.711 245 F HA 0.498 5.024 4.527 -0.001 0.000 0.313 245 F C -1.472 174.209 175.800 -0.198 0.000 1.141 245 F CA -1.411 56.477 58.000 -0.187 0.000 0.941 245 F CB 0.797 39.723 39.000 -0.124 0.000 1.349 245 F HN 0.153 nan 8.300 nan 0.000 0.464 246 L N 2.403 123.785 121.223 0.265 0.000 2.259 246 L HA 0.185 4.524 4.340 -0.001 0.000 0.288 246 L C -1.177 175.925 176.870 0.387 0.000 1.051 246 L CA -0.247 54.744 54.840 0.251 0.000 0.824 246 L CB 0.563 42.776 42.059 0.257 0.000 1.206 246 L HN 0.582 nan 8.230 nan 0.000 0.429 247 W N 6.837 128.254 121.300 0.194 0.000 2.387 247 W HA 0.354 5.013 4.660 -0.001 0.000 0.310 247 W C 0.217 176.769 176.519 0.055 0.000 1.181 247 W CA -1.282 56.195 57.345 0.220 0.000 1.333 247 W CB 0.462 30.098 29.460 0.293 0.000 1.286 247 W HN 0.504 nan 8.180 nan 0.000 0.455 248 R N 3.784 124.469 120.500 0.308 0.000 2.856 248 R HA 0.554 4.894 4.340 -0.001 0.000 0.258 248 R C -0.170 176.043 176.300 -0.145 0.000 1.066 248 R CA -0.923 55.184 56.100 0.011 0.000 1.045 248 R CB 1.080 31.367 30.300 -0.021 0.000 1.178 248 R HN 0.242 nan 8.270 nan 0.000 0.499 249 Q N 1.381 120.941 119.800 -0.400 0.000 2.394 249 Q HA 0.066 4.405 4.340 -0.001 0.000 0.248 249 Q C 1.484 177.089 176.000 -0.659 0.000 0.992 249 Q CA 0.084 55.452 55.803 -0.726 0.000 0.888 249 Q CB 0.906 28.787 28.738 -1.429 0.000 1.257 249 Q HN 0.845 nan 8.270 nan 0.000 0.462 250 I N -1.864 118.429 120.570 -0.463 0.000 2.423 250 I HA -0.177 3.992 4.170 -0.001 0.000 0.254 250 I C 1.252 177.303 176.117 -0.110 0.000 1.151 250 I CA 1.440 62.624 61.300 -0.192 0.000 1.421 250 I CB -0.365 37.625 38.000 -0.018 0.000 1.079 250 I HN 0.684 nan 8.210 nan 0.000 0.431 251 W N 1.379 122.745 121.300 0.110 0.000 3.220 251 W HA 0.386 5.045 4.660 -0.001 0.000 0.328 251 W C 0.159 176.760 176.519 0.136 0.000 1.205 251 W CA -0.796 56.676 57.345 0.211 0.000 1.773 251 W CB -0.715 28.956 29.460 0.352 0.000 1.086 251 W HN -0.067 nan 8.180 nan 0.000 0.622 252 D N 1.687 121.803 120.400 -0.474 0.000 2.422 252 D HA 0.020 4.660 4.640 -0.001 0.000 0.227 252 D C 1.004 177.273 176.300 -0.052 0.000 1.190 252 D CA 0.235 54.099 54.000 -0.226 0.000 0.905 252 D CB 0.136 40.716 40.800 -0.366 0.000 1.034 252 D HN 0.048 nan 8.370 nan 0.000 0.507 253 N N 3.086 121.817 118.700 0.051 0.000 2.216 253 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 253 N C 1.364 176.893 175.510 0.032 0.000 1.017 253 N CA 0.589 53.665 53.050 0.043 0.000 0.861 253 N CB 0.271 38.804 38.487 0.076 0.000 0.986 253 N HN 0.442 nan 8.380 nan 0.000 0.428 254 K N 0.042 120.467 120.400 0.042 0.000 2.116 254 K HA -0.038 4.282 4.320 -0.001 0.000 0.203 254 K C 0.849 177.465 176.600 0.027 0.000 1.052 254 K CA 1.177 57.486 56.287 0.037 0.000 0.952 254 K CB 0.166 32.694 32.500 0.047 0.000 0.729 254 K HN 0.206 nan 8.250 nan 0.000 0.446 255 G N 0.857 109.665 108.800 0.013 0.000 2.148 255 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.203 255 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.203 255 G C 0.144 175.053 174.900 0.014 0.000 0.993 255 G CA 0.342 45.449 45.100 0.012 0.000 0.661 255 G HN 0.376 nan 8.290 nan 0.000 0.518 256 D N 0.624 121.033 120.400 0.015 0.000 2.348 256 D HA -0.008 4.631 4.640 -0.001 0.000 0.216 256 D C 2.531 178.828 176.300 -0.005 0.000 0.970 256 D CA 1.637 55.644 54.000 0.012 0.000 0.889 256 D CB -0.132 40.680 40.800 0.021 0.000 0.912 256 D HN 0.656 nan 8.370 nan 0.000 0.524 257 T N -1.980 112.563 114.554 -0.020 0.000 3.100 257 T HA 0.301 4.651 4.350 -0.001 0.000 0.253 257 T C 1.021 175.694 174.700 -0.044 0.000 1.118 257 T CA -0.138 61.934 62.100 -0.047 0.000 1.058 257 T CB 0.038 68.868 68.868 -0.063 0.000 0.953 257 T HN 0.057 nan 8.240 nan 0.000 0.515 258 A N 1.502 124.319 122.820 -0.005 0.000 2.567 258 A HA 0.502 4.821 4.320 -0.001 0.000 0.240 258 A C -0.213 177.402 177.584 0.051 0.000 1.053 258 A CA -0.222 51.843 52.037 0.046 0.000 0.755 258 A CB -0.252 18.796 19.000 0.080 0.000 0.978 258 A HN 0.568 nan 8.150 nan 0.000 0.507 259 L N 3.228 124.504 121.223 0.088 0.000 2.409 259 L HA 0.570 4.909 4.340 -0.001 0.000 0.272 259 L C -0.626 176.307 176.870 0.105 0.000 0.980 259 L CA -0.589 54.295 54.840 0.073 0.000 0.826 259 L CB 1.413 43.483 42.059 0.018 0.000 1.268 259 L HN 0.656 nan 8.230 nan 0.000 0.407 260 F N 3.980 123.896 119.950 -0.057 0.000 2.578 260 F HA 0.391 4.918 4.527 -0.001 0.000 0.381 260 F C 0.022 175.707 175.800 -0.191 0.000 1.069 260 F CA 0.769 58.700 58.000 -0.115 0.000 1.231 260 F CB 0.432 39.381 39.000 -0.086 0.000 1.086 260 F HN 0.580 nan 8.300 nan 0.000 0.564 261 T N 5.380 119.345 114.554 -0.982 0.000 2.861 261 T HA 0.212 4.561 4.350 -0.001 0.000 0.287 261 T C -1.612 172.463 174.700 -1.042 0.000 1.003 261 T CA -0.485 61.123 62.100 -0.819 0.000 0.977 261 T CB 0.990 69.364 68.868 -0.822 0.000 0.996 261 T HN 0.609 nan 8.240 nan 0.000 0.448 262 H N 2.701 121.476 119.070 -0.491 0.000 2.551 262 H HA 0.613 5.169 4.556 -0.001 0.000 0.321 262 H C -0.408 174.737 175.328 -0.305 0.000 1.028 262 H CA -0.735 55.140 56.048 -0.288 0.000 1.215 262 H CB 0.723 30.531 29.762 0.077 0.000 1.414 262 H HN 0.494 nan 8.280 nan 0.000 0.480 263 M N 6.743 126.030 119.600 -0.522 0.000 2.157 263 M HA 0.297 4.777 4.480 -0.001 0.000 0.354 263 M C -0.891 175.175 176.300 -0.390 0.000 1.170 263 M CA -0.590 54.467 55.300 -0.406 0.000 1.060 263 M CB 0.669 33.070 32.600 -0.331 0.000 1.615 263 M HN 0.694 nan 8.290 nan 0.000 0.460 264 M N 6.777 126.231 119.600 -0.243 0.000 2.245 264 M HA 0.174 4.653 4.480 -0.001 0.000 0.330 264 M C -1.565 174.586 176.300 -0.249 0.000 1.098 264 M CA -1.212 53.984 55.300 -0.174 0.000 1.172 264 M CB 0.236 32.754 32.600 -0.137 0.000 1.467 264 M HN 0.475 nan 8.290 nan 0.000 0.454 265 P HA 0.093 nan 4.420 nan 0.000 0.239 265 P C -0.399 176.659 177.300 -0.403 0.000 1.188 265 P CA 1.010 63.741 63.100 -0.615 0.000 0.794 265 P CB 0.229 31.199 31.700 -1.215 0.000 0.937 266 F N -2.547 117.396 119.950 -0.012 0.000 2.535 266 F HA 0.311 4.837 4.527 -0.001 0.000 0.367 266 F C 2.115 177.999 175.800 0.141 0.000 1.096 266 F CA -1.282 56.753 58.000 0.059 0.000 1.088 266 F CB 0.043 39.015 39.000 -0.046 0.000 1.387 266 F HN -0.307 nan 8.300 nan 0.000 0.494 267 Y N 0.390 120.838 120.300 0.247 0.000 2.352 267 Y HA 0.042 4.592 4.550 -0.001 0.000 0.292 267 Y C 0.834 176.652 175.900 -0.137 0.000 1.136 267 Y CA 1.141 59.244 58.100 0.005 0.000 1.227 267 Y CB 0.030 38.402 38.460 -0.146 0.000 0.991 267 Y HN 0.347 nan 8.280 nan 0.000 0.545 268 S N -1.823 113.734 115.700 -0.239 0.000 2.638 268 S HA 0.251 4.721 4.470 -0.001 0.000 0.274 268 S C -0.378 174.141 174.600 -0.136 0.000 1.157 268 S CA -0.380 57.577 58.200 -0.404 0.000 0.826 268 S CB 0.264 63.157 63.200 -0.512 0.000 1.139 268 S HN 0.281 nan 8.310 nan 0.000 0.474 269 Y N 0.789 121.046 120.300 -0.072 0.000 2.466 269 Y HA 0.310 4.859 4.550 -0.001 0.000 0.272 269 Y C 0.463 176.446 175.900 0.137 0.000 1.169 269 Y CA -0.535 57.548 58.100 -0.028 0.000 1.285 269 Y CB -1.007 37.346 38.460 -0.179 0.000 1.078 269 Y HN 0.553 nan 8.280 nan 0.000 0.523 270 D N 0.685 121.079 120.400 -0.009 0.000 2.371 270 D HA -0.023 4.617 4.640 -0.001 0.000 0.242 270 D C 1.226 177.652 176.300 0.210 0.000 1.218 270 D CA -0.396 53.698 54.000 0.158 0.000 0.945 270 D CB 0.820 41.671 40.800 0.084 0.000 1.137 270 D HN 0.245 nan 8.370 nan 0.000 0.464 271 I N -0.198 120.473 120.570 0.168 0.000 2.226 271 I HA -0.151 4.018 4.170 -0.001 0.000 0.245 271 I C -0.751 175.396 176.117 0.051 0.000 1.100 271 I CA 0.858 62.240 61.300 0.137 0.000 1.374 271 I CB -1.176 36.892 38.000 0.114 0.000 1.057 271 I HN 0.342 nan 8.210 nan 0.000 0.413 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 0.578 177.546 177.300 -0.553 0.000 1.146 272 P CA 1.639 64.543 63.100 -0.326 0.000 0.813 272 P CB -0.107 31.396 31.700 -0.329 0.000 0.778 273 H N -3.086 115.959 119.070 -0.042 0.000 2.486 273 H HA 0.225 4.780 4.556 -0.001 0.000 0.284 273 H C 0.857 176.254 175.328 0.115 0.000 1.103 273 H CA 0.538 56.564 56.048 -0.038 0.000 1.089 273 H CB -0.215 29.605 29.762 0.097 0.000 1.603 273 H HN 0.104 nan 8.280 nan 0.000 0.557 274 T N -4.178 110.478 114.554 0.171 0.000 3.016 274 T HA -0.014 4.336 4.350 -0.001 0.000 0.271 274 T C 1.745 176.568 174.700 0.205 0.000 0.968 274 T CA 0.352 62.596 62.100 0.239 0.000 0.891 274 T CB -0.680 68.324 68.868 0.226 0.000 1.149 274 T HN 0.512 nan 8.240 nan 0.000 0.524 275 c N 1.319 119.997 118.600 0.130 0.000 2.563 275 c HA 0.737 5.306 4.570 -0.001 0.000 0.268 275 c C 1.303 175.503 174.090 0.184 0.000 1.365 275 c CA 0.369 56.822 56.329 0.206 0.000 1.754 275 c CB -1.022 41.579 42.510 0.151 0.000 1.932 275 c HN 0.863 nan 8.230 nan 0.000 0.536 276 G N -0.147 108.653 108.800 -0.000 0.000 2.317 276 G HA2 0.379 4.339 3.960 -0.001 0.000 0.293 276 G HA3 0.379 4.339 3.960 -0.001 0.000 0.293 276 G C -2.640 171.757 174.900 -0.838 0.000 1.287 276 G CA 0.223 45.250 45.100 -0.122 0.000 0.850 276 G HN -0.118 nan 8.290 nan 0.000 0.515 277 P HA 0.047 nan 4.420 nan 0.000 0.222 277 P C -0.057 176.829 177.300 -0.690 0.000 1.147 277 P CA 1.201 63.639 63.100 -1.104 0.000 0.790 277 P CB 0.313 31.710 31.700 -0.504 0.000 0.780 278 D N 0.524 120.615 120.400 -0.514 0.000 2.460 278 D HA 0.144 4.784 4.640 -0.001 0.000 0.232 278 D C -1.464 174.482 176.300 -0.590 0.000 1.079 278 D CA -2.640 51.104 54.000 -0.428 0.000 0.864 278 D CB 1.287 41.923 40.800 -0.273 0.000 1.048 278 D HN 0.005 nan 8.370 nan 0.000 0.523 279 P HA -0.149 nan 4.420 nan 0.000 0.222 279 P C 1.207 177.669 177.300 -1.396 0.000 1.147 279 P CA 0.684 63.005 63.100 -1.299 0.000 0.790 279 P CB 0.512 31.136 31.700 -1.793 0.000 0.780 280 K N 0.253 119.981 120.400 -1.120 0.000 2.211 280 K HA -0.051 4.269 4.320 -0.001 0.000 0.203 280 K C 1.765 178.176 176.600 -0.315 0.000 1.050 280 K CA 0.949 56.886 56.287 -0.584 0.000 0.945 280 K CB -0.160 32.197 32.500 -0.238 0.000 0.732 280 K HN -0.055 nan 8.250 nan 0.000 0.451 281 V N 0.302 120.032 119.914 -0.306 0.000 2.426 281 V HA -0.213 3.906 4.120 -0.001 0.000 0.242 281 V C 2.360 178.420 176.094 -0.057 0.000 1.036 281 V CA 1.231 63.452 62.300 -0.132 0.000 1.044 281 V CB -0.219 31.542 31.823 -0.103 0.000 0.688 281 V HN 0.466 nan 8.190 nan 0.000 0.462 282 c N -0.637 117.852 118.600 -0.185 0.000 2.411 282 c HA -0.216 4.354 4.570 -0.001 0.000 0.279 282 c C 2.981 177.032 174.090 -0.066 0.000 1.288 282 c CA 0.856 57.140 56.329 -0.075 0.000 1.764 282 c CB -1.517 40.864 42.510 -0.215 0.000 1.974 282 c HN 0.760 nan 8.230 nan 0.000 0.498 283 c N 0.824 119.294 118.600 -0.217 0.000 2.411 283 c HA -0.165 4.405 4.570 -0.001 0.000 0.279 283 c C 2.652 176.625 174.090 -0.196 0.000 1.288 283 c CA 1.298 57.551 56.329 -0.127 0.000 1.764 283 c CB -1.460 41.057 42.510 0.013 0.000 1.974 283 c HN 0.640 nan 8.230 nan 0.000 0.498 284 Q N -1.380 118.247 119.800 -0.287 0.000 2.488 284 Q HA -0.037 4.302 4.340 -0.001 0.000 0.211 284 Q C 0.656 175.964 176.000 -1.153 0.000 0.967 284 Q CA 1.041 56.481 55.803 -0.605 0.000 0.926 284 Q CB -0.037 28.331 28.738 -0.616 0.000 0.992 284 Q HN 0.758 nan 8.270 nan 0.000 0.506 285 F N -0.263 119.394 119.950 -0.489 0.000 2.708 285 F HA 0.171 4.697 4.527 -0.001 0.000 0.300 285 F C 0.207 175.732 175.800 -0.458 0.000 1.118 285 F CA -0.568 57.043 58.000 -0.648 0.000 1.307 285 F CB 0.755 39.618 39.000 -0.228 0.000 0.986 285 F HN -0.156 nan 8.300 nan 0.000 0.522 286 D N 0.124 120.292 120.400 -0.387 0.000 2.485 286 D HA 0.137 4.777 4.640 -0.001 0.000 0.229 286 D C 0.580 176.689 176.300 -0.318 0.000 1.101 286 D CA -0.391 53.508 54.000 -0.170 0.000 0.906 286 D CB 0.087 40.836 40.800 -0.084 0.000 1.019 286 D HN 0.106 nan 8.370 nan 0.000 0.516 287 F N 1.687 121.634 119.950 -0.004 0.000 2.722 287 F HA 0.044 4.571 4.527 -0.001 0.000 0.298 287 F C 2.357 178.091 175.800 -0.109 0.000 1.175 287 F CA 0.399 58.367 58.000 -0.053 0.000 1.462 287 F CB 0.070 39.061 39.000 -0.016 0.000 1.111 287 F HN 0.253 nan 8.300 nan 0.000 0.592 288 K N 0.834 121.156 120.400 -0.130 0.000 2.487 288 K HA 0.047 4.366 4.320 -0.001 0.000 0.192 288 K C 0.798 177.331 176.600 -0.111 0.000 1.027 288 K CA 0.189 56.246 56.287 -0.382 0.000 1.054 288 K CB 0.116 32.251 32.500 -0.609 0.000 0.824 288 K HN 0.174 nan 8.250 nan 0.000 0.510 289 R N 0.429 120.901 120.500 -0.048 0.000 3.782 289 R HA 0.199 4.539 4.340 -0.001 0.000 0.291 289 R C 0.652 176.976 176.300 0.041 0.000 1.539 289 R CA -0.153 55.951 56.100 0.007 0.000 1.345 289 R CB 0.189 30.473 30.300 -0.027 0.000 1.408 289 R HN 0.176 nan 8.270 nan 0.000 0.654 290 M N -1.258 118.414 119.600 0.120 0.000 2.382 290 M HA 0.187 4.667 4.480 -0.001 0.000 0.247 290 M C 1.106 177.448 176.300 0.071 0.000 1.104 290 M CA 0.485 55.838 55.300 0.088 0.000 1.030 290 M CB 1.184 33.849 32.600 0.109 0.000 1.424 290 M HN 0.585 nan 8.290 nan 0.000 0.486 291 G N -0.062 108.793 108.800 0.092 0.000 3.753 291 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.196 291 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.196 291 G C 0.941 175.844 174.900 0.004 0.000 1.538 291 G CA 0.242 45.365 45.100 0.039 0.000 1.040 291 G HN 0.379 nan 8.290 nan 0.000 0.427 292 S N 0.392 116.055 115.700 -0.063 0.000 2.469 292 S HA 0.160 4.629 4.470 -0.001 0.000 0.238 292 S C 1.762 176.168 174.600 -0.323 0.000 0.998 292 S CA 1.629 59.697 58.200 -0.221 0.000 0.957 292 S CB -0.439 62.550 63.200 -0.353 0.000 0.764 292 S HN 0.409 nan 8.310 nan 0.000 0.514 293 F N 1.786 121.730 119.950 -0.010 0.000 2.727 293 F HA 0.407 4.934 4.527 -0.001 0.000 0.302 293 F C 1.840 177.634 175.800 -0.010 0.000 1.097 293 F CA 0.025 58.018 58.000 -0.013 0.000 1.330 293 F CB -0.130 38.859 39.000 -0.019 0.000 1.084 293 F HN 0.354 nan 8.300 nan 0.000 0.578 294 G N 1.554 110.422 108.800 0.112 0.000 2.221 294 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.265 294 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.265 294 G C -0.208 174.741 174.900 0.083 0.000 1.041 294 G CA 0.112 45.255 45.100 0.072 0.000 0.807 294 G HN 0.328 nan 8.290 nan 0.000 0.502 295 L N -0.275 121.011 121.223 0.104 0.000 2.354 295 L HA 0.863 5.203 4.340 -0.001 0.000 0.264 295 L C 0.435 177.336 176.870 0.051 0.000 1.008 295 L CA -0.389 54.494 54.840 0.071 0.000 0.819 295 L CB 2.432 44.532 42.059 0.068 0.000 1.339 295 L HN 0.476 nan 8.230 nan 0.000 0.420 296 S N -0.749 114.968 115.700 0.029 0.000 2.688 296 S HA 0.523 4.993 4.470 -0.001 0.000 0.275 296 S C -1.289 173.322 174.600 0.018 0.000 1.175 296 S CA -0.809 57.400 58.200 0.015 0.000 0.818 296 S CB 1.587 64.786 63.200 -0.000 0.000 1.157 296 S HN 0.518 nan 8.310 nan 0.000 0.482 297 c N 3.082 121.698 118.600 0.026 0.000 2.265 297 c HA 0.557 5.127 4.570 -0.001 0.000 0.332 297 c C -1.015 173.064 174.090 -0.019 0.000 1.248 297 c CA -1.156 55.230 56.329 0.094 0.000 1.727 297 c CB 0.817 43.419 42.510 0.153 0.000 2.348 297 c HN 0.756 nan 8.230 nan 0.000 0.519 298 P HA -0.067 nan 4.420 nan 0.000 0.233 298 P C 1.005 178.019 177.300 -0.478 0.000 1.167 298 P CA 1.106 63.937 63.100 -0.448 0.000 0.770 298 P CB 0.096 31.387 31.700 -0.682 0.000 0.837 299 W N 0.922 122.196 121.300 -0.043 0.000 3.292 299 W HA 0.165 4.825 4.660 -0.001 0.000 0.263 299 W C 0.663 177.153 176.519 -0.049 0.000 1.318 299 W CA 0.087 57.403 57.345 -0.049 0.000 1.663 299 W CB -0.499 28.922 29.460 -0.065 0.000 1.114 299 W HN 0.154 nan 8.180 nan 0.000 0.706 300 K N -1.137 119.302 120.400 0.065 0.000 3.472 300 K HA -0.193 4.126 4.320 -0.001 0.000 0.315 300 K C -0.273 176.345 176.600 0.030 0.000 1.320 300 K CA 0.621 56.925 56.287 0.027 0.000 0.962 300 K CB -2.009 30.496 32.500 0.008 0.000 1.251 300 K HN -0.094 nan 8.250 nan 0.000 0.443 301 V N 1.870 121.814 119.914 0.051 0.000 2.378 301 V HA 0.320 4.440 4.120 -0.001 0.000 0.288 301 V C -1.760 174.317 176.094 -0.028 0.000 1.016 301 V CA -1.548 60.752 62.300 0.000 0.000 0.840 301 V CB 1.407 33.223 31.823 -0.012 0.000 0.994 301 V HN -0.025 nan 8.190 nan 0.000 0.431 302 P HA 0.426 nan 4.420 nan 0.000 0.278 302 P C -2.823 174.381 177.300 -0.161 0.000 1.258 302 P CA -2.044 61.008 63.100 -0.079 0.000 0.811 302 P CB 0.876 32.545 31.700 -0.051 0.000 1.063 303 P HA 0.314 nan 4.420 nan 0.000 0.274 303 P C -0.483 176.707 177.300 -0.184 0.000 1.237 303 P CA -0.099 62.778 63.100 -0.372 0.000 0.793 303 P CB 0.926 32.307 31.700 -0.533 0.000 0.977 304 R N -0.092 120.314 120.500 -0.155 0.000 2.621 304 R HA 0.405 4.744 4.340 -0.001 0.000 0.292 304 R C -0.191 176.166 176.300 0.096 0.000 0.969 304 R CA -0.576 55.506 56.100 -0.030 0.000 0.887 304 R CB 1.398 31.657 30.300 -0.068 0.000 1.180 304 R HN 0.369 nan 8.270 nan 0.000 0.450 305 T N 3.923 118.527 114.554 0.085 0.000 2.934 305 T HA 0.051 4.401 4.350 -0.001 0.000 0.306 305 T C 0.671 175.365 174.700 -0.009 0.000 1.042 305 T CA 0.136 62.264 62.100 0.046 0.000 1.145 305 T CB 0.196 69.069 68.868 0.008 0.000 0.982 305 T HN 0.196 nan 8.240 nan 0.000 0.544 306 I N 3.876 124.390 120.570 -0.093 0.000 2.441 306 I HA 0.250 4.419 4.170 -0.001 0.000 0.287 306 I C 0.998 177.066 176.117 -0.082 0.000 1.049 306 I CA 0.008 61.252 61.300 -0.092 0.000 1.381 306 I CB 0.310 38.212 38.000 -0.163 0.000 1.409 306 I HN 0.765 nan 8.210 nan 0.000 0.523 307 S N 3.680 119.344 115.700 -0.060 0.000 2.704 307 S HA 0.451 4.920 4.470 -0.001 0.000 0.296 307 S C 0.353 174.924 174.600 -0.049 0.000 1.138 307 S CA -0.726 57.446 58.200 -0.047 0.000 0.875 307 S CB 2.079 65.259 63.200 -0.033 0.000 1.151 307 S HN 0.485 nan 8.310 nan 0.000 0.500 308 D N 0.554 120.935 120.400 -0.031 0.000 2.218 308 D HA -0.022 4.617 4.640 -0.001 0.000 0.204 308 D C 1.653 177.932 176.300 -0.035 0.000 0.976 308 D CA 1.377 55.362 54.000 -0.025 0.000 0.853 308 D CB -0.234 40.565 40.800 -0.002 0.000 0.939 308 D HN 0.524 nan 8.370 nan 0.000 0.481 309 Q N -0.020 119.762 119.800 -0.030 0.000 2.311 309 Q HA -0.008 4.331 4.340 -0.001 0.000 0.203 309 Q C 1.213 177.190 176.000 -0.039 0.000 0.954 309 Q CA 0.879 56.666 55.803 -0.028 0.000 0.885 309 Q CB -0.074 28.653 28.738 -0.019 0.000 0.963 309 Q HN 0.369 nan 8.270 nan 0.000 0.471 310 N N -1.625 117.043 118.700 -0.052 0.000 2.171 310 N HA -0.010 4.730 4.740 -0.001 0.000 0.212 310 N C 1.063 176.523 175.510 -0.083 0.000 1.184 310 N CA 0.119 53.137 53.050 -0.053 0.000 0.888 310 N CB -0.229 38.234 38.487 -0.039 0.000 1.038 310 N HN 0.047 nan 8.380 nan 0.000 0.517 311 V N 0.488 120.317 119.914 -0.140 0.000 2.490 311 V HA -0.085 4.035 4.120 -0.001 0.000 0.250 311 V C 2.220 178.088 176.094 -0.376 0.000 1.061 311 V CA 2.064 64.225 62.300 -0.232 0.000 1.064 311 V CB -0.843 30.821 31.823 -0.264 0.000 0.670 311 V HN 0.445 nan 8.190 nan 0.000 0.461 312 A N -0.264 122.315 122.820 -0.402 0.000 1.898 312 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 312 A C 2.405 180.013 177.584 0.039 0.000 1.181 312 A CA 1.972 53.886 52.037 -0.204 0.000 0.620 312 A CB -0.931 18.068 19.000 -0.002 0.000 0.819 312 A HN 0.786 nan 8.150 nan 0.000 0.442 313 A N -0.553 122.271 122.820 0.007 0.000 1.930 313 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 313 A C 2.219 179.836 177.584 0.055 0.000 1.175 313 A CA 1.199 53.261 52.037 0.043 0.000 0.627 313 A CB -0.381 18.630 19.000 0.018 0.000 0.815 313 A HN 0.404 nan 8.150 nan 0.000 0.443 314 R N 0.049 120.576 120.500 0.044 0.000 2.075 314 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 314 R C 2.341 178.673 176.300 0.053 0.000 1.126 314 R CA 1.521 57.708 56.100 0.147 0.000 0.963 314 R CB -0.906 29.489 30.300 0.158 0.000 0.858 314 R HN 0.516 nan 8.270 nan 0.000 0.435 315 S N 1.320 117.000 115.700 -0.033 0.000 2.383 315 S HA -0.102 4.367 4.470 -0.001 0.000 0.227 315 S C 1.322 175.797 174.600 -0.208 0.000 1.026 315 S CA 1.178 59.265 58.200 -0.187 0.000 0.981 315 S CB -0.166 63.067 63.200 0.055 0.000 0.818 315 S HN 0.255 nan 8.310 nan 0.000 0.472 316 D N 1.669 122.132 120.400 0.105 0.000 2.104 316 D HA -0.076 4.563 4.640 -0.001 0.000 0.194 316 D C 1.908 178.208 176.300 0.000 0.000 0.994 316 D CA 0.880 55.000 54.000 0.200 0.000 0.830 316 D CB -0.401 40.520 40.800 0.203 0.000 0.959 316 D HN 0.289 nan 8.370 nan 0.000 0.452 317 L N -0.034 121.162 121.223 -0.044 0.000 2.017 317 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 317 L C 2.416 179.092 176.870 -0.324 0.000 1.073 317 L CA 0.509 55.296 54.840 -0.088 0.000 0.745 317 L CB -0.245 41.841 42.059 0.045 0.000 0.894 317 L HN 0.086 nan 8.230 nan 0.000 0.432 318 L N -0.648 120.189 121.223 -0.644 0.000 2.005 318 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 318 L C 2.372 178.538 176.870 -1.172 0.000 1.072 318 L CA 1.625 55.750 54.840 -1.191 0.000 0.744 318 L CB -0.447 40.608 42.059 -1.673 0.000 0.895 318 L HN -0.077 nan 8.230 nan 0.000 0.433 319 V N 0.059 119.393 119.914 -0.966 0.000 2.392 319 V HA -0.322 3.798 4.120 -0.001 0.000 0.249 319 V C 2.315 178.231 176.094 -0.296 0.000 1.059 319 V CA 1.964 63.864 62.300 -0.667 0.000 1.051 319 V CB -0.851 30.515 31.823 -0.761 0.000 0.658 319 V HN 0.611 nan 8.190 nan 0.000 0.455 320 D N -0.891 119.396 120.400 -0.188 0.000 2.117 320 D HA -0.192 4.448 4.640 -0.001 0.000 0.198 320 D C 2.225 178.511 176.300 -0.025 0.000 0.982 320 D CA 1.032 55.046 54.000 0.023 0.000 0.828 320 D CB -0.020 40.851 40.800 0.117 0.000 0.967 320 D HN 0.283 nan 8.370 nan 0.000 0.464 321 Q N -0.416 119.294 119.800 -0.151 0.000 2.084 321 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 321 Q C 2.098 178.119 176.000 0.036 0.000 0.978 321 Q CA 1.011 56.750 55.803 -0.108 0.000 0.844 321 Q CB -0.585 28.020 28.738 -0.221 0.000 0.898 321 Q HN 0.559 nan 8.270 nan 0.000 0.426 322 W N 1.425 122.622 121.300 -0.173 0.000 2.358 322 W HA -0.086 4.573 4.660 -0.001 0.000 0.303 322 W C 2.051 178.461 176.519 -0.182 0.000 1.208 322 W CA 0.707 57.950 57.345 -0.169 0.000 1.274 322 W CB -0.642 28.688 29.460 -0.217 0.000 1.138 322 W HN 0.214 nan 8.180 nan 0.000 0.515 323 K N 0.190 120.560 120.400 -0.050 0.000 2.211 323 K HA -0.131 4.188 4.320 -0.001 0.000 0.203 323 K C 1.904 178.377 176.600 -0.211 0.000 1.050 323 K CA 1.138 57.240 56.287 -0.308 0.000 0.945 323 K CB -0.174 31.789 32.500 -0.895 0.000 0.732 323 K HN 0.102 nan 8.250 nan 0.000 0.451 324 K N 0.935 121.311 120.400 -0.041 0.000 2.062 324 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 324 K C 2.093 178.775 176.600 0.137 0.000 1.051 324 K CA 1.046 57.426 56.287 0.154 0.000 0.941 324 K CB 0.029 32.625 32.500 0.159 0.000 0.719 324 K HN 0.001 nan 8.250 nan 0.000 0.440 325 K N 0.922 121.405 120.400 0.139 0.000 2.057 325 K HA -0.111 4.209 4.320 -0.001 0.000 0.207 325 K C 2.040 178.764 176.600 0.207 0.000 1.049 325 K CA 1.233 57.629 56.287 0.182 0.000 0.931 325 K CB -0.088 32.544 32.500 0.220 0.000 0.714 325 K HN 0.126 nan 8.250 nan 0.000 0.440 326 A N 1.251 124.173 122.820 0.170 0.000 2.019 326 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 326 A C 1.707 179.459 177.584 0.280 0.000 1.164 326 A CA 1.360 53.529 52.037 0.220 0.000 0.644 326 A CB -0.333 18.747 19.000 0.134 0.000 0.805 326 A HN 0.318 nan 8.150 nan 0.000 0.449 327 E N 0.015 120.359 120.200 0.240 0.000 2.338 327 E HA -0.082 4.268 4.350 -0.001 0.000 0.197 327 E C 1.638 178.368 176.600 0.217 0.000 1.007 327 E CA 0.617 57.169 56.400 0.253 0.000 0.849 327 E CB -0.237 29.638 29.700 0.292 0.000 0.774 327 E HN 0.724 nan 8.360 nan 0.000 0.506 328 L N -0.544 120.767 121.223 0.147 0.000 2.554 328 L HA 0.025 4.365 4.340 -0.001 0.000 0.226 328 L C 0.295 176.977 176.870 -0.315 0.000 1.137 328 L CA 0.326 55.124 54.840 -0.070 0.000 0.863 328 L CB -0.108 41.790 42.059 -0.268 0.000 0.985 328 L HN 0.008 nan 8.230 nan 0.000 0.451 329 Y N -1.601 118.781 120.300 0.137 0.000 2.630 329 Y HA 0.373 4.923 4.550 -0.001 0.000 0.337 329 Y C 1.203 177.221 175.900 0.197 0.000 1.051 329 Y CA -0.976 57.227 58.100 0.172 0.000 1.121 329 Y CB 1.114 39.688 38.460 0.189 0.000 1.299 329 Y HN -0.288 nan 8.280 nan 0.000 0.498 330 R N -0.554 120.191 120.500 0.408 0.000 2.254 330 R HA 0.073 4.413 4.340 -0.001 0.000 0.195 330 R C 0.400 176.837 176.300 0.228 0.000 0.957 330 R CA 0.858 57.110 56.100 0.255 0.000 1.024 330 R CB 0.165 30.551 30.300 0.143 0.000 0.952 330 R HN 0.764 nan 8.270 nan 0.000 0.484 331 T N -0.770 113.958 114.554 0.289 0.000 2.889 331 T HA 0.109 4.458 4.350 -0.001 0.000 0.278 331 T C 0.601 175.442 174.700 0.234 0.000 0.995 331 T CA -0.922 61.312 62.100 0.222 0.000 0.966 331 T CB 1.147 70.124 68.868 0.181 0.000 1.237 331 T HN 0.080 nan 8.240 nan 0.000 0.591 332 N N -0.064 118.739 118.700 0.172 0.000 2.327 332 N HA 0.165 4.904 4.740 -0.001 0.000 0.231 332 N C -0.769 174.705 175.510 -0.060 0.000 1.130 332 N CA -0.392 52.717 53.050 0.098 0.000 0.845 332 N CB -0.088 38.377 38.487 -0.036 0.000 1.073 332 N HN 0.373 nan 8.380 nan 0.000 0.496 333 V N 1.282 121.200 119.914 0.007 0.000 2.409 333 V HA 0.418 4.538 4.120 -0.001 0.000 0.291 333 V C -0.653 175.510 176.094 0.115 0.000 1.020 333 V CA -0.969 61.333 62.300 0.004 0.000 0.848 333 V CB 1.587 33.395 31.823 -0.025 0.000 0.990 333 V HN 0.193 nan 8.190 nan 0.000 0.430 334 L N 5.792 127.018 121.223 0.005 0.000 2.341 334 L HA 0.696 5.036 4.340 -0.001 0.000 0.278 334 L C -0.844 175.886 176.870 -0.232 0.000 1.005 334 L CA -0.457 54.317 54.840 -0.110 0.000 0.818 334 L CB 1.655 43.543 42.059 -0.285 0.000 1.259 334 L HN 0.635 nan 8.230 nan 0.000 0.418 335 L N 6.321 127.199 121.223 -0.575 0.000 2.275 335 L HA 0.559 4.898 4.340 -0.001 0.000 0.288 335 L C -1.004 175.583 176.870 -0.471 0.000 1.046 335 L CA 0.149 54.485 54.840 -0.839 0.000 0.805 335 L CB 0.792 41.876 42.059 -1.625 0.000 1.193 335 L HN 0.455 nan 8.230 nan 0.000 0.426 336 I N 7.294 127.673 120.570 -0.318 0.000 2.595 336 I HA 0.331 4.500 4.170 -0.001 0.000 0.275 336 I C -2.292 173.819 176.117 -0.010 0.000 1.092 336 I CA -1.985 59.223 61.300 -0.153 0.000 1.145 336 I CB 0.947 38.830 38.000 -0.195 0.000 1.276 336 I HN 0.426 nan 8.210 nan 0.000 0.497 337 P HA 0.133 nan 4.420 nan 0.000 0.269 337 P C -0.406 177.084 177.300 0.317 0.000 1.209 337 P CA -0.189 63.069 63.100 0.264 0.000 0.776 337 P CB 0.836 32.735 31.700 0.331 0.000 0.876 338 L N 2.949 124.390 121.223 0.363 0.000 2.454 338 L HA 0.754 5.093 4.340 -0.001 0.000 0.258 338 L C -0.122 176.778 176.870 0.049 0.000 1.025 338 L CA 0.383 55.343 54.840 0.199 0.000 0.901 338 L CB 0.466 42.576 42.059 0.085 0.000 1.210 338 L HN 0.609 nan 8.230 nan 0.000 0.457 339 G N 1.599 110.305 108.800 -0.157 0.000 2.342 339 G HA2 0.482 4.441 3.960 -0.001 0.000 0.297 339 G HA3 0.482 4.441 3.960 -0.001 0.000 0.297 339 G C -2.196 172.604 174.900 -0.167 0.000 1.313 339 G CA -0.234 44.546 45.100 -0.533 0.000 0.830 339 G HN 0.376 nan 8.290 nan 0.000 0.506 340 D N -1.734 118.650 120.400 -0.026 0.000 2.879 340 D HA 0.298 4.938 4.640 -0.001 0.000 0.346 340 D C -1.471 174.990 176.300 0.269 0.000 1.390 340 D CA -0.439 53.725 54.000 0.273 0.000 0.838 340 D CB 1.327 42.228 40.800 0.168 0.000 1.416 340 D HN 0.226 nan 8.370 nan 0.000 0.493 341 D N 0.421 121.039 120.400 0.363 0.000 2.450 341 D HA 0.195 4.835 4.640 -0.001 0.000 0.247 341 D C 0.223 176.699 176.300 0.292 0.000 1.162 341 D CA 0.536 54.730 54.000 0.324 0.000 0.879 341 D CB -0.318 40.783 40.800 0.501 0.000 1.163 341 D HN 0.356 nan 8.370 nan 0.000 0.472 342 F N 0.123 120.131 119.950 0.096 0.000 3.056 342 F HA -0.318 4.209 4.527 -0.001 0.000 0.266 342 F C 1.193 177.034 175.800 0.069 0.000 0.957 342 F CA 0.588 58.625 58.000 0.062 0.000 0.894 342 F CB -0.795 38.232 39.000 0.045 0.000 0.832 342 F HN 0.220 nan 8.300 nan 0.000 0.745 343 R N -0.402 120.187 120.500 0.148 0.000 2.652 343 R HA 0.419 4.758 4.340 -0.001 0.000 0.271 343 R C 0.739 177.061 176.300 0.038 0.000 1.129 343 R CA -0.669 55.402 56.100 -0.047 0.000 1.200 343 R CB -0.112 30.055 30.300 -0.221 0.000 1.146 343 R HN 0.246 nan 8.270 nan 0.000 0.581 344 F N -0.659 119.122 119.950 -0.283 0.000 3.040 344 F HA -0.290 4.236 4.527 -0.001 0.000 0.298 344 F C 1.387 177.109 175.800 -0.130 0.000 0.948 344 F CA 1.011 58.629 58.000 -0.637 0.000 1.022 344 F CB -0.867 37.471 39.000 -1.104 0.000 1.023 344 F HN 0.593 nan 8.300 nan 0.000 0.742 345 K N 0.144 120.588 120.400 0.072 0.000 2.063 345 K HA 0.057 4.377 4.320 -0.001 0.000 0.204 345 K C 0.706 177.460 176.600 0.257 0.000 1.039 345 K CA 0.804 57.222 56.287 0.217 0.000 0.957 345 K CB 0.197 32.795 32.500 0.162 0.000 0.764 345 K HN 0.426 nan 8.250 nan 0.000 0.447 346 Q N 0.607 120.523 119.800 0.193 0.000 2.259 346 Q HA 0.125 4.464 4.340 -0.001 0.000 0.249 346 Q C 0.240 176.426 176.000 0.311 0.000 0.914 346 Q CA -0.184 55.762 55.803 0.238 0.000 0.904 346 Q CB 1.291 30.190 28.738 0.268 0.000 1.213 346 Q HN 0.288 nan 8.270 nan 0.000 0.428 347 N N 0.103 118.980 118.700 0.295 0.000 2.149 347 N HA -0.205 4.535 4.740 -0.001 0.000 0.188 347 N C 1.484 177.142 175.510 0.247 0.000 1.019 347 N CA 1.667 54.908 53.050 0.319 0.000 0.857 347 N CB 0.025 38.733 38.487 0.368 0.000 0.997 347 N HN 0.684 nan 8.380 nan 0.000 0.426 348 T N -1.228 113.479 114.554 0.254 0.000 2.915 348 T HA -0.151 4.198 4.350 -0.001 0.000 0.269 348 T C 1.651 176.533 174.700 0.304 0.000 1.071 348 T CA 0.990 63.255 62.100 0.274 0.000 1.132 348 T CB -0.160 68.865 68.868 0.261 0.000 0.878 348 T HN 0.308 nan 8.240 nan 0.000 0.479 349 E N -0.151 120.176 120.200 0.212 0.000 2.046 349 E HA -0.106 4.243 4.350 -0.001 0.000 0.190 349 E C 1.841 178.341 176.600 -0.167 0.000 0.982 349 E CA 0.778 57.067 56.400 -0.185 0.000 0.800 349 E CB -0.283 29.139 29.700 -0.465 0.000 0.756 349 E HN 0.697 nan 8.360 nan 0.000 0.449 350 W N 1.840 123.038 121.300 -0.170 0.000 2.317 350 W HA -0.212 4.447 4.660 -0.001 0.000 0.318 350 W C 2.189 178.640 176.519 -0.113 0.000 1.227 350 W CA 1.380 58.604 57.345 -0.202 0.000 1.269 350 W CB -0.339 28.597 29.460 -0.874 0.000 1.155 350 W HN 0.193 nan 8.180 nan 0.000 0.484 351 D N -0.522 119.970 120.400 0.154 0.000 2.104 351 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 351 D C 2.250 178.625 176.300 0.124 0.000 0.994 351 D CA 1.570 55.678 54.000 0.179 0.000 0.830 351 D CB -0.975 39.938 40.800 0.190 0.000 0.959 351 D HN 0.036 nan 8.370 nan 0.000 0.452 352 V N 0.926 120.904 119.914 0.106 0.000 2.427 352 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 352 V C 2.254 178.375 176.094 0.046 0.000 1.051 352 V CA 1.504 63.849 62.300 0.074 0.000 1.048 352 V CB -0.051 31.862 31.823 0.150 0.000 0.666 352 V HN 0.151 nan 8.190 nan 0.000 0.456 353 Q N -0.387 119.477 119.800 0.107 0.000 2.049 353 Q HA -0.163 4.176 4.340 -0.001 0.000 0.198 353 Q C 2.334 178.532 176.000 0.329 0.000 0.971 353 Q CA 1.704 57.668 55.803 0.268 0.000 0.833 353 Q CB -0.421 28.447 28.738 0.217 0.000 0.896 353 Q HN 0.604 nan 8.270 nan 0.000 0.434 354 R N 0.491 121.140 120.500 0.248 0.000 2.073 354 R HA -0.096 4.244 4.340 -0.001 0.000 0.234 354 R C 2.243 178.705 176.300 0.270 0.000 1.134 354 R CA 1.294 57.578 56.100 0.306 0.000 0.952 354 R CB -0.067 30.365 30.300 0.221 0.000 0.850 354 R HN 0.049 nan 8.270 nan 0.000 0.433 355 V N 2.049 122.035 119.914 0.120 0.000 2.295 355 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 355 V C 2.035 178.059 176.094 -0.117 0.000 1.049 355 V CA 1.941 64.258 62.300 0.028 0.000 1.024 355 V CB -0.646 31.182 31.823 0.009 0.000 0.648 355 V HN 0.443 nan 8.190 nan 0.000 0.447 356 N N -0.709 117.806 118.700 -0.308 0.000 2.120 356 N HA -0.186 4.553 4.740 -0.001 0.000 0.188 356 N C 1.840 177.012 175.510 -0.563 0.000 1.024 356 N CA 1.731 54.380 53.050 -0.670 0.000 0.852 356 N CB -0.355 37.112 38.487 -1.699 0.000 1.003 356 N HN 0.541 nan 8.380 nan 0.000 0.424 357 Y N 1.851 121.950 120.300 -0.335 0.000 2.242 357 Y HA -0.071 4.478 4.550 -0.001 0.000 0.291 357 Y C 2.374 177.754 175.900 -0.866 0.000 1.137 357 Y CA 1.018 58.809 58.100 -0.516 0.000 1.181 357 Y CB -0.057 38.204 38.460 -0.331 0.000 0.989 357 Y HN 0.137 nan 8.280 nan 0.000 0.527 358 E N -0.245 119.795 120.200 -0.267 0.000 2.110 358 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 358 E C 2.206 178.742 176.600 -0.107 0.000 0.988 358 E CA 0.974 57.296 56.400 -0.131 0.000 0.804 358 E CB -0.128 29.631 29.700 0.099 0.000 0.745 358 E HN 0.465 nan 8.360 nan 0.000 0.458 359 R N 0.365 120.783 120.500 -0.135 0.000 2.096 359 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 359 R C 2.453 178.715 176.300 -0.064 0.000 1.127 359 R CA 0.890 56.942 56.100 -0.080 0.000 0.968 359 R CB -0.256 29.977 30.300 -0.110 0.000 0.861 359 R HN 0.169 nan 8.270 nan 0.000 0.440 360 L N -0.472 120.642 121.223 -0.182 0.000 2.027 360 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 360 L C 2.235 179.147 176.870 0.069 0.000 1.074 360 L CA 1.454 56.229 54.840 -0.109 0.000 0.745 360 L CB -0.447 41.462 42.059 -0.249 0.000 0.898 360 L HN 0.160 nan 8.230 nan 0.000 0.433 361 F N 0.110 120.075 119.950 0.025 0.000 2.126 361 F HA -0.270 4.257 4.527 -0.001 0.000 0.299 361 F C 2.723 178.530 175.800 0.013 0.000 1.096 361 F CA 1.120 59.122 58.000 0.005 0.000 1.255 361 F CB -0.215 38.744 39.000 -0.069 0.000 0.997 361 F HN 0.195 nan 8.300 nan 0.000 0.479 362 E N -0.013 120.317 120.200 0.217 0.000 2.077 362 E HA -0.312 4.038 4.350 -0.001 0.000 0.193 362 E C 1.961 178.645 176.600 0.140 0.000 0.989 362 E CA 1.609 58.096 56.400 0.145 0.000 0.800 362 E CB -0.189 29.577 29.700 0.111 0.000 0.746 362 E HN 0.505 nan 8.360 nan 0.000 0.452 363 H N 0.184 119.301 119.070 0.079 0.000 2.299 363 H HA -0.035 4.520 4.556 -0.001 0.000 0.302 363 H C 2.067 177.478 175.328 0.138 0.000 1.078 363 H CA 2.116 58.220 56.048 0.094 0.000 1.323 363 H CB -0.193 29.621 29.762 0.087 0.000 1.381 363 H HN 0.145 nan 8.280 nan 0.000 0.498 364 I N 0.632 121.295 120.570 0.155 0.000 2.163 364 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 364 I C 1.475 177.631 176.117 0.066 0.000 1.085 364 I CA 1.494 62.852 61.300 0.096 0.000 1.347 364 I CB -0.308 37.692 38.000 -0.000 0.000 1.044 364 I HN 0.384 nan 8.210 nan 0.000 0.408 365 N N 0.217 118.940 118.700 0.040 0.000 2.550 365 N HA -0.082 4.658 4.740 -0.001 0.000 0.186 365 N C 1.633 177.125 175.510 -0.030 0.000 1.110 365 N CA 1.235 54.278 53.050 -0.011 0.000 0.912 365 N CB -0.168 38.300 38.487 -0.033 0.000 0.968 365 N HN 0.414 nan 8.380 nan 0.000 0.448 366 S N -1.227 114.446 115.700 -0.046 0.000 2.539 366 S HA 0.172 4.641 4.470 -0.001 0.000 0.221 366 S C 0.455 174.986 174.600 -0.114 0.000 0.987 366 S CA -0.325 57.836 58.200 -0.066 0.000 0.929 366 S CB 0.357 63.529 63.200 -0.046 0.000 0.832 366 S HN -0.090 nan 8.310 nan 0.000 0.492 367 Q N 1.596 121.296 119.800 -0.168 0.000 2.503 367 Q HA 0.559 4.899 4.340 -0.001 0.000 0.227 367 Q C 1.027 176.849 176.000 -0.296 0.000 1.109 367 Q CA 0.069 55.702 55.803 -0.284 0.000 0.922 367 Q CB 0.924 29.343 28.738 -0.532 0.000 1.249 367 Q HN 0.447 nan 8.270 nan 0.000 0.530 368 A N 2.520 125.247 122.820 -0.155 0.000 1.997 368 A HA -0.279 4.040 4.320 -0.001 0.000 0.221 368 A C 1.597 179.111 177.584 -0.117 0.000 1.172 368 A CA 2.246 54.222 52.037 -0.102 0.000 0.645 368 A CB -0.747 18.225 19.000 -0.045 0.000 0.813 368 A HN 0.886 nan 8.150 nan 0.000 0.454 369 H N -3.394 115.593 119.070 -0.138 0.000 2.518 369 H HA 0.000 4.555 4.556 -0.001 0.000 0.289 369 H C 1.467 176.746 175.328 -0.082 0.000 1.051 369 H CA 1.506 57.468 56.048 -0.145 0.000 1.280 369 H CB -0.683 28.939 29.762 -0.233 0.000 1.380 369 H HN 0.529 nan 8.280 nan 0.000 0.566 370 F N 0.735 120.437 119.950 -0.413 0.000 2.416 370 F HA 0.030 4.557 4.527 -0.001 0.000 0.296 370 F C 0.640 176.397 175.800 -0.072 0.000 1.099 370 F CA 0.039 57.926 58.000 -0.188 0.000 1.427 370 F CB 0.096 38.953 39.000 -0.238 0.000 1.079 370 F HN 0.108 nan 8.300 nan 0.000 0.536 371 N N 1.072 119.827 118.700 0.093 0.000 2.725 371 N HA -0.166 4.574 4.740 -0.001 0.000 0.251 371 N C -1.124 174.375 175.510 -0.018 0.000 1.031 371 N CA 0.358 53.437 53.050 0.049 0.000 0.720 371 N CB -1.436 37.122 38.487 0.118 0.000 0.930 371 N HN 0.023 nan 8.380 nan 0.000 0.543 372 V N 0.686 120.582 119.914 -0.030 0.000 2.735 372 V HA 0.404 4.524 4.120 -0.001 0.000 0.310 372 V C 0.148 176.157 176.094 -0.142 0.000 1.061 372 V CA -0.647 61.580 62.300 -0.123 0.000 0.913 372 V CB 2.447 34.230 31.823 -0.067 0.000 1.005 372 V HN 0.187 nan 8.190 nan 0.000 0.428 373 Q N 3.185 122.839 119.800 -0.244 0.000 2.347 373 Q HA 0.742 5.081 4.340 -0.001 0.000 0.265 373 Q C -0.800 174.932 176.000 -0.446 0.000 1.024 373 Q CA -0.141 55.495 55.803 -0.279 0.000 0.731 373 Q CB 1.541 30.120 28.738 -0.265 0.000 1.245 373 Q HN 0.985 nan 8.270 nan 0.000 0.472 374 A N 4.192 126.733 122.820 -0.465 0.000 2.337 374 A HA 0.919 5.239 4.320 -0.001 0.000 0.329 374 A C -1.087 175.774 177.584 -1.205 0.000 1.146 374 A CA -0.468 51.115 52.037 -0.757 0.000 0.800 374 A CB 1.128 19.872 19.000 -0.427 0.000 1.220 374 A HN 0.765 nan 8.150 nan 0.000 0.472 375 Q N 1.214 120.215 119.800 -1.331 0.000 2.633 375 Q HA 0.406 4.746 4.340 -0.001 0.000 0.289 375 Q C -1.549 174.031 176.000 -0.700 0.000 0.940 375 Q CA -0.611 54.445 55.803 -1.245 0.000 0.785 375 Q CB 0.622 29.022 28.738 -0.564 0.000 1.467 375 Q HN 0.482 nan 8.270 nan 0.000 0.401 376 F N 0.294 120.181 119.950 -0.104 0.000 2.506 376 F HA 0.597 5.124 4.527 -0.001 0.000 0.351 376 F C 1.282 177.141 175.800 0.098 0.000 1.136 376 F CA 1.192 59.249 58.000 0.094 0.000 1.298 376 F CB 1.122 40.222 39.000 0.168 0.000 1.145 376 F HN 0.761 nan 8.300 nan 0.000 0.593 377 G N 0.458 109.444 108.800 0.310 0.000 2.687 377 G HA2 0.575 4.534 3.960 -0.001 0.000 0.291 377 G HA3 0.575 4.534 3.960 -0.001 0.000 0.291 377 G C -1.195 173.701 174.900 -0.008 0.000 1.420 377 G CA -0.718 44.490 45.100 0.180 0.000 0.796 377 G HN 0.657 nan 8.290 nan 0.000 0.485 378 T N -1.876 112.591 114.554 -0.145 0.000 2.937 378 T HA 0.478 4.828 4.350 -0.001 0.000 0.283 378 T C 1.276 175.822 174.700 -0.257 0.000 1.012 378 T CA -0.460 61.525 62.100 -0.191 0.000 0.997 378 T CB 1.521 70.289 68.868 -0.167 0.000 1.136 378 T HN 0.553 nan 8.240 nan 0.000 0.551 379 L N 0.480 121.553 121.223 -0.249 0.000 2.056 379 L HA 0.033 4.372 4.340 -0.001 0.000 0.207 379 L C 2.752 179.591 176.870 -0.052 0.000 1.078 379 L CA 1.945 56.670 54.840 -0.192 0.000 0.749 379 L CB -1.127 40.850 42.059 -0.136 0.000 0.901 379 L HN 0.884 nan 8.230 nan 0.000 0.433 380 Q N -0.087 119.702 119.800 -0.019 0.000 2.124 380 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 380 Q C 2.081 178.019 176.000 -0.103 0.000 0.977 380 Q CA 1.896 57.723 55.803 0.040 0.000 0.850 380 Q CB -0.168 28.561 28.738 -0.014 0.000 0.901 380 Q HN 0.623 nan 8.270 nan 0.000 0.429 381 E N -1.172 118.871 120.200 -0.262 0.000 2.085 381 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 381 E C 1.689 177.856 176.600 -0.723 0.000 0.994 381 E CA 1.238 57.350 56.400 -0.479 0.000 0.801 381 E CB -0.316 28.988 29.700 -0.660 0.000 0.743 381 E HN 0.478 nan 8.360 nan 0.000 0.453 382 Y N 0.552 120.324 120.300 -0.880 0.000 2.070 382 Y HA -0.274 4.275 4.550 -0.001 0.000 0.280 382 Y C 1.877 177.495 175.900 -0.471 0.000 1.148 382 Y CA 1.769 59.395 58.100 -0.791 0.000 1.125 382 Y CB -0.685 37.333 38.460 -0.738 0.000 0.975 382 Y HN -0.020 nan 8.280 nan 0.000 0.492 383 F N 0.528 120.213 119.950 -0.442 0.000 2.171 383 F HA -0.234 4.292 4.527 -0.001 0.000 0.300 383 F C 2.233 177.800 175.800 -0.388 0.000 1.090 383 F CA 1.312 59.027 58.000 -0.476 0.000 1.293 383 F CB -0.352 38.573 39.000 -0.123 0.000 1.013 383 F HN 0.091 nan 8.300 nan 0.000 0.486 384 D N 0.284 120.639 120.400 -0.075 0.000 2.123 384 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 384 D C 2.266 178.491 176.300 -0.125 0.000 0.992 384 D CA 1.430 55.390 54.000 -0.066 0.000 0.833 384 D CB -0.487 40.261 40.800 -0.088 0.000 0.954 384 D HN 0.254 nan 8.370 nan 0.000 0.455 385 A N 0.278 122.966 122.820 -0.219 0.000 1.929 385 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 385 A C 2.495 179.958 177.584 -0.202 0.000 1.176 385 A CA 0.802 52.753 52.037 -0.143 0.000 0.628 385 A CB -0.567 18.435 19.000 0.003 0.000 0.816 385 A HN 0.132 nan 8.150 nan 0.000 0.444 386 V N -0.108 119.550 119.914 -0.426 0.000 2.295 386 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 386 V C 2.407 178.301 176.094 -0.333 0.000 1.049 386 V CA 2.104 64.140 62.300 -0.440 0.000 1.024 386 V CB -0.982 30.391 31.823 -0.751 0.000 0.648 386 V HN 0.649 nan 8.190 nan 0.000 0.447 387 H N -0.343 118.608 119.070 -0.198 0.000 2.462 387 H HA -0.070 4.485 4.556 -0.001 0.000 0.292 387 H C 2.403 177.695 175.328 -0.060 0.000 1.049 387 H CA 1.273 57.238 56.048 -0.139 0.000 1.334 387 H CB -0.036 29.606 29.762 -0.200 0.000 1.404 387 H HN 0.556 nan 8.280 nan 0.000 0.544 388 Q N 0.231 120.044 119.800 0.022 0.000 2.084 388 Q HA -0.058 4.281 4.340 -0.001 0.000 0.202 388 Q C 2.543 178.558 176.000 0.026 0.000 0.978 388 Q CA 1.261 57.075 55.803 0.019 0.000 0.844 388 Q CB 0.024 28.762 28.738 0.001 0.000 0.898 388 Q HN 0.400 nan 8.270 nan 0.000 0.426 389 A N 1.016 123.846 122.820 0.016 0.000 1.898 389 A HA -0.252 4.068 4.320 -0.001 0.000 0.216 389 A C 1.930 179.542 177.584 0.046 0.000 1.181 389 A CA 1.573 53.633 52.037 0.038 0.000 0.620 389 A CB -0.509 18.517 19.000 0.043 0.000 0.819 389 A HN 0.434 nan 8.150 nan 0.000 0.442 390 E N -0.232 120.010 120.200 0.071 0.000 2.051 390 E HA -0.207 4.143 4.350 -0.001 0.000 0.192 390 E C 2.223 178.863 176.600 0.066 0.000 0.991 390 E CA 1.043 57.496 56.400 0.089 0.000 0.799 390 E CB -0.142 29.718 29.700 0.266 0.000 0.748 390 E HN 0.556 nan 8.360 nan 0.000 0.449 391 R N -0.327 120.216 120.500 0.071 0.000 2.152 391 R HA -0.047 4.293 4.340 -0.001 0.000 0.232 391 R C 1.930 178.248 176.300 0.031 0.000 1.117 391 R CA 0.828 56.956 56.100 0.046 0.000 0.981 391 R CB -0.084 30.239 30.300 0.037 0.000 0.870 391 R HN 0.120 nan 8.270 nan 0.000 0.451 392 A N 0.072 122.911 122.820 0.031 0.000 2.259 392 A HA 0.220 4.540 4.320 -0.001 0.000 0.208 392 A C 1.256 178.852 177.584 0.019 0.000 1.201 392 A CA 0.649 52.702 52.037 0.026 0.000 0.824 392 A CB -0.078 18.942 19.000 0.034 0.000 0.838 392 A HN 0.418 nan 8.150 nan 0.000 0.485 393 G N -0.650 108.158 108.800 0.013 0.000 2.143 393 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.248 393 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.248 393 G C 0.758 175.652 174.900 -0.010 0.000 0.991 393 G CA 0.647 45.747 45.100 -0.001 0.000 0.689 393 G HN 0.679 nan 8.290 nan 0.000 0.522 394 Q N -0.409 119.391 119.800 0.000 0.000 2.424 394 Q HA 0.559 4.899 4.340 -0.001 0.000 0.204 394 Q C 0.889 176.868 176.000 -0.035 0.000 0.933 394 Q CA 1.382 57.190 55.803 0.008 0.000 0.929 394 Q CB 0.051 28.829 28.738 0.066 0.000 1.037 394 Q HN 1.500 nan 8.270 nan 0.000 0.511 395 A N 0.354 123.105 122.820 -0.115 0.000 2.599 395 A HA 0.539 4.859 4.320 -0.001 0.000 0.294 395 A C -1.670 175.672 177.584 -0.404 0.000 1.055 395 A CA -0.837 51.040 52.037 -0.266 0.000 0.683 395 A CB 1.286 20.074 19.000 -0.355 0.000 1.278 395 A HN 0.268 nan 8.150 nan 0.000 0.412 396 E N 0.222 120.157 120.200 -0.441 0.000 2.266 396 E HA 0.637 4.987 4.350 -0.001 0.000 0.268 396 E C -1.689 174.665 176.600 -0.411 0.000 0.879 396 E CA -0.401 55.809 56.400 -0.316 0.000 0.762 396 E CB 2.264 31.906 29.700 -0.096 0.000 1.199 396 E HN 0.455 nan 8.360 nan 0.000 0.422 397 F N 2.091 122.151 119.950 0.182 0.000 2.492 397 F HA 0.393 4.920 4.527 -0.000 0.000 0.327 397 F C -1.754 174.151 175.800 0.174 0.000 1.079 397 F CA -2.048 56.083 58.000 0.219 0.000 0.967 397 F CB 1.087 40.296 39.000 0.349 0.000 1.169 397 F HN 0.240 nan 8.300 nan 0.000 0.472 398 P HA 0.155 nan 4.420 nan 0.000 0.274 398 P C -0.718 176.727 177.300 0.241 0.000 1.237 398 P CA -0.357 62.877 63.100 0.223 0.000 0.793 398 P CB 1.080 32.882 31.700 0.170 0.000 0.977 399 T N -0.486 114.161 114.554 0.154 0.000 2.902 399 T HA 0.686 5.036 4.350 -0.001 0.000 0.283 399 T C -0.304 174.429 174.700 0.055 0.000 1.009 399 T CA -0.811 61.373 62.100 0.140 0.000 1.051 399 T CB 1.122 70.050 68.868 0.100 0.000 0.999 399 T HN 0.476 nan 8.240 nan 0.000 0.474 400 L N 1.765 123.018 121.223 0.050 0.000 2.472 400 L HA 0.734 5.073 4.340 -0.001 0.000 0.260 400 L C -0.806 176.057 176.870 -0.013 0.000 0.963 400 L CA -0.434 54.327 54.840 -0.131 0.000 0.829 400 L CB 2.202 43.929 42.059 -0.554 0.000 1.348 400 L HN 1.111 nan 8.230 nan 0.000 0.408 401 S N 2.385 118.037 115.700 -0.080 0.000 2.595 401 S HA 1.058 5.527 4.470 -0.001 0.000 0.281 401 S C -0.374 174.170 174.600 -0.094 0.000 1.117 401 S CA -0.019 58.197 58.200 0.027 0.000 0.873 401 S CB 2.055 65.226 63.200 -0.049 0.000 1.108 401 S HN 1.694 nan 8.310 nan 0.000 0.477 402 G N 1.129 109.928 108.800 -0.003 0.000 2.331 402 G HA2 0.331 4.291 3.960 -0.001 0.000 0.402 402 G HA3 0.331 4.291 3.960 -0.001 0.000 0.402 402 G C -1.817 172.992 174.900 -0.151 0.000 1.275 402 G CA -0.021 44.973 45.100 -0.176 0.000 1.003 402 G HN 1.263 nan 8.290 nan 0.000 0.500 403 D N -1.677 118.492 120.400 -0.384 0.000 2.687 403 D HA 0.746 5.386 4.640 -0.001 0.000 0.264 403 D C -0.616 175.157 176.300 -0.878 0.000 1.091 403 D CA -1.077 52.707 54.000 -0.359 0.000 1.123 403 D CB 1.075 41.845 40.800 -0.050 0.000 1.407 403 D HN 0.419 nan 8.370 nan 0.000 0.591 404 F N -0.480 119.353 119.950 -0.196 0.000 2.679 404 F HA 0.416 4.942 4.527 -0.001 0.000 0.354 404 F C -0.814 174.822 175.800 -0.273 0.000 1.423 404 F CA -0.652 57.232 58.000 -0.193 0.000 1.141 404 F CB 0.296 39.215 39.000 -0.134 0.000 1.168 404 F HN -0.001 nan 8.300 nan 0.000 0.530 405 F N -0.619 119.510 119.950 0.299 0.000 2.546 405 F HA 0.528 5.054 4.527 -0.001 0.000 0.320 405 F C 0.484 176.553 175.800 0.448 0.000 1.076 405 F CA -1.118 57.133 58.000 0.419 0.000 0.928 405 F CB 2.037 41.269 39.000 0.386 0.000 1.189 405 F HN -0.263 nan 8.300 nan 0.000 0.465 406 T N 1.750 116.696 114.554 0.653 0.000 2.799 406 T HA 0.157 4.507 4.350 -0.001 0.000 0.286 406 T C -0.996 174.178 174.700 0.790 0.000 0.973 406 T CA -0.278 62.272 62.100 0.750 0.000 1.035 406 T CB 0.370 69.537 68.868 0.497 0.000 0.932 406 T HN 0.373 nan 8.240 nan 0.000 0.469 407 Y N 2.895 123.531 120.300 0.559 0.000 2.411 407 Y HA 0.449 4.998 4.550 -0.001 0.000 0.333 407 Y C -0.210 175.727 175.900 0.063 0.000 1.186 407 Y CA -1.017 57.241 58.100 0.264 0.000 1.381 407 Y CB 0.229 38.736 38.460 0.079 0.000 1.273 407 Y HN 0.678 nan 8.280 nan 0.000 0.546 408 A N 5.118 127.419 122.820 -0.864 0.000 2.381 408 A HA 0.344 4.664 4.320 -0.001 0.000 0.299 408 A C -0.144 176.774 177.584 -1.110 0.000 1.049 408 A CA -0.288 51.117 52.037 -1.054 0.000 0.715 408 A CB 0.670 18.782 19.000 -1.479 0.000 1.222 408 A HN 0.817 nan 8.150 nan 0.000 0.428 409 D N 1.676 121.572 120.400 -0.840 0.000 2.305 409 D HA 0.041 4.680 4.640 -0.001 0.000 0.206 409 D C 0.555 176.879 176.300 0.040 0.000 0.974 409 D CA 0.629 54.420 54.000 -0.348 0.000 0.871 409 D CB 0.148 40.883 40.800 -0.108 0.000 0.947 409 D HN 0.734 nan 8.370 nan 0.000 0.516 410 R N -1.173 119.297 120.500 -0.049 0.000 2.687 410 R HA 0.353 4.692 4.340 -0.001 0.000 0.265 410 R C 0.182 176.397 176.300 -0.142 0.000 1.048 410 R CA -0.075 55.861 56.100 -0.274 0.000 0.884 410 R CB 0.745 30.948 30.300 -0.162 0.000 1.258 410 R HN -0.018 nan 8.270 nan 0.000 0.469 411 S N 1.143 116.699 115.700 -0.239 0.000 4.106 411 S HA -0.377 4.092 4.470 -0.001 0.000 0.541 411 S C 0.649 175.357 174.600 0.181 0.000 1.846 411 S CA 1.676 59.888 58.200 0.021 0.000 4.137 411 S CB -1.618 61.578 63.200 -0.007 0.000 0.892 411 S HN 1.059 nan 8.310 nan 0.000 0.535 412 D N 1.707 122.198 120.400 0.152 0.000 2.427 412 D HA 0.192 4.831 4.640 -0.001 0.000 0.224 412 D C -0.228 176.205 176.300 0.223 0.000 1.157 412 D CA -0.318 53.849 54.000 0.277 0.000 0.828 412 D CB -1.542 39.390 40.800 0.219 0.000 0.974 412 D HN 0.633 nan 8.370 nan 0.000 0.498 413 N N 0.931 119.659 118.700 0.047 0.000 2.807 413 N HA 0.061 4.800 4.740 -0.001 0.000 0.259 413 N C -0.969 174.570 175.510 0.049 0.000 1.149 413 N CA -0.324 52.755 53.050 0.049 0.000 1.042 413 N CB 0.201 38.703 38.487 0.025 0.000 1.367 413 N HN 0.122 nan 8.380 nan 0.000 0.516 414 Y N 0.259 120.657 120.300 0.163 0.000 2.308 414 Y HA 0.136 4.685 4.550 -0.001 0.000 0.329 414 Y C 0.068 176.177 175.900 0.349 0.000 1.111 414 Y CA -0.667 57.589 58.100 0.260 0.000 1.179 414 Y CB 0.617 39.178 38.460 0.168 0.000 1.201 414 Y HN 0.402 nan 8.280 nan 0.000 0.483 415 W N 2.360 123.788 121.300 0.213 0.000 1.809 415 W HA 0.232 4.892 4.660 -0.001 0.000 0.399 415 W C 0.780 177.334 176.519 0.057 0.000 0.636 415 W CA -0.594 56.911 57.345 0.267 0.000 2.178 415 W CB -0.512 29.227 29.460 0.466 0.000 1.632 415 W HN 0.540 nan 8.180 nan 0.000 0.470 416 S N -2.086 113.640 115.700 0.043 0.000 2.556 416 S HA 0.128 4.598 4.470 -0.001 0.000 0.216 416 S C 1.953 176.274 174.600 -0.466 0.000 0.970 416 S CA 0.312 58.161 58.200 -0.585 0.000 0.912 416 S CB 0.208 63.389 63.200 -0.030 0.000 0.790 416 S HN 0.347 nan 8.310 nan 0.000 0.504 417 G N 1.987 110.718 108.800 -0.115 0.000 2.408 417 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 417 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 417 G C 1.239 176.121 174.900 -0.030 0.000 1.150 417 G CA 0.855 45.901 45.100 -0.090 0.000 0.776 417 G HN 0.791 nan 8.290 nan 0.000 0.542 418 Y N -0.880 119.396 120.300 -0.040 0.000 2.616 418 Y HA 0.176 4.725 4.550 -0.001 0.000 0.296 418 Y C 1.917 177.955 175.900 0.229 0.000 1.154 418 Y CA -0.033 58.125 58.100 0.096 0.000 1.325 418 Y CB -0.509 38.092 38.460 0.235 0.000 1.007 418 Y HN 0.336 nan 8.280 nan 0.000 0.542 419 Y N 0.207 120.296 120.300 -0.352 0.000 2.574 419 Y HA -0.086 4.464 4.550 -0.001 0.000 0.294 419 Y C 1.409 177.262 175.900 -0.078 0.000 1.142 419 Y CA 0.574 58.495 58.100 -0.299 0.000 1.314 419 Y CB 0.198 38.524 38.460 -0.223 0.000 0.991 419 Y HN 0.264 nan 8.280 nan 0.000 0.555 420 T N -2.300 112.329 114.554 0.125 0.000 2.980 420 T HA 0.039 4.388 4.350 -0.001 0.000 0.252 420 T C 0.617 175.408 174.700 0.151 0.000 0.962 420 T CA -0.169 62.002 62.100 0.119 0.000 0.932 420 T CB 0.129 69.037 68.868 0.066 0.000 1.188 420 T HN -0.091 nan 8.240 nan 0.000 0.500 421 S N 2.561 118.348 115.700 0.145 0.000 2.573 421 S HA 0.162 4.632 4.470 -0.001 0.000 0.297 421 S C 0.399 175.137 174.600 0.230 0.000 1.280 421 S CA 0.043 58.340 58.200 0.161 0.000 1.061 421 S CB 0.055 63.334 63.200 0.132 0.000 0.812 421 S HN 0.407 nan 8.310 nan 0.000 0.500 422 R N 1.123 121.776 120.500 0.256 0.000 3.146 422 R HA -0.125 4.215 4.340 -0.001 0.000 0.250 422 R C -1.889 174.663 176.300 0.420 0.000 0.912 422 R CA 0.687 57.016 56.100 0.382 0.000 0.633 422 R CB -1.761 28.798 30.300 0.432 0.000 1.180 422 R HN 0.516 nan 8.270 nan 0.000 0.464 423 P HA -0.240 nan 4.420 nan 0.000 0.220 423 P C 1.120 178.629 177.300 0.348 0.000 1.148 423 P CA 1.076 64.394 63.100 0.362 0.000 0.803 423 P CB -0.026 31.931 31.700 0.429 0.000 0.782 424 Y N 1.521 121.910 120.300 0.148 0.000 2.128 424 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 424 Y C 2.315 178.180 175.900 -0.057 0.000 1.154 424 Y CA 2.074 60.180 58.100 0.010 0.000 1.149 424 Y CB -1.001 37.337 38.460 -0.204 0.000 0.976 424 Y HN 0.064 nan 8.280 nan 0.000 0.505 425 H N -0.854 118.450 119.070 0.390 0.000 2.470 425 H HA 0.022 4.578 4.556 -0.001 0.000 0.289 425 H C 2.015 177.470 175.328 0.211 0.000 1.033 425 H CA 1.226 57.406 56.048 0.219 0.000 1.331 425 H CB -0.076 29.881 29.762 0.326 0.000 1.414 425 H HN 0.261 nan 8.280 nan 0.000 0.545 426 K N 0.336 120.934 120.400 0.330 0.000 2.057 426 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 426 K C 2.239 178.883 176.600 0.073 0.000 1.050 426 K CA 1.069 57.502 56.287 0.242 0.000 0.935 426 K CB 0.102 32.724 32.500 0.205 0.000 0.715 426 K HN 0.030 nan 8.250 nan 0.000 0.439 427 R N 1.523 122.032 120.500 0.015 0.000 2.075 427 R HA -0.009 4.331 4.340 -0.001 0.000 0.232 427 R C 2.043 178.073 176.300 -0.450 0.000 1.126 427 R CA 1.476 57.515 56.100 -0.101 0.000 0.963 427 R CB -0.496 29.843 30.300 0.066 0.000 0.858 427 R HN 0.153 nan 8.270 nan 0.000 0.435 428 M N 0.335 119.510 119.600 -0.709 0.000 2.149 428 M HA -0.201 4.278 4.480 -0.001 0.000 0.261 428 M C 1.414 177.338 176.300 -0.627 0.000 1.064 428 M CA 2.421 57.034 55.300 -1.145 0.000 1.102 428 M CB -0.328 31.758 32.600 -0.856 0.000 1.369 428 M HN 0.294 nan 8.290 nan 0.000 0.408 429 D N -0.201 120.040 120.400 -0.265 0.000 2.133 429 D HA -0.216 4.423 4.640 -0.001 0.000 0.195 429 D C 1.885 178.097 176.300 -0.147 0.000 0.997 429 D CA 1.461 55.418 54.000 -0.073 0.000 0.840 429 D CB 0.113 41.029 40.800 0.193 0.000 0.947 429 D HN 0.252 nan 8.370 nan 0.000 0.452 430 R N 0.069 120.466 120.500 -0.171 0.000 2.115 430 R HA -0.016 4.323 4.340 -0.001 0.000 0.230 430 R C 2.430 178.621 176.300 -0.182 0.000 1.111 430 R CA 0.474 56.483 56.100 -0.151 0.000 0.976 430 R CB -0.941 29.291 30.300 -0.114 0.000 0.870 430 R HN 0.267 nan 8.270 nan 0.000 0.445 431 V N 1.521 121.232 119.914 -0.339 0.000 2.307 431 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 431 V C 2.355 178.297 176.094 -0.253 0.000 1.045 431 V CA 1.448 63.549 62.300 -0.331 0.000 1.024 431 V CB -0.554 30.791 31.823 -0.797 0.000 0.651 431 V HN 0.132 nan 8.190 nan 0.000 0.449 432 L N -0.350 120.636 121.223 -0.395 0.000 2.093 432 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 432 L C 2.304 179.104 176.870 -0.118 0.000 1.085 432 L CA 1.974 56.641 54.840 -0.289 0.000 0.755 432 L CB -0.660 41.218 42.059 -0.301 0.000 0.904 432 L HN 0.334 nan 8.230 nan 0.000 0.435 433 M N -1.226 118.304 119.600 -0.117 0.000 2.089 433 M HA -0.339 4.141 4.480 -0.001 0.000 0.257 433 M C 2.376 178.637 176.300 -0.065 0.000 1.071 433 M CA 2.451 57.686 55.300 -0.107 0.000 1.096 433 M CB -0.429 32.078 32.600 -0.154 0.000 1.330 433 M HN 0.560 nan 8.290 nan 0.000 0.403 434 H N -0.727 118.303 119.070 -0.066 0.000 2.357 434 H HA -0.159 4.397 4.556 -0.001 0.000 0.301 434 H C 1.452 176.825 175.328 0.075 0.000 1.082 434 H CA 2.349 58.390 56.048 -0.012 0.000 1.342 434 H CB -0.389 29.376 29.762 0.006 0.000 1.389 434 H HN 0.493 nan 8.280 nan 0.000 0.511 435 Y N -0.537 119.606 120.300 -0.261 0.000 2.242 435 Y HA -0.132 4.417 4.550 -0.001 0.000 0.291 435 Y C 2.717 178.488 175.900 -0.215 0.000 1.137 435 Y CA 1.184 59.134 58.100 -0.250 0.000 1.181 435 Y CB -0.452 37.928 38.460 -0.133 0.000 0.989 435 Y HN 0.116 nan 8.280 nan 0.000 0.527 436 V N 0.162 120.066 119.914 -0.017 0.000 2.307 436 V HA -0.287 3.832 4.120 -0.001 0.000 0.245 436 V C 2.517 178.550 176.094 -0.102 0.000 1.045 436 V CA 2.133 64.394 62.300 -0.065 0.000 1.024 436 V CB -0.565 31.210 31.823 -0.081 0.000 0.651 436 V HN 0.312 nan 8.190 nan 0.000 0.449 437 R N 0.551 120.971 120.500 -0.133 0.000 2.073 437 R HA -0.172 4.167 4.340 -0.001 0.000 0.234 437 R C 2.231 178.468 176.300 -0.106 0.000 1.134 437 R CA 1.892 57.922 56.100 -0.117 0.000 0.952 437 R CB -0.484 29.750 30.300 -0.109 0.000 0.850 437 R HN 0.450 nan 8.270 nan 0.000 0.433 438 A N 0.758 123.455 122.820 -0.205 0.000 1.898 438 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 438 A C 2.389 179.922 177.584 -0.086 0.000 1.181 438 A CA 1.541 53.519 52.037 -0.097 0.000 0.620 438 A CB -0.722 18.147 19.000 -0.218 0.000 0.819 438 A HN 0.576 nan 8.150 nan 0.000 0.442 439 A N -0.104 122.655 122.820 -0.102 0.000 1.877 439 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 439 A C 1.942 179.472 177.584 -0.091 0.000 1.186 439 A CA 1.588 53.575 52.037 -0.083 0.000 0.620 439 A CB -0.533 18.429 19.000 -0.063 0.000 0.822 439 A HN 0.615 nan 8.150 nan 0.000 0.443 440 E N -1.016 119.129 120.200 -0.091 0.000 2.110 440 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 440 E C 2.057 178.589 176.600 -0.112 0.000 0.988 440 E CA 1.361 57.699 56.400 -0.104 0.000 0.804 440 E CB -0.249 29.391 29.700 -0.099 0.000 0.745 440 E HN 0.761 nan 8.360 nan 0.000 0.458 441 M N 0.676 120.233 119.600 -0.072 0.000 2.123 441 M HA -0.128 4.351 4.480 -0.001 0.000 0.263 441 M C 2.132 178.430 176.300 -0.004 0.000 1.069 441 M CA 1.295 56.557 55.300 -0.064 0.000 1.133 441 M CB 0.065 32.721 32.600 0.094 0.000 1.356 441 M HN 0.066 nan 8.290 nan 0.000 0.415 442 L N 0.139 121.399 121.223 0.061 0.000 2.083 442 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 442 L C 2.619 179.631 176.870 0.236 0.000 1.083 442 L CA 1.663 56.595 54.840 0.154 0.000 0.752 442 L CB -0.526 41.468 42.059 -0.109 0.000 0.899 442 L HN 0.520 nan 8.230 nan 0.000 0.433 443 S N -0.987 114.769 115.700 0.094 0.000 2.527 443 S HA 0.070 4.539 4.470 -0.001 0.000 0.222 443 S C 1.985 176.739 174.600 0.258 0.000 0.985 443 S CA 0.380 58.695 58.200 0.193 0.000 0.921 443 S CB 0.028 63.140 63.200 -0.146 0.000 0.772 443 S HN 0.291 nan 8.310 nan 0.000 0.529 444 A N 0.964 123.770 122.820 -0.023 0.000 2.015 444 A HA 0.078 4.397 4.320 -0.001 0.000 0.219 444 A C 1.704 179.172 177.584 -0.193 0.000 1.163 444 A CA 0.821 52.745 52.037 -0.188 0.000 0.646 444 A CB -1.195 17.536 19.000 -0.448 0.000 0.806 444 A HN 0.761 nan 8.150 nan 0.000 0.448 445 W N -0.700 120.607 121.300 0.011 0.000 2.392 445 W HA -0.025 4.635 4.660 -0.001 0.000 0.279 445 W C 0.891 177.206 176.519 -0.340 0.000 1.225 445 W CA 1.049 58.307 57.345 -0.146 0.000 1.233 445 W CB -0.153 29.181 29.460 -0.211 0.000 1.122 445 W HN 0.398 nan 8.180 nan 0.000 0.561 446 H N -2.477 116.648 119.070 0.092 0.000 2.834 446 H HA 0.365 4.920 4.556 -0.001 0.000 0.369 446 H C -0.501 174.733 175.328 -0.156 0.000 1.174 446 H CA -0.930 55.016 56.048 -0.170 0.000 1.165 446 H CB 1.798 31.211 29.762 -0.581 0.000 1.820 446 H HN -0.447 nan 8.280 nan 0.000 0.558 447 S N 0.934 116.595 115.700 -0.066 0.000 2.525 447 S HA 0.298 4.768 4.470 -0.001 0.000 0.278 447 S C -1.330 173.184 174.600 -0.144 0.000 1.234 447 S CA -0.651 57.541 58.200 -0.014 0.000 1.058 447 S CB 0.189 63.380 63.200 -0.016 0.000 0.983 447 S HN 0.374 nan 8.310 nan 0.000 0.495 448 W N 2.186 123.478 121.300 -0.013 0.000 2.666 448 W HA 0.368 5.027 4.660 -0.001 0.000 0.334 448 W C -0.008 176.465 176.519 -0.076 0.000 1.051 448 W CA -0.901 56.410 57.345 -0.056 0.000 1.224 448 W CB 0.576 29.965 29.460 -0.118 0.000 1.405 448 W HN 0.631 nan 8.180 nan 0.000 0.513 449 D N 0.573 121.049 120.400 0.126 0.000 2.423 449 D HA 0.176 4.816 4.640 -0.001 0.000 0.238 449 D C 1.644 177.951 176.300 0.011 0.000 1.142 449 D CA 0.975 55.018 54.000 0.072 0.000 0.884 449 D CB 1.206 42.080 40.800 0.123 0.000 1.199 449 D HN 0.559 nan 8.370 nan 0.000 0.438 450 G N 2.698 111.513 108.800 0.025 0.000 2.462 450 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 450 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 450 G C 1.369 176.254 174.900 -0.025 0.000 1.121 450 G CA 0.414 45.515 45.100 0.002 0.000 0.758 450 G HN 0.567 nan 8.290 nan 0.000 0.559 451 M N 0.606 120.206 119.600 0.000 0.000 2.358 451 M HA 0.016 4.496 4.480 -0.001 0.000 0.264 451 M C 2.798 179.036 176.300 -0.103 0.000 1.064 451 M CA 1.025 56.354 55.300 0.049 0.000 1.093 451 M CB -0.017 32.727 32.600 0.241 0.000 1.401 451 M HN 0.335 nan 8.290 nan 0.000 0.440 452 A N -0.039 122.465 122.820 -0.526 0.000 2.168 452 A HA -0.051 4.268 4.320 -0.001 0.000 0.215 452 A C 1.117 178.503 177.584 -0.330 0.000 1.152 452 A CA 0.459 51.968 52.037 -0.879 0.000 0.716 452 A CB -0.366 17.998 19.000 -1.060 0.000 0.794 452 A HN 0.576 nan 8.150 nan 0.000 0.465 453 R N -1.625 118.758 120.500 -0.194 0.000 3.627 453 R HA -0.191 4.148 4.340 -0.001 0.000 0.281 453 R C 0.666 176.864 176.300 -0.171 0.000 1.140 453 R CA 0.705 56.731 56.100 -0.123 0.000 0.761 453 R CB -2.033 28.230 30.300 -0.062 0.000 1.181 453 R HN 0.471 nan 8.270 nan 0.000 0.472 454 I N 0.570 120.984 120.570 -0.260 0.000 2.163 454 I HA -0.196 3.974 4.170 -0.001 0.000 0.240 454 I C 2.189 178.182 176.117 -0.208 0.000 1.081 454 I CA 1.691 62.787 61.300 -0.341 0.000 1.353 454 I CB -0.756 36.890 38.000 -0.589 0.000 1.054 454 I HN 0.206 nan 8.210 nan 0.000 0.407 455 E N 0.736 120.851 120.200 -0.142 0.000 2.085 455 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 455 E C 2.134 178.687 176.600 -0.078 0.000 0.994 455 E CA 1.420 57.766 56.400 -0.090 0.000 0.801 455 E CB -0.264 29.407 29.700 -0.048 0.000 0.743 455 E HN 0.457 nan 8.360 nan 0.000 0.453 456 E N 0.315 120.473 120.200 -0.070 0.000 2.058 456 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 456 E C 2.007 178.569 176.600 -0.063 0.000 0.997 456 E CA 1.118 57.487 56.400 -0.052 0.000 0.801 456 E CB 0.090 29.766 29.700 -0.041 0.000 0.746 456 E HN -0.022 nan 8.360 nan 0.000 0.450 457 R N 0.274 120.725 120.500 -0.081 0.000 2.092 457 R HA -0.017 4.322 4.340 -0.001 0.000 0.231 457 R C 2.393 178.642 176.300 -0.084 0.000 1.119 457 R CA 0.874 56.928 56.100 -0.077 0.000 0.970 457 R CB -0.474 29.774 30.300 -0.087 0.000 0.864 457 R HN 0.269 nan 8.270 nan 0.000 0.440 458 L N -0.122 121.039 121.223 -0.103 0.000 2.093 458 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 458 L C 2.365 179.174 176.870 -0.101 0.000 1.085 458 L CA 1.445 56.223 54.840 -0.103 0.000 0.755 458 L CB -0.426 41.564 42.059 -0.114 0.000 0.904 458 L HN 0.303 nan 8.230 nan 0.000 0.435 459 E N 0.246 120.391 120.200 -0.093 0.000 2.051 459 E HA -0.307 4.042 4.350 -0.001 0.000 0.192 459 E C 2.219 178.748 176.600 -0.118 0.000 0.991 459 E CA 1.387 57.725 56.400 -0.103 0.000 0.799 459 E CB -0.019 29.643 29.700 -0.065 0.000 0.748 459 E HN 0.420 nan 8.360 nan 0.000 0.449 460 Q N -0.050 119.700 119.800 -0.084 0.000 2.061 460 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 460 Q C 2.083 178.032 176.000 -0.086 0.000 0.984 460 Q CA 1.660 57.420 55.803 -0.072 0.000 0.846 460 Q CB -0.234 28.476 28.738 -0.046 0.000 0.902 460 Q HN 0.364 nan 8.270 nan 0.000 0.421 461 A N 1.000 123.769 122.820 -0.085 0.000 1.902 461 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 461 A C 2.085 179.603 177.584 -0.110 0.000 1.181 461 A CA 1.423 53.410 52.037 -0.084 0.000 0.623 461 A CB -0.492 18.465 19.000 -0.071 0.000 0.818 461 A HN 0.361 nan 8.150 nan 0.000 0.443 462 R N -0.748 119.668 120.500 -0.141 0.000 2.081 462 R HA -0.091 4.249 4.340 -0.001 0.000 0.235 462 R C 2.439 178.585 176.300 -0.258 0.000 1.131 462 R CA 1.587 57.578 56.100 -0.181 0.000 0.960 462 R CB -0.276 29.906 30.300 -0.197 0.000 0.856 462 R HN 0.500 nan 8.270 nan 0.000 0.436 463 R N 0.307 120.620 120.500 -0.312 0.000 2.092 463 R HA -0.071 4.269 4.340 -0.001 0.000 0.231 463 R C 2.061 178.290 176.300 -0.118 0.000 1.119 463 R CA 0.943 56.797 56.100 -0.410 0.000 0.970 463 R CB -0.004 30.080 30.300 -0.359 0.000 0.864 463 R HN 0.207 nan 8.270 nan 0.000 0.440 464 E N 0.786 120.949 120.200 -0.060 0.000 2.107 464 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 464 E C 1.979 178.603 176.600 0.041 0.000 0.982 464 E CA 0.706 57.115 56.400 0.015 0.000 0.809 464 E CB -0.175 29.524 29.700 -0.002 0.000 0.756 464 E HN 0.157 nan 8.360 nan 0.000 0.459 465 L N 1.221 122.436 121.223 -0.014 0.000 2.056 465 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 465 L C 2.157 179.064 176.870 0.062 0.000 1.078 465 L CA 1.581 56.431 54.840 0.016 0.000 0.749 465 L CB -0.553 41.479 42.059 -0.044 0.000 0.901 465 L HN -0.108 nan 8.230 nan 0.000 0.433 466 S N -0.405 115.296 115.700 0.001 0.000 2.368 466 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 466 S C 1.836 176.564 174.600 0.214 0.000 1.030 466 S CA 1.509 59.739 58.200 0.049 0.000 0.999 466 S CB -0.572 62.549 63.200 -0.131 0.000 0.844 466 S HN 0.476 nan 8.310 nan 0.000 0.459 467 L N 0.730 122.120 121.223 0.279 0.000 2.042 467 L HA -0.012 4.327 4.340 -0.001 0.000 0.210 467 L C 1.842 178.815 176.870 0.172 0.000 1.076 467 L CA 1.642 56.650 54.840 0.280 0.000 0.749 467 L CB -0.623 41.568 42.059 0.220 0.000 0.893 467 L HN 0.283 nan 8.230 nan 0.000 0.432 468 F N -0.246 119.671 119.950 -0.053 0.000 2.546 468 F HA -0.112 4.415 4.527 -0.001 0.000 0.298 468 F C 2.117 177.830 175.800 -0.145 0.000 1.120 468 F CA 0.813 58.667 58.000 -0.243 0.000 1.456 468 F CB -0.228 38.662 39.000 -0.184 0.000 1.088 468 F HN 0.259 nan 8.300 nan 0.000 0.572 469 Q N -0.454 119.299 119.800 -0.078 0.000 2.488 469 Q HA -0.119 4.220 4.340 -0.001 0.000 0.211 469 Q C 0.476 176.405 176.000 -0.118 0.000 0.967 469 Q CA 0.360 56.095 55.803 -0.114 0.000 0.926 469 Q CB -1.256 27.488 28.738 0.009 0.000 0.992 469 Q HN 0.490 nan 8.270 nan 0.000 0.506 470 H N 1.928 120.876 119.070 -0.204 0.000 3.016 470 H HA -0.111 4.444 4.556 -0.001 0.000 0.345 470 H C 1.292 176.455 175.328 -0.275 0.000 1.066 470 H CA 0.677 56.603 56.048 -0.203 0.000 1.390 470 H CB 0.570 30.232 29.762 -0.168 0.000 1.344 470 H HN 0.240 nan 8.280 nan 0.000 0.605 471 H N 2.036 120.668 119.070 -0.730 0.000 2.568 471 H HA -0.013 4.542 4.556 -0.001 0.000 0.275 471 H C -0.350 174.533 175.328 -0.742 0.000 1.028 471 H CA 0.748 56.332 56.048 -0.773 0.000 1.173 471 H CB 0.272 29.581 29.762 -0.755 0.000 1.335 471 H HN 0.605 nan 8.280 nan 0.000 0.614 472 D N 0.177 119.909 120.400 -1.113 0.000 2.527 472 D HA 0.129 4.769 4.640 -0.001 0.000 0.224 472 D C 1.591 177.875 176.300 -0.027 0.000 1.217 472 D CA 0.297 54.163 54.000 -0.223 0.000 0.819 472 D CB 0.858 41.755 40.800 0.163 0.000 1.061 472 D HN 0.511 nan 8.370 nan 0.000 0.515 473 G N 1.281 109.842 108.800 -0.398 0.000 2.549 473 G HA2 0.001 3.961 3.960 -0.001 0.000 0.219 473 G HA3 0.001 3.961 3.960 -0.001 0.000 0.219 473 G C 1.340 175.627 174.900 -1.021 0.000 1.677 473 G CA -0.203 44.410 45.100 -0.813 0.000 0.929 473 G HN 0.195 nan 8.290 nan 0.000 0.549 474 I N 2.036 121.689 120.570 -1.528 0.000 2.530 474 I HA -0.200 3.970 4.170 -0.001 0.000 0.257 474 I C 2.866 178.873 176.117 -0.184 0.000 1.179 474 I CA 2.068 62.785 61.300 -0.972 0.000 1.440 474 I CB -0.059 37.575 38.000 -0.609 0.000 1.087 474 I HN 0.388 nan 8.210 nan 0.000 0.440 475 T N -1.689 112.811 114.554 -0.090 0.000 3.007 475 T HA 0.020 4.370 4.350 -0.001 0.000 0.270 475 T C 1.548 176.397 174.700 0.247 0.000 1.107 475 T CA 0.653 62.901 62.100 0.246 0.000 1.118 475 T CB -0.504 68.500 68.868 0.225 0.000 0.889 475 T HN 0.635 nan 8.240 nan 0.000 0.506 476 G N 1.450 110.348 108.800 0.164 0.000 2.176 476 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.252 476 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.252 476 G C 0.567 175.541 174.900 0.125 0.000 1.024 476 G CA 0.638 45.858 45.100 0.200 0.000 0.755 476 G HN 1.126 nan 8.290 nan 0.000 0.507 477 T N -3.252 111.369 114.554 0.113 0.000 3.214 477 T HA 0.735 5.085 4.350 -0.001 0.000 0.264 477 T C 0.918 175.815 174.700 0.328 0.000 1.012 477 T CA 1.042 63.143 62.100 0.002 0.000 0.901 477 T CB 0.956 69.659 68.868 -0.274 0.000 1.070 477 T HN 1.553 nan 8.240 nan 0.000 0.561 478 A N 1.298 124.333 122.820 0.359 0.000 2.256 478 A HA 0.692 5.012 4.320 -0.001 0.000 0.318 478 A C 0.235 177.931 177.584 0.185 0.000 1.103 478 A CA -0.934 51.358 52.037 0.426 0.000 0.860 478 A CB 0.828 20.120 19.000 0.487 0.000 1.182 478 A HN 0.416 nan 8.150 nan 0.000 0.501 479 K N -0.436 120.001 120.400 0.062 0.000 2.230 479 K HA 0.178 4.498 4.320 -0.001 0.000 0.253 479 K C 1.096 177.706 176.600 0.016 0.000 1.008 479 K CA 0.329 56.626 56.287 0.016 0.000 0.910 479 K CB 0.310 32.808 32.500 -0.004 0.000 0.994 479 K HN 0.716 nan 8.250 nan 0.000 0.495 480 T N 1.081 115.671 114.554 0.060 0.000 2.684 480 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 480 T C 1.644 176.375 174.700 0.052 0.000 1.036 480 T CA 1.733 63.871 62.100 0.064 0.000 1.148 480 T CB -0.393 68.522 68.868 0.079 0.000 0.863 480 T HN 0.676 nan 8.240 nan 0.000 0.436 481 H N 0.529 119.594 119.070 -0.008 0.000 2.524 481 H HA 0.126 4.681 4.556 -0.001 0.000 0.282 481 H C 1.957 177.260 175.328 -0.041 0.000 1.016 481 H CA 0.702 56.739 56.048 -0.019 0.000 1.270 481 H CB -0.722 29.024 29.762 -0.026 0.000 1.394 481 H HN 0.267 nan 8.280 nan 0.000 0.568 482 V N 1.028 120.586 119.914 -0.593 0.000 2.407 482 V HA -0.149 3.970 4.120 -0.001 0.000 0.245 482 V C 2.966 178.873 176.094 -0.313 0.000 1.041 482 V CA 1.024 63.008 62.300 -0.527 0.000 1.040 482 V CB -0.359 31.219 31.823 -0.409 0.000 0.671 482 V HN 0.232 nan 8.190 nan 0.000 0.455 483 V N -0.039 119.825 119.914 -0.083 0.000 2.407 483 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 483 V C 2.442 178.514 176.094 -0.036 0.000 1.055 483 V CA 1.800 64.115 62.300 0.025 0.000 1.049 483 V CB -0.395 31.400 31.823 -0.046 0.000 0.662 483 V HN 0.416 nan 8.190 nan 0.000 0.455 484 V N 0.389 120.286 119.914 -0.030 0.000 2.427 484 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 484 V C 2.297 178.405 176.094 0.023 0.000 1.051 484 V CA 2.344 64.660 62.300 0.026 0.000 1.048 484 V CB -0.615 31.235 31.823 0.045 0.000 0.666 484 V HN 0.649 nan 8.190 nan 0.000 0.456 485 D N -0.872 119.496 120.400 -0.054 0.000 2.117 485 D HA -0.204 4.436 4.640 -0.001 0.000 0.197 485 D C 1.998 178.308 176.300 0.017 0.000 0.987 485 D CA 1.642 55.609 54.000 -0.056 0.000 0.829 485 D CB -0.244 40.461 40.800 -0.158 0.000 0.961 485 D HN 0.590 nan 8.370 nan 0.000 0.460 486 Y N 0.423 120.759 120.300 0.060 0.000 2.181 486 Y HA -0.124 4.425 4.550 -0.001 0.000 0.288 486 Y C 2.575 178.441 175.900 -0.056 0.000 1.146 486 Y CA 1.114 59.243 58.100 0.048 0.000 1.164 486 Y CB -0.126 38.428 38.460 0.157 0.000 0.982 486 Y HN 0.080 nan 8.280 nan 0.000 0.515 487 E N 0.530 120.827 120.200 0.162 0.000 2.051 487 E HA -0.271 4.079 4.350 -0.001 0.000 0.192 487 E C 2.012 178.682 176.600 0.117 0.000 0.991 487 E CA 1.487 57.996 56.400 0.182 0.000 0.799 487 E CB -0.060 29.832 29.700 0.320 0.000 0.748 487 E HN 0.562 nan 8.360 nan 0.000 0.449 488 Q N -0.069 119.790 119.800 0.099 0.000 2.096 488 Q HA -0.179 4.161 4.340 -0.001 0.000 0.204 488 Q C 2.344 178.376 176.000 0.053 0.000 0.982 488 Q CA 1.459 57.305 55.803 0.071 0.000 0.850 488 Q CB -0.133 28.640 28.738 0.059 0.000 0.901 488 Q HN 0.214 nan 8.270 nan 0.000 0.422 489 R N 0.140 120.676 120.500 0.060 0.000 2.081 489 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 489 R C 2.285 178.590 176.300 0.009 0.000 1.131 489 R CA 1.438 57.565 56.100 0.045 0.000 0.960 489 R CB -0.184 30.168 30.300 0.086 0.000 0.856 489 R HN 0.293 nan 8.270 nan 0.000 0.436 490 M N 0.043 119.631 119.600 -0.020 0.000 2.229 490 M HA -0.155 4.324 4.480 -0.001 0.000 0.264 490 M C 2.291 178.550 176.300 -0.069 0.000 1.063 490 M CA 1.324 56.569 55.300 -0.091 0.000 1.114 490 M CB -0.122 32.354 32.600 -0.207 0.000 1.387 490 M HN 0.054 nan 8.290 nan 0.000 0.420 491 Q N 0.962 120.760 119.800 -0.005 0.000 2.084 491 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 491 Q C 1.759 177.759 176.000 -0.001 0.000 0.978 491 Q CA 1.592 57.407 55.803 0.019 0.000 0.844 491 Q CB -0.016 28.760 28.738 0.064 0.000 0.898 491 Q HN 0.329 nan 8.270 nan 0.000 0.426 492 E N -0.211 119.990 120.200 0.002 0.000 2.106 492 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 492 E C 1.836 178.425 176.600 -0.018 0.000 0.984 492 E CA 1.092 57.492 56.400 -0.001 0.000 0.806 492 E CB -0.423 29.280 29.700 0.005 0.000 0.750 492 E HN 0.468 nan 8.360 nan 0.000 0.458 493 A N 1.238 124.036 122.820 -0.036 0.000 1.902 493 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 493 A C 2.398 179.947 177.584 -0.058 0.000 1.181 493 A CA 1.049 53.054 52.037 -0.053 0.000 0.623 493 A CB -0.723 18.233 19.000 -0.073 0.000 0.818 493 A HN 0.178 nan 8.150 nan 0.000 0.443 494 L N -0.631 120.535 121.223 -0.096 0.000 2.046 494 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 494 L C 2.624 179.496 176.870 0.003 0.000 1.077 494 L CA 1.794 56.555 54.840 -0.131 0.000 0.747 494 L CB -0.433 41.484 42.059 -0.237 0.000 0.896 494 L HN 0.370 nan 8.230 nan 0.000 0.432 495 K N -0.132 120.272 120.400 0.006 0.000 2.063 495 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 495 K C 2.208 178.827 176.600 0.031 0.000 1.048 495 K CA 1.412 57.718 56.287 0.031 0.000 0.928 495 K CB -0.268 32.242 32.500 0.017 0.000 0.713 495 K HN 0.305 nan 8.250 nan 0.000 0.442 496 A N 1.094 123.919 122.820 0.010 0.000 1.902 496 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 496 A C 2.455 180.043 177.584 0.007 0.000 1.181 496 A CA 1.439 53.473 52.037 -0.004 0.000 0.623 496 A CB -0.948 18.036 19.000 -0.026 0.000 0.818 496 A HN 0.400 nan 8.150 nan 0.000 0.443 497 C N -1.013 118.309 119.300 0.037 0.000 2.432 497 C HA -0.131 4.328 4.460 -0.001 0.000 0.277 497 C C 2.873 177.924 174.990 0.102 0.000 1.249 497 C CA 1.302 60.362 59.018 0.069 0.000 1.725 497 C CB -1.276 26.564 27.740 0.165 0.000 2.028 497 C HN 0.794 nan 8.230 nan 0.000 0.477 498 Q N 0.230 120.124 119.800 0.157 0.000 2.061 498 Q HA -0.293 4.046 4.340 -0.001 0.000 0.204 498 Q C 2.158 178.236 176.000 0.130 0.000 0.984 498 Q CA 2.176 58.076 55.803 0.161 0.000 0.846 498 Q CB -0.286 28.550 28.738 0.164 0.000 0.902 498 Q HN 0.591 nan 8.270 nan 0.000 0.421 499 M N -0.134 119.513 119.600 0.078 0.000 2.080 499 M HA -0.147 4.332 4.480 -0.001 0.000 0.260 499 M C 1.869 178.188 176.300 0.031 0.000 1.068 499 M CA 1.628 56.962 55.300 0.057 0.000 1.109 499 M CB -0.536 32.077 32.600 0.022 0.000 1.342 499 M HN 0.144 nan 8.290 nan 0.000 0.405 500 V N 0.248 120.142 119.914 -0.033 0.000 2.295 500 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 500 V C 2.477 178.525 176.094 -0.077 0.000 1.049 500 V CA 2.236 64.456 62.300 -0.133 0.000 1.024 500 V CB -0.711 31.009 31.823 -0.172 0.000 0.648 500 V HN 0.569 nan 8.190 nan 0.000 0.447 501 M N 0.157 119.767 119.600 0.017 0.000 2.117 501 M HA -0.264 4.216 4.480 -0.001 0.000 0.262 501 M C 2.407 178.728 176.300 0.035 0.000 1.065 501 M CA 2.396 57.734 55.300 0.063 0.000 1.114 501 M CB -0.468 32.281 32.600 0.247 0.000 1.361 501 M HN 0.568 nan 8.290 nan 0.000 0.408 502 Q N -0.137 119.776 119.800 0.189 0.000 2.119 502 Q HA -0.144 4.196 4.340 -0.001 0.000 0.201 502 Q C 1.819 177.978 176.000 0.265 0.000 0.972 502 Q CA 1.204 57.138 55.803 0.220 0.000 0.847 502 Q CB -0.615 28.361 28.738 0.396 0.000 0.903 502 Q HN 0.408 nan 8.270 nan 0.000 0.433 503 Q N 0.557 120.510 119.800 0.255 0.000 2.124 503 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 503 Q C 2.291 178.517 176.000 0.377 0.000 0.977 503 Q CA 1.715 57.745 55.803 0.379 0.000 0.850 503 Q CB -0.195 28.682 28.738 0.231 0.000 0.901 503 Q HN 0.513 nan 8.270 nan 0.000 0.429 504 S N 0.365 116.164 115.700 0.165 0.000 2.368 504 S HA -0.082 4.387 4.470 -0.001 0.000 0.224 504 S C 2.217 176.823 174.600 0.009 0.000 1.029 504 S CA 0.976 59.311 58.200 0.225 0.000 0.988 504 S CB -0.211 63.060 63.200 0.118 0.000 0.838 504 S HN 0.125 nan 8.310 nan 0.000 0.462 505 V N 0.925 120.705 119.914 -0.224 0.000 2.332 505 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 505 V C 2.028 178.034 176.094 -0.147 0.000 1.055 505 V CA 1.875 63.908 62.300 -0.445 0.000 1.038 505 V CB -0.767 30.364 31.823 -1.152 0.000 0.651 505 V HN 0.556 nan 8.190 nan 0.000 0.450 506 Y N 1.294 121.582 120.300 -0.020 0.000 2.181 506 Y HA -0.240 4.310 4.550 -0.001 0.000 0.288 506 Y C 2.728 178.688 175.900 0.100 0.000 1.146 506 Y CA 2.187 60.399 58.100 0.187 0.000 1.164 506 Y CB -0.371 38.154 38.460 0.108 0.000 0.982 506 Y HN 0.105 nan 8.280 nan 0.000 0.515 507 R N -0.142 120.239 120.500 -0.199 0.000 2.092 507 R HA -0.096 4.243 4.340 -0.001 0.000 0.231 507 R C 2.162 178.127 176.300 -0.560 0.000 1.119 507 R CA 1.540 57.169 56.100 -0.786 0.000 0.970 507 R CB -0.372 29.439 30.300 -0.816 0.000 0.864 507 R HN 0.453 nan 8.270 nan 0.000 0.440 508 L N 0.328 121.363 121.223 -0.313 0.000 2.217 508 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 508 L C 1.385 178.124 176.870 -0.218 0.000 1.107 508 L CA 0.812 55.434 54.840 -0.363 0.000 0.783 508 L CB 0.105 41.799 42.059 -0.608 0.000 0.919 508 L HN 0.234 nan 8.230 nan 0.000 0.442 509 L N -1.164 120.036 121.223 -0.038 0.000 3.066 509 L HA 0.221 4.561 4.340 -0.001 0.000 0.265 509 L C -0.228 176.744 176.870 0.170 0.000 1.232 509 L CA -0.122 54.802 54.840 0.141 0.000 1.031 509 L CB 0.391 42.697 42.059 0.411 0.000 1.379 509 L HN -0.010 nan 8.230 nan 0.000 0.563 510 T N 0.020 114.577 114.554 0.006 0.000 2.841 510 T HA 0.187 4.536 4.350 -0.001 0.000 0.283 510 T C -0.139 174.503 174.700 -0.097 0.000 1.000 510 T CA -0.581 61.512 62.100 -0.011 0.000 0.977 510 T CB 2.434 71.244 68.868 -0.097 0.000 0.979 510 T HN 0.021 nan 8.240 nan 0.000 0.446 511 K N 3.723 124.077 120.400 -0.076 0.000 2.491 511 K HA -0.006 4.313 4.320 -0.001 0.000 0.279 511 K C -1.710 174.863 176.600 -0.046 0.000 1.026 511 K CA -1.141 55.106 56.287 -0.066 0.000 1.070 511 K CB 0.469 32.935 32.500 -0.056 0.000 0.887 511 K HN 0.180 nan 8.250 nan 0.000 0.481 512 P HA -0.206 nan 4.420 nan 0.000 0.216 512 P C 0.840 178.153 177.300 0.022 0.000 1.150 512 P CA 1.509 64.586 63.100 -0.038 0.000 0.843 512 P CB 0.134 31.802 31.700 -0.053 0.000 0.787 513 S N -2.160 113.543 115.700 0.005 0.000 2.603 513 S HA 0.023 4.492 4.470 -0.001 0.000 0.229 513 S C 1.658 176.269 174.600 0.017 0.000 0.972 513 S CA 0.638 58.844 58.200 0.010 0.000 0.935 513 S CB -1.124 62.075 63.200 -0.002 0.000 0.769 513 S HN 0.122 nan 8.310 nan 0.000 0.536 514 I N -1.014 119.574 120.570 0.030 0.000 4.032 514 I HA 0.216 4.385 4.170 -0.001 0.000 0.313 514 I C 0.460 176.620 176.117 0.073 0.000 1.272 514 I CA -0.471 60.854 61.300 0.041 0.000 1.307 514 I CB -0.019 38.003 38.000 0.036 0.000 1.155 514 I HN 0.232 nan 8.210 nan 0.000 0.431 515 Y N 3.030 123.277 120.300 -0.088 0.000 2.852 515 Y HA -0.098 4.452 4.550 -0.001 0.000 0.343 515 Y C 0.476 176.350 175.900 -0.044 0.000 1.280 515 Y CA 0.085 58.086 58.100 -0.164 0.000 1.604 515 Y CB 0.279 38.579 38.460 -0.267 0.000 1.216 515 Y HN -0.104 nan 8.280 nan 0.000 0.541 516 S N 8.980 124.483 115.700 -0.328 0.000 2.216 516 S HA 0.362 4.831 4.470 -0.001 0.000 0.156 516 S C -2.821 171.593 174.600 -0.311 0.000 1.665 516 S CA -1.252 56.765 58.200 -0.305 0.000 1.262 516 S CB -0.028 63.117 63.200 -0.092 0.000 1.207 516 S HN 0.652 nan 8.310 nan 0.000 0.427 517 P HA 0.328 nan 4.420 nan 0.000 0.279 517 P C -1.176 175.894 177.300 -0.383 0.000 1.239 517 P CA -0.178 62.697 63.100 -0.374 0.000 0.789 517 P CB 0.928 32.347 31.700 -0.468 0.000 0.933 518 D N 2.520 122.889 120.400 -0.050 0.000 2.461 518 D HA 0.157 4.797 4.640 -0.001 0.000 0.240 518 D C 0.413 176.774 176.300 0.101 0.000 1.094 518 D CA -0.739 53.210 54.000 -0.084 0.000 0.868 518 D CB 0.069 40.848 40.800 -0.036 0.000 1.062 518 D HN 0.022 nan 8.370 nan 0.000 0.530 519 F N 1.607 121.686 119.950 0.216 0.000 2.529 519 F HA -0.096 4.431 4.527 -0.001 0.000 0.297 519 F C 2.394 178.286 175.800 0.153 0.000 1.114 519 F CA 0.803 58.930 58.000 0.213 0.000 1.467 519 F CB -0.540 38.562 39.000 0.170 0.000 1.096 519 F HN 0.366 nan 8.300 nan 0.000 0.586 520 S N -2.104 113.754 115.700 0.262 0.000 2.539 520 S HA 0.133 4.602 4.470 -0.001 0.000 0.221 520 S C 0.318 174.972 174.600 0.090 0.000 0.987 520 S CA -0.469 57.824 58.200 0.155 0.000 0.929 520 S CB -0.642 62.625 63.200 0.112 0.000 0.832 520 S HN 0.070 nan 8.310 nan 0.000 0.492 521 F N 3.083 122.986 119.950 -0.079 0.000 2.399 521 F HA 0.562 5.089 4.527 -0.001 0.000 0.342 521 F C 0.109 175.685 175.800 -0.372 0.000 1.106 521 F CA -0.542 57.275 58.000 -0.305 0.000 1.196 521 F CB 1.363 40.027 39.000 -0.561 0.000 1.163 521 F HN -0.032 nan 8.300 nan 0.000 0.547 522 S N 6.238 121.165 115.700 -1.288 0.000 2.464 522 S HA 0.148 4.618 4.470 -0.001 0.000 0.313 522 S C 0.428 174.397 174.600 -1.051 0.000 1.078 522 S CA -0.329 57.368 58.200 -0.839 0.000 1.096 522 S CB -0.197 62.653 63.200 -0.584 0.000 1.032 522 S HN 0.671 nan 8.310 nan 0.000 0.498 523 Y N 1.698 121.785 120.300 -0.355 0.000 2.314 523 Y HA 0.151 4.700 4.550 -0.001 0.000 0.293 523 Y C 0.359 175.753 175.900 -0.844 0.000 1.129 523 Y CA 0.788 58.583 58.100 -0.510 0.000 1.201 523 Y CB 0.182 38.412 38.460 -0.384 0.000 0.999 523 Y HN 0.490 nan 8.280 nan 0.000 0.541 524 F N -1.789 118.119 119.950 -0.070 0.000 2.599 524 F HA 0.452 4.979 4.527 -0.001 0.000 0.311 524 F C -0.214 175.619 175.800 0.055 0.000 1.076 524 F CA -1.315 56.704 58.000 0.031 0.000 0.937 524 F CB 1.711 40.857 39.000 0.243 0.000 1.282 524 F HN -0.515 nan 8.300 nan 0.000 0.460 525 T N 3.147 117.868 114.554 0.278 0.000 2.797 525 T HA 0.525 4.874 4.350 -0.001 0.000 0.279 525 T C -0.249 174.573 174.700 0.204 0.000 0.991 525 T CA -0.568 61.633 62.100 0.167 0.000 0.979 525 T CB 1.015 69.934 68.868 0.084 0.000 0.943 525 T HN 0.328 nan 8.240 nan 0.000 0.444 526 L N 2.651 123.932 121.223 0.095 0.000 2.417 526 L HA 0.383 4.723 4.340 -0.001 0.000 0.268 526 L C 0.157 177.013 176.870 -0.023 0.000 1.158 526 L CA -0.198 54.587 54.840 -0.092 0.000 0.819 526 L CB 0.714 42.688 42.059 -0.142 0.000 1.112 526 L HN 0.670 nan 8.230 nan 0.000 0.458 527 D N 1.346 121.702 120.400 -0.073 0.000 2.593 527 D HA 0.221 4.861 4.640 -0.001 0.000 0.251 527 D C -1.329 174.888 176.300 -0.139 0.000 1.140 527 D CA -0.410 53.551 54.000 -0.064 0.000 0.855 527 D CB 1.217 42.011 40.800 -0.010 0.000 1.267 527 D HN 0.268 nan 8.370 nan 0.000 0.532 528 D N 2.422 122.768 120.400 -0.089 0.000 2.481 528 D HA 0.204 4.844 4.640 -0.001 0.000 0.246 528 D C 0.083 176.325 176.300 -0.098 0.000 1.109 528 D CA -0.454 53.516 54.000 -0.050 0.000 0.845 528 D CB 1.940 42.817 40.800 0.128 0.000 1.160 528 D HN 0.258 nan 8.370 nan 0.000 0.534 529 S N 2.634 118.249 115.700 -0.143 0.000 2.489 529 S HA 0.023 4.493 4.470 -0.001 0.000 0.228 529 S C 1.382 175.938 174.600 -0.072 0.000 0.995 529 S CA 0.538 58.647 58.200 -0.151 0.000 0.934 529 S CB 0.372 63.470 63.200 -0.169 0.000 0.771 529 S HN 0.488 nan 8.310 nan 0.000 0.522 530 R N -0.596 119.893 120.500 -0.017 0.000 2.508 530 R HA 0.223 4.563 4.340 -0.001 0.000 0.300 530 R C -0.631 175.739 176.300 0.116 0.000 0.970 530 R CA -0.108 56.008 56.100 0.026 0.000 1.102 530 R CB 0.744 31.057 30.300 0.022 0.000 1.246 530 R HN 0.331 nan 8.270 nan 0.000 0.539 531 W N 1.259 122.514 121.300 -0.075 0.000 3.211 531 W HA 0.289 4.949 4.660 -0.001 0.000 0.335 531 W C -2.888 173.589 176.519 -0.070 0.000 1.113 531 W CA -2.015 55.273 57.345 -0.094 0.000 1.235 531 W CB 1.808 31.196 29.460 -0.121 0.000 1.365 531 W HN -0.184 nan 8.180 nan 0.000 0.476 532 P HA 0.095 nan 4.420 nan 0.000 0.226 532 P C 0.357 177.258 177.300 -0.666 0.000 1.153 532 P CA 1.686 63.877 63.100 -1.515 0.000 0.777 532 P CB 0.295 31.383 31.700 -1.021 0.000 0.794 533 G N -0.795 107.804 108.800 -0.335 0.000 2.617 533 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.686 533 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.686 533 G C -0.372 174.464 174.900 -0.108 0.000 1.214 533 G CA -0.438 44.565 45.100 -0.162 0.000 0.796 533 G HN 0.167 nan 8.290 nan 0.000 0.654 534 S N 0.276 115.954 115.700 -0.037 0.000 2.546 534 S HA 0.523 4.992 4.470 -0.001 0.000 0.290 534 S C 1.902 176.497 174.600 -0.008 0.000 1.290 534 S CA 1.918 60.128 58.200 0.017 0.000 1.069 534 S CB 0.492 63.742 63.200 0.083 0.000 0.846 534 S HN 2.789 nan 8.310 nan 0.000 0.495 535 G N 2.672 111.466 108.800 -0.009 0.000 2.199 535 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.254 535 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.254 535 G C 0.611 175.479 174.900 -0.053 0.000 0.982 535 G CA 0.357 45.441 45.100 -0.027 0.000 0.632 535 G HN 0.979 nan 8.290 nan 0.000 0.529 536 V N -0.540 119.325 119.914 -0.082 0.000 2.627 536 V HA 0.366 4.485 4.120 -0.001 0.000 0.239 536 V C 0.854 176.880 176.094 -0.113 0.000 1.077 536 V CA 1.652 63.886 62.300 -0.111 0.000 1.103 536 V CB 0.402 32.118 31.823 -0.178 0.000 0.802 536 V HN 0.354 nan 8.190 nan 0.000 0.482 537 E N 0.186 120.311 120.200 -0.125 0.000 2.343 537 E HA 0.305 4.654 4.350 -0.001 0.000 0.278 537 E C -1.671 174.893 176.600 -0.059 0.000 0.910 537 E CA -0.520 55.822 56.400 -0.097 0.000 0.757 537 E CB 2.283 31.904 29.700 -0.132 0.000 1.218 537 E HN 0.233 nan 8.360 nan 0.000 0.435 538 D N 0.865 121.252 120.400 -0.023 0.000 2.468 538 D HA 0.134 4.774 4.640 -0.001 0.000 0.218 538 D C 0.561 176.864 176.300 0.006 0.000 1.155 538 D CA 0.036 54.044 54.000 0.013 0.000 0.924 538 D CB 0.332 41.146 40.800 0.024 0.000 1.029 538 D HN 0.307 nan 8.370 nan 0.000 0.515 539 S N 2.773 118.470 115.700 -0.005 0.000 2.549 539 S HA 0.207 4.677 4.470 -0.001 0.000 0.225 539 S C 0.903 175.503 174.600 0.001 0.000 1.039 539 S CA -0.540 57.654 58.200 -0.011 0.000 0.942 539 S CB 0.219 63.394 63.200 -0.042 0.000 0.881 539 S HN 0.260 nan 8.310 nan 0.000 0.503 540 R N 2.852 123.350 120.500 -0.005 0.000 2.543 540 R HA 0.367 4.706 4.340 -0.001 0.000 0.277 540 R C 0.170 176.501 176.300 0.053 0.000 1.074 540 R CA 0.440 56.517 56.100 -0.038 0.000 1.076 540 R CB 0.525 30.682 30.300 -0.238 0.000 0.993 540 R HN 0.511 nan 8.270 nan 0.000 0.459 541 T N -0.919 113.669 114.554 0.057 0.000 2.909 541 T HA 0.227 4.577 4.350 -0.001 0.000 0.286 541 T C 0.221 175.024 174.700 0.172 0.000 1.002 541 T CA -0.748 61.413 62.100 0.103 0.000 1.074 541 T CB 1.557 70.474 68.868 0.083 0.000 0.984 541 T HN 0.343 nan 8.240 nan 0.000 0.495 542 T N 3.334 117.999 114.554 0.185 0.000 2.806 542 T HA 0.408 4.758 4.350 -0.001 0.000 0.290 542 T C 0.426 175.232 174.700 0.177 0.000 0.966 542 T CA -0.541 61.694 62.100 0.225 0.000 1.060 542 T CB 0.241 69.207 68.868 0.162 0.000 0.927 542 T HN 0.569 nan 8.240 nan 0.000 0.485 543 I N 4.412 125.106 120.570 0.206 0.000 2.436 543 I HA 0.156 4.325 4.170 -0.001 0.000 0.289 543 I C 0.207 176.412 176.117 0.148 0.000 1.083 543 I CA -0.267 61.133 61.300 0.167 0.000 1.372 543 I CB 0.304 38.407 38.000 0.172 0.000 1.408 543 I HN 0.372 nan 8.210 nan 0.000 0.516 544 I N 8.193 128.835 120.570 0.119 0.000 2.301 544 I HA 0.345 4.515 4.170 -0.001 0.000 0.292 544 I C 0.007 176.188 176.117 0.106 0.000 1.046 544 I CA -0.118 61.245 61.300 0.105 0.000 1.282 544 I CB 0.448 38.497 38.000 0.081 0.000 1.409 544 I HN 0.435 nan 8.210 nan 0.000 0.484 545 L N 5.270 126.561 121.223 0.113 0.000 2.323 545 L HA 0.959 5.298 4.340 -0.001 0.000 0.265 545 L C 0.172 177.103 176.870 0.102 0.000 1.012 545 L CA -0.619 54.287 54.840 0.110 0.000 0.820 545 L CB 2.446 44.577 42.059 0.120 0.000 1.334 545 L HN 0.720 nan 8.230 nan 0.000 0.427 546 G N 0.097 108.952 108.800 0.092 0.000 2.473 546 G HA2 0.194 4.153 3.960 -0.001 0.000 0.298 546 G HA3 0.194 4.153 3.960 -0.001 0.000 0.298 546 G C -0.302 174.641 174.900 0.072 0.000 1.575 546 G CA -0.509 44.641 45.100 0.085 0.000 0.846 546 G HN 0.670 nan 8.290 nan 0.000 0.585 547 E N 0.088 120.328 120.200 0.066 0.000 2.160 547 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 547 E C 0.860 177.488 176.600 0.046 0.000 0.991 547 E CA 1.276 57.707 56.400 0.052 0.000 0.810 547 E CB 0.257 29.982 29.700 0.042 0.000 0.742 547 E HN 0.477 nan 8.360 nan 0.000 0.466 548 D N -0.470 119.958 120.400 0.047 0.000 2.339 548 D HA 0.102 4.741 4.640 -0.001 0.000 0.217 548 D C 1.379 177.705 176.300 0.043 0.000 1.050 548 D CA 0.304 54.328 54.000 0.041 0.000 0.856 548 D CB 0.777 41.599 40.800 0.036 0.000 0.922 548 D HN 0.232 nan 8.370 nan 0.000 0.518 549 I N -0.916 119.685 120.570 0.052 0.000 4.547 549 I HA 0.118 4.288 4.170 -0.001 0.000 0.303 549 I C -1.277 174.878 176.117 0.063 0.000 1.188 549 I CA 0.063 61.395 61.300 0.053 0.000 1.320 549 I CB 1.282 39.315 38.000 0.054 0.000 1.495 549 I HN -0.195 nan 8.210 nan 0.000 0.462 550 L N 2.054 123.320 121.223 0.072 0.000 2.795 550 L HA 0.475 4.815 4.340 -0.001 0.000 0.260 550 L C -2.540 174.384 176.870 0.090 0.000 0.935 550 L CA -0.890 54.001 54.840 0.085 0.000 0.985 550 L CB 1.727 43.844 42.059 0.096 0.000 1.433 550 L HN -0.184 nan 8.230 nan 0.000 0.447 551 P HA 0.085 nan 4.420 nan 0.000 0.224 551 P C -0.155 177.202 177.300 0.095 0.000 1.157 551 P CA 0.777 63.928 63.100 0.084 0.000 0.799 551 P CB 0.457 32.199 31.700 0.071 0.000 0.809 552 S N -2.004 113.765 115.700 0.115 0.000 2.625 552 S HA 0.727 5.197 4.470 -0.001 0.000 0.271 552 S C -1.306 173.402 174.600 0.179 0.000 1.161 552 S CA -0.700 57.575 58.200 0.124 0.000 0.820 552 S CB 2.451 65.714 63.200 0.105 0.000 1.137 552 S HN -0.108 nan 8.310 nan 0.000 0.470 553 K N 0.499 121.011 120.400 0.186 0.000 2.535 553 K HA 0.566 4.885 4.320 -0.001 0.000 0.251 553 K C -2.070 174.706 176.600 0.294 0.000 0.942 553 K CA -0.220 56.226 56.287 0.266 0.000 0.798 553 K CB 0.963 33.576 32.500 0.189 0.000 1.267 553 K HN 0.839 nan 8.250 nan 0.000 0.434 554 H N 0.937 120.168 119.070 0.268 0.000 2.548 554 H HA 0.483 5.039 4.556 -0.001 0.000 0.331 554 H C -0.260 175.308 175.328 0.400 0.000 1.093 554 H CA -0.107 56.144 56.048 0.339 0.000 1.367 554 H CB 1.093 31.153 29.762 0.497 0.000 1.455 554 H HN 0.405 nan 8.280 nan 0.000 0.519 555 V N 0.999 121.176 119.914 0.438 0.000 2.914 555 V HA 0.784 4.904 4.120 -0.001 0.000 0.314 555 V C -0.720 175.713 176.094 0.566 0.000 1.084 555 V CA -0.874 61.672 62.300 0.411 0.000 0.963 555 V CB 2.071 33.865 31.823 -0.048 0.000 1.025 555 V HN 0.464 nan 8.190 nan 0.000 0.432 556 V N 3.651 123.926 119.914 0.601 0.000 2.709 556 V HA 0.649 4.768 4.120 -0.001 0.000 0.308 556 V C -0.506 175.947 176.094 0.598 0.000 1.062 556 V CA -0.384 62.239 62.300 0.539 0.000 0.901 556 V CB 1.934 33.934 31.823 0.295 0.000 1.003 556 V HN 0.946 nan 8.190 nan 0.000 0.425 557 M N 3.929 123.846 119.600 0.528 0.000 2.436 557 M HA 0.498 4.978 4.480 -0.001 0.000 0.331 557 M C -0.545 176.011 176.300 0.427 0.000 1.135 557 M CA -0.254 55.320 55.300 0.457 0.000 0.987 557 M CB 1.295 34.110 32.600 0.358 0.000 1.687 557 M HN 0.770 nan 8.290 nan 0.000 0.445 558 H N 1.920 121.186 119.070 0.326 0.000 2.492 558 H HA 0.498 5.053 4.556 -0.001 0.000 0.345 558 H C -1.375 174.059 175.328 0.177 0.000 1.136 558 H CA -0.611 55.594 56.048 0.262 0.000 1.202 558 H CB 1.224 31.201 29.762 0.358 0.000 1.524 558 H HN 0.660 nan 8.280 nan 0.000 0.506 559 N N 3.167 121.610 118.700 -0.428 0.000 2.569 559 N HA 0.040 4.779 4.740 -0.001 0.000 0.254 559 N C 0.310 175.481 175.510 -0.566 0.000 1.004 559 N CA -0.310 52.510 53.050 -0.383 0.000 0.904 559 N CB 1.579 39.952 38.487 -0.191 0.000 1.165 559 N HN 0.639 nan 8.380 nan 0.000 0.513 560 T N 2.873 117.126 114.554 -0.501 0.000 3.035 560 T HA 0.146 4.495 4.350 -0.001 0.000 0.268 560 T C 0.719 175.385 174.700 -0.057 0.000 1.109 560 T CA 0.498 62.490 62.100 -0.180 0.000 1.119 560 T CB -0.244 68.668 68.868 0.074 0.000 0.900 560 T HN 0.427 nan 8.240 nan 0.000 0.503 561 L N 2.908 124.043 121.223 -0.146 0.000 2.426 561 L HA 0.270 4.609 4.340 -0.001 0.000 0.271 561 L C -1.518 175.220 176.870 -0.219 0.000 1.169 561 L CA -1.708 53.012 54.840 -0.200 0.000 0.836 561 L CB 0.450 42.246 42.059 -0.438 0.000 1.112 561 L HN -0.010 nan 8.230 nan 0.000 0.465 562 P HA 0.020 nan 4.420 nan 0.000 0.254 562 P C -0.866 176.466 177.300 0.053 0.000 1.631 562 P CA 0.438 63.538 63.100 0.000 0.000 0.861 562 P CB -0.356 31.395 31.700 0.086 0.000 1.663 563 H N -3.420 115.656 119.070 0.011 0.000 3.046 563 H HA 0.225 4.780 4.556 -0.001 0.000 0.361 563 H C -1.076 174.265 175.328 0.021 0.000 1.235 563 H CA -1.073 54.997 56.048 0.037 0.000 1.146 563 H CB -0.112 29.700 29.762 0.084 0.000 1.859 563 H HN -0.133 nan 8.280 nan 0.000 0.548 564 W N 1.774 123.179 121.300 0.175 0.000 2.257 564 W HA 0.224 4.884 4.660 -0.001 0.000 0.337 564 W C 0.910 177.529 176.519 0.167 0.000 1.321 564 W CA 0.500 57.913 57.345 0.113 0.000 1.267 564 W CB 0.465 29.977 29.460 0.086 0.000 1.187 564 W HN 0.544 nan 8.180 nan 0.000 0.565 565 R N 2.303 123.007 120.500 0.341 0.000 2.604 565 R HA 0.311 4.650 4.340 -0.001 0.000 0.281 565 R C -1.170 175.259 176.300 0.216 0.000 1.020 565 R CA -0.653 55.596 56.100 0.249 0.000 0.899 565 R CB 1.460 31.826 30.300 0.110 0.000 1.205 565 R HN 0.505 nan 8.270 nan 0.000 0.450 566 E N 2.479 122.783 120.200 0.173 0.000 2.195 566 E HA 0.272 4.622 4.350 -0.001 0.000 0.271 566 E C -1.349 175.296 176.600 0.075 0.000 0.923 566 E CA -0.841 55.640 56.400 0.135 0.000 0.790 566 E CB 2.523 32.297 29.700 0.123 0.000 1.155 566 E HN 0.427 nan 8.360 nan 0.000 0.402 567 Q N 2.989 122.810 119.800 0.034 0.000 2.386 567 Q HA 0.266 4.605 4.340 -0.001 0.000 0.274 567 Q C -1.580 174.375 176.000 -0.076 0.000 1.011 567 Q CA -0.597 55.197 55.803 -0.016 0.000 0.867 567 Q CB 1.484 30.203 28.738 -0.032 0.000 1.409 567 Q HN 0.550 nan 8.270 nan 0.000 0.395 568 L N 2.965 124.137 121.223 -0.085 0.000 2.426 568 L HA 0.449 4.788 4.340 -0.001 0.000 0.271 568 L C 0.158 176.885 176.870 -0.238 0.000 1.169 568 L CA -0.463 54.287 54.840 -0.149 0.000 0.836 568 L CB 0.862 42.870 42.059 -0.084 0.000 1.112 568 L HN 0.504 nan 8.230 nan 0.000 0.465 569 V N -0.870 118.796 119.914 -0.413 0.000 2.876 569 V HA 0.689 4.809 4.120 -0.001 0.000 0.312 569 V C -1.024 174.784 176.094 -0.477 0.000 1.085 569 V CA -0.873 61.141 62.300 -0.477 0.000 0.945 569 V CB 2.135 33.621 31.823 -0.561 0.000 1.017 569 V HN 0.788 nan 8.190 nan 0.000 0.428 570 D N 1.625 121.749 120.400 -0.459 0.000 2.490 570 D HA 0.677 5.317 4.640 -0.001 0.000 0.232 570 D C -1.293 174.705 176.300 -0.504 0.000 1.053 570 D CA -0.524 53.319 54.000 -0.263 0.000 0.914 570 D CB 2.405 43.151 40.800 -0.089 0.000 1.431 570 D HN 0.452 nan 8.370 nan 0.000 0.483 571 F N -0.461 119.536 119.950 0.080 0.000 2.599 571 F HA 0.342 4.869 4.527 -0.001 0.000 0.311 571 F C -0.637 175.301 175.800 0.230 0.000 1.076 571 F CA -1.042 57.011 58.000 0.089 0.000 0.937 571 F CB 1.596 40.699 39.000 0.172 0.000 1.282 571 F HN 0.131 nan 8.300 nan 0.000 0.460 572 Y N 2.025 122.483 120.300 0.264 0.000 2.304 572 Y HA 0.569 5.119 4.550 -0.001 0.000 0.328 572 Y C 0.163 176.187 175.900 0.206 0.000 1.123 572 Y CA -1.490 56.715 58.100 0.175 0.000 1.218 572 Y CB 0.979 39.494 38.460 0.093 0.000 1.207 572 Y HN 0.334 nan 8.280 nan 0.000 0.495 573 V N -0.469 119.657 119.914 0.353 0.000 2.962 573 V HA 0.524 4.644 4.120 -0.001 0.000 0.313 573 V C 0.386 176.631 176.094 0.252 0.000 1.099 573 V CA -0.731 61.735 62.300 0.277 0.000 0.971 573 V CB 1.670 33.653 31.823 0.267 0.000 1.028 573 V HN 0.694 nan 8.190 nan 0.000 0.430 574 S N 0.627 116.451 115.700 0.207 0.000 2.607 574 S HA 0.194 4.663 4.470 -0.001 0.000 0.224 574 S C 0.707 175.472 174.600 0.274 0.000 0.969 574 S CA 0.577 58.891 58.200 0.191 0.000 0.927 574 S CB -0.280 62.999 63.200 0.132 0.000 0.772 574 S HN 1.500 nan 8.310 nan 0.000 0.533 575 S N 1.134 116.990 115.700 0.261 0.000 2.541 575 S HA 0.560 5.029 4.470 -0.001 0.000 0.271 575 S C -2.630 171.871 174.600 -0.164 0.000 1.133 575 S CA -1.332 56.903 58.200 0.058 0.000 0.876 575 S CB 2.011 65.260 63.200 0.081 0.000 1.105 575 S HN 0.023 nan 8.310 nan 0.000 0.470 576 P HA 0.191 nan 4.420 nan 0.000 0.245 576 P C -0.157 176.913 177.300 -0.383 0.000 1.206 576 P CA 0.273 62.952 63.100 -0.702 0.000 0.781 576 P CB -0.161 30.817 31.700 -1.203 0.000 0.994 577 F N 0.896 120.854 119.950 0.013 0.000 2.467 577 F HA 0.287 4.813 4.527 -0.001 0.000 0.349 577 F C 0.343 176.189 175.800 0.077 0.000 1.182 577 F CA -0.813 57.229 58.000 0.070 0.000 1.279 577 F CB 0.495 39.498 39.000 0.006 0.000 1.626 577 F HN -0.343 nan 8.300 nan 0.000 0.596 578 V N 1.252 121.295 119.914 0.215 0.000 2.709 578 V HA 0.556 4.675 4.120 -0.001 0.000 0.308 578 V C -0.405 175.758 176.094 0.115 0.000 1.062 578 V CA -0.820 61.569 62.300 0.149 0.000 0.901 578 V CB 2.354 34.256 31.823 0.132 0.000 1.003 578 V HN 0.550 nan 8.190 nan 0.000 0.425 579 S N 2.741 118.491 115.700 0.083 0.000 2.600 579 S HA 0.896 5.366 4.470 -0.001 0.000 0.300 579 S C -0.909 173.680 174.600 -0.018 0.000 1.087 579 S CA -0.856 57.375 58.200 0.051 0.000 0.965 579 S CB 2.112 65.359 63.200 0.080 0.000 1.089 579 S HN 0.451 nan 8.310 nan 0.000 0.496 580 V N 1.796 121.661 119.914 -0.082 0.000 2.555 580 V HA 0.808 4.927 4.120 -0.001 0.000 0.302 580 V C 0.074 176.081 176.094 -0.145 0.000 1.038 580 V CA -0.483 61.689 62.300 -0.212 0.000 0.887 580 V CB 1.504 33.015 31.823 -0.521 0.000 0.991 580 V HN 1.201 nan 8.190 nan 0.000 0.434 581 T N -0.435 114.052 114.554 -0.111 0.000 2.906 581 T HA 0.664 5.013 4.350 -0.001 0.000 0.295 581 T C -0.821 173.855 174.700 -0.040 0.000 1.075 581 T CA -0.897 61.158 62.100 -0.074 0.000 1.005 581 T CB 2.135 70.952 68.868 -0.085 0.000 1.136 581 T HN 0.709 nan 8.240 nan 0.000 0.498 582 D N 0.570 120.920 120.400 -0.085 0.000 2.511 582 D HA 0.240 4.880 4.640 -0.001 0.000 0.276 582 D C 0.805 176.959 176.300 -0.243 0.000 1.220 582 D CA -1.189 52.645 54.000 -0.276 0.000 1.077 582 D CB 0.220 40.866 40.800 -0.258 0.000 1.126 582 D HN 0.340 nan 8.370 nan 0.000 0.583 583 L N -0.798 120.266 121.223 -0.265 0.000 2.627 583 L HA 0.315 4.655 4.340 -0.001 0.000 0.233 583 L C 1.449 178.240 176.870 -0.131 0.000 1.144 583 L CA 0.520 55.249 54.840 -0.184 0.000 0.892 583 L CB -0.888 41.072 42.059 -0.165 0.000 1.039 583 L HN 0.616 nan 8.230 nan 0.000 0.442 584 A N -1.152 121.597 122.820 -0.118 0.000 2.465 584 A HA 0.209 4.528 4.320 -0.001 0.000 0.255 584 A C 1.141 178.679 177.584 -0.077 0.000 1.274 584 A CA 0.286 52.271 52.037 -0.085 0.000 0.920 584 A CB -0.418 18.538 19.000 -0.073 0.000 1.033 584 A HN 0.444 nan 8.150 nan 0.000 0.516 585 N N 0.038 118.684 118.700 -0.090 0.000 2.800 585 N HA -0.141 4.599 4.740 -0.001 0.000 0.250 585 N C -0.977 174.488 175.510 -0.074 0.000 1.078 585 N CA 0.875 53.878 53.050 -0.077 0.000 0.804 585 N CB -1.775 36.677 38.487 -0.058 0.000 1.135 585 N HN 0.557 nan 8.380 nan 0.000 0.565 586 N N 1.016 119.668 118.700 -0.080 0.000 2.497 586 N HA 0.253 4.993 4.740 -0.001 0.000 0.271 586 N C -2.505 172.937 175.510 -0.112 0.000 1.142 586 N CA -0.817 52.182 53.050 -0.085 0.000 0.965 586 N CB 0.622 39.068 38.487 -0.068 0.000 1.077 586 N HN 0.219 nan 8.380 nan 0.000 0.462 587 P HA 0.060 nan 4.420 nan 0.000 0.268 587 P C -0.497 176.664 177.300 -0.233 0.000 1.205 587 P CA -0.032 62.882 63.100 -0.309 0.000 0.771 587 P CB 0.716 31.921 31.700 -0.824 0.000 0.858 588 V N 2.775 122.601 119.914 -0.146 0.000 2.487 588 V HA 0.196 4.315 4.120 -0.001 0.000 0.298 588 V C 0.378 176.467 176.094 -0.009 0.000 1.028 588 V CA -0.773 61.501 62.300 -0.043 0.000 0.860 588 V CB 1.462 33.275 31.823 -0.017 0.000 0.991 588 V HN 0.532 nan 8.190 nan 0.000 0.427 589 E N 2.858 123.090 120.200 0.054 0.000 2.415 589 E HA 0.430 4.779 4.350 -0.001 0.000 0.263 589 E C -0.205 176.466 176.600 0.118 0.000 0.995 589 E CA 0.130 56.595 56.400 0.108 0.000 0.915 589 E CB 0.920 30.686 29.700 0.110 0.000 0.951 589 E HN 0.860 nan 8.360 nan 0.000 0.449 590 A N 4.327 127.207 122.820 0.100 0.000 2.527 590 A HA 0.462 4.781 4.320 -0.001 0.000 0.293 590 A C -1.228 176.376 177.584 0.033 0.000 1.117 590 A CA -0.682 51.423 52.037 0.113 0.000 0.723 590 A CB 2.006 21.065 19.000 0.098 0.000 1.313 590 A HN 0.647 nan 8.150 nan 0.000 0.411 591 Q N 0.609 120.432 119.800 0.039 0.000 2.331 591 Q HA 0.648 4.988 4.340 -0.001 0.000 0.272 591 Q C -2.132 173.856 176.000 -0.021 0.000 1.062 591 Q CA -0.537 55.242 55.803 -0.040 0.000 0.806 591 Q CB 2.306 31.059 28.738 0.025 0.000 1.312 591 Q HN 0.583 nan 8.270 nan 0.000 0.431 592 V N 2.447 122.277 119.914 -0.141 0.000 2.513 592 V HA 0.592 4.711 4.120 -0.001 0.000 0.299 592 V C -0.602 175.659 176.094 0.278 0.000 1.035 592 V CA -0.311 62.018 62.300 0.048 0.000 0.889 592 V CB 1.941 33.751 31.823 -0.021 0.000 0.988 592 V HN 0.846 nan 8.190 nan 0.000 0.440 593 S N 5.186 121.092 115.700 0.343 0.000 2.634 593 S HA 0.705 5.174 4.470 -0.001 0.000 0.296 593 S C -2.753 171.944 174.600 0.160 0.000 1.104 593 S CA -1.163 57.234 58.200 0.329 0.000 0.920 593 S CB 2.467 65.802 63.200 0.223 0.000 1.111 593 S HN 0.533 nan 8.310 nan 0.000 0.493 594 P HA 0.305 nan 4.420 nan 0.000 0.276 594 P C -1.200 175.802 177.300 -0.496 0.000 1.261 594 P CA -0.543 62.207 63.100 -0.583 0.000 0.800 594 P CB 0.414 31.370 31.700 -1.240 0.000 1.066 595 V N 1.407 120.946 119.914 -0.625 0.000 2.333 595 V HA 0.216 4.335 4.120 -0.001 0.000 0.274 595 V C -0.663 175.133 176.094 -0.498 0.000 1.028 595 V CA -0.208 61.809 62.300 -0.470 0.000 0.851 595 V CB -0.258 31.193 31.823 -0.620 0.000 1.000 595 V HN 0.512 nan 8.190 nan 0.000 0.456 596 W N 3.523 124.738 121.300 -0.142 0.000 2.433 596 W HA 0.632 5.292 4.660 -0.001 0.000 0.315 596 W C 0.394 176.833 176.519 -0.134 0.000 1.087 596 W CA -0.405 56.839 57.345 -0.168 0.000 1.205 596 W CB 1.854 31.222 29.460 -0.153 0.000 1.288 596 W HN 0.569 nan 8.180 nan 0.000 0.504 597 S N 1.543 117.264 115.700 0.035 0.000 2.526 597 S HA 0.590 5.060 4.470 -0.001 0.000 0.293 597 S C -1.331 173.058 174.600 -0.353 0.000 1.092 597 S CA -0.959 57.198 58.200 -0.072 0.000 0.980 597 S CB 1.094 64.238 63.200 -0.094 0.000 1.048 597 S HN 0.406 nan 8.310 nan 0.000 0.483 598 W N 1.138 122.208 121.300 -0.383 0.000 2.449 598 W HA 0.582 5.242 4.660 -0.001 0.000 0.331 598 W C 0.180 176.280 176.519 -0.699 0.000 1.119 598 W CA -0.089 57.012 57.345 -0.405 0.000 1.240 598 W CB 0.825 30.153 29.460 -0.220 0.000 1.251 598 W HN 0.766 nan 8.180 nan 0.000 0.576 599 H N 0.405 119.486 119.070 0.019 0.000 2.771 599 H HA 0.145 4.701 4.556 -0.001 0.000 0.361 599 H C -0.782 174.582 175.328 0.061 0.000 1.108 599 H CA -0.958 55.080 56.048 -0.017 0.000 1.201 599 H CB 1.535 31.200 29.762 -0.162 0.000 1.681 599 H HN 0.282 nan 8.280 nan 0.000 0.534 600 H N 2.631 121.779 119.070 0.130 0.000 2.911 600 H HA 0.048 4.603 4.556 -0.001 0.000 0.273 600 H C -0.622 174.779 175.328 0.123 0.000 1.157 600 H CA -0.620 55.498 56.048 0.115 0.000 1.402 600 H CB -0.011 29.797 29.762 0.076 0.000 1.463 600 H HN 0.603 nan 8.280 nan 0.000 0.475 601 D N 3.868 124.543 120.400 0.459 0.000 2.359 601 D HA -0.047 4.593 4.640 -0.001 0.000 0.250 601 D C 1.065 177.506 176.300 0.234 0.000 1.264 601 D CA 0.057 54.246 54.000 0.315 0.000 0.911 601 D CB 0.595 41.653 40.800 0.430 0.000 1.056 601 D HN 0.696 nan 8.370 nan 0.000 0.499 602 T N 1.382 115.977 114.554 0.068 0.000 3.098 602 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 602 T C 1.765 176.481 174.700 0.026 0.000 1.145 602 T CA 0.195 62.282 62.100 -0.022 0.000 1.092 602 T CB 0.170 68.986 68.868 -0.087 0.000 0.908 602 T HN 0.276 nan 8.240 nan 0.000 0.526 603 L N 1.984 123.241 121.223 0.056 0.000 2.121 603 L HA 0.099 4.439 4.340 -0.001 0.000 0.200 603 L C 2.996 179.897 176.870 0.051 0.000 1.077 603 L CA 2.121 56.986 54.840 0.042 0.000 0.766 603 L CB -1.610 40.470 42.059 0.035 0.000 0.931 603 L HN 0.535 nan 8.230 nan 0.000 0.452 604 T N -3.874 110.724 114.554 0.072 0.000 3.081 604 T HA -0.007 4.343 4.350 -0.001 0.000 0.255 604 T C 0.766 175.518 174.700 0.086 0.000 1.113 604 T CA -0.130 62.002 62.100 0.054 0.000 1.082 604 T CB 0.106 68.982 68.868 0.014 0.000 0.939 604 T HN 0.106 nan 8.240 nan 0.000 0.506 605 K N 1.991 122.477 120.400 0.142 0.000 3.125 605 K HA -0.123 4.197 4.320 -0.001 0.000 0.268 605 K C 0.077 176.783 176.600 0.176 0.000 1.078 605 K CA 1.236 57.639 56.287 0.193 0.000 0.775 605 K CB -2.887 29.688 32.500 0.126 0.000 1.253 605 K HN 0.870 nan 8.250 nan 0.000 0.486 606 T N -2.736 111.939 114.554 0.203 0.000 2.906 606 T HA 0.808 5.158 4.350 -0.001 0.000 0.295 606 T C 0.257 175.093 174.700 0.227 0.000 1.075 606 T CA -1.042 61.155 62.100 0.162 0.000 1.005 606 T CB 2.288 71.234 68.868 0.131 0.000 1.136 606 T HN 0.141 nan 8.240 nan 0.000 0.498 607 I N 3.028 123.696 120.570 0.163 0.000 2.354 607 I HA 0.504 4.674 4.170 -0.001 0.000 0.286 607 I C -0.304 176.067 176.117 0.424 0.000 1.007 607 I CA -0.653 60.761 61.300 0.190 0.000 1.167 607 I CB 0.618 38.632 38.000 0.024 0.000 1.320 607 I HN 0.936 nan 8.210 nan 0.000 0.458 608 H N 6.027 125.236 119.070 0.233 0.000 3.016 608 H HA 0.667 5.223 4.556 -0.001 0.000 0.362 608 H C -3.171 171.925 175.328 -0.386 0.000 1.233 608 H CA -2.319 53.705 56.048 -0.041 0.000 1.124 608 H CB 1.935 31.686 29.762 -0.018 0.000 1.850 608 H HN 0.141 nan 8.280 nan 0.000 0.549 609 P HA 0.208 nan 4.420 nan 0.000 0.290 609 P C -1.096 176.111 177.300 -0.155 0.000 1.275 609 P CA -0.646 61.906 63.100 -0.914 0.000 0.841 609 P CB 1.866 32.696 31.700 -1.450 0.000 1.042 610 Q N 0.940 120.759 119.800 0.032 0.000 2.353 610 Q HA 0.550 4.889 4.340 -0.001 0.000 0.268 610 Q C 0.084 176.141 176.000 0.096 0.000 1.045 610 Q CA -0.618 55.279 55.803 0.157 0.000 0.811 610 Q CB 2.917 31.733 28.738 0.130 0.000 1.305 610 Q HN 0.588 nan 8.270 nan 0.000 0.447 611 G N 0.803 109.525 108.800 -0.130 0.000 2.348 611 G HA2 0.309 4.269 3.960 -0.001 0.000 0.312 611 G HA3 0.309 4.269 3.960 -0.001 0.000 0.312 611 G C -0.199 174.428 174.900 -0.455 0.000 1.126 611 G CA -0.301 44.371 45.100 -0.712 0.000 0.865 611 G HN 0.429 nan 8.290 nan 0.000 0.474 612 S N -0.067 115.324 115.700 -0.515 0.000 2.572 612 S HA 0.268 4.737 4.470 -0.001 0.000 0.279 612 S C 1.622 175.971 174.600 -0.418 0.000 1.341 612 S CA 0.374 58.319 58.200 -0.424 0.000 1.043 612 S CB 0.709 63.599 63.200 -0.516 0.000 0.887 612 S HN 0.881 nan 8.310 nan 0.000 0.516 613 T N -0.243 114.143 114.554 -0.280 0.000 3.023 613 T HA 0.109 4.458 4.350 -0.001 0.000 0.253 613 T C 1.280 175.887 174.700 -0.155 0.000 1.038 613 T CA 0.511 62.514 62.100 -0.163 0.000 0.962 613 T CB -0.227 68.598 68.868 -0.072 0.000 1.018 613 T HN 0.697 nan 8.240 nan 0.000 0.521 614 T N -0.641 113.751 114.554 -0.271 0.000 3.010 614 T HA 0.335 4.685 4.350 -0.001 0.000 0.257 614 T C 0.281 174.782 174.700 -0.330 0.000 1.020 614 T CA -0.479 61.502 62.100 -0.199 0.000 0.938 614 T CB -0.070 68.722 68.868 -0.126 0.000 1.049 614 T HN 0.686 nan 8.240 nan 0.000 0.522 615 K N -0.294 119.667 120.400 -0.732 0.000 2.551 615 K HA 0.604 4.923 4.320 -0.001 0.000 0.269 615 K C -2.127 173.723 176.600 -1.249 0.000 0.949 615 K CA -1.037 54.806 56.287 -0.739 0.000 0.849 615 K CB 1.473 33.730 32.500 -0.405 0.000 1.411 615 K HN 0.108 nan 8.250 nan 0.000 0.432 616 Y N -0.247 119.979 120.300 -0.122 0.000 2.609 616 Y HA 0.501 5.050 4.550 -0.001 0.000 0.342 616 Y C -0.432 175.494 175.900 0.042 0.000 1.058 616 Y CA -1.194 56.863 58.100 -0.071 0.000 1.055 616 Y CB 2.127 40.610 38.460 0.039 0.000 1.292 616 Y HN 0.356 nan 8.280 nan 0.000 0.476 617 R N 1.536 122.183 120.500 0.244 0.000 2.294 617 R HA 0.574 4.914 4.340 -0.001 0.000 0.319 617 R C -1.282 175.191 176.300 0.289 0.000 0.984 617 R CA -0.623 55.661 56.100 0.306 0.000 0.861 617 R CB 1.616 32.070 30.300 0.256 0.000 1.104 617 R HN 0.654 nan 8.270 nan 0.000 0.451 618 I N 4.395 125.157 120.570 0.319 0.000 2.377 618 I HA 0.420 4.589 4.170 -0.001 0.000 0.293 618 I C -1.035 175.269 176.117 0.312 0.000 0.987 618 I CA -0.726 60.751 61.300 0.296 0.000 1.185 618 I CB 0.980 39.167 38.000 0.311 0.000 1.341 618 I HN 0.539 nan 8.210 nan 0.000 0.455 619 I N 8.124 128.846 120.570 0.252 0.000 2.545 619 I HA 0.542 4.711 4.170 -0.001 0.000 0.292 619 I C -0.981 175.287 176.117 0.252 0.000 1.040 619 I CA -0.508 60.889 61.300 0.160 0.000 1.068 619 I CB 1.736 39.789 38.000 0.088 0.000 1.251 619 I HN 0.526 nan 8.210 nan 0.000 0.424 620 F N 2.362 122.331 119.950 0.032 0.000 2.713 620 F HA 0.550 5.077 4.527 -0.001 0.000 0.311 620 F C -1.081 174.697 175.800 -0.037 0.000 1.141 620 F CA -1.287 56.711 58.000 -0.004 0.000 0.939 620 F CB 1.287 40.271 39.000 -0.027 0.000 1.325 620 F HN 0.204 nan 8.300 nan 0.000 0.453 621 K N 1.941 122.430 120.400 0.148 0.000 2.285 621 K HA 0.730 5.050 4.320 -0.001 0.000 0.286 621 K C -0.657 175.992 176.600 0.082 0.000 1.072 621 K CA -0.313 56.001 56.287 0.045 0.000 0.913 621 K CB 0.821 33.379 32.500 0.097 0.000 1.067 621 K HN 0.919 nan 8.250 nan 0.000 0.479 622 A N 4.631 127.409 122.820 -0.070 0.000 2.306 622 A HA 0.434 4.753 4.320 -0.001 0.000 0.314 622 A C -0.671 177.044 177.584 0.219 0.000 1.164 622 A CA -0.703 51.354 52.037 0.034 0.000 0.822 622 A CB 0.720 19.692 19.000 -0.046 0.000 1.130 622 A HN 0.876 nan 8.150 nan 0.000 0.496 623 R N 1.939 122.683 120.500 0.407 0.000 2.439 623 R HA 0.614 4.953 4.340 -0.001 0.000 0.310 623 R C -1.898 174.665 176.300 0.437 0.000 0.955 623 R CA -0.245 56.082 56.100 0.378 0.000 0.853 623 R CB 1.401 31.906 30.300 0.342 0.000 1.171 623 R HN 0.506 nan 8.270 nan 0.000 0.449 624 V N 5.875 126.002 119.914 0.354 0.000 2.656 624 V HA 0.478 4.597 4.120 -0.001 0.000 0.307 624 V C -2.296 173.693 176.094 -0.176 0.000 1.051 624 V CA -2.365 60.037 62.300 0.170 0.000 0.893 624 V CB 1.972 33.860 31.823 0.109 0.000 0.999 624 V HN 0.787 nan 8.190 nan 0.000 0.426 625 P HA 0.224 nan 4.420 nan 0.000 0.271 625 P C -2.737 174.063 177.300 -0.833 0.000 1.233 625 P CA -1.318 60.867 63.100 -1.525 0.000 0.789 625 P CB -0.231 30.776 31.700 -1.156 0.000 0.951 626 P HA 0.065 nan 4.420 nan 0.000 0.265 626 P C 0.159 177.398 177.300 -0.103 0.000 1.193 626 P CA 0.563 63.459 63.100 -0.340 0.000 0.765 626 P CB -0.206 31.367 31.700 -0.212 0.000 0.823 627 M N 0.161 119.755 119.600 -0.009 0.000 2.210 627 M HA -0.227 4.253 4.480 -0.001 0.000 0.198 627 M C 0.613 177.094 176.300 0.302 0.000 0.319 627 M CA 0.995 56.433 55.300 0.229 0.000 0.399 627 M CB -2.036 30.794 32.600 0.382 0.000 1.227 627 M HN 0.597 nan 8.290 nan 0.000 0.931 628 G N -0.295 108.537 108.800 0.053 0.000 3.086 628 G HA2 0.940 4.900 3.960 -0.001 0.000 0.282 628 G HA3 0.940 4.900 3.960 -0.001 0.000 0.282 628 G C -1.275 173.738 174.900 0.188 0.000 1.343 628 G CA -0.975 44.119 45.100 -0.010 0.000 0.895 628 G HN 0.195 nan 8.290 nan 0.000 0.557 629 L N -0.740 120.572 121.223 0.148 0.000 2.376 629 L HA 0.823 5.163 4.340 -0.001 0.000 0.258 629 L C -0.361 176.598 176.870 0.148 0.000 1.013 629 L CA -1.099 53.869 54.840 0.214 0.000 0.822 629 L CB 2.505 44.703 42.059 0.233 0.000 1.388 629 L HN 0.790 nan 8.230 nan 0.000 0.413 630 A N 0.427 123.378 122.820 0.218 0.000 2.459 630 A HA 0.767 5.087 4.320 -0.001 0.000 0.296 630 A C -0.864 176.868 177.584 0.247 0.000 1.039 630 A CA -0.433 51.715 52.037 0.187 0.000 0.698 630 A CB 1.699 20.861 19.000 0.270 0.000 1.261 630 A HN 0.549 nan 8.150 nan 0.000 0.405 631 T N 2.196 116.799 114.554 0.081 0.000 2.829 631 T HA 0.654 5.003 4.350 -0.001 0.000 0.282 631 T C -0.959 173.661 174.700 -0.134 0.000 0.990 631 T CA 0.232 62.427 62.100 0.159 0.000 1.028 631 T CB 0.371 69.335 68.868 0.161 0.000 0.951 631 T HN 0.441 nan 8.240 nan 0.000 0.460 632 Y N 0.330 120.716 120.300 0.144 0.000 2.633 632 Y HA 0.687 5.237 4.550 -0.001 0.000 0.339 632 Y C -0.307 175.517 175.900 -0.126 0.000 1.045 632 Y CA -1.149 56.947 58.100 -0.006 0.000 1.098 632 Y CB 1.712 40.176 38.460 0.007 0.000 1.296 632 Y HN 0.313 nan 8.280 nan 0.000 0.494 633 V N 2.880 122.755 119.914 -0.065 0.000 2.638 633 V HA 0.434 4.553 4.120 -0.001 0.000 0.306 633 V C -0.869 175.166 176.094 -0.098 0.000 1.052 633 V CA -0.964 61.234 62.300 -0.171 0.000 0.885 633 V CB 1.876 33.522 31.823 -0.296 0.000 0.999 633 V HN 0.488 nan 8.190 nan 0.000 0.424 634 L N 3.807 125.001 121.223 -0.048 0.000 2.296 634 L HA 0.697 5.037 4.340 -0.001 0.000 0.286 634 L C -0.148 176.738 176.870 0.027 0.000 1.023 634 L CA -0.133 54.694 54.840 -0.020 0.000 0.812 634 L CB 1.903 43.966 42.059 0.007 0.000 1.223 634 L HN 0.611 nan 8.230 nan 0.000 0.421 635 T N 3.696 118.270 114.554 0.034 0.000 2.861 635 T HA 0.459 4.809 4.350 -0.001 0.000 0.287 635 T C -0.284 174.464 174.700 0.081 0.000 1.003 635 T CA -0.381 61.753 62.100 0.056 0.000 0.977 635 T CB 2.372 71.263 68.868 0.037 0.000 0.996 635 T HN 0.386 nan 8.240 nan 0.000 0.448 636 I N 3.092 123.719 120.570 0.094 0.000 2.662 636 I HA 0.562 4.732 4.170 -0.001 0.000 0.291 636 I C 0.250 176.431 176.117 0.106 0.000 1.046 636 I CA 0.136 61.508 61.300 0.119 0.000 1.361 636 I CB 0.764 38.838 38.000 0.122 0.000 1.429 636 I HN 0.816 nan 8.210 nan 0.000 0.558 637 S N 2.355 118.133 115.700 0.130 0.000 2.661 637 S HA 0.349 4.818 4.470 -0.001 0.000 0.285 637 S C -0.052 174.569 174.600 0.035 0.000 1.138 637 S CA -0.273 57.969 58.200 0.070 0.000 0.855 637 S CB 1.546 64.778 63.200 0.053 0.000 1.136 637 S HN 0.750 nan 8.310 nan 0.000 0.484 638 D N 0.262 120.628 120.400 -0.056 0.000 2.323 638 D HA 0.142 4.782 4.640 -0.001 0.000 0.209 638 D C 0.916 176.955 176.300 -0.434 0.000 0.973 638 D CA 0.734 54.651 54.000 -0.139 0.000 0.874 638 D CB 0.015 40.754 40.800 -0.102 0.000 0.930 638 D HN 0.645 nan 8.370 nan 0.000 0.521 639 S N -1.600 113.812 115.700 -0.481 0.000 2.794 639 S HA 0.378 4.848 4.470 -0.001 0.000 0.299 639 S C -0.713 173.581 174.600 -0.510 0.000 1.179 639 S CA -1.313 56.397 58.200 -0.817 0.000 0.838 639 S CB 1.001 63.935 63.200 -0.443 0.000 1.206 639 S HN -0.037 nan 8.310 nan 0.000 0.523 640 K N 2.423 122.623 120.400 -0.333 0.000 2.466 640 K HA 0.169 4.488 4.320 -0.001 0.000 0.278 640 K C -2.225 174.435 176.600 0.100 0.000 1.048 640 K CA -0.578 55.778 56.287 0.115 0.000 1.088 640 K CB -0.412 32.164 32.500 0.126 0.000 0.884 640 K HN 0.424 nan 8.250 nan 0.000 0.478 641 P HA 0.011 nan 4.420 nan 0.000 0.277 641 P C 0.319 177.647 177.300 0.047 0.000 1.240 641 P CA -0.241 62.919 63.100 0.099 0.000 0.798 641 P CB 0.985 32.764 31.700 0.131 0.000 0.979 642 E N 1.303 121.482 120.200 -0.035 0.000 2.171 642 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 642 E C 0.545 176.932 176.600 -0.355 0.000 0.997 642 E CA 1.203 57.480 56.400 -0.206 0.000 0.810 642 E CB -0.041 29.471 29.700 -0.312 0.000 0.738 642 E HN 0.471 nan 8.360 nan 0.000 0.467 643 H N -0.795 118.291 119.070 0.027 0.000 2.505 643 H HA 0.219 4.774 4.556 -0.001 0.000 0.286 643 H C -0.393 174.934 175.328 -0.002 0.000 1.072 643 H CA 0.170 56.227 56.048 0.015 0.000 1.141 643 H CB 0.791 30.560 29.762 0.011 0.000 1.550 643 H HN -0.050 nan 8.280 nan 0.000 0.547 644 T N 1.647 116.227 114.554 0.044 0.000 2.792 644 T HA 0.318 4.667 4.350 -0.001 0.000 0.280 644 T C 0.376 174.963 174.700 -0.189 0.000 0.990 644 T CA -0.664 61.396 62.100 -0.067 0.000 0.960 644 T CB 2.048 70.874 68.868 -0.069 0.000 0.939 644 T HN 0.265 nan 8.240 nan 0.000 0.439 645 S N 2.416 117.956 115.700 -0.267 0.000 2.718 645 S HA 0.772 5.242 4.470 -0.001 0.000 0.300 645 S C -1.359 172.865 174.600 -0.627 0.000 1.117 645 S CA -0.822 57.228 58.200 -0.251 0.000 1.002 645 S CB 0.851 64.016 63.200 -0.058 0.000 1.092 645 S HN 0.572 nan 8.310 nan 0.000 0.542 646 Y N -0.003 120.298 120.300 0.003 0.000 2.376 646 Y HA 0.641 5.190 4.550 -0.001 0.000 0.340 646 Y C 0.579 176.529 175.900 0.084 0.000 0.965 646 Y CA -0.771 57.313 58.100 -0.026 0.000 1.078 646 Y CB 1.671 39.984 38.460 -0.245 0.000 1.193 646 Y HN 1.034 nan 8.280 nan 0.000 0.452 647 A N 2.122 125.119 122.820 0.295 0.000 2.445 647 A HA 0.468 4.787 4.320 -0.001 0.000 0.242 647 A C 0.300 178.087 177.584 0.337 0.000 1.075 647 A CA -0.233 51.974 52.037 0.285 0.000 0.777 647 A CB -0.094 19.075 19.000 0.282 0.000 1.013 647 A HN 0.759 nan 8.150 nan 0.000 0.493 648 S N 2.174 118.005 115.700 0.219 0.000 2.646 648 S HA 0.577 5.046 4.470 -0.001 0.000 0.276 648 S C -0.346 174.351 174.600 0.160 0.000 1.222 648 S CA -0.914 57.403 58.200 0.195 0.000 1.014 648 S CB 0.858 64.128 63.200 0.118 0.000 0.991 648 S HN 0.708 nan 8.310 nan 0.000 0.533 649 N N 0.319 119.091 118.700 0.120 0.000 2.235 649 N HA 0.523 5.263 4.740 -0.001 0.000 0.293 649 N C -1.987 173.465 175.510 -0.097 0.000 1.083 649 N CA -0.546 52.525 53.050 0.035 0.000 0.801 649 N CB 2.081 40.661 38.487 0.155 0.000 1.559 649 N HN 0.586 nan 8.380 nan 0.000 0.472 650 L N 2.280 123.399 121.223 -0.173 0.000 2.406 650 L HA 0.482 4.821 4.340 -0.001 0.000 0.272 650 L C -1.582 175.123 176.870 -0.276 0.000 0.980 650 L CA -0.565 54.140 54.840 -0.225 0.000 0.831 650 L CB 1.576 43.561 42.059 -0.123 0.000 1.253 650 L HN 0.424 nan 8.230 nan 0.000 0.406 651 L N 6.671 127.676 121.223 -0.363 0.000 2.265 651 L HA 0.475 4.815 4.340 -0.001 0.000 0.289 651 L C -1.251 175.581 176.870 -0.064 0.000 1.033 651 L CA -0.383 54.311 54.840 -0.244 0.000 0.814 651 L CB 1.218 43.128 42.059 -0.248 0.000 1.203 651 L HN 0.685 nan 8.230 nan 0.000 0.423 652 L N 7.285 128.493 121.223 -0.025 0.000 2.262 652 L HA 0.576 4.915 4.340 -0.001 0.000 0.288 652 L C -0.089 176.815 176.870 0.057 0.000 1.035 652 L CA -0.462 54.395 54.840 0.027 0.000 0.820 652 L CB 0.939 43.006 42.059 0.013 0.000 1.204 652 L HN 0.654 nan 8.230 nan 0.000 0.424 653 R N 1.829 122.376 120.500 0.079 0.000 2.739 653 R HA 0.455 4.795 4.340 -0.001 0.000 0.266 653 R C -1.618 174.718 176.300 0.060 0.000 1.044 653 R CA -1.142 54.999 56.100 0.069 0.000 0.885 653 R CB 1.282 31.626 30.300 0.072 0.000 1.260 653 R HN 0.103 nan 8.270 nan 0.000 0.477 654 K N 1.527 121.951 120.400 0.040 0.000 2.154 654 K HA 0.120 4.440 4.320 -0.001 0.000 0.264 654 K C -0.083 176.521 176.600 0.007 0.000 1.008 654 K CA -0.341 55.961 56.287 0.025 0.000 0.937 654 K CB 0.508 33.020 32.500 0.020 0.000 1.002 654 K HN 0.832 nan 8.250 nan 0.000 0.469 655 N N 0.788 119.481 118.700 -0.010 0.000 2.746 655 N HA -0.115 4.625 4.740 -0.001 0.000 0.250 655 N C -2.579 172.891 175.510 -0.067 0.000 1.055 655 N CA 0.150 53.177 53.050 -0.039 0.000 0.699 655 N CB -0.693 37.773 38.487 -0.035 0.000 0.919 655 N HN 0.393 nan 8.380 nan 0.000 0.548 656 P HA 0.336 nan 4.420 nan 0.000 0.276 656 P C -0.385 176.745 177.300 -0.283 0.000 1.252 656 P CA -0.127 62.883 63.100 -0.149 0.000 0.802 656 P CB 1.093 32.707 31.700 -0.144 0.000 1.035 657 T N -2.999 111.376 114.554 -0.298 0.000 2.916 657 T HA 0.473 4.823 4.350 -0.001 0.000 0.292 657 T C 0.204 174.699 174.700 -0.342 0.000 1.055 657 T CA -0.753 61.178 62.100 -0.283 0.000 1.009 657 T CB 0.667 69.449 68.868 -0.143 0.000 1.118 657 T HN 0.483 nan 8.240 nan 0.000 0.497 658 S N 1.205 116.751 115.700 -0.256 0.000 2.559 658 S HA 0.324 4.794 4.470 -0.001 0.000 0.282 658 S C -0.120 174.575 174.600 0.159 0.000 1.336 658 S CA -0.672 57.491 58.200 -0.063 0.000 1.037 658 S CB -0.375 62.815 63.200 -0.016 0.000 0.853 658 S HN 0.707 nan 8.310 nan 0.000 0.523 659 L N 2.627 124.054 121.223 0.340 0.000 2.481 659 L HA 0.378 4.718 4.340 -0.001 0.000 0.255 659 L C -2.268 174.712 176.870 0.184 0.000 1.192 659 L CA -1.673 53.336 54.840 0.282 0.000 0.924 659 L CB 1.674 43.983 42.059 0.417 0.000 1.179 659 L HN 0.607 nan 8.230 nan 0.000 0.491 660 P HA 0.129 nan 4.420 nan 0.000 0.271 660 P C -0.161 177.138 177.300 -0.001 0.000 1.216 660 P CA -0.113 63.025 63.100 0.064 0.000 0.776 660 P CB 1.666 33.393 31.700 0.045 0.000 0.881 661 L N 1.665 122.895 121.223 0.013 0.000 3.255 661 L HA 0.280 4.620 4.340 -0.001 0.000 0.293 661 L C 1.525 178.459 176.870 0.107 0.000 1.302 661 L CA -0.161 54.660 54.840 -0.033 0.000 0.977 661 L CB -0.004 41.999 42.059 -0.092 0.000 1.390 661 L HN 0.719 nan 8.230 nan 0.000 0.588 662 G N 0.970 109.817 108.800 0.079 0.000 2.629 662 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.313 662 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.313 662 G C 0.640 175.619 174.900 0.131 0.000 1.217 662 G CA 0.766 45.936 45.100 0.117 0.000 0.994 662 G HN 0.464 nan 8.290 nan 0.000 0.549 663 Q N -0.471 119.414 119.800 0.142 0.000 2.472 663 Q HA 0.160 4.499 4.340 -0.001 0.000 0.208 663 Q C 0.809 176.696 176.000 -0.188 0.000 0.958 663 Q CA 0.146 55.932 55.803 -0.028 0.000 0.932 663 Q CB 0.258 28.913 28.738 -0.138 0.000 1.007 663 Q HN 0.505 nan 8.270 nan 0.000 0.508 664 Y N 3.962 124.109 120.300 -0.254 0.000 2.881 664 Y HA -0.078 4.472 4.550 -0.001 0.000 0.335 664 Y C -1.244 174.527 175.900 -0.215 0.000 1.263 664 Y CA -1.279 56.643 58.100 -0.297 0.000 1.572 664 Y CB 0.782 39.215 38.460 -0.045 0.000 1.237 664 Y HN 0.070 nan 8.280 nan 0.000 0.568 665 P HA -0.105 nan 4.420 nan 0.000 0.230 665 P C -0.455 176.708 177.300 -0.230 0.000 1.158 665 P CA 1.114 63.962 63.100 -0.420 0.000 0.769 665 P CB 0.515 31.841 31.700 -0.624 0.000 0.807 666 E N 0.920 121.034 120.200 -0.144 0.000 2.171 666 E HA 0.201 4.550 4.350 -0.001 0.000 0.271 666 E C -0.513 176.227 176.600 0.235 0.000 0.916 666 E CA -0.559 55.892 56.400 0.086 0.000 0.774 666 E CB 1.518 31.326 29.700 0.181 0.000 1.128 666 E HN 0.082 nan 8.360 nan 0.000 0.403 667 D N 1.519 122.011 120.400 0.153 0.000 2.345 667 D HA 0.115 4.754 4.640 -0.001 0.000 0.247 667 D C 0.196 176.576 176.300 0.133 0.000 1.108 667 D CA -0.268 53.825 54.000 0.156 0.000 0.894 667 D CB 1.499 42.376 40.800 0.128 0.000 1.203 667 D HN 0.057 nan 8.370 nan 0.000 0.430 668 V N 3.059 123.039 119.914 0.111 0.000 2.740 668 V HA 0.002 4.122 4.120 -0.001 0.000 0.303 668 V C 0.782 176.748 176.094 -0.214 0.000 1.054 668 V CA 0.093 62.361 62.300 -0.053 0.000 1.106 668 V CB 0.589 32.356 31.823 -0.093 0.000 0.957 668 V HN 0.319 nan 8.190 nan 0.000 0.486 669 K N 2.972 123.166 120.400 -0.344 0.000 2.166 669 K HA 0.682 5.001 4.320 -0.001 0.000 0.245 669 K C -0.960 175.257 176.600 -0.639 0.000 0.967 669 K CA -0.398 55.729 56.287 -0.267 0.000 0.863 669 K CB 1.734 34.183 32.500 -0.084 0.000 1.107 669 K HN 0.416 nan 8.250 nan 0.000 0.436 670 F N -1.040 118.923 119.950 0.021 0.000 2.611 670 F HA 0.729 5.255 4.527 -0.001 0.000 0.324 670 F C 0.623 176.428 175.800 0.008 0.000 1.061 670 F CA -0.637 57.367 58.000 0.007 0.000 0.954 670 F CB 2.664 41.668 39.000 0.006 0.000 1.301 670 F HN 0.589 nan 8.300 nan 0.000 0.482 671 G N 0.191 109.096 108.800 0.175 0.000 2.523 671 G HA2 0.395 4.354 3.960 -0.001 0.000 0.291 671 G HA3 0.395 4.354 3.960 -0.001 0.000 0.291 671 G C -2.237 172.713 174.900 0.084 0.000 1.450 671 G CA -0.872 44.290 45.100 0.104 0.000 0.790 671 G HN 0.366 nan 8.290 nan 0.000 0.496 672 D N 0.718 121.156 120.400 0.063 0.000 2.362 672 D HA 0.421 5.060 4.640 -0.001 0.000 0.242 672 D C -2.001 174.327 176.300 0.046 0.000 1.132 672 D CA -0.711 53.320 54.000 0.051 0.000 0.907 672 D CB 0.997 41.821 40.800 0.041 0.000 1.195 672 D HN 0.013 nan 8.370 nan 0.000 0.429 673 P HA 0.068 nan 4.420 nan 0.000 0.264 673 P C -0.435 176.891 177.300 0.044 0.000 1.183 673 P CA 0.436 63.564 63.100 0.046 0.000 0.763 673 P CB 0.416 32.145 31.700 0.048 0.000 0.807 674 R N 0.507 121.035 120.500 0.046 0.000 2.712 674 R HA 0.432 4.771 4.340 -0.001 0.000 0.272 674 R C -1.166 175.170 176.300 0.060 0.000 1.032 674 R CA -1.028 55.100 56.100 0.046 0.000 0.874 674 R CB 1.136 31.460 30.300 0.039 0.000 1.256 674 R HN 0.225 nan 8.270 nan 0.000 0.468 675 E N 1.434 121.670 120.200 0.060 0.000 2.383 675 E HA 0.319 4.668 4.350 -0.001 0.000 0.264 675 E C -0.040 176.614 176.600 0.090 0.000 1.050 675 E CA -0.230 56.220 56.400 0.083 0.000 0.896 675 E CB 1.022 30.755 29.700 0.054 0.000 0.982 675 E HN 0.447 nan 8.360 nan 0.000 0.424 676 I N -2.281 118.377 120.570 0.146 0.000 3.095 676 I HA 0.570 4.740 4.170 -0.001 0.000 0.310 676 I C -0.672 175.587 176.117 0.236 0.000 1.196 676 I CA -0.817 60.569 61.300 0.144 0.000 0.985 676 I CB 2.464 40.524 38.000 0.101 0.000 1.250 676 I HN 0.134 nan 8.210 nan 0.000 0.446 677 S N 2.969 118.782 115.700 0.188 0.000 2.548 677 S HA 0.847 5.316 4.470 -0.001 0.000 0.286 677 S C -0.868 173.851 174.600 0.200 0.000 1.098 677 S CA -0.628 57.699 58.200 0.212 0.000 0.930 677 S CB 1.752 65.025 63.200 0.121 0.000 1.070 677 S HN 0.531 nan 8.310 nan 0.000 0.480 678 L N 1.920 123.289 121.223 0.243 0.000 2.424 678 L HA 0.684 5.024 4.340 -0.001 0.000 0.258 678 L C -0.549 176.417 176.870 0.159 0.000 0.995 678 L CA -0.709 54.242 54.840 0.184 0.000 0.821 678 L CB 2.383 44.559 42.059 0.195 0.000 1.383 678 L HN 0.526 nan 8.230 nan 0.000 0.410 679 R N 1.563 122.132 120.500 0.115 0.000 2.515 679 R HA 0.649 4.989 4.340 -0.001 0.000 0.291 679 R C -2.059 174.287 176.300 0.078 0.000 1.046 679 R CA -0.449 55.706 56.100 0.093 0.000 0.914 679 R CB 2.156 32.502 30.300 0.076 0.000 1.191 679 R HN 0.409 nan 8.270 nan 0.000 0.435 680 V N 4.740 124.698 119.914 0.074 0.000 2.435 680 V HA 0.582 4.701 4.120 -0.001 0.000 0.290 680 V C 1.112 177.237 176.094 0.053 0.000 1.030 680 V CA 0.668 63.007 62.300 0.064 0.000 0.881 680 V CB 1.121 32.984 31.823 0.066 0.000 0.983 680 V HN 1.111 nan 8.190 nan 0.000 0.445 681 G N 5.110 113.939 108.800 0.049 0.000 2.596 681 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.295 681 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.295 681 G C 0.545 175.467 174.900 0.036 0.000 1.240 681 G CA 0.629 45.754 45.100 0.041 0.000 0.985 681 G HN 0.681 nan 8.290 nan 0.000 0.555 682 N N 2.217 120.935 118.700 0.030 0.000 2.280 682 N HA 0.205 4.945 4.740 -0.001 0.000 0.192 682 N C 1.442 176.964 175.510 0.020 0.000 1.109 682 N CA 1.029 54.092 53.050 0.022 0.000 0.855 682 N CB 0.076 38.574 38.487 0.017 0.000 0.974 682 N HN 0.867 nan 8.380 nan 0.000 0.482 683 G N 2.273 111.089 108.800 0.027 0.000 2.593 683 G HA2 0.074 4.034 3.960 -0.001 0.000 0.279 683 G HA3 0.074 4.034 3.960 -0.001 0.000 0.279 683 G C -2.171 172.742 174.900 0.022 0.000 1.329 683 G CA -0.495 44.620 45.100 0.026 0.000 1.036 683 G HN 0.045 nan 8.290 nan 0.000 0.555 684 P HA 0.175 nan 4.420 nan 0.000 0.272 684 P C -0.479 176.843 177.300 0.035 0.000 1.240 684 P CA 0.056 63.163 63.100 0.012 0.000 0.791 684 P CB 0.776 32.479 31.700 0.006 0.000 0.978 685 T N 2.025 116.597 114.554 0.031 0.000 2.779 685 T HA 0.486 4.836 4.350 -0.001 0.000 0.280 685 T C -0.073 174.667 174.700 0.067 0.000 0.987 685 T CA -0.386 61.757 62.100 0.072 0.000 0.966 685 T CB 0.153 69.074 68.868 0.088 0.000 0.933 685 T HN 0.180 nan 8.240 nan 0.000 0.442 686 L N 2.669 123.939 121.223 0.079 0.000 2.329 686 L HA 0.817 5.157 4.340 -0.001 0.000 0.279 686 L C 0.076 176.903 176.870 -0.072 0.000 1.014 686 L CA -1.165 53.645 54.840 -0.050 0.000 0.814 686 L CB 1.627 43.650 42.059 -0.060 0.000 1.257 686 L HN 0.639 nan 8.230 nan 0.000 0.424 687 A N 3.063 125.731 122.820 -0.254 0.000 2.342 687 A HA 0.869 5.189 4.320 -0.001 0.000 0.323 687 A C -1.243 176.096 177.584 -0.408 0.000 1.125 687 A CA -0.314 51.635 52.037 -0.146 0.000 0.785 687 A CB 0.848 19.799 19.000 -0.082 0.000 1.221 687 A HN 0.491 nan 8.150 nan 0.000 0.463 688 F N 0.900 120.890 119.950 0.066 0.000 2.546 688 F HA 0.567 5.093 4.527 -0.001 0.000 0.320 688 F C 1.067 176.909 175.800 0.070 0.000 1.076 688 F CA -0.377 57.680 58.000 0.094 0.000 0.928 688 F CB 2.154 41.213 39.000 0.098 0.000 1.189 688 F HN 0.650 nan 8.300 nan 0.000 0.465 689 S N 0.062 115.918 115.700 0.260 0.000 2.600 689 S HA 0.120 4.589 4.470 -0.001 0.000 0.265 689 S C 0.958 175.659 174.600 0.168 0.000 1.325 689 S CA -0.168 58.128 58.200 0.161 0.000 1.002 689 S CB 0.753 64.044 63.200 0.151 0.000 0.921 689 S HN 0.840 nan 8.310 nan 0.000 0.554 690 E N 0.016 120.282 120.200 0.110 0.000 2.463 690 E HA -0.191 4.158 4.350 -0.001 0.000 0.201 690 E C 1.137 177.797 176.600 0.100 0.000 1.045 690 E CA 0.945 57.401 56.400 0.093 0.000 0.872 690 E CB -0.410 29.329 29.700 0.064 0.000 0.797 690 E HN 0.764 nan 8.360 nan 0.000 0.538 691 Q N -0.026 119.849 119.800 0.126 0.000 2.246 691 Q HA 0.211 4.551 4.340 -0.001 0.000 0.202 691 Q C 0.804 176.894 176.000 0.149 0.000 0.883 691 Q CA 0.444 56.320 55.803 0.121 0.000 0.952 691 Q CB 1.023 29.836 28.738 0.124 0.000 1.078 691 Q HN 0.484 nan 8.270 nan 0.000 0.493 692 G N 0.373 109.283 108.800 0.183 0.000 2.143 692 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.248 692 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.248 692 G C -0.272 174.857 174.900 0.381 0.000 0.991 692 G CA -0.097 45.119 45.100 0.194 0.000 0.689 692 G HN 0.270 nan 8.290 nan 0.000 0.522 693 L N -0.236 121.249 121.223 0.437 0.000 2.325 693 L HA 0.690 5.030 4.340 -0.001 0.000 0.278 693 L C 0.799 177.971 176.870 0.502 0.000 1.023 693 L CA -1.391 53.751 54.840 0.504 0.000 0.811 693 L CB 1.592 43.848 42.059 0.328 0.000 1.249 693 L HN 0.129 nan 8.230 nan 0.000 0.431 694 L N 3.123 124.615 121.223 0.448 0.000 2.559 694 L HA -0.059 4.281 4.340 -0.001 0.000 0.282 694 L C 1.037 177.985 176.870 0.130 0.000 1.232 694 L CA 0.993 55.838 54.840 0.009 0.000 0.885 694 L CB 0.167 42.266 42.059 0.066 0.000 1.131 694 L HN 0.830 nan 8.230 nan 0.000 0.498 695 K N 1.251 121.620 120.400 -0.053 0.000 2.511 695 K HA 0.316 4.636 4.320 -0.001 0.000 0.206 695 K C -0.162 176.378 176.600 -0.102 0.000 1.333 695 K CA 0.316 56.594 56.287 -0.015 0.000 0.957 695 K CB 0.454 32.911 32.500 -0.072 0.000 1.172 695 K HN 0.620 nan 8.250 nan 0.000 0.547 696 S N 0.201 115.814 115.700 -0.144 0.000 2.567 696 S HA 0.582 5.051 4.470 -0.001 0.000 0.270 696 S C -1.106 173.438 174.600 -0.094 0.000 1.152 696 S CA -0.996 57.145 58.200 -0.099 0.000 0.835 696 S CB 1.291 64.475 63.200 -0.027 0.000 1.115 696 S HN 0.176 nan 8.310 nan 0.000 0.459 697 I N 1.384 121.918 120.570 -0.060 0.000 2.466 697 I HA 0.464 4.634 4.170 -0.001 0.000 0.289 697 I C -0.632 175.456 176.117 -0.048 0.000 1.026 697 I CA -0.372 60.896 61.300 -0.054 0.000 1.078 697 I CB 2.163 40.118 38.000 -0.075 0.000 1.249 697 I HN 0.741 nan 8.210 nan 0.000 0.429 698 Q N 6.096 125.861 119.800 -0.059 0.000 2.357 698 Q HA 0.423 4.762 4.340 -0.001 0.000 0.266 698 Q C 0.001 175.938 176.000 -0.104 0.000 1.021 698 Q CA -0.543 55.159 55.803 -0.167 0.000 0.784 698 Q CB 1.729 30.237 28.738 -0.384 0.000 1.243 698 Q HN 0.774 nan 8.270 nan 0.000 0.465 699 L N 1.933 123.100 121.223 -0.094 0.000 2.056 699 L HA -0.036 4.304 4.340 -0.001 0.000 0.207 699 L C 1.163 178.001 176.870 -0.053 0.000 1.078 699 L CA 1.339 56.142 54.840 -0.062 0.000 0.749 699 L CB -0.389 41.636 42.059 -0.057 0.000 0.901 699 L HN 0.668 nan 8.230 nan 0.000 0.433 700 T N -5.862 108.651 114.554 -0.068 0.000 2.887 700 T HA 0.220 4.570 4.350 -0.001 0.000 0.292 700 T C 0.384 175.046 174.700 -0.064 0.000 1.087 700 T CA -0.787 61.283 62.100 -0.050 0.000 1.009 700 T CB 1.943 70.787 68.868 -0.040 0.000 1.203 700 T HN -0.034 nan 8.240 nan 0.000 0.518 701 Q N -0.105 119.672 119.800 -0.038 0.000 2.234 701 Q HA -0.141 4.198 4.340 -0.001 0.000 0.206 701 Q C 1.056 177.029 176.000 -0.046 0.000 0.980 701 Q CA 1.691 57.474 55.803 -0.033 0.000 0.869 701 Q CB -0.053 28.681 28.738 -0.007 0.000 0.912 701 Q HN 0.623 nan 8.270 nan 0.000 0.436 702 D N -0.050 120.322 120.400 -0.046 0.000 2.301 702 D HA -0.017 4.622 4.640 -0.001 0.000 0.206 702 D C 0.918 177.179 176.300 -0.066 0.000 0.979 702 D CA 0.377 54.352 54.000 -0.043 0.000 0.874 702 D CB 0.114 40.898 40.800 -0.027 0.000 0.968 702 D HN 0.140 nan 8.370 nan 0.000 0.510 703 S N 1.825 117.471 115.700 -0.089 0.000 2.596 703 S HA 0.227 4.697 4.470 -0.001 0.000 0.260 703 S C -2.365 172.139 174.600 -0.160 0.000 1.336 703 S CA -1.042 57.097 58.200 -0.103 0.000 0.993 703 S CB 0.832 63.975 63.200 -0.095 0.000 0.923 703 S HN -0.113 nan 8.310 nan 0.000 0.567 704 P HA 0.145 nan 4.420 nan 0.000 0.274 704 P C -0.713 176.476 177.300 -0.185 0.000 1.231 704 P CA -0.220 62.813 63.100 -0.112 0.000 0.790 704 P CB 0.204 31.882 31.700 -0.038 0.000 0.951 705 H N 0.789 119.842 119.070 -0.028 0.000 3.067 705 H HA 0.158 4.714 4.556 -0.001 0.000 0.265 705 H C -0.068 175.226 175.328 -0.058 0.000 1.234 705 H CA -0.224 55.798 56.048 -0.043 0.000 1.452 705 H CB -0.073 29.665 29.762 -0.039 0.000 1.527 705 H HN 0.086 nan 8.280 nan 0.000 0.486 706 V N 7.214 127.121 119.914 -0.012 0.000 2.470 706 V HA 0.055 4.174 4.120 -0.001 0.000 0.276 706 V C -1.860 174.182 176.094 -0.087 0.000 1.040 706 V CA -1.483 60.789 62.300 -0.046 0.000 1.008 706 V CB 0.765 32.551 31.823 -0.063 0.000 0.990 706 V HN 0.548 nan 8.190 nan 0.000 0.477 707 P HA 0.160 nan 4.420 nan 0.000 0.265 707 P C -0.801 176.354 177.300 -0.241 0.000 1.222 707 P CA 0.289 63.238 63.100 -0.251 0.000 0.767 707 P CB 0.430 31.808 31.700 -0.535 0.000 0.801 708 V N 4.374 124.179 119.914 -0.182 0.000 2.559 708 V HA 0.224 4.344 4.120 -0.001 0.000 0.289 708 V C -0.827 175.173 176.094 -0.158 0.000 1.036 708 V CA -0.415 61.765 62.300 -0.201 0.000 0.887 708 V CB 1.227 32.920 31.823 -0.217 0.000 1.022 708 V HN 0.532 nan 8.190 nan 0.000 0.442 709 H N 4.285 123.194 119.070 -0.269 0.000 2.505 709 H HA 0.625 5.180 4.556 -0.001 0.000 0.338 709 H C -1.169 174.037 175.328 -0.204 0.000 1.057 709 H CA -0.880 55.051 56.048 -0.194 0.000 1.202 709 H CB 1.164 30.855 29.762 -0.118 0.000 1.466 709 H HN 0.454 nan 8.280 nan 0.000 0.499 710 F N 4.175 123.793 119.950 -0.553 0.000 2.399 710 F HA 0.310 4.837 4.527 -0.001 0.000 0.342 710 F C 0.510 175.785 175.800 -0.875 0.000 1.106 710 F CA -0.038 57.608 58.000 -0.591 0.000 1.196 710 F CB 0.816 39.599 39.000 -0.362 0.000 1.163 710 F HN 0.373 nan 8.300 nan 0.000 0.547 711 K N 3.812 123.944 120.400 -0.447 0.000 2.525 711 K HA 0.437 4.757 4.320 -0.001 0.000 0.254 711 K C -1.939 174.394 176.600 -0.445 0.000 0.934 711 K CA -0.611 55.462 56.287 -0.357 0.000 0.802 711 K CB 1.374 33.747 32.500 -0.211 0.000 1.295 711 K HN 0.429 nan 8.250 nan 0.000 0.433 712 F N 4.140 124.016 119.950 -0.122 0.000 2.436 712 F HA 0.481 5.008 4.527 -0.001 0.000 0.340 712 F C -0.323 175.439 175.800 -0.064 0.000 1.113 712 F CA -0.568 57.373 58.000 -0.098 0.000 1.022 712 F CB 1.153 40.078 39.000 -0.124 0.000 1.128 712 F HN 0.250 nan 8.300 nan 0.000 0.466 713 L N 2.842 124.115 121.223 0.083 0.000 2.277 713 L HA 0.650 4.990 4.340 -0.001 0.000 0.254 713 L C -1.135 175.737 176.870 0.005 0.000 1.044 713 L CA -0.999 53.841 54.840 0.000 0.000 0.842 713 L CB 2.245 44.242 42.059 -0.105 0.000 1.422 713 L HN 0.490 nan 8.230 nan 0.000 0.422 714 K N -0.506 119.852 120.400 -0.069 0.000 2.422 714 K HA 0.657 4.977 4.320 -0.001 0.000 0.251 714 K C -1.819 174.712 176.600 -0.115 0.000 0.933 714 K CA -0.821 55.457 56.287 -0.015 0.000 0.798 714 K CB 1.809 34.333 32.500 0.040 0.000 1.238 714 K HN 0.264 nan 8.250 nan 0.000 0.428 715 Y N 0.358 120.726 120.300 0.112 0.000 2.457 715 Y HA 0.545 5.094 4.550 -0.001 0.000 0.333 715 Y C 0.920 176.885 175.900 0.109 0.000 1.119 715 Y CA -0.187 57.993 58.100 0.134 0.000 1.143 715 Y CB 2.351 40.963 38.460 0.253 0.000 1.230 715 Y HN 0.916 nan 8.280 nan 0.000 0.469 716 G N 0.498 109.453 108.800 0.260 0.000 2.971 716 G HA2 0.635 4.594 3.960 -0.001 0.000 0.235 716 G HA3 0.635 4.594 3.960 -0.001 0.000 0.235 716 G C -1.461 173.529 174.900 0.149 0.000 1.351 716 G CA -0.719 44.477 45.100 0.159 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.235 119.732 119.914 0.088 0.000 2.864 717 V HA 0.469 4.589 4.120 -0.001 0.000 0.314 717 V C -0.030 176.080 176.094 0.027 0.000 1.073 717 V CA -0.896 61.440 62.300 0.060 0.000 0.956 717 V CB 1.951 33.805 31.823 0.053 0.000 1.023 717 V HN 0.681 nan 8.190 nan 0.000 0.435 718 R N 1.265 121.773 120.500 0.013 0.000 2.537 718 R HA 0.183 4.522 4.340 -0.001 0.000 0.280 718 R C 1.222 177.497 176.300 -0.042 0.000 1.058 718 R CA 0.448 56.548 56.100 0.001 0.000 1.057 718 R CB 0.578 30.889 30.300 0.018 0.000 0.973 718 R HN 0.925 nan 8.270 nan 0.000 0.438 719 S N 1.467 117.097 115.700 -0.115 0.000 2.478 719 S HA 0.008 4.478 4.470 -0.001 0.000 0.222 719 S C 0.496 174.868 174.600 -0.380 0.000 1.008 719 S CA 0.219 58.260 58.200 -0.264 0.000 0.928 719 S CB 0.063 63.046 63.200 -0.363 0.000 0.781 719 S HN 0.552 nan 8.310 nan 0.000 0.518 720 H N 0.760 119.834 119.070 0.006 0.000 2.679 720 H HA 0.605 5.161 4.556 -0.001 0.000 0.367 720 H C 1.074 176.403 175.328 0.001 0.000 1.162 720 H CA -0.040 56.010 56.048 0.003 0.000 1.181 720 H CB 1.194 30.957 29.762 0.002 0.000 1.693 720 H HN 0.423 nan 8.280 nan 0.000 0.538 721 G N 1.981 110.856 108.800 0.124 0.000 2.593 721 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.237 721 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.237 721 G C -0.789 174.131 174.900 0.034 0.000 1.312 721 G CA -0.385 44.754 45.100 0.065 0.000 0.896 721 G HN 0.631 nan 8.290 nan 0.000 0.574 722 D N 1.154 121.567 120.400 0.021 0.000 2.424 722 D HA 0.498 5.138 4.640 -0.001 0.000 0.244 722 D C 0.991 177.294 176.300 0.006 0.000 1.134 722 D CA 0.338 54.342 54.000 0.007 0.000 0.881 722 D CB 0.789 41.590 40.800 0.000 0.000 1.191 722 D HN 0.463 nan 8.370 nan 0.000 0.445 723 R N 0.637 121.139 120.500 0.003 0.000 2.428 723 R HA 0.328 4.668 4.340 -0.001 0.000 0.294 723 R C -0.012 176.295 176.300 0.012 0.000 1.000 723 R CA -0.450 55.656 56.100 0.009 0.000 0.960 723 R CB 1.023 31.330 30.300 0.012 0.000 1.076 723 R HN 0.233 nan 8.270 nan 0.000 0.475 724 S N 0.462 116.181 115.700 0.030 0.000 2.568 724 S HA 0.494 4.963 4.470 -0.001 0.000 0.282 724 S C 0.365 174.992 174.600 0.045 0.000 1.338 724 S CA 0.284 58.515 58.200 0.053 0.000 1.045 724 S CB 1.057 64.321 63.200 0.106 0.000 0.873 724 S HN 0.742 nan 8.310 nan 0.000 0.516 725 G N -0.018 108.807 108.800 0.041 0.000 2.911 725 G HA2 0.590 4.550 3.960 -0.001 0.000 0.299 725 G HA3 0.590 4.550 3.960 -0.001 0.000 0.299 725 G C 0.582 175.501 174.900 0.031 0.000 1.283 725 G CA -0.121 45.007 45.100 0.046 0.000 0.805 725 G HN 0.704 nan 8.290 nan 0.000 0.548 726 A N -1.286 121.535 122.820 0.002 0.000 1.978 726 A HA 0.058 4.378 4.320 -0.001 0.000 0.220 726 A C 1.906 179.385 177.584 -0.175 0.000 1.170 726 A CA 2.051 54.024 52.037 -0.106 0.000 0.636 726 A CB -0.622 18.241 19.000 -0.229 0.000 0.810 726 A HN 0.591 nan 8.150 nan 0.000 0.448 727 Y N -0.762 119.471 120.300 -0.112 0.000 2.314 727 Y HA 0.338 4.888 4.550 -0.001 0.000 0.294 727 Y C 0.905 176.687 175.900 -0.197 0.000 1.139 727 Y CA -0.059 57.898 58.100 -0.237 0.000 1.162 727 Y CB -0.241 37.701 38.460 -0.863 0.000 1.121 727 Y HN 0.012 nan 8.280 nan 0.000 0.529 728 L N 0.891 122.068 121.223 -0.078 0.000 2.326 728 L HA 0.171 4.510 4.340 -0.001 0.000 0.278 728 L C -0.812 176.112 176.870 0.091 0.000 1.092 728 L CA -0.195 54.611 54.840 -0.055 0.000 0.810 728 L CB 0.836 42.817 42.059 -0.131 0.000 1.153 728 L HN 0.144 nan 8.230 nan 0.000 0.439 729 F N 5.168 125.067 119.950 -0.085 0.000 2.375 729 F HA 0.479 5.005 4.527 -0.001 0.000 0.361 729 F C -0.665 175.066 175.800 -0.115 0.000 1.117 729 F CA -0.809 57.102 58.000 -0.149 0.000 1.037 729 F CB 0.683 39.523 39.000 -0.267 0.000 1.192 729 F HN 0.325 nan 8.300 nan 0.000 0.452 730 L N 9.048 130.214 121.223 -0.094 0.000 2.488 730 L HA 0.335 4.674 4.340 -0.001 0.000 0.250 730 L C -2.302 174.422 176.870 -0.244 0.000 1.280 730 L CA -1.906 52.811 54.840 -0.205 0.000 0.929 730 L CB 1.036 43.061 42.059 -0.057 0.000 1.200 730 L HN 0.431 nan 8.230 nan 0.000 0.495 731 P HA 0.020 nan 4.420 nan 0.000 0.269 731 P C -0.546 176.701 177.300 -0.089 0.000 1.215 731 P CA -0.252 62.688 63.100 -0.267 0.000 0.780 731 P CB 0.606 32.018 31.700 -0.480 0.000 0.898 732 N N 1.224 119.941 118.700 0.029 0.000 3.250 732 N HA 0.276 5.016 4.740 -0.001 0.000 0.307 732 N C 0.702 176.244 175.510 0.053 0.000 1.355 732 N CA -0.132 52.938 53.050 0.034 0.000 1.192 732 N CB -0.828 37.686 38.487 0.045 0.000 1.478 732 N HN 0.755 nan 8.380 nan 0.000 0.543 733 G N 0.874 109.699 108.800 0.041 0.000 2.710 733 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.668 733 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.668 733 G C -3.000 171.980 174.900 0.133 0.000 1.320 733 G CA -1.095 44.040 45.100 0.058 0.000 0.860 733 G HN 0.393 nan 8.290 nan 0.000 0.538 734 P HA 0.442 nan 4.420 nan 0.000 0.269 734 P C 0.504 177.758 177.300 -0.077 0.000 1.217 734 P CA 0.710 63.867 63.100 0.095 0.000 0.783 734 P CB 0.398 32.123 31.700 0.042 0.000 0.898 735 A N 2.104 124.683 122.820 -0.402 0.000 2.425 735 A HA 0.384 4.704 4.320 -0.001 0.000 0.242 735 A C 0.169 177.594 177.584 -0.266 0.000 1.077 735 A CA 0.306 51.941 52.037 -0.671 0.000 0.781 735 A CB -0.201 18.135 19.000 -1.106 0.000 1.020 735 A HN 0.474 nan 8.150 nan 0.000 0.494 736 S N 2.337 117.924 115.700 -0.188 0.000 2.509 736 S HA 0.589 5.059 4.470 -0.001 0.000 0.297 736 S C -2.701 171.862 174.600 -0.062 0.000 1.118 736 S CA -1.023 57.126 58.200 -0.085 0.000 1.074 736 S CB 1.326 64.500 63.200 -0.044 0.000 1.038 736 S HN 0.572 nan 8.310 nan 0.000 0.498 737 P HA 0.110 nan 4.420 nan 0.000 0.268 737 P C -0.746 176.565 177.300 0.017 0.000 1.205 737 P CA -0.344 62.757 63.100 0.001 0.000 0.771 737 P CB 0.316 32.027 31.700 0.018 0.000 0.858 738 V N 4.047 123.985 119.914 0.041 0.000 2.572 738 V HA -0.004 4.116 4.120 -0.001 0.000 0.291 738 V C 0.955 177.069 176.094 0.033 0.000 1.039 738 V CA 0.196 62.519 62.300 0.039 0.000 1.055 738 V CB -0.086 31.768 31.823 0.052 0.000 0.969 738 V HN 0.477 nan 8.190 nan 0.000 0.482 739 E N 4.735 124.949 120.200 0.023 0.000 2.257 739 E HA 0.152 4.502 4.350 -0.001 0.000 0.278 739 E C 0.631 177.241 176.600 0.017 0.000 1.049 739 E CA 0.080 56.494 56.400 0.023 0.000 0.876 739 E CB 1.169 30.881 29.700 0.020 0.000 1.035 739 E HN 0.532 nan 8.360 nan 0.000 0.419 740 L N 1.993 123.231 121.223 0.024 0.000 2.446 740 L HA 0.103 4.442 4.340 -0.001 0.000 0.219 740 L C 1.408 178.287 176.870 0.016 0.000 1.116 740 L CA 0.528 55.378 54.840 0.016 0.000 0.844 740 L CB -0.442 41.638 42.059 0.035 0.000 0.970 740 L HN 0.755 nan 8.230 nan 0.000 0.457 741 G N 0.874 109.688 108.800 0.022 0.000 2.552 741 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.265 741 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.265 741 G C -0.079 174.840 174.900 0.030 0.000 1.234 741 G CA -0.182 44.932 45.100 0.024 0.000 0.944 741 G HN 0.385 nan 8.290 nan 0.000 0.568 742 Q N 1.616 121.435 119.800 0.032 0.000 2.644 742 Q HA 0.379 4.718 4.340 -0.001 0.000 0.245 742 Q C -2.146 173.882 176.000 0.045 0.000 1.064 742 Q CA -1.475 54.351 55.803 0.039 0.000 0.860 742 Q CB 1.831 30.591 28.738 0.037 0.000 1.145 742 Q HN 0.608 nan 8.270 nan 0.000 0.515 743 P HA 0.041 nan 4.420 nan 0.000 0.270 743 P C -0.266 177.088 177.300 0.090 0.000 1.223 743 P CA -0.244 62.889 63.100 0.056 0.000 0.785 743 P CB 1.049 32.765 31.700 0.027 0.000 0.923 744 V N 2.218 122.222 119.914 0.148 0.000 2.530 744 V HA 0.144 4.264 4.120 -0.001 0.000 0.282 744 V C 0.515 176.753 176.094 0.240 0.000 1.048 744 V CA -0.242 62.172 62.300 0.190 0.000 0.997 744 V CB 1.327 33.301 31.823 0.250 0.000 0.987 744 V HN 0.271 nan 8.190 nan 0.000 0.477 745 V N 6.310 126.312 119.914 0.146 0.000 2.487 745 V HA 0.481 4.600 4.120 -0.001 0.000 0.298 745 V C -0.492 175.621 176.094 0.032 0.000 1.028 745 V CA -0.644 61.720 62.300 0.106 0.000 0.860 745 V CB 1.734 33.579 31.823 0.037 0.000 0.991 745 V HN 0.669 nan 8.190 nan 0.000 0.427 746 L N 6.653 127.893 121.223 0.028 0.000 2.313 746 L HA 0.757 5.096 4.340 -0.001 0.000 0.283 746 L C -0.661 176.091 176.870 -0.196 0.000 1.013 746 L CA -0.005 54.727 54.840 -0.180 0.000 0.816 746 L CB 1.782 43.636 42.059 -0.343 0.000 1.236 746 L HN 0.439 nan 8.230 nan 0.000 0.419 747 V N 3.972 123.756 119.914 -0.216 0.000 2.417 747 V HA 0.592 4.711 4.120 -0.001 0.000 0.291 747 V C -0.046 175.966 176.094 -0.136 0.000 1.024 747 V CA -0.397 61.797 62.300 -0.177 0.000 0.861 747 V CB 1.645 33.381 31.823 -0.144 0.000 0.985 747 V HN 0.845 nan 8.190 nan 0.000 0.436 748 T N 5.181 119.685 114.554 -0.083 0.000 2.809 748 T HA 0.443 4.792 4.350 -0.001 0.000 0.284 748 T C -0.486 174.235 174.700 0.034 0.000 0.992 748 T CA -0.597 61.509 62.100 0.010 0.000 0.957 748 T CB 1.212 70.123 68.868 0.072 0.000 0.942 748 T HN 0.675 nan 8.240 nan 0.000 0.439 749 K N 2.372 122.810 120.400 0.064 0.000 2.358 749 K HA 0.702 5.021 4.320 -0.001 0.000 0.260 749 K C -0.391 176.265 176.600 0.093 0.000 0.956 749 K CA -0.572 55.755 56.287 0.066 0.000 0.834 749 K CB 1.032 33.565 32.500 0.055 0.000 1.102 749 K HN 0.787 nan 8.250 nan 0.000 0.431 750 G N 2.188 111.040 108.800 0.086 0.000 2.642 750 G HA2 0.167 4.127 3.960 -0.001 0.000 0.293 750 G HA3 0.167 4.127 3.960 -0.001 0.000 0.293 750 G C -0.287 174.656 174.900 0.071 0.000 1.341 750 G CA -0.631 44.522 45.100 0.088 0.000 0.916 750 G HN 0.654 nan 8.290 nan 0.000 0.474 751 K N -0.148 120.290 120.400 0.063 0.000 2.148 751 K HA 0.115 4.435 4.320 -0.001 0.000 0.204 751 K C 1.598 178.232 176.600 0.057 0.000 1.050 751 K CA 0.955 57.276 56.287 0.056 0.000 0.942 751 K CB -0.128 32.402 32.500 0.050 0.000 0.724 751 K HN 0.442 nan 8.250 nan 0.000 0.446 752 L N -0.580 120.678 121.223 0.058 0.000 2.357 752 L HA 0.197 4.537 4.340 -0.001 0.000 0.211 752 L C 0.595 177.499 176.870 0.056 0.000 1.075 752 L CA 0.138 55.013 54.840 0.057 0.000 0.830 752 L CB 0.366 42.462 42.059 0.061 0.000 0.996 752 L HN 0.162 nan 8.230 nan 0.000 0.467 753 E N -0.307 119.930 120.200 0.062 0.000 2.321 753 E HA 0.398 4.748 4.350 -0.001 0.000 0.281 753 E C -1.458 175.184 176.600 0.070 0.000 0.910 753 E CA -0.215 56.223 56.400 0.062 0.000 0.770 753 E CB 2.116 31.852 29.700 0.060 0.000 1.225 753 E HN -0.117 nan 8.360 nan 0.000 0.417 754 S N 1.215 116.954 115.700 0.064 0.000 2.634 754 S HA 0.805 5.275 4.470 -0.001 0.000 0.296 754 S C -1.248 173.373 174.600 0.036 0.000 1.104 754 S CA -0.673 57.560 58.200 0.055 0.000 0.920 754 S CB 1.787 65.020 63.200 0.055 0.000 1.111 754 S HN 0.636 nan 8.310 nan 0.000 0.493 755 S N -0.368 115.328 115.700 -0.007 0.000 2.588 755 S HA 0.740 5.210 4.470 -0.001 0.000 0.269 755 S C -1.781 172.721 174.600 -0.164 0.000 1.157 755 S CA -0.748 57.421 58.200 -0.052 0.000 0.824 755 S CB 1.035 64.227 63.200 -0.014 0.000 1.126 755 S HN 0.476 nan 8.310 nan 0.000 0.464 756 V N 1.731 121.486 119.914 -0.264 0.000 2.483 756 V HA 0.730 4.850 4.120 -0.001 0.000 0.297 756 V C -0.541 175.413 176.094 -0.234 0.000 1.027 756 V CA -0.388 61.684 62.300 -0.380 0.000 0.855 756 V CB 1.604 32.879 31.823 -0.912 0.000 0.995 756 V HN 0.982 nan 8.190 nan 0.000 0.424 757 S N 3.218 118.836 115.700 -0.137 0.000 2.500 757 S HA 0.786 5.255 4.470 -0.001 0.000 0.301 757 S C -0.834 173.692 174.600 -0.124 0.000 1.092 757 S CA -0.611 57.514 58.200 -0.125 0.000 1.030 757 S CB 2.122 65.348 63.200 0.044 0.000 1.031 757 S HN 0.655 nan 8.310 nan 0.000 0.483 758 V N 2.191 121.912 119.914 -0.322 0.000 2.760 758 V HA 0.805 4.924 4.120 -0.001 0.000 0.309 758 V C -0.026 175.696 176.094 -0.620 0.000 1.077 758 V CA -0.437 61.688 62.300 -0.292 0.000 0.910 758 V CB 1.771 33.560 31.823 -0.057 0.000 1.008 758 V HN 0.985 nan 8.190 nan 0.000 0.424 759 G N 7.089 115.542 108.800 -0.579 0.000 2.530 759 G HA2 0.530 4.489 3.960 -0.001 0.000 0.313 759 G HA3 0.530 4.489 3.960 -0.001 0.000 0.313 759 G C -0.558 174.203 174.900 -0.231 0.000 0.971 759 G CA -0.325 44.487 45.100 -0.479 0.000 1.237 759 G HN 0.703 nan 8.290 nan 0.000 0.446 760 L N 2.858 123.904 121.223 -0.295 0.000 2.387 760 L HA 0.407 4.746 4.340 -0.001 0.000 0.266 760 L C -2.089 174.642 176.870 -0.232 0.000 1.059 760 L CA -2.394 52.301 54.840 -0.242 0.000 0.801 760 L CB 2.003 43.856 42.059 -0.344 0.000 1.223 760 L HN 0.203 nan 8.230 nan 0.000 0.456 761 P HA 0.082 nan 4.420 nan 0.000 0.267 761 P C 0.065 177.273 177.300 -0.153 0.000 1.209 761 P CA 0.407 63.426 63.100 -0.136 0.000 0.763 761 P CB 0.966 32.621 31.700 -0.075 0.000 0.816 762 S N -0.241 115.382 115.700 -0.128 0.000 2.769 762 S HA -0.113 4.357 4.470 -0.001 0.000 0.264 762 S C 0.195 174.687 174.600 -0.179 0.000 1.288 762 S CA 1.273 59.406 58.200 -0.111 0.000 1.378 762 S CB -1.522 61.637 63.200 -0.069 0.000 1.702 762 S HN 0.401 nan 8.310 nan 0.000 0.656 763 V N 1.083 120.826 119.914 -0.286 0.000 2.711 763 V HA 0.478 4.598 4.120 -0.001 0.000 0.304 763 V C -0.343 175.503 176.094 -0.413 0.000 1.097 763 V CA -0.816 61.263 62.300 -0.369 0.000 0.906 763 V CB 2.150 33.581 31.823 -0.655 0.000 1.015 763 V HN 0.084 nan 8.190 nan 0.000 0.427 764 V N 3.863 123.543 119.914 -0.389 0.000 2.348 764 V HA 0.353 4.473 4.120 -0.001 0.000 0.270 764 V C -0.251 175.608 176.094 -0.392 0.000 1.037 764 V CA -0.404 61.556 62.300 -0.567 0.000 0.872 764 V CB 0.938 32.322 31.823 -0.733 0.000 1.002 764 V HN 0.935 nan 8.190 nan 0.000 0.464 765 H N 4.772 123.564 119.070 -0.463 0.000 2.517 765 H HA 0.627 5.182 4.556 -0.001 0.000 0.317 765 H C -0.395 174.801 175.328 -0.219 0.000 1.080 765 H CA -0.291 55.592 56.048 -0.275 0.000 1.301 765 H CB 1.047 30.685 29.762 -0.206 0.000 1.425 765 H HN 0.687 nan 8.280 nan 0.000 0.471 766 Q N 3.266 122.749 119.800 -0.529 0.000 2.323 766 Q HA 0.409 4.748 4.340 -0.001 0.000 0.271 766 Q C -1.101 174.689 176.000 -0.350 0.000 1.048 766 Q CA -1.008 54.573 55.803 -0.370 0.000 0.792 766 Q CB 2.484 31.111 28.738 -0.184 0.000 1.280 766 Q HN 0.601 nan 8.270 nan 0.000 0.441 767 T N 2.878 117.315 114.554 -0.195 0.000 2.791 767 T HA 0.574 4.923 4.350 -0.001 0.000 0.288 767 T C -0.363 174.361 174.700 0.041 0.000 0.999 767 T CA -0.426 61.678 62.100 0.005 0.000 0.952 767 T CB 0.319 69.364 68.868 0.294 0.000 0.938 767 T HN 0.375 nan 8.240 nan 0.000 0.444 768 I N 3.635 124.242 120.570 0.061 0.000 2.441 768 I HA 0.510 4.680 4.170 -0.001 0.000 0.295 768 I C -0.225 175.944 176.117 0.088 0.000 0.994 768 I CA -0.807 60.529 61.300 0.059 0.000 1.144 768 I CB 1.720 39.745 38.000 0.041 0.000 1.314 768 I HN 0.383 nan 8.210 nan 0.000 0.445 769 M N 5.726 125.377 119.600 0.085 0.000 2.253 769 M HA 0.473 4.953 4.480 -0.001 0.000 0.314 769 M C 0.213 176.554 176.300 0.069 0.000 1.019 769 M CA -0.299 55.056 55.300 0.091 0.000 0.932 769 M CB 2.220 34.889 32.600 0.115 0.000 1.606 769 M HN 0.471 nan 8.290 nan 0.000 0.430 770 R N 1.203 121.738 120.500 0.059 0.000 2.572 770 R HA 0.360 4.700 4.340 -0.001 0.000 0.370 770 R C 0.782 177.110 176.300 0.046 0.000 1.005 770 R CA 0.286 56.415 56.100 0.047 0.000 1.146 770 R CB 1.113 31.433 30.300 0.034 0.000 1.390 770 R HN 1.141 nan 8.270 nan 0.000 0.553 771 G N -0.294 108.536 108.800 0.050 0.000 2.255 771 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.196 771 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.196 771 G C 0.286 175.208 174.900 0.037 0.000 0.998 771 G CA -0.372 44.754 45.100 0.044 0.000 0.656 771 G HN 0.522 nan 8.290 nan 0.000 0.490 772 G N -0.066 108.757 108.800 0.038 0.000 3.252 772 G HA2 0.795 4.755 3.960 -0.001 0.000 0.181 772 G HA3 0.795 4.755 3.960 -0.001 0.000 0.181 772 G C 0.416 175.338 174.900 0.037 0.000 1.187 772 G CA 0.472 45.590 45.100 0.031 0.000 0.886 772 G HN 1.526 nan 8.290 nan 0.000 0.615 773 A N 1.350 124.190 122.820 0.032 0.000 2.540 773 A HA 0.523 4.842 4.320 -0.001 0.000 0.239 773 A C -1.763 175.859 177.584 0.064 0.000 1.061 773 A CA -0.421 51.641 52.037 0.041 0.000 0.758 773 A CB -0.422 18.600 19.000 0.035 0.000 0.991 773 A HN 0.386 nan 8.150 nan 0.000 0.502 774 P HA 0.157 nan 4.420 nan 0.000 0.272 774 P C -0.495 176.878 177.300 0.122 0.000 1.240 774 P CA -0.224 62.943 63.100 0.112 0.000 0.791 774 P CB 0.662 32.452 31.700 0.150 0.000 0.978 775 E N 1.170 121.438 120.200 0.114 0.000 2.179 775 E HA 0.398 4.747 4.350 -0.001 0.000 0.275 775 E C -0.889 175.788 176.600 0.128 0.000 0.945 775 E CA -0.708 55.763 56.400 0.118 0.000 0.792 775 E CB 0.638 30.383 29.700 0.074 0.000 1.125 775 E HN 0.199 nan 8.360 nan 0.000 0.397 776 I N 4.048 124.731 120.570 0.188 0.000 2.404 776 I HA 0.424 4.593 4.170 -0.001 0.000 0.293 776 I C -0.022 176.219 176.117 0.206 0.000 0.992 776 I CA -0.641 60.745 61.300 0.143 0.000 1.149 776 I CB 1.345 39.443 38.000 0.164 0.000 1.315 776 I HN 0.574 nan 8.210 nan 0.000 0.446 777 R N 4.575 125.117 120.500 0.071 0.000 2.561 777 R HA 0.496 4.835 4.340 -0.001 0.000 0.297 777 R C -0.993 175.348 176.300 0.069 0.000 0.969 777 R CA -0.859 55.297 56.100 0.093 0.000 0.879 777 R CB 2.123 32.434 30.300 0.019 0.000 1.178 777 R HN 0.469 nan 8.270 nan 0.000 0.445 778 N N 2.626 121.430 118.700 0.173 0.000 2.407 778 N HA 0.199 4.939 4.740 -0.001 0.000 0.277 778 N C -1.281 174.234 175.510 0.008 0.000 0.995 778 N CA -0.706 52.417 53.050 0.122 0.000 0.903 778 N CB 1.966 40.629 38.487 0.295 0.000 1.218 778 N HN 0.322 nan 8.380 nan 0.000 0.487 779 L N 3.689 124.857 121.223 -0.093 0.000 2.282 779 L HA 0.394 4.733 4.340 -0.001 0.000 0.287 779 L C -1.057 175.735 176.870 -0.130 0.000 1.075 779 L CA -0.515 54.253 54.840 -0.120 0.000 0.839 779 L CB 0.456 42.431 42.059 -0.140 0.000 1.219 779 L HN 0.207 nan 8.230 nan 0.000 0.434 780 V N 4.666 124.509 119.914 -0.119 0.000 2.364 780 V HA 0.371 4.491 4.120 -0.001 0.000 0.272 780 V C -0.418 175.638 176.094 -0.064 0.000 1.036 780 V CA -0.440 61.807 62.300 -0.088 0.000 0.880 780 V CB 1.175 32.968 31.823 -0.050 0.000 0.991 780 V HN 0.707 nan 8.190 nan 0.000 0.460 781 D N 4.082 124.451 120.400 -0.052 0.000 2.375 781 D HA 0.261 4.901 4.640 -0.001 0.000 0.259 781 D C 0.564 176.862 176.300 -0.003 0.000 1.235 781 D CA -0.418 53.569 54.000 -0.022 0.000 0.924 781 D CB 1.318 42.107 40.800 -0.019 0.000 1.143 781 D HN 0.456 nan 8.370 nan 0.000 0.529 782 I N 2.399 122.979 120.570 0.017 0.000 3.083 782 I HA 0.031 4.201 4.170 -0.001 0.000 0.273 782 I C 1.445 177.583 176.117 0.034 0.000 1.297 782 I CA 1.109 62.428 61.300 0.032 0.000 1.452 782 I CB -0.241 37.791 38.000 0.054 0.000 1.078 782 I HN 0.627 nan 8.210 nan 0.000 0.484 783 G N 0.844 109.663 108.800 0.031 0.000 2.634 783 G HA2 -0.461 3.499 3.960 -0.001 0.000 0.309 783 G HA3 -0.461 3.499 3.960 -0.001 0.000 0.309 783 G C 0.598 175.517 174.900 0.033 0.000 1.265 783 G CA 0.571 45.692 45.100 0.034 0.000 0.998 783 G HN 0.719 nan 8.290 nan 0.000 0.551 784 S N -0.161 115.560 115.700 0.034 0.000 2.561 784 S HA 0.548 5.017 4.470 -0.001 0.000 0.245 784 S C 0.749 175.370 174.600 0.034 0.000 1.001 784 S CA 0.002 58.220 58.200 0.030 0.000 1.002 784 S CB 0.018 63.232 63.200 0.023 0.000 0.805 784 S HN 0.676 nan 8.310 nan 0.000 0.458 785 L N 2.992 124.239 121.223 0.039 0.000 2.451 785 L HA 0.249 4.588 4.340 -0.001 0.000 0.272 785 L C -0.321 176.576 176.870 0.045 0.000 1.258 785 L CA -0.322 54.544 54.840 0.042 0.000 1.132 785 L CB -0.631 41.455 42.059 0.045 0.000 1.361 785 L HN 0.207 nan 8.230 nan 0.000 0.438 786 D N 2.560 122.985 120.400 0.040 0.000 2.400 786 D HA -0.021 4.619 4.640 -0.001 0.000 0.238 786 D C 0.760 177.088 176.300 0.048 0.000 1.157 786 D CA 0.235 54.260 54.000 0.041 0.000 0.889 786 D CB 0.333 41.153 40.800 0.033 0.000 1.199 786 D HN 0.295 nan 8.370 nan 0.000 0.436 787 N N 0.280 119.012 118.700 0.053 0.000 2.725 787 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 787 N C -0.934 174.625 175.510 0.081 0.000 1.031 787 N CA 0.877 53.964 53.050 0.063 0.000 0.720 787 N CB -1.148 37.368 38.487 0.048 0.000 0.930 787 N HN 0.290 nan 8.380 nan 0.000 0.543 788 T N 0.353 114.960 114.554 0.088 0.000 2.893 788 T HA 0.429 4.779 4.350 -0.001 0.000 0.293 788 T C -0.243 174.531 174.700 0.124 0.000 1.027 788 T CA -0.692 61.472 62.100 0.108 0.000 0.988 788 T CB 2.328 71.246 68.868 0.084 0.000 1.043 788 T HN 0.013 nan 8.240 nan 0.000 0.461 789 E N 2.308 122.613 120.200 0.174 0.000 2.191 789 E HA 0.430 4.780 4.350 -0.001 0.000 0.263 789 E C -0.765 175.962 176.600 0.211 0.000 0.881 789 E CA -0.591 55.907 56.400 0.165 0.000 0.757 789 E CB 2.245 32.019 29.700 0.123 0.000 1.147 789 E HN 0.485 nan 8.360 nan 0.000 0.414 790 I N 2.965 123.641 120.570 0.176 0.000 2.315 790 I HA 0.217 4.386 4.170 -0.001 0.000 0.291 790 I C -0.221 176.040 176.117 0.239 0.000 1.006 790 I CA -0.691 60.726 61.300 0.196 0.000 1.265 790 I CB 1.345 39.447 38.000 0.169 0.000 1.387 790 I HN 0.192 nan 8.210 nan 0.000 0.475 791 V N 8.171 128.230 119.914 0.242 0.000 2.628 791 V HA 0.527 4.646 4.120 -0.001 0.000 0.306 791 V C -0.503 175.637 176.094 0.076 0.000 1.045 791 V CA -0.736 61.693 62.300 0.215 0.000 0.905 791 V CB 2.005 34.018 31.823 0.317 0.000 0.997 791 V HN 0.761 nan 8.190 nan 0.000 0.436 792 M N 7.230 126.799 119.600 -0.051 0.000 2.149 792 M HA 0.586 5.066 4.480 -0.001 0.000 0.342 792 M C -0.651 175.500 176.300 -0.248 0.000 1.068 792 M CA -0.472 54.560 55.300 -0.448 0.000 0.991 792 M CB 0.738 33.044 32.600 -0.490 0.000 1.596 792 M HN 0.767 nan 8.290 nan 0.000 0.439 793 R N 4.499 124.836 120.500 -0.271 0.000 2.711 793 R HA 0.729 5.069 4.340 -0.001 0.000 0.284 793 R C -1.945 174.257 176.300 -0.164 0.000 0.968 793 R CA -0.625 55.384 56.100 -0.152 0.000 0.924 793 R CB 1.555 31.787 30.300 -0.113 0.000 1.162 793 R HN 0.828 nan 8.270 nan 0.000 0.465 794 L N 3.101 124.216 121.223 -0.181 0.000 2.313 794 L HA 0.421 4.760 4.340 -0.001 0.000 0.283 794 L C -0.598 176.162 176.870 -0.184 0.000 1.013 794 L CA -0.415 54.247 54.840 -0.296 0.000 0.816 794 L CB 1.992 43.832 42.059 -0.366 0.000 1.236 794 L HN 0.613 nan 8.230 nan 0.000 0.419 795 E N 2.254 122.360 120.200 -0.156 0.000 2.145 795 E HA 0.472 4.822 4.350 -0.001 0.000 0.270 795 E C -0.583 175.969 176.600 -0.080 0.000 0.906 795 E CA -0.435 55.930 56.400 -0.058 0.000 0.761 795 E CB 2.036 31.750 29.700 0.024 0.000 1.116 795 E HN 0.615 nan 8.360 nan 0.000 0.408 796 T N -0.992 113.534 114.554 -0.046 0.000 2.831 796 T HA 0.346 4.696 4.350 -0.001 0.000 0.287 796 T C 0.167 174.926 174.700 0.099 0.000 1.070 796 T CA -0.696 61.353 62.100 -0.085 0.000 1.010 796 T CB 1.092 69.919 68.868 -0.070 0.000 1.264 796 T HN 0.584 nan 8.240 nan 0.000 0.532 797 H N -0.714 118.345 119.070 -0.018 0.000 2.528 797 H HA 0.415 4.970 4.556 -0.001 0.000 0.282 797 H C 0.109 175.435 175.328 -0.002 0.000 1.097 797 H CA -0.622 55.420 56.048 -0.009 0.000 1.121 797 H CB 0.177 29.934 29.762 -0.008 0.000 1.590 797 H HN 0.332 nan 8.280 nan 0.000 0.553 798 I N 2.013 122.645 120.570 0.103 0.000 2.752 798 I HA -0.139 4.030 4.170 -0.001 0.000 0.289 798 I C 0.567 176.725 176.117 0.069 0.000 1.197 798 I CA 0.408 61.749 61.300 0.068 0.000 1.432 798 I CB 0.398 38.429 38.000 0.051 0.000 1.359 798 I HN 0.211 nan 8.210 nan 0.000 0.571 799 D N 4.870 125.306 120.400 0.060 0.000 2.619 799 D HA 0.041 4.681 4.640 -0.001 0.000 0.224 799 D C 1.182 177.521 176.300 0.065 0.000 1.133 799 D CA -0.081 53.951 54.000 0.053 0.000 1.017 799 D CB 0.373 41.198 40.800 0.041 0.000 1.077 799 D HN 0.548 nan 8.370 nan 0.000 0.503 800 S N 0.483 116.228 115.700 0.075 0.000 2.501 800 S HA 0.249 4.719 4.470 -0.001 0.000 0.220 800 S C 1.608 176.261 174.600 0.088 0.000 0.997 800 S CA 0.284 58.544 58.200 0.099 0.000 0.919 800 S CB -0.138 63.133 63.200 0.119 0.000 0.778 800 S HN 0.537 nan 8.310 nan 0.000 0.523 801 G N 3.265 112.104 108.800 0.066 0.000 2.574 801 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.301 801 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.301 801 G C 0.181 175.122 174.900 0.069 0.000 1.166 801 G CA 0.617 45.752 45.100 0.057 0.000 0.971 801 G HN 0.757 nan 8.290 nan 0.000 0.542 802 D N 0.238 120.684 120.400 0.077 0.000 2.440 802 D HA 0.334 4.973 4.640 -0.001 0.000 0.216 802 D C 0.736 177.125 176.300 0.149 0.000 1.150 802 D CA -0.216 53.848 54.000 0.107 0.000 0.832 802 D CB 0.246 41.094 40.800 0.081 0.000 0.992 802 D HN 0.449 nan 8.370 nan 0.000 0.502 803 I N 1.478 122.120 120.570 0.120 0.000 2.437 803 I HA 0.492 4.661 4.170 -0.001 0.000 0.298 803 I C -0.053 176.169 176.117 0.175 0.000 0.984 803 I CA -1.076 60.249 61.300 0.042 0.000 1.214 803 I CB 0.561 38.551 38.000 -0.018 0.000 1.365 803 I HN 0.007 nan 8.210 nan 0.000 0.469 804 F N 4.066 123.840 119.950 -0.294 0.000 2.741 804 F HA 0.665 5.191 4.527 -0.001 0.000 0.313 804 F C -2.044 173.414 175.800 -0.570 0.000 1.153 804 F CA -1.190 56.665 58.000 -0.241 0.000 0.931 804 F CB 1.489 40.413 39.000 -0.126 0.000 1.335 804 F HN 0.167 nan 8.300 nan 0.000 0.460 805 Y N 0.237 120.302 120.300 -0.391 0.000 2.462 805 Y HA 0.707 5.256 4.550 -0.001 0.000 0.346 805 Y C 0.051 175.772 175.900 -0.298 0.000 0.976 805 Y CA -0.711 57.024 58.100 -0.609 0.000 1.044 805 Y CB 2.462 40.148 38.460 -1.290 0.000 1.230 805 Y HN 0.863 nan 8.280 nan 0.000 0.455 806 T N -1.464 113.012 114.554 -0.129 0.000 2.896 806 T HA 0.483 4.833 4.350 -0.001 0.000 0.297 806 T C -1.142 173.385 174.700 -0.288 0.000 1.108 806 T CA -1.085 60.965 62.100 -0.084 0.000 1.004 806 T CB 2.058 70.850 68.868 -0.127 0.000 1.159 806 T HN 0.580 nan 8.240 nan 0.000 0.499 807 D N 0.982 121.059 120.400 -0.538 0.000 2.332 807 D HA 0.392 5.032 4.640 -0.001 0.000 0.252 807 D C -0.624 175.406 176.300 -0.450 0.000 1.050 807 D CA -0.835 52.652 54.000 -0.856 0.000 0.970 807 D CB 1.305 41.326 40.800 -1.298 0.000 1.141 807 D HN 0.556 nan 8.370 nan 0.000 0.485 808 L N 0.895 121.897 121.223 -0.368 0.000 2.316 808 L HA 0.216 4.555 4.340 -0.001 0.000 0.280 808 L C -0.148 176.599 176.870 -0.205 0.000 1.006 808 L CA -0.767 53.948 54.840 -0.208 0.000 0.836 808 L CB 0.446 42.449 42.059 -0.094 0.000 1.221 808 L HN 0.453 nan 8.230 nan 0.000 0.418 809 N N 2.143 120.726 118.700 -0.196 0.000 2.714 809 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 809 N C 0.962 176.251 175.510 -0.368 0.000 1.117 809 N CA 0.889 53.818 53.050 -0.201 0.000 0.719 809 N CB -1.099 37.352 38.487 -0.059 0.000 1.081 809 N HN 1.073 nan 8.380 nan 0.000 0.557 810 G N -1.575 107.010 108.800 -0.358 0.000 2.166 810 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.260 810 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.260 810 G C 0.620 175.499 174.900 -0.035 0.000 0.986 810 G CA 0.699 45.615 45.100 -0.307 0.000 0.683 810 G HN 0.509 nan 8.290 nan 0.000 0.527 811 L N -0.528 120.614 121.223 -0.135 0.000 2.467 811 L HA 0.501 4.840 4.340 -0.001 0.000 0.213 811 L C 0.958 177.707 176.870 -0.203 0.000 1.053 811 L CA 1.914 56.594 54.840 -0.267 0.000 0.847 811 L CB 0.147 41.903 42.059 -0.506 0.000 1.075 811 L HN 0.702 nan 8.230 nan 0.000 0.479 812 Q N -1.794 117.888 119.800 -0.196 0.000 2.482 812 Q HA 0.360 4.700 4.340 -0.001 0.000 0.286 812 Q C -1.689 174.183 176.000 -0.212 0.000 1.007 812 Q CA -0.755 54.996 55.803 -0.087 0.000 0.801 812 Q CB 1.131 29.875 28.738 0.009 0.000 1.455 812 Q HN -0.038 nan 8.270 nan 0.000 0.398 813 F N 1.204 121.110 119.950 -0.074 0.000 2.436 813 F HA 0.605 5.132 4.527 -0.001 0.000 0.340 813 F C -0.208 175.556 175.800 -0.059 0.000 1.113 813 F CA -0.832 57.139 58.000 -0.048 0.000 1.022 813 F CB 1.711 40.729 39.000 0.029 0.000 1.128 813 F HN 0.528 nan 8.300 nan 0.000 0.466 814 I N 3.843 124.416 120.570 0.004 0.000 2.530 814 I HA 0.328 4.497 4.170 -0.001 0.000 0.297 814 I C -0.492 175.477 176.117 -0.246 0.000 1.011 814 I CA -0.846 60.404 61.300 -0.083 0.000 1.107 814 I CB 1.274 39.175 38.000 -0.166 0.000 1.285 814 I HN 0.455 nan 8.210 nan 0.000 0.436 815 K N 6.674 126.886 120.400 -0.314 0.000 2.368 815 K HA 0.261 4.580 4.320 -0.001 0.000 0.282 815 K C -0.835 175.299 176.600 -0.776 0.000 1.035 815 K CA -0.388 55.435 56.287 -0.774 0.000 0.973 815 K CB 0.517 32.704 32.500 -0.522 0.000 0.957 815 K HN 0.517 nan 8.250 nan 0.000 0.474 816 R N 3.016 122.873 120.500 -1.070 0.000 2.778 816 R HA 0.364 4.704 4.340 -0.001 0.000 0.277 816 R C -0.383 175.419 176.300 -0.829 0.000 0.977 816 R CA -0.771 54.638 56.100 -1.152 0.000 0.950 816 R CB 1.565 30.619 30.300 -2.078 0.000 1.165 816 R HN 0.655 nan 8.270 nan 0.000 0.474 817 R N 1.477 121.712 120.500 -0.442 0.000 2.483 817 R HA 0.295 4.634 4.340 -0.001 0.000 0.303 817 R C -0.581 175.768 176.300 0.082 0.000 0.987 817 R CA -0.653 55.365 56.100 -0.137 0.000 0.881 817 R CB 1.528 31.782 30.300 -0.075 0.000 1.177 817 R HN 0.545 nan 8.270 nan 0.000 0.451 818 R N 4.879 125.540 120.500 0.268 0.000 2.522 818 R HA 0.100 4.440 4.340 -0.001 0.000 0.284 818 R C -0.903 175.485 176.300 0.147 0.000 1.032 818 R CA 0.263 56.548 56.100 0.309 0.000 1.049 818 R CB 0.391 30.845 30.300 0.256 0.000 0.956 818 R HN 0.551 nan 8.270 nan 0.000 0.422 819 L N 5.178 126.463 121.223 0.105 0.000 2.316 819 L HA 0.209 4.549 4.340 -0.001 0.000 0.280 819 L C 0.285 177.146 176.870 -0.015 0.000 1.006 819 L CA -0.665 54.190 54.840 0.025 0.000 0.836 819 L CB 1.916 43.957 42.059 -0.031 0.000 1.221 819 L HN 0.658 nan 8.230 nan 0.000 0.418 820 D N 1.787 122.186 120.400 -0.002 0.000 2.348 820 D HA -0.125 4.515 4.640 -0.001 0.000 0.216 820 D C 1.696 177.977 176.300 -0.033 0.000 0.970 820 D CA 0.792 54.785 54.000 -0.012 0.000 0.889 820 D CB 0.350 41.153 40.800 0.005 0.000 0.912 820 D HN 0.564 nan 8.370 nan 0.000 0.524 821 K N 0.328 120.699 120.400 -0.048 0.000 2.486 821 K HA 0.008 4.327 4.320 -0.001 0.000 0.194 821 K C 0.668 177.204 176.600 -0.107 0.000 1.033 821 K CA 0.312 56.569 56.287 -0.050 0.000 1.004 821 K CB 0.328 32.812 32.500 -0.027 0.000 0.798 821 K HN 0.111 nan 8.250 nan 0.000 0.495 822 L N 2.526 123.648 121.223 -0.169 0.000 2.334 822 L HA 0.452 4.791 4.340 -0.001 0.000 0.273 822 L C -2.223 174.535 176.870 -0.186 0.000 1.013 822 L CA -2.878 51.818 54.840 -0.240 0.000 0.816 822 L CB 1.509 43.328 42.059 -0.400 0.000 1.278 822 L HN -0.041 nan 8.230 nan 0.000 0.431 823 P HA 0.014 nan 4.420 nan 0.000 0.272 823 P C 0.856 178.025 177.300 -0.217 0.000 1.240 823 P CA -0.358 62.639 63.100 -0.171 0.000 0.791 823 P CB 1.272 32.898 31.700 -0.124 0.000 0.978 824 L N 0.848 121.972 121.223 -0.166 0.000 2.021 824 L HA -0.274 4.065 4.340 -0.001 0.000 0.215 824 L C 2.545 179.316 176.870 -0.165 0.000 1.074 824 L CA 1.902 56.665 54.840 -0.128 0.000 0.760 824 L CB -0.662 41.315 42.059 -0.137 0.000 0.889 824 L HN 0.433 nan 8.230 nan 0.000 0.433 825 Q N -0.342 119.247 119.800 -0.352 0.000 2.291 825 Q HA -0.173 4.167 4.340 -0.001 0.000 0.206 825 Q C 1.835 177.743 176.000 -0.154 0.000 0.976 825 Q CA 1.519 57.155 55.803 -0.278 0.000 0.875 825 Q CB -0.506 28.005 28.738 -0.378 0.000 0.927 825 Q HN 0.606 nan 8.270 nan 0.000 0.450 826 A N 1.337 123.854 122.820 -0.505 0.000 2.067 826 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 826 A C 1.638 179.039 177.584 -0.305 0.000 1.156 826 A CA 0.639 52.227 52.037 -0.749 0.000 0.683 826 A CB -0.137 17.978 19.000 -1.475 0.000 0.808 826 A HN 0.329 nan 8.150 nan 0.000 0.455 827 N N -1.136 117.494 118.700 -0.116 0.000 2.336 827 N HA 0.056 4.796 4.740 -0.001 0.000 0.189 827 N C -0.825 174.770 175.510 0.142 0.000 1.113 827 N CA 0.196 53.288 53.050 0.069 0.000 0.858 827 N CB 0.059 38.640 38.487 0.155 0.000 0.970 827 N HN 0.449 nan 8.380 nan 0.000 0.471 828 Y N 0.230 120.483 120.300 -0.079 0.000 2.309 828 Y HA 0.206 4.756 4.550 -0.001 0.000 0.327 828 Y C -0.166 175.674 175.900 -0.099 0.000 1.172 828 Y CA -0.113 58.028 58.100 0.068 0.000 1.280 828 Y CB 0.394 38.969 38.460 0.191 0.000 1.234 828 Y HN -0.066 nan 8.280 nan 0.000 0.512 829 Y N 2.838 123.288 120.300 0.250 0.000 2.609 829 Y HA 0.441 4.991 4.550 -0.001 0.000 0.342 829 Y C -2.329 173.334 175.900 -0.396 0.000 1.058 829 Y CA -2.833 55.291 58.100 0.039 0.000 1.055 829 Y CB 1.583 40.039 38.460 -0.007 0.000 1.292 829 Y HN 0.441 nan 8.280 nan 0.000 0.476 830 P HA 0.126 nan 4.420 nan 0.000 0.271 830 P C -0.715 176.351 177.300 -0.390 0.000 1.216 830 P CA 0.274 62.797 63.100 -0.961 0.000 0.771 830 P CB 0.488 31.519 31.700 -1.116 0.000 0.864 831 I N 5.462 125.881 120.570 -0.252 0.000 2.778 831 I HA 0.162 4.332 4.170 -0.001 0.000 0.285 831 I C -1.611 174.436 176.117 -0.117 0.000 1.236 831 I CA -2.486 58.740 61.300 -0.124 0.000 1.089 831 I CB 0.758 38.742 38.000 -0.025 0.000 1.601 831 I HN 0.212 nan 8.210 nan 0.000 0.573 832 P HA -0.090 nan 4.420 nan 0.000 0.220 832 P C 0.993 178.262 177.300 -0.051 0.000 1.148 832 P CA 1.347 64.372 63.100 -0.124 0.000 0.803 832 P CB 0.581 32.175 31.700 -0.176 0.000 0.782 833 S N -3.697 111.980 115.700 -0.039 0.000 2.551 833 S HA 0.439 4.909 4.470 -0.001 0.000 0.276 833 S C 0.532 175.223 174.600 0.152 0.000 1.051 833 S CA 0.262 58.497 58.200 0.058 0.000 1.377 833 S CB 0.296 63.556 63.200 0.099 0.000 1.208 833 S HN 0.345 nan 8.310 nan 0.000 0.656 834 G N 1.634 110.529 108.800 0.158 0.000 2.547 834 G HA2 0.580 4.539 3.960 -0.001 0.000 0.291 834 G HA3 0.580 4.539 3.960 -0.001 0.000 0.291 834 G C -1.428 173.726 174.900 0.423 0.000 1.471 834 G CA -0.483 44.838 45.100 0.368 0.000 0.798 834 G HN 0.857 nan 8.290 nan 0.000 0.504 835 M N -0.418 119.441 119.600 0.432 0.000 2.520 835 M HA 0.892 5.372 4.480 -0.001 0.000 0.280 835 M C -1.746 174.779 176.300 0.374 0.000 1.232 835 M CA -1.021 54.486 55.300 0.345 0.000 0.892 835 M CB 2.557 35.278 32.600 0.202 0.000 1.728 835 M HN 1.162 nan 8.290 nan 0.000 0.475 836 F N 0.878 120.977 119.950 0.248 0.000 2.668 836 F HA 0.903 5.429 4.527 -0.001 0.000 0.309 836 F C -1.887 174.049 175.800 0.227 0.000 1.117 836 F CA -1.228 56.858 58.000 0.144 0.000 0.951 836 F CB 1.075 40.072 39.000 -0.005 0.000 1.323 836 F HN 0.779 nan 8.300 nan 0.000 0.451 837 I N -0.158 120.648 120.570 0.394 0.000 2.785 837 I HA 0.888 5.058 4.170 -0.001 0.000 0.302 837 I C -1.395 174.911 176.117 0.314 0.000 1.069 837 I CA -0.891 60.604 61.300 0.324 0.000 1.045 837 I CB 2.407 40.514 38.000 0.178 0.000 1.236 837 I HN 0.937 nan 8.210 nan 0.000 0.429 838 E N 2.129 122.499 120.200 0.283 0.000 2.412 838 E HA 0.561 4.910 4.350 -0.001 0.000 0.279 838 E C -2.030 174.654 176.600 0.140 0.000 0.984 838 E CA -0.853 55.654 56.400 0.179 0.000 0.788 838 E CB 2.215 32.009 29.700 0.156 0.000 1.277 838 E HN 0.726 nan 8.360 nan 0.000 0.455 839 D N 0.633 121.085 120.400 0.086 0.000 2.726 839 D HA 0.460 5.100 4.640 -0.001 0.000 0.241 839 D C 0.861 177.192 176.300 0.051 0.000 1.150 839 D CA -0.211 53.833 54.000 0.072 0.000 1.089 839 D CB -0.059 40.775 40.800 0.057 0.000 1.260 839 D HN 0.446 nan 8.370 nan 0.000 0.637 840 A N -0.794 122.050 122.820 0.039 0.000 2.019 840 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 840 A C 1.493 179.083 177.584 0.009 0.000 1.164 840 A CA 1.378 53.430 52.037 0.025 0.000 0.644 840 A CB -0.686 18.327 19.000 0.022 0.000 0.805 840 A HN 0.504 nan 8.150 nan 0.000 0.449 841 N N -1.620 117.085 118.700 0.007 0.000 2.397 841 N HA 0.065 4.804 4.740 -0.001 0.000 0.190 841 N C -0.422 175.078 175.510 -0.017 0.000 1.099 841 N CA 0.705 53.751 53.050 -0.007 0.000 0.876 841 N CB 0.658 39.142 38.487 -0.004 0.000 1.143 841 N HN 0.302 nan 8.380 nan 0.000 0.468 842 T N 0.597 115.146 114.554 -0.007 0.000 2.876 842 T HA 0.462 4.811 4.350 -0.001 0.000 0.289 842 T C -0.510 174.183 174.700 -0.012 0.000 1.014 842 T CA -0.650 61.439 62.100 -0.018 0.000 0.986 842 T CB 2.875 71.737 68.868 -0.010 0.000 1.021 842 T HN -0.030 nan 8.240 nan 0.000 0.458 843 R N 1.826 122.302 120.500 -0.040 0.000 2.686 843 R HA 0.742 5.081 4.340 -0.001 0.000 0.283 843 R C -1.989 174.289 176.300 -0.037 0.000 0.978 843 R CA -0.914 55.164 56.100 -0.036 0.000 0.897 843 R CB 1.283 31.496 30.300 -0.145 0.000 1.192 843 R HN 0.454 nan 8.270 nan 0.000 0.457 844 L N 2.626 123.859 121.223 0.017 0.000 2.372 844 L HA 0.488 4.828 4.340 -0.001 0.000 0.274 844 L C -1.374 175.540 176.870 0.073 0.000 0.988 844 L CA 0.076 54.919 54.840 0.006 0.000 0.833 844 L CB 2.249 44.299 42.059 -0.015 0.000 1.236 844 L HN 0.651 nan 8.230 nan 0.000 0.410 845 T N 5.625 120.202 114.554 0.038 0.000 2.797 845 T HA 0.571 4.921 4.350 -0.001 0.000 0.279 845 T C -1.012 173.756 174.700 0.114 0.000 0.991 845 T CA -0.285 61.880 62.100 0.109 0.000 0.979 845 T CB 1.419 70.277 68.868 -0.016 0.000 0.943 845 T HN 0.443 nan 8.240 nan 0.000 0.444 846 L N 5.108 126.434 121.223 0.172 0.000 2.298 846 L HA 0.551 4.891 4.340 -0.001 0.000 0.284 846 L C -1.332 175.688 176.870 0.250 0.000 1.013 846 L CA -0.701 54.250 54.840 0.185 0.000 0.824 846 L CB 0.554 42.702 42.059 0.148 0.000 1.221 846 L HN 0.406 nan 8.230 nan 0.000 0.418 847 L N 3.753 125.128 121.223 0.253 0.000 2.334 847 L HA 0.689 5.028 4.340 -0.001 0.000 0.275 847 L C 0.482 177.505 176.870 0.255 0.000 1.036 847 L CA -0.284 54.701 54.840 0.242 0.000 0.807 847 L CB 1.580 43.747 42.059 0.180 0.000 1.231 847 L HN 0.776 nan 8.230 nan 0.000 0.438 848 T N -2.579 112.072 114.554 0.161 0.000 2.907 848 T HA 0.626 4.976 4.350 -0.001 0.000 0.292 848 T C 0.591 175.247 174.700 -0.073 0.000 1.043 848 T CA -0.271 61.828 62.100 -0.001 0.000 1.003 848 T CB 1.937 70.813 68.868 0.013 0.000 1.084 848 T HN 0.668 nan 8.240 nan 0.000 0.483 849 G N 1.102 109.782 108.800 -0.201 0.000 3.337 849 G HA2 0.434 4.394 3.960 -0.001 0.000 0.246 849 G HA3 0.434 4.394 3.960 -0.001 0.000 0.246 849 G C 0.136 174.972 174.900 -0.106 0.000 1.131 849 G CA -0.313 44.712 45.100 -0.126 0.000 0.773 849 G HN 0.966 nan 8.290 nan 0.000 0.544 850 Q N -0.215 119.516 119.800 -0.115 0.000 2.479 850 Q HA 0.291 4.631 4.340 -0.001 0.000 0.276 850 Q C -3.560 172.402 176.000 -0.063 0.000 0.989 850 Q CA -2.163 53.596 55.803 -0.072 0.000 0.864 850 Q CB 1.817 30.526 28.738 -0.048 0.000 1.444 850 Q HN 0.006 nan 8.270 nan 0.000 0.388 851 P HA 0.483 nan 4.420 nan 0.000 0.281 851 P C -0.706 176.581 177.300 -0.023 0.000 1.252 851 P CA -0.186 62.895 63.100 -0.031 0.000 0.778 851 P CB 1.060 32.745 31.700 -0.024 0.000 0.895 852 L N 1.617 122.822 121.223 -0.029 0.000 2.403 852 L HA 0.688 5.027 4.340 -0.001 0.000 0.253 852 L C 0.731 177.620 176.870 0.032 0.000 1.045 852 L CA -1.128 53.719 54.840 0.011 0.000 0.845 852 L CB 2.052 44.104 42.059 -0.011 0.000 1.447 852 L HN 0.343 nan 8.230 nan 0.000 0.411 853 G N -1.052 107.824 108.800 0.126 0.000 2.425 853 G HA2 0.701 4.660 3.960 -0.001 0.000 0.302 853 G HA3 0.701 4.660 3.960 -0.001 0.000 0.302 853 G C -0.527 174.392 174.900 0.032 0.000 1.159 853 G CA 0.077 45.303 45.100 0.212 0.000 0.865 853 G HN 0.881 nan 8.290 nan 0.000 0.515 854 G N -1.484 107.138 108.800 -0.296 0.000 2.548 854 G HA2 0.701 4.660 3.960 -0.001 0.000 0.301 854 G HA3 0.701 4.660 3.960 -0.001 0.000 0.301 854 G C -1.106 173.321 174.900 -0.788 0.000 1.349 854 G CA 0.516 45.233 45.100 -0.638 0.000 0.792 854 G HN 1.406 nan 8.290 nan 0.000 0.481 855 S N -2.037 113.299 115.700 -0.607 0.000 2.669 855 S HA 0.683 5.152 4.470 -0.001 0.000 0.266 855 S C -1.666 172.503 174.600 -0.719 0.000 1.149 855 S CA 0.448 58.300 58.200 -0.581 0.000 0.842 855 S CB 1.118 64.048 63.200 -0.450 0.000 1.160 855 S HN 1.664 nan 8.310 nan 0.000 0.487 856 S N 1.587 116.580 115.700 -1.179 0.000 2.664 856 S HA 0.481 4.951 4.470 -0.001 0.000 0.262 856 S C 0.179 174.503 174.600 -0.461 0.000 1.229 856 S CA -0.643 57.102 58.200 -0.758 0.000 1.151 856 S CB -0.030 62.658 63.200 -0.852 0.000 1.054 856 S HN 0.572 nan 8.310 nan 0.000 0.483 857 L N 3.030 124.135 121.223 -0.197 0.000 2.558 857 L HA 0.478 4.818 4.340 -0.001 0.000 0.225 857 L C 0.870 177.726 176.870 -0.023 0.000 1.128 857 L CA 0.291 55.099 54.840 -0.052 0.000 0.868 857 L CB -0.032 42.059 42.059 0.054 0.000 1.006 857 L HN 0.699 nan 8.230 nan 0.000 0.454 858 A N -1.198 121.595 122.820 -0.044 0.000 2.589 858 A HA 0.436 4.756 4.320 -0.001 0.000 0.296 858 A C -0.386 177.190 177.584 -0.013 0.000 1.062 858 A CA -0.451 51.579 52.037 -0.011 0.000 0.686 858 A CB 1.196 20.197 19.000 0.002 0.000 1.282 858 A HN -0.135 nan 8.150 nan 0.000 0.404 859 S N 0.093 115.799 115.700 0.011 0.000 2.573 859 S HA 0.382 4.851 4.470 -0.001 0.000 0.297 859 S C 1.569 176.184 174.600 0.025 0.000 1.280 859 S CA 2.009 60.223 58.200 0.025 0.000 1.061 859 S CB -0.071 63.147 63.200 0.029 0.000 0.812 859 S HN 2.669 nan 8.310 nan 0.000 0.500 860 G N 3.381 112.201 108.800 0.033 0.000 2.184 860 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.264 860 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.264 860 G C -0.159 174.742 174.900 0.001 0.000 0.975 860 G CA 0.579 45.702 45.100 0.037 0.000 0.642 860 G HN 0.734 nan 8.290 nan 0.000 0.536 861 E N -0.678 119.505 120.200 -0.028 0.000 2.235 861 E HA 0.810 5.160 4.350 -0.001 0.000 0.265 861 E C -0.265 176.271 176.600 -0.107 0.000 0.940 861 E CA -0.828 55.533 56.400 -0.065 0.000 0.819 861 E CB 1.912 31.574 29.700 -0.063 0.000 1.206 861 E HN 0.228 nan 8.360 nan 0.000 0.409 862 L N 1.379 122.534 121.223 -0.114 0.000 2.445 862 L HA 0.459 4.799 4.340 -0.001 0.000 0.262 862 L C -0.843 175.957 176.870 -0.117 0.000 0.974 862 L CA -0.654 54.108 54.840 -0.129 0.000 0.822 862 L CB 2.177 44.192 42.059 -0.074 0.000 1.339 862 L HN 0.680 nan 8.230 nan 0.000 0.409 863 E N 2.921 123.045 120.200 -0.127 0.000 2.390 863 E HA 0.730 5.079 4.350 -0.001 0.000 0.277 863 E C -1.549 175.004 176.600 -0.077 0.000 0.939 863 E CA -0.856 55.501 56.400 -0.071 0.000 0.769 863 E CB 3.416 33.123 29.700 0.011 0.000 1.251 863 E HN 0.534 nan 8.360 nan 0.000 0.450 864 I N 2.097 122.661 120.570 -0.011 0.000 2.610 864 I HA 0.317 4.486 4.170 -0.001 0.000 0.289 864 I C -1.459 174.725 176.117 0.111 0.000 1.163 864 I CA -1.111 60.203 61.300 0.023 0.000 1.044 864 I CB 1.959 39.978 38.000 0.032 0.000 1.251 864 I HN 0.802 nan 8.210 nan 0.000 0.424 865 M N 6.341 126.046 119.600 0.174 0.000 2.238 865 M HA 0.213 4.692 4.480 -0.001 0.000 0.347 865 M C 0.564 176.968 176.300 0.174 0.000 1.173 865 M CA 0.671 56.082 55.300 0.185 0.000 1.147 865 M CB 0.895 33.574 32.600 0.130 0.000 1.547 865 M HN 0.585 nan 8.290 nan 0.000 0.455 866 Q N 1.435 121.374 119.800 0.231 0.000 2.304 866 Q HA 0.254 4.593 4.340 -0.001 0.000 0.204 866 Q C -0.285 175.932 176.000 0.361 0.000 0.936 866 Q CA 0.792 56.802 55.803 0.344 0.000 0.878 866 Q CB 0.402 29.374 28.738 0.391 0.000 0.983 866 Q HN 0.760 nan 8.270 nan 0.000 0.516 867 D N -0.828 119.712 120.400 0.232 0.000 2.653 867 D HA 0.282 4.922 4.640 -0.001 0.000 0.258 867 D C -1.413 174.963 176.300 0.126 0.000 1.252 867 D CA -0.468 53.645 54.000 0.188 0.000 0.777 867 D CB 1.516 42.416 40.800 0.167 0.000 1.339 867 D HN 0.039 nan 8.370 nan 0.000 0.422 868 R N 0.809 121.371 120.500 0.104 0.000 2.584 868 R HA 0.701 5.041 4.340 -0.001 0.000 0.276 868 R C -1.059 175.289 176.300 0.079 0.000 1.046 868 R CA -1.067 55.077 56.100 0.074 0.000 0.906 868 R CB 2.184 32.497 30.300 0.022 0.000 1.215 868 R HN 0.318 nan 8.270 nan 0.000 0.449 869 R N 3.668 124.213 120.500 0.075 0.000 2.483 869 R HA 0.446 4.786 4.340 -0.001 0.000 0.303 869 R C -1.471 174.867 176.300 0.063 0.000 0.987 869 R CA -0.563 55.578 56.100 0.069 0.000 0.881 869 R CB 1.267 31.606 30.300 0.064 0.000 1.177 869 R HN 0.708 nan 8.270 nan 0.000 0.451 870 L N 4.009 125.268 121.223 0.059 0.000 2.356 870 L HA 0.542 4.881 4.340 -0.001 0.000 0.277 870 L C 0.798 177.695 176.870 0.046 0.000 0.996 870 L CA -0.582 54.290 54.840 0.054 0.000 0.822 870 L CB 2.115 44.207 42.059 0.054 0.000 1.256 870 L HN 0.801 nan 8.230 nan 0.000 0.413 871 A N 1.671 124.514 122.820 0.039 0.000 2.123 871 A HA 0.171 4.491 4.320 -0.001 0.000 0.214 871 A C 0.947 178.548 177.584 0.028 0.000 1.152 871 A CA 0.566 52.622 52.037 0.032 0.000 0.728 871 A CB 0.035 19.050 19.000 0.025 0.000 0.814 871 A HN 0.620 nan 8.150 nan 0.000 0.464 872 S N -0.270 115.448 115.700 0.030 0.000 2.638 872 S HA 0.431 4.900 4.470 -0.001 0.000 0.298 872 S C -0.689 173.932 174.600 0.034 0.000 1.111 872 S CA -0.659 57.557 58.200 0.027 0.000 1.027 872 S CB 1.497 64.709 63.200 0.020 0.000 1.064 872 S HN 0.481 nan 8.310 nan 0.000 0.525 873 D N 0.226 120.646 120.400 0.034 0.000 2.304 873 D HA 0.254 4.893 4.640 -0.001 0.000 0.247 873 D C -0.244 176.078 176.300 0.037 0.000 1.089 873 D CA -0.457 53.571 54.000 0.047 0.000 0.910 873 D CB 0.708 41.533 40.800 0.043 0.000 1.199 873 D HN 0.486 nan 8.370 nan 0.000 0.426 874 D N 1.934 122.362 120.400 0.047 0.000 2.525 874 D HA 0.069 4.708 4.640 -0.001 0.000 0.229 874 D C -0.370 175.902 176.300 -0.046 0.000 1.202 874 D CA -0.311 53.688 54.000 -0.002 0.000 0.828 874 D CB -0.477 40.314 40.800 -0.016 0.000 1.008 874 D HN 0.676 nan 8.370 nan 0.000 0.493 875 E N -0.242 119.952 120.200 -0.010 0.000 2.586 875 E HA -0.231 4.118 4.350 -0.001 0.000 0.259 875 E C 0.323 176.894 176.600 -0.049 0.000 1.107 875 E CA 0.205 56.596 56.400 -0.015 0.000 0.754 875 E CB -0.627 29.062 29.700 -0.018 0.000 1.335 875 E HN 0.213 nan 8.360 nan 0.000 0.411 876 R N -0.722 119.722 120.500 -0.092 0.000 2.509 876 R HA 0.205 4.545 4.340 -0.001 0.000 0.300 876 R C 1.392 177.748 176.300 0.093 0.000 0.985 876 R CA 0.730 56.702 56.100 -0.213 0.000 1.092 876 R CB 1.054 30.788 30.300 -0.945 0.000 1.237 876 R HN 0.409 nan 8.270 nan 0.000 0.546 877 G N 0.640 109.566 108.800 0.210 0.000 2.218 877 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.216 877 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.216 877 G C 0.733 175.728 174.900 0.158 0.000 0.994 877 G CA 0.181 45.481 45.100 0.333 0.000 0.637 877 G HN 0.276 nan 8.290 nan 0.000 0.505 878 L N 1.636 123.047 121.223 0.314 0.000 2.141 878 L HA 0.444 4.784 4.340 -0.001 0.000 0.209 878 L C 2.188 179.047 176.870 -0.018 0.000 1.094 878 L CA 2.623 57.539 54.840 0.128 0.000 0.763 878 L CB -0.596 41.690 42.059 0.378 0.000 0.908 878 L HN 1.688 nan 8.230 nan 0.000 0.437 879 G N -0.336 108.486 108.800 0.035 0.000 2.198 879 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.260 879 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.260 879 G C 0.067 174.975 174.900 0.014 0.000 1.025 879 G CA 0.683 45.786 45.100 0.006 0.000 0.769 879 G HN 0.794 nan 8.290 nan 0.000 0.507 880 Q N -2.269 117.555 119.800 0.039 0.000 2.702 880 Q HA 0.660 5.000 4.340 -0.001 0.000 0.289 880 Q C 0.336 176.367 176.000 0.052 0.000 0.923 880 Q CA -0.592 55.233 55.803 0.037 0.000 0.787 880 Q CB 0.372 29.130 28.738 0.032 0.000 1.476 880 Q HN 0.972 nan 8.270 nan 0.000 0.402 881 G N 0.067 108.894 108.800 0.045 0.000 2.574 881 G HA2 0.541 4.501 3.960 -0.001 0.000 0.248 881 G HA3 0.541 4.501 3.960 -0.001 0.000 0.248 881 G C -0.979 173.952 174.900 0.052 0.000 1.422 881 G CA -0.634 44.495 45.100 0.048 0.000 1.051 881 G HN 0.422 nan 8.290 nan 0.000 0.560 882 V N 0.843 120.789 119.914 0.054 0.000 2.305 882 V HA 0.351 4.471 4.120 -0.001 0.000 0.275 882 V C -0.012 176.120 176.094 0.063 0.000 1.020 882 V CA -0.156 62.182 62.300 0.064 0.000 0.811 882 V CB 0.956 32.821 31.823 0.069 0.000 1.031 882 V HN 0.528 nan 8.190 nan 0.000 0.439 883 L N 3.529 124.787 121.223 0.059 0.000 3.267 883 L HA 0.334 4.673 4.340 -0.001 0.000 0.289 883 L C 0.528 177.429 176.870 0.051 0.000 1.260 883 L CA 0.018 54.889 54.840 0.051 0.000 1.034 883 L CB 0.709 42.792 42.059 0.040 0.000 1.413 883 L HN 0.671 nan 8.230 nan 0.000 0.594 884 D N -2.265 118.174 120.400 0.065 0.000 2.559 884 D HA 0.063 4.702 4.640 -0.001 0.000 0.234 884 D C 0.143 176.488 176.300 0.074 0.000 1.226 884 D CA -0.460 53.580 54.000 0.065 0.000 0.830 884 D CB -0.356 40.489 40.800 0.075 0.000 1.028 884 D HN 0.076 nan 8.370 nan 0.000 0.492 885 N N 1.683 120.425 118.700 0.071 0.000 2.374 885 N HA 0.126 4.865 4.740 -0.001 0.000 0.241 885 N C 0.197 175.720 175.510 0.023 0.000 1.262 885 N CA 0.324 53.416 53.050 0.071 0.000 0.880 885 N CB 0.660 39.187 38.487 0.067 0.000 1.105 885 N HN 0.316 nan 8.380 nan 0.000 0.438 886 K N -0.645 119.753 120.400 -0.003 0.000 2.536 886 K HA 0.545 4.865 4.320 -0.001 0.000 0.269 886 K C -3.267 173.301 176.600 -0.053 0.000 0.965 886 K CA -2.007 54.231 56.287 -0.081 0.000 0.860 886 K CB 1.205 33.568 32.500 -0.229 0.000 1.423 886 K HN 0.123 nan 8.250 nan 0.000 0.438 887 P HA -0.034 nan 4.420 nan 0.000 0.262 887 P C -1.027 176.288 177.300 0.025 0.000 1.182 887 P CA -0.387 62.691 63.100 -0.037 0.000 0.761 887 P CB 0.713 32.380 31.700 -0.054 0.000 0.795 888 V N 5.161 125.061 119.914 -0.023 0.000 2.841 888 V HA 0.497 4.616 4.120 -0.001 0.000 0.310 888 V C -1.376 174.596 176.094 -0.204 0.000 1.090 888 V CA -1.104 61.169 62.300 -0.045 0.000 0.930 888 V CB 2.140 33.923 31.823 -0.066 0.000 1.014 888 V HN 0.284 nan 8.190 nan 0.000 0.425 889 L N 6.854 127.982 121.223 -0.158 0.000 2.272 889 L HA 0.604 4.943 4.340 -0.001 0.000 0.284 889 L C -0.430 176.420 176.870 -0.033 0.000 1.045 889 L CA 0.126 54.902 54.840 -0.107 0.000 0.842 889 L CB 0.352 42.367 42.059 -0.072 0.000 1.224 889 L HN 0.713 nan 8.230 nan 0.000 0.430 890 H N 5.638 124.726 119.070 0.030 0.000 2.525 890 H HA 0.500 5.056 4.556 -0.001 0.000 0.339 890 H C -0.104 175.132 175.328 -0.153 0.000 1.109 890 H CA -0.192 55.824 56.048 -0.054 0.000 1.352 890 H CB 1.276 31.082 29.762 0.073 0.000 1.461 890 H HN 0.703 nan 8.280 nan 0.000 0.533 891 I N 0.142 120.542 120.570 -0.282 0.000 2.785 891 I HA 0.621 4.791 4.170 -0.001 0.000 0.302 891 I C -1.420 174.317 176.117 -0.635 0.000 1.069 891 I CA -0.949 60.193 61.300 -0.264 0.000 1.045 891 I CB 2.204 40.151 38.000 -0.089 0.000 1.236 891 I HN 0.244 nan 8.210 nan 0.000 0.429 892 Y N 2.156 122.504 120.300 0.080 0.000 2.670 892 Y HA 0.697 5.246 4.550 -0.001 0.000 0.334 892 Y C -0.679 175.273 175.900 0.088 0.000 1.185 892 Y CA -1.104 57.050 58.100 0.091 0.000 1.053 892 Y CB 1.476 40.011 38.460 0.124 0.000 1.298 892 Y HN 0.413 nan 8.280 nan 0.000 0.459 893 R N 1.382 122.050 120.500 0.279 0.000 2.621 893 R HA 0.588 4.928 4.340 -0.001 0.000 0.292 893 R C -1.929 174.487 176.300 0.195 0.000 0.969 893 R CA -1.089 55.125 56.100 0.189 0.000 0.887 893 R CB 2.542 32.912 30.300 0.117 0.000 1.180 893 R HN 0.659 nan 8.270 nan 0.000 0.450 894 L N 2.816 124.135 121.223 0.160 0.000 2.316 894 L HA 0.439 4.779 4.340 -0.001 0.000 0.280 894 L C -1.182 175.721 176.870 0.055 0.000 1.006 894 L CA -0.551 54.358 54.840 0.115 0.000 0.836 894 L CB 1.759 43.897 42.059 0.132 0.000 1.221 894 L HN 0.307 nan 8.230 nan 0.000 0.418 895 V N 6.226 126.156 119.914 0.027 0.000 2.350 895 V HA 0.417 4.536 4.120 -0.001 0.000 0.285 895 V C -0.369 175.703 176.094 -0.036 0.000 1.014 895 V CA -0.581 61.715 62.300 -0.007 0.000 0.831 895 V CB 1.409 33.220 31.823 -0.019 0.000 1.000 895 V HN 0.644 nan 8.190 nan 0.000 0.433 896 L N 5.414 126.611 121.223 -0.044 0.000 2.282 896 L HA 0.712 5.051 4.340 -0.001 0.000 0.288 896 L C -0.194 176.639 176.870 -0.062 0.000 1.033 896 L CA 0.607 55.413 54.840 -0.058 0.000 0.807 896 L CB 1.180 43.201 42.059 -0.063 0.000 1.209 896 L HN 0.746 nan 8.230 nan 0.000 0.423 897 E N 3.645 123.801 120.200 -0.073 0.000 2.383 897 E HA 0.452 4.802 4.350 -0.001 0.000 0.275 897 E C -1.292 175.264 176.600 -0.073 0.000 0.918 897 E CA -1.198 55.155 56.400 -0.078 0.000 0.764 897 E CB 1.547 31.185 29.700 -0.105 0.000 1.252 897 E HN 0.264 nan 8.360 nan 0.000 0.449 898 K N 1.358 121.719 120.400 -0.066 0.000 2.234 898 K HA 0.211 4.530 4.320 -0.001 0.000 0.282 898 K C 0.391 176.950 176.600 -0.069 0.000 1.039 898 K CA -0.227 56.026 56.287 -0.057 0.000 0.928 898 K CB 1.273 33.744 32.500 -0.048 0.000 1.039 898 K HN 0.479 nan 8.250 nan 0.000 0.470 899 V N -0.672 119.202 119.914 -0.067 0.000 3.253 899 V HA 0.023 4.143 4.120 -0.001 0.000 0.320 899 V C 1.127 177.186 176.094 -0.058 0.000 1.442 899 V CA -0.305 61.947 62.300 -0.081 0.000 1.097 899 V CB -0.305 31.452 31.823 -0.109 0.000 1.008 899 V HN 0.618 nan 8.190 nan 0.000 0.463 900 N N 1.346 120.021 118.700 -0.042 0.000 2.364 900 N HA -0.163 4.577 4.740 -0.001 0.000 0.183 900 N C 1.008 176.499 175.510 -0.032 0.000 1.022 900 N CA 1.506 54.539 53.050 -0.029 0.000 0.883 900 N CB -0.491 37.983 38.487 -0.021 0.000 0.965 900 N HN 0.537 nan 8.380 nan 0.000 0.438 901 N N 0.093 118.769 118.700 -0.040 0.000 2.336 901 N HA 0.068 4.807 4.740 -0.001 0.000 0.189 901 N C -0.250 175.230 175.510 -0.049 0.000 1.113 901 N CA -0.093 52.933 53.050 -0.040 0.000 0.858 901 N CB 0.088 38.551 38.487 -0.039 0.000 0.970 901 N HN 0.214 nan 8.380 nan 0.000 0.471 902 c N 1.260 119.824 118.600 -0.059 0.000 2.601 902 c HA 0.251 4.820 4.570 -0.001 0.000 0.409 902 c C 1.068 175.121 174.090 -0.061 0.000 1.293 902 c CA -0.910 55.376 56.329 -0.072 0.000 2.101 902 c CB 0.753 43.205 42.510 -0.097 0.000 2.639 902 c HN 0.009 nan 8.230 nan 0.000 0.592 903 V N 5.559 125.433 119.914 -0.067 0.000 2.356 903 V HA 0.208 4.328 4.120 -0.001 0.000 0.258 903 V C 0.648 176.706 176.094 -0.061 0.000 1.065 903 V CA 0.321 62.587 62.300 -0.057 0.000 0.935 903 V CB -0.664 31.121 31.823 -0.063 0.000 1.061 903 V HN 0.791 nan 8.190 nan 0.000 0.484 904 R N 4.590 125.066 120.500 -0.039 0.000 2.674 904 R HA 0.538 4.878 4.340 -0.001 0.000 0.266 904 R C -2.400 173.898 176.300 -0.004 0.000 1.016 904 R CA -1.791 54.295 56.100 -0.024 0.000 1.062 904 R CB 0.984 31.273 30.300 -0.018 0.000 1.142 904 R HN 0.396 nan 8.270 nan 0.000 0.517 905 P HA -0.021 nan 4.420 nan 0.000 0.271 905 P C -0.452 176.893 177.300 0.075 0.000 1.233 905 P CA -0.270 62.822 63.100 -0.012 0.000 0.789 905 P CB 0.616 32.226 31.700 -0.150 0.000 0.951 906 S N 0.584 116.359 115.700 0.124 0.000 2.608 906 S HA 0.119 4.588 4.470 -0.001 0.000 0.261 906 S C 1.143 175.827 174.600 0.141 0.000 1.314 906 S CA -0.224 58.047 58.200 0.118 0.000 0.992 906 S CB 0.334 63.602 63.200 0.114 0.000 0.935 906 S HN 0.300 nan 8.310 nan 0.000 0.564 907 K N 0.133 120.597 120.400 0.106 0.000 2.160 907 K HA -0.031 4.288 4.320 -0.001 0.000 0.206 907 K C 1.527 178.185 176.600 0.097 0.000 1.047 907 K CA 1.498 57.843 56.287 0.098 0.000 0.930 907 K CB -0.602 31.939 32.500 0.068 0.000 0.720 907 K HN 0.572 nan 8.250 nan 0.000 0.450 908 L N -0.077 121.205 121.223 0.097 0.000 2.591 908 L HA 0.039 4.379 4.340 -0.001 0.000 0.228 908 L C 1.068 177.988 176.870 0.084 0.000 1.133 908 L CA -0.212 54.669 54.840 0.069 0.000 0.880 908 L CB -0.318 41.767 42.059 0.043 0.000 1.033 908 L HN 0.223 nan 8.230 nan 0.000 0.450 909 H N 3.199 122.308 119.070 0.065 0.000 2.764 909 H HA 0.093 4.648 4.556 -0.001 0.000 0.341 909 H C -1.606 173.764 175.328 0.069 0.000 1.072 909 H CA -1.369 54.731 56.048 0.086 0.000 1.444 909 H CB 1.816 31.657 29.762 0.132 0.000 1.458 909 H HN -0.069 nan 8.280 nan 0.000 0.572 910 P HA 0.124 nan 4.420 nan 0.000 0.249 910 P C -0.274 177.133 177.300 0.180 0.000 1.229 910 P CA 0.172 63.312 63.100 0.067 0.000 0.788 910 P CB 0.551 32.216 31.700 -0.059 0.000 1.072 911 A N -0.259 122.844 122.820 0.472 0.000 2.288 911 A HA 0.758 5.077 4.320 -0.001 0.000 0.328 911 A C 0.196 177.844 177.584 0.106 0.000 1.123 911 A CA -0.324 51.855 52.037 0.237 0.000 0.861 911 A CB 1.122 20.253 19.000 0.219 0.000 1.272 911 A HN 0.168 nan 8.150 nan 0.000 0.490 912 G N -1.476 107.250 108.800 -0.123 0.000 2.642 912 G HA2 0.631 4.590 3.960 -0.001 0.000 0.293 912 G HA3 0.631 4.590 3.960 -0.001 0.000 0.293 912 G C -1.805 172.699 174.900 -0.659 0.000 1.341 912 G CA -0.405 44.548 45.100 -0.244 0.000 0.916 912 G HN 0.548 nan 8.290 nan 0.000 0.474 913 Y N -0.695 119.562 120.300 -0.072 0.000 2.492 913 Y HA 0.479 5.029 4.550 -0.001 0.000 0.346 913 Y C 0.411 176.061 175.900 -0.416 0.000 0.997 913 Y CA -0.930 57.061 58.100 -0.182 0.000 1.025 913 Y CB 2.145 40.490 38.460 -0.192 0.000 1.263 913 Y HN 0.330 nan 8.280 nan 0.000 0.454 914 L N 2.086 123.134 121.223 -0.290 0.000 2.472 914 L HA 0.349 4.688 4.340 -0.001 0.000 0.260 914 L C 0.670 177.385 176.870 -0.260 0.000 1.209 914 L CA -0.478 54.116 54.840 -0.411 0.000 0.817 914 L CB 0.737 42.634 42.059 -0.270 0.000 1.106 914 L HN 0.766 nan 8.230 nan 0.000 0.479 915 T N -2.736 111.659 114.554 -0.266 0.000 2.847 915 T HA 0.068 4.418 4.350 -0.001 0.000 0.279 915 T C 1.109 175.753 174.700 -0.094 0.000 0.984 915 T CA -0.179 61.813 62.100 -0.179 0.000 0.988 915 T CB 1.532 70.292 68.868 -0.180 0.000 1.040 915 T HN 0.623 nan 8.240 nan 0.000 0.528 916 S N 0.537 116.195 115.700 -0.069 0.000 2.370 916 S HA -0.138 4.332 4.470 -0.001 0.000 0.226 916 S C 2.333 176.945 174.600 0.020 0.000 1.033 916 S CA 1.390 59.584 58.200 -0.011 0.000 1.011 916 S CB -1.219 61.960 63.200 -0.035 0.000 0.852 916 S HN 0.919 nan 8.310 nan 0.000 0.457 917 A N 1.153 123.961 122.820 -0.020 0.000 1.933 917 A HA 0.262 4.582 4.320 -0.001 0.000 0.218 917 A C 2.465 180.046 177.584 -0.004 0.000 1.175 917 A CA 1.797 53.827 52.037 -0.012 0.000 0.628 917 A CB -1.294 17.689 19.000 -0.029 0.000 0.814 917 A HN 0.824 nan 8.150 nan 0.000 0.444 918 A N -1.434 121.370 122.820 -0.027 0.000 1.929 918 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 918 A C 2.101 179.716 177.584 0.052 0.000 1.176 918 A CA 1.520 53.545 52.037 -0.019 0.000 0.628 918 A CB -0.875 18.058 19.000 -0.112 0.000 0.816 918 A HN 0.772 nan 8.150 nan 0.000 0.444 919 H N 0.093 119.149 119.070 -0.023 0.000 2.326 919 H HA -0.046 4.510 4.556 -0.001 0.000 0.301 919 H C 1.824 177.190 175.328 0.062 0.000 1.081 919 H CA 1.810 57.881 56.048 0.039 0.000 1.334 919 H CB -0.049 29.729 29.762 0.027 0.000 1.385 919 H HN 0.430 nan 8.280 nan 0.000 0.504 920 K N 0.266 120.649 120.400 -0.028 0.000 2.097 920 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 920 K C 2.411 178.983 176.600 -0.047 0.000 1.049 920 K CA 0.913 57.160 56.287 -0.067 0.000 0.933 920 K CB -0.071 32.435 32.500 0.010 0.000 0.717 920 K HN 0.273 nan 8.250 nan 0.000 0.442 921 A N 0.901 123.715 122.820 -0.009 0.000 1.908 921 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 921 A C 2.220 179.810 177.584 0.011 0.000 1.181 921 A CA 2.140 54.184 52.037 0.013 0.000 0.627 921 A CB -0.726 18.295 19.000 0.035 0.000 0.818 921 A HN 0.295 nan 8.150 nan 0.000 0.445 922 S N -0.720 114.989 115.700 0.015 0.000 2.368 922 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 922 S C 2.149 176.738 174.600 -0.018 0.000 1.030 922 S CA 1.719 59.943 58.200 0.040 0.000 0.999 922 S CB -0.420 62.846 63.200 0.110 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.633 120.376 119.800 -0.095 0.000 2.170 923 Q HA -0.097 4.242 4.340 -0.001 0.000 0.203 923 Q C 2.493 178.449 176.000 -0.074 0.000 0.976 923 Q CA 1.702 57.450 55.803 -0.093 0.000 0.858 923 Q CB -0.332 28.329 28.738 -0.128 0.000 0.907 923 Q HN 0.818 nan 8.270 nan 0.000 0.433 924 S N 0.187 115.854 115.700 -0.055 0.000 2.423 924 S HA -0.079 4.390 4.470 -0.001 0.000 0.231 924 S C 1.835 176.390 174.600 -0.075 0.000 1.014 924 S CA 0.701 58.866 58.200 -0.057 0.000 0.965 924 S CB -0.207 62.977 63.200 -0.027 0.000 0.785 924 S HN 0.278 nan 8.310 nan 0.000 0.495 925 L N -0.029 121.158 121.223 -0.059 0.000 2.168 925 L HA 0.246 4.586 4.340 -0.001 0.000 0.203 925 L C 2.515 179.324 176.870 -0.101 0.000 1.078 925 L CA 0.648 55.448 54.840 -0.066 0.000 0.780 925 L CB -0.371 41.667 42.059 -0.034 0.000 0.939 925 L HN 0.271 nan 8.230 nan 0.000 0.451 926 L N -1.038 120.130 121.223 -0.091 0.000 2.209 926 L HA 0.007 4.347 4.340 -0.001 0.000 0.207 926 L C 0.153 176.903 176.870 -0.199 0.000 1.094 926 L CA 0.862 55.634 54.840 -0.114 0.000 0.790 926 L CB 0.086 42.102 42.059 -0.071 0.000 0.932 926 L HN 0.223 nan 8.230 nan 0.000 0.447 927 D N 0.239 120.503 120.400 -0.227 0.000 2.656 927 D HA 0.231 4.870 4.640 -0.001 0.000 0.303 927 D C -2.373 173.709 176.300 -0.362 0.000 1.199 927 D CA -0.958 52.826 54.000 -0.360 0.000 0.797 927 D CB 1.389 42.164 40.800 -0.040 0.000 1.170 927 D HN 0.052 nan 8.370 nan 0.000 0.509 928 P HA 0.154 nan 4.420 nan 0.000 0.274 928 P C 0.548 177.719 177.300 -0.214 0.000 1.256 928 P CA -0.517 62.422 63.100 -0.268 0.000 0.795 928 P CB 1.596 33.153 31.700 -0.238 0.000 1.038 929 L N 0.837 121.988 121.223 -0.119 0.000 2.483 929 L HA 0.101 4.440 4.340 -0.001 0.000 0.276 929 L C 0.930 177.779 176.870 -0.034 0.000 1.213 929 L CA 0.384 55.195 54.840 -0.049 0.000 0.843 929 L CB -0.263 41.782 42.059 -0.023 0.000 1.107 929 L HN 0.283 nan 8.230 nan 0.000 0.487 930 D N 2.782 123.226 120.400 0.073 0.000 2.225 930 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 930 D C -0.382 175.882 176.300 -0.059 0.000 1.052 930 D CA -0.316 53.662 54.000 -0.037 0.000 0.909 930 D CB 1.710 42.541 40.800 0.053 0.000 1.186 930 D HN 0.364 nan 8.370 nan 0.000 0.431 931 K N 1.239 121.463 120.400 -0.293 0.000 2.397 931 K HA 0.488 4.807 4.320 -0.001 0.000 0.253 931 K C -1.077 175.390 176.600 -0.222 0.000 0.932 931 K CA -0.669 55.588 56.287 -0.050 0.000 0.795 931 K CB 1.700 34.157 32.500 -0.072 0.000 1.159 931 K HN 0.227 nan 8.250 nan 0.000 0.424 932 F N 2.500 122.636 119.950 0.311 0.000 2.529 932 F HA 0.487 5.014 4.527 -0.001 0.000 0.320 932 F C -0.039 176.050 175.800 0.482 0.000 1.118 932 F CA -0.873 57.309 58.000 0.304 0.000 0.915 932 F CB 1.288 40.308 39.000 0.034 0.000 1.161 932 F HN 0.201 nan 8.300 nan 0.000 0.445 933 I N 3.590 124.537 120.570 0.628 0.000 2.339 933 I HA 0.215 4.384 4.170 -0.001 0.000 0.290 933 I C -0.504 175.880 176.117 0.445 0.000 0.994 933 I CA -0.827 60.760 61.300 0.479 0.000 1.191 933 I CB 1.135 39.318 38.000 0.305 0.000 1.343 933 I HN 0.437 nan 8.210 nan 0.000 0.458 934 F N 5.923 126.016 119.950 0.238 0.000 2.578 934 F HA 0.203 4.729 4.527 -0.001 0.000 0.376 934 F C 1.181 176.895 175.800 -0.142 0.000 1.085 934 F CA -0.104 57.745 58.000 -0.251 0.000 1.260 934 F CB 1.153 40.055 39.000 -0.163 0.000 1.095 934 F HN 0.583 nan 8.300 nan 0.000 0.573 935 A N 4.191 126.399 122.820 -1.020 0.000 2.178 935 A HA 0.125 4.444 4.320 -0.001 0.000 0.211 935 A C 0.856 178.116 177.584 -0.539 0.000 1.157 935 A CA 0.446 52.114 52.037 -0.616 0.000 0.780 935 A CB -0.304 18.359 19.000 -0.560 0.000 0.828 935 A HN 0.667 nan 8.150 nan 0.000 0.476 936 E N -0.821 118.887 120.200 -0.820 0.000 2.390 936 E HA 0.247 4.597 4.350 -0.001 0.000 0.249 936 E C 0.081 176.756 176.600 0.125 0.000 0.981 936 E CA -0.829 55.429 56.400 -0.237 0.000 0.860 936 E CB 0.270 29.889 29.700 -0.135 0.000 1.278 936 E HN 0.104 nan 8.360 nan 0.000 0.416 937 N N 0.621 119.432 118.700 0.184 0.000 2.216 937 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 937 N C -0.048 175.633 175.510 0.285 0.000 1.017 937 N CA 0.932 54.110 53.050 0.213 0.000 0.861 937 N CB 0.358 38.925 38.487 0.134 0.000 0.986 937 N HN 0.421 nan 8.380 nan 0.000 0.428 938 E N -0.704 119.694 120.200 0.331 0.000 2.275 938 E HA 0.105 4.454 4.350 -0.001 0.000 0.270 938 E C -1.531 175.168 176.600 0.164 0.000 0.882 938 E CA -0.686 55.830 56.400 0.193 0.000 0.758 938 E CB 1.200 30.968 29.700 0.114 0.000 1.195 938 E HN 0.013 nan 8.360 nan 0.000 0.419 939 W N 7.814 128.787 121.300 -0.546 0.000 2.295 939 W HA 0.400 5.060 4.660 -0.001 0.000 0.333 939 W C -1.372 174.932 176.519 -0.358 0.000 0.990 939 W CA -1.428 55.414 57.345 -0.838 0.000 1.453 939 W CB -0.249 28.194 29.460 -1.694 0.000 1.263 939 W HN 0.446 nan 8.180 nan 0.000 0.380 940 I N 5.602 126.251 120.570 0.132 0.000 2.556 940 I HA 0.296 4.466 4.170 -0.001 0.000 0.284 940 I C 1.538 177.650 176.117 -0.008 0.000 1.114 940 I CA 1.322 62.636 61.300 0.022 0.000 1.418 940 I CB 0.630 38.673 38.000 0.073 0.000 1.394 940 I HN 0.768 nan 8.210 nan 0.000 0.552 941 G N 4.117 112.826 108.800 -0.152 0.000 2.143 941 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.249 941 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.249 941 G C 0.452 175.125 174.900 -0.378 0.000 0.981 941 G CA -0.113 44.885 45.100 -0.171 0.000 0.665 941 G HN 1.048 nan 8.290 nan 0.000 0.528 942 A N -0.407 121.903 122.820 -0.850 0.000 2.531 942 A HA 0.535 4.854 4.320 -0.001 0.000 0.236 942 A C 0.583 177.751 177.584 -0.694 0.000 1.062 942 A CA 0.930 52.107 52.037 -1.433 0.000 0.760 942 A CB 0.217 17.944 19.000 -2.122 0.000 0.995 942 A HN 0.655 nan 8.150 nan 0.000 0.501 943 Q N 0.707 120.187 119.800 -0.532 0.000 2.351 943 Q HA 0.522 4.861 4.340 -0.001 0.000 0.273 943 Q C 1.123 177.021 176.000 -0.170 0.000 1.077 943 Q CA -0.248 55.407 55.803 -0.246 0.000 0.843 943 Q CB 1.961 30.623 28.738 -0.126 0.000 1.367 943 Q HN 0.797 nan 8.270 nan 0.000 0.449 944 G N 0.161 108.893 108.800 -0.113 0.000 2.494 944 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.216 944 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.216 944 G C 0.225 175.105 174.900 -0.033 0.000 1.140 944 G CA 0.636 45.684 45.100 -0.086 0.000 0.801 944 G HN 0.445 nan 8.290 nan 0.000 0.536 945 Q N -1.531 118.264 119.800 -0.007 0.000 2.472 945 Q HA 0.526 4.866 4.340 -0.001 0.000 0.281 945 Q C -2.361 173.663 176.000 0.039 0.000 0.997 945 Q CA -0.951 54.861 55.803 0.015 0.000 0.828 945 Q CB 2.195 30.927 28.738 -0.011 0.000 1.443 945 Q HN 0.051 nan 8.270 nan 0.000 0.390 946 F N 1.110 120.964 119.950 -0.160 0.000 2.569 946 F HA 0.637 5.163 4.527 -0.001 0.000 0.312 946 F C 0.455 175.998 175.800 -0.429 0.000 1.109 946 F CA 0.415 58.253 58.000 -0.269 0.000 0.919 946 F CB 2.029 40.879 39.000 -0.250 0.000 1.211 946 F HN 0.679 nan 8.300 nan 0.000 0.446 947 G N 3.088 110.874 108.800 -1.690 0.000 2.141 947 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G C 1.047 175.247 174.900 -1.166 0.000 0.984 947 G CA 0.269 44.080 45.100 -2.148 0.000 0.660 947 G HN 1.594 nan 8.290 nan 0.000 0.525 948 G N 1.155 109.582 108.800 -0.622 0.000 2.479 948 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.220 948 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.220 948 G C 1.231 176.065 174.900 -0.110 0.000 1.115 948 G CA 1.777 46.746 45.100 -0.218 0.000 0.757 948 G HN 0.835 nan 8.290 nan 0.000 0.560 949 D N -0.779 119.474 120.400 -0.245 0.000 2.349 949 D HA 0.021 4.661 4.640 -0.001 0.000 0.214 949 D C 0.357 176.646 176.300 -0.018 0.000 1.063 949 D CA -0.452 53.498 54.000 -0.083 0.000 0.847 949 D CB -0.858 39.902 40.800 -0.067 0.000 0.933 949 D HN 0.462 nan 8.370 nan 0.000 0.513 950 H N 1.098 120.049 119.070 -0.198 0.000 2.732 950 H HA 0.237 4.793 4.556 -0.001 0.000 0.351 950 H C -1.996 173.291 175.328 -0.069 0.000 1.090 950 H CA -1.778 54.178 56.048 -0.153 0.000 1.431 950 H CB 0.624 30.243 29.762 -0.239 0.000 1.447 950 H HN -0.005 nan 8.280 nan 0.000 0.582 951 P HA -0.051 nan 4.420 nan 0.000 0.268 951 P C -0.609 176.746 177.300 0.092 0.000 1.205 951 P CA 0.025 63.179 63.100 0.089 0.000 0.771 951 P CB 0.756 32.488 31.700 0.052 0.000 0.858 952 S N 2.254 118.038 115.700 0.140 0.000 2.434 952 S HA 0.581 5.051 4.470 -0.001 0.000 0.318 952 S C 0.036 174.717 174.600 0.134 0.000 1.062 952 S CA -0.584 57.723 58.200 0.179 0.000 1.116 952 S CB -0.673 62.741 63.200 0.357 0.000 0.977 952 S HN 0.497 nan 8.310 nan 0.000 0.480 953 A N 4.484 127.381 122.820 0.128 0.000 2.313 953 A HA 0.510 4.830 4.320 -0.001 0.000 0.261 953 A C 0.558 178.183 177.584 0.068 0.000 1.090 953 A CA -0.559 51.532 52.037 0.090 0.000 0.807 953 A CB 0.212 19.267 19.000 0.092 0.000 1.055 953 A HN 0.906 nan 8.150 nan 0.000 0.492 954 R N -0.024 120.488 120.500 0.020 0.000 2.638 954 R HA -0.030 4.309 4.340 -0.001 0.000 0.268 954 R C 1.488 177.774 176.300 -0.023 0.000 1.006 954 R CA 0.911 56.996 56.100 -0.026 0.000 1.088 954 R CB 0.333 30.610 30.300 -0.037 0.000 0.950 954 R HN 0.931 nan 8.270 nan 0.000 0.419 955 E N 1.979 122.123 120.200 -0.093 0.000 2.267 955 E HA -0.244 4.105 4.350 -0.001 0.000 0.197 955 E C 0.278 176.892 176.600 0.023 0.000 0.998 955 E CA 1.660 57.988 56.400 -0.120 0.000 0.830 955 E CB -0.053 29.556 29.700 -0.150 0.000 0.751 955 E HN 0.753 nan 8.360 nan 0.000 0.491 956 D N 0.583 120.958 120.400 -0.043 0.000 2.340 956 D HA -0.002 4.638 4.640 -0.001 0.000 0.220 956 D C 0.431 176.717 176.300 -0.024 0.000 1.039 956 D CA -0.115 53.816 54.000 -0.114 0.000 0.866 956 D CB -0.060 40.619 40.800 -0.203 0.000 0.913 956 D HN 0.186 nan 8.370 nan 0.000 0.523 957 L N 0.726 121.982 121.223 0.055 0.000 2.325 957 L HA 0.518 4.857 4.340 -0.001 0.000 0.279 957 L C -1.048 175.943 176.870 0.201 0.000 1.054 957 L CA -0.374 54.519 54.840 0.089 0.000 0.804 957 L CB 1.623 43.723 42.059 0.067 0.000 1.200 957 L HN -0.207 nan 8.230 nan 0.000 0.436 958 D N 2.291 122.830 120.400 0.232 0.000 2.732 958 D HA 0.355 4.994 4.640 -0.001 0.000 0.229 958 D C -1.409 175.050 176.300 0.266 0.000 1.152 958 D CA -0.267 53.896 54.000 0.273 0.000 0.854 958 D CB 2.405 43.415 40.800 0.350 0.000 1.590 958 D HN 0.228 nan 8.370 nan 0.000 0.468 959 V N 3.468 123.518 119.914 0.227 0.000 2.284 959 V HA 0.132 4.252 4.120 -0.001 0.000 0.260 959 V C 1.280 177.514 176.094 0.233 0.000 1.084 959 V CA -0.020 62.427 62.300 0.246 0.000 0.894 959 V CB 0.533 32.489 31.823 0.222 0.000 1.119 959 V HN 0.608 nan 8.190 nan 0.000 0.484 960 S N 3.272 119.140 115.700 0.281 0.000 2.382 960 S HA -0.018 4.451 4.470 -0.001 0.000 0.228 960 S C 0.640 175.300 174.600 0.100 0.000 1.027 960 S CA 0.879 59.197 58.200 0.197 0.000 0.991 960 S CB 0.155 63.528 63.200 0.289 0.000 0.823 960 S HN 0.499 nan 8.310 nan 0.000 0.469 961 V N 1.366 121.377 119.914 0.161 0.000 2.733 961 V HA 0.505 4.625 4.120 -0.001 0.000 0.306 961 V C -0.841 175.318 176.094 0.108 0.000 1.084 961 V CA -0.537 61.831 62.300 0.113 0.000 0.905 961 V CB 1.941 33.857 31.823 0.154 0.000 1.010 961 V HN 0.356 nan 8.190 nan 0.000 0.424 962 M N 5.631 125.210 119.600 -0.034 0.000 2.142 962 M HA 0.664 5.144 4.480 -0.001 0.000 0.299 962 M C -1.043 175.074 176.300 -0.306 0.000 0.960 962 M CA -0.490 54.648 55.300 -0.270 0.000 0.920 962 M CB 1.356 33.804 32.600 -0.253 0.000 1.541 962 M HN 0.753 nan 8.290 nan 0.000 0.429 963 R N 4.118 124.365 120.500 -0.421 0.000 2.515 963 R HA 0.436 4.776 4.340 -0.001 0.000 0.291 963 R C -1.366 174.698 176.300 -0.394 0.000 1.046 963 R CA -0.700 55.211 56.100 -0.315 0.000 0.914 963 R CB 1.839 32.047 30.300 -0.153 0.000 1.191 963 R HN 0.890 nan 8.270 nan 0.000 0.435 964 R N 4.572 124.897 120.500 -0.291 0.000 2.401 964 R HA 0.131 4.471 4.340 -0.001 0.000 0.299 964 R C 0.122 176.310 176.300 -0.187 0.000 1.064 964 R CA 0.077 56.036 56.100 -0.235 0.000 1.000 964 R CB 0.587 30.806 30.300 -0.135 0.000 0.973 964 R HN 0.709 nan 8.270 nan 0.000 0.438 965 L N 3.197 124.305 121.223 -0.191 0.000 2.640 965 L HA 0.154 4.494 4.340 -0.001 0.000 0.230 965 L C 0.321 177.142 176.870 -0.081 0.000 1.123 965 L CA -0.035 54.719 54.840 -0.144 0.000 0.900 965 L CB 0.385 42.330 42.059 -0.191 0.000 1.146 965 L HN 0.718 nan 8.230 nan 0.000 0.484 966 T N -2.941 111.575 114.554 -0.064 0.000 2.887 966 T HA 0.455 4.805 4.350 -0.001 0.000 0.288 966 T C -0.206 174.486 174.700 -0.013 0.000 1.021 966 T CA -0.934 61.146 62.100 -0.033 0.000 1.000 966 T CB 2.372 71.226 68.868 -0.023 0.000 1.034 966 T HN -0.086 nan 8.240 nan 0.000 0.467 967 K N 0.906 121.304 120.400 -0.004 0.000 2.117 967 K HA 0.319 4.638 4.320 -0.001 0.000 0.240 967 K C 1.638 178.251 176.600 0.022 0.000 1.031 967 K CA -0.230 56.065 56.287 0.014 0.000 0.909 967 K CB 0.533 33.040 32.500 0.012 0.000 1.097 967 K HN 0.808 nan 8.250 nan 0.000 0.492 968 S N -0.690 115.031 115.700 0.036 0.000 2.474 968 S HA -0.131 4.338 4.470 -0.001 0.000 0.235 968 S C 1.706 176.320 174.600 0.024 0.000 0.997 968 S CA 1.352 59.572 58.200 0.033 0.000 0.949 968 S CB -0.326 62.901 63.200 0.044 0.000 0.766 968 S HN 0.617 nan 8.310 nan 0.000 0.517 969 S N 1.242 116.954 115.700 0.021 0.000 2.562 969 S HA 0.473 4.942 4.470 -0.001 0.000 0.221 969 S C 0.746 175.353 174.600 0.012 0.000 0.975 969 S CA -0.016 58.194 58.200 0.017 0.000 0.918 969 S CB -0.516 62.694 63.200 0.017 0.000 0.772 969 S HN 0.745 nan 8.310 nan 0.000 0.531 970 A N 1.869 124.694 122.820 0.009 0.000 2.404 970 A HA 0.399 4.718 4.320 -0.001 0.000 0.273 970 A C 1.131 178.721 177.584 0.010 0.000 1.144 970 A CA -0.567 51.473 52.037 0.006 0.000 0.806 970 A CB 0.240 19.240 19.000 0.000 0.000 1.080 970 A HN 0.422 nan 8.150 nan 0.000 0.509 971 K N 1.217 121.622 120.400 0.009 0.000 2.063 971 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 971 K C 0.134 176.745 176.600 0.017 0.000 1.048 971 K CA 1.545 57.839 56.287 0.013 0.000 0.928 971 K CB -0.099 32.407 32.500 0.009 0.000 0.713 971 K HN 0.668 nan 8.250 nan 0.000 0.442 972 T N 2.411 116.974 114.554 0.013 0.000 2.753 972 T HA 0.159 4.509 4.350 -0.001 0.000 0.297 972 T C -0.393 174.321 174.700 0.024 0.000 0.981 972 T CA -0.588 61.523 62.100 0.019 0.000 0.956 972 T CB 1.334 70.205 68.868 0.005 0.000 0.936 972 T HN -0.013 nan 8.240 nan 0.000 0.463 973 Q N 2.785 122.617 119.800 0.053 0.000 2.299 973 Q HA 0.428 4.768 4.340 -0.001 0.000 0.246 973 Q C 0.062 176.115 176.000 0.087 0.000 0.935 973 Q CA 0.009 55.847 55.803 0.058 0.000 0.887 973 Q CB 1.361 30.137 28.738 0.062 0.000 1.223 973 Q HN 0.559 nan 8.270 nan 0.000 0.439 974 R N 0.229 120.748 120.500 0.030 0.000 2.628 974 R HA 0.683 5.022 4.340 -0.001 0.000 0.288 974 R C -1.105 175.147 176.300 -0.080 0.000 0.980 974 R CA -0.706 55.396 56.100 0.004 0.000 0.891 974 R CB 1.863 32.134 30.300 -0.049 0.000 1.188 974 R HN 0.249 nan 8.270 nan 0.000 0.450 975 V N 1.387 121.244 119.914 -0.095 0.000 2.577 975 V HA 0.596 4.716 4.120 -0.001 0.000 0.303 975 V C 0.137 175.950 176.094 -0.468 0.000 1.042 975 V CA -0.833 61.281 62.300 -0.310 0.000 0.872 975 V CB 2.048 33.697 31.823 -0.289 0.000 0.998 975 V HN 0.952 nan 8.190 nan 0.000 0.423 976 G N 2.969 111.282 108.800 -0.812 0.000 2.389 976 G HA2 0.670 4.629 3.960 -0.001 0.000 0.328 976 G HA3 0.670 4.629 3.960 -0.001 0.000 0.328 976 G C -1.680 172.742 174.900 -0.797 0.000 1.133 976 G CA -0.291 44.138 45.100 -1.118 0.000 0.891 976 G HN 0.499 nan 8.290 nan 0.000 0.485 977 Y N 0.124 120.459 120.300 0.058 0.000 2.442 977 Y HA 0.462 5.011 4.550 -0.001 0.000 0.344 977 Y C -0.184 175.981 175.900 0.441 0.000 0.976 977 Y CA -0.899 57.353 58.100 0.253 0.000 1.040 977 Y CB 2.703 41.281 38.460 0.197 0.000 1.228 977 Y HN 0.350 nan 8.280 nan 0.000 0.451 978 V N 4.811 125.029 119.914 0.506 0.000 2.370 978 V HA 0.383 4.503 4.120 -0.001 0.000 0.283 978 V C -0.884 175.444 176.094 0.390 0.000 1.023 978 V CA -0.634 61.892 62.300 0.377 0.000 0.857 978 V CB 1.507 33.505 31.823 0.292 0.000 0.985 978 V HN 0.543 nan 8.190 nan 0.000 0.443 979 L N 5.271 126.708 121.223 0.357 0.000 2.305 979 L HA 0.615 4.955 4.340 -0.001 0.000 0.284 979 L C -0.663 176.405 176.870 0.329 0.000 1.013 979 L CA -0.143 54.901 54.840 0.339 0.000 0.819 979 L CB 1.306 43.569 42.059 0.339 0.000 1.227 979 L HN 0.773 nan 8.230 nan 0.000 0.417 980 H N 4.278 123.503 119.070 0.258 0.000 2.489 980 H HA 0.587 5.143 4.556 -0.001 0.000 0.343 980 H C -1.141 174.272 175.328 0.142 0.000 1.086 980 H CA -0.625 55.541 56.048 0.198 0.000 1.198 980 H CB 1.139 31.087 29.762 0.310 0.000 1.490 980 H HN 0.618 nan 8.280 nan 0.000 0.504 981 R N 4.332 124.445 120.500 -0.644 0.000 2.393 981 R HA 0.307 4.646 4.340 -0.001 0.000 0.315 981 R C -0.424 175.445 176.300 -0.719 0.000 0.952 981 R CA -0.497 55.327 56.100 -0.461 0.000 0.842 981 R CB 1.371 31.532 30.300 -0.231 0.000 1.163 981 R HN 0.780 nan 8.270 nan 0.000 0.450 982 T N 1.500 115.781 114.554 -0.456 0.000 2.793 982 T HA 0.191 4.540 4.350 -0.001 0.000 0.299 982 T C -0.504 174.020 174.700 -0.292 0.000 1.038 982 T CA -0.402 61.536 62.100 -0.269 0.000 0.948 982 T CB 0.580 69.383 68.868 -0.109 0.000 1.231 982 T HN 0.674 nan 8.240 nan 0.000 0.538 983 N N 0.481 119.035 118.700 -0.242 0.000 2.410 983 N HA 0.466 5.206 4.740 -0.001 0.000 0.287 983 N C -1.534 173.813 175.510 -0.271 0.000 1.044 983 N CA -0.495 52.349 53.050 -0.343 0.000 0.881 983 N CB 0.719 38.841 38.487 -0.609 0.000 1.405 983 N HN 0.484 nan 8.380 nan 0.000 0.490 984 L N 2.704 123.762 121.223 -0.276 0.000 2.325 984 L HA 0.546 4.885 4.340 -0.001 0.000 0.278 984 L C 0.466 177.210 176.870 -0.210 0.000 1.023 984 L CA -0.952 53.759 54.840 -0.215 0.000 0.811 984 L CB 1.650 43.587 42.059 -0.202 0.000 1.249 984 L HN 0.389 nan 8.230 nan 0.000 0.431 985 M N 2.312 121.809 119.600 -0.172 0.000 2.245 985 M HA 0.101 4.580 4.480 -0.001 0.000 0.344 985 M C -0.143 176.072 176.300 -0.140 0.000 1.170 985 M CA 0.123 55.326 55.300 -0.161 0.000 1.135 985 M CB 0.441 32.951 32.600 -0.150 0.000 1.574 985 M HN 0.490 nan 8.290 nan 0.000 0.452 986 Q N 2.081 121.803 119.800 -0.130 0.000 2.337 986 Q HA 0.199 4.538 4.340 -0.001 0.000 0.255 986 Q C -0.305 175.641 176.000 -0.089 0.000 0.997 986 Q CA -0.022 55.719 55.803 -0.104 0.000 0.925 986 Q CB 0.970 29.650 28.738 -0.097 0.000 1.212 986 Q HN 0.824 nan 8.270 nan 0.000 0.436 987 c N 0.920 119.470 118.600 -0.082 0.000 3.115 987 c HA 0.369 4.939 4.570 -0.001 0.000 0.277 987 c C 1.316 175.371 174.090 -0.058 0.000 1.460 987 c CA 0.090 56.376 56.329 -0.073 0.000 1.789 987 c CB -0.352 42.108 42.510 -0.082 0.000 2.674 987 c HN 1.076 nan 8.230 nan 0.000 0.582 988 G N 1.065 109.833 108.800 -0.053 0.000 2.179 988 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.220 988 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.220 988 G C 0.052 174.930 174.900 -0.037 0.000 0.990 988 G CA 0.247 45.322 45.100 -0.042 0.000 0.646 988 G HN 0.427 nan 8.290 nan 0.000 0.517 989 T N 2.434 116.963 114.554 -0.041 0.000 2.761 989 T HA 0.453 4.803 4.350 -0.001 0.000 0.296 989 T C -0.640 174.042 174.700 -0.030 0.000 0.934 989 T CA -0.408 61.672 62.100 -0.033 0.000 1.091 989 T CB 1.777 70.623 68.868 -0.037 0.000 0.896 989 T HN 0.008 nan 8.240 nan 0.000 0.515 990 P HA -0.114 nan 4.420 nan 0.000 0.217 990 P C -0.004 177.290 177.300 -0.010 0.000 1.148 990 P CA 0.594 63.686 63.100 -0.012 0.000 0.828 990 P CB -0.116 31.582 31.700 -0.002 0.000 0.783 991 E N 0.133 120.327 120.200 -0.010 0.000 1.008 991 E HA -0.218 4.132 4.350 -0.001 0.000 0.356 991 E C 0.094 176.687 176.600 -0.012 0.000 1.342 991 E CA 0.750 57.138 56.400 -0.021 0.000 1.337 991 E CB -0.488 29.184 29.700 -0.047 0.000 0.398 991 E HN 0.474 nan 8.360 nan 0.000 0.359 992 E N 1.452 121.663 120.200 0.018 0.000 2.334 992 E HA 0.180 4.530 4.350 -0.001 0.000 0.200 992 E C -0.527 176.057 176.600 -0.026 0.000 0.855 992 E CA -0.887 55.541 56.400 0.047 0.000 0.882 992 E CB 0.183 29.956 29.700 0.123 0.000 1.993 992 E HN 0.694 nan 8.360 nan 0.000 0.412 993 H N 1.179 120.242 119.070 -0.012 0.000 1.771 993 H HA -0.158 4.397 4.556 -0.001 0.000 0.296 993 H C -1.056 174.277 175.328 0.009 0.000 0.739 993 H CA 1.212 57.257 56.048 -0.004 0.000 0.999 993 H CB -1.836 27.921 29.762 -0.008 0.000 1.440 993 H HN 0.526 nan 8.280 nan 0.000 0.235 994 T N 1.231 115.749 114.554 -0.059 0.000 2.864 994 T HA 0.593 4.943 4.350 -0.001 0.000 0.299 994 T C -0.345 174.361 174.700 0.010 0.000 1.166 994 T CA -1.176 60.889 62.100 -0.058 0.000 1.007 994 T CB 2.378 71.203 68.868 -0.072 0.000 1.219 994 T HN 0.627 nan 8.240 nan 0.000 0.506 995 Q N 0.732 120.552 119.800 0.032 0.000 2.226 995 Q HA 0.512 4.851 4.340 -0.001 0.000 0.256 995 Q C -0.441 175.571 176.000 0.020 0.000 0.962 995 Q CA -1.277 54.547 55.803 0.034 0.000 0.887 995 Q CB 1.202 29.973 28.738 0.054 0.000 1.282 995 Q HN 0.333 nan 8.270 nan 0.000 0.449 996 K N 1.404 121.807 120.400 0.006 0.000 2.401 996 K HA 0.151 4.470 4.320 -0.001 0.000 0.278 996 K C -0.650 175.944 176.600 -0.009 0.000 1.018 996 K CA -0.312 55.971 56.287 -0.008 0.000 0.981 996 K CB 0.380 32.867 32.500 -0.021 0.000 0.933 996 K HN 0.403 nan 8.250 nan 0.000 0.477 997 L N 2.990 124.204 121.223 -0.016 0.000 2.272 997 L HA 0.235 4.575 4.340 -0.001 0.000 0.289 997 L C -0.640 176.185 176.870 -0.076 0.000 1.032 997 L CA -0.172 54.651 54.840 -0.029 0.000 0.810 997 L CB 0.982 43.035 42.059 -0.010 0.000 1.205 997 L HN 0.436 nan 8.230 nan 0.000 0.422 998 D N 3.605 123.953 120.400 -0.087 0.000 2.472 998 D HA 0.148 4.787 4.640 -0.001 0.000 0.234 998 D C 1.075 177.262 176.300 -0.189 0.000 1.088 998 D CA -0.263 53.661 54.000 -0.127 0.000 0.882 998 D CB 1.203 41.978 40.800 -0.040 0.000 1.037 998 D HN 0.386 nan 8.370 nan 0.000 0.520 999 V N 1.410 121.113 119.914 -0.352 0.000 2.594 999 V HA -0.196 3.924 4.120 -0.001 0.000 0.253 999 V C 2.144 177.895 176.094 -0.572 0.000 1.069 999 V CA 1.132 63.050 62.300 -0.638 0.000 1.082 999 V CB -1.102 30.073 31.823 -1.081 0.000 0.680 999 V HN 0.604 nan 8.190 nan 0.000 0.469 1000 c N 0.554 118.944 118.600 -0.349 0.000 2.437 1000 c HA -0.005 4.564 4.570 -0.001 0.000 0.283 1000 c C 2.104 176.020 174.090 -0.290 0.000 1.424 1000 c CA 1.341 57.519 56.329 -0.251 0.000 1.782 1000 c CB -1.797 40.555 42.510 -0.264 0.000 1.833 1000 c HN 0.778 nan 8.230 nan 0.000 0.532 1001 H N -1.036 117.991 119.070 -0.072 0.000 2.505 1001 H HA 0.266 4.822 4.556 -0.001 0.000 0.286 1001 H C 1.665 177.012 175.328 0.032 0.000 1.072 1001 H CA -0.040 56.011 56.048 0.004 0.000 1.141 1001 H CB 0.078 29.828 29.762 -0.021 0.000 1.550 1001 H HN 0.345 nan 8.280 nan 0.000 0.547 1002 L N -0.126 121.134 121.223 0.060 0.000 2.156 1002 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 1002 L C 0.142 177.144 176.870 0.220 0.000 1.095 1002 L CA 0.844 55.755 54.840 0.118 0.000 0.770 1002 L CB 0.155 42.248 42.059 0.058 0.000 0.914 1002 L HN 0.208 nan 8.230 nan 0.000 0.439 1003 L N 0.063 121.377 121.223 0.152 0.000 2.331 1003 L HA 0.402 4.741 4.340 -0.001 0.000 0.275 1003 L C -2.072 174.852 176.870 0.090 0.000 1.022 1003 L CA -1.996 52.871 54.840 0.046 0.000 0.812 1003 L CB 1.560 43.428 42.059 -0.319 0.000 1.257 1003 L HN -0.200 nan 8.230 nan 0.000 0.435 1004 P HA 0.083 nan 4.420 nan 0.000 0.274 1004 P C -0.814 176.607 177.300 0.202 0.000 1.256 1004 P CA -0.215 62.960 63.100 0.125 0.000 0.795 1004 P CB 0.459 32.207 31.700 0.079 0.000 1.038 1005 N N -2.761 116.036 118.700 0.162 0.000 2.740 1005 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 1005 N C -0.075 175.521 175.510 0.144 0.000 1.062 1005 N CA 0.446 53.581 53.050 0.141 0.000 0.704 1005 N CB -2.186 36.375 38.487 0.122 0.000 0.968 1005 N HN 0.336 nan 8.380 nan 0.000 0.547 1006 V N -0.090 119.864 119.914 0.068 0.000 2.572 1006 V HA 0.439 4.559 4.120 -0.001 0.000 0.291 1006 V C 1.319 177.314 176.094 -0.164 0.000 1.039 1006 V CA 0.892 63.060 62.300 -0.221 0.000 1.055 1006 V CB 1.262 32.858 31.823 -0.378 0.000 0.969 1006 V HN 0.443 nan 8.190 nan 0.000 0.482 1007 A N 6.970 129.665 122.820 -0.208 0.000 2.192 1007 A HA 0.475 4.794 4.320 -0.001 0.000 0.208 1007 A C 1.008 178.543 177.584 -0.082 0.000 1.220 1007 A CA 0.105 52.084 52.037 -0.097 0.000 0.900 1007 A CB 0.232 19.194 19.000 -0.064 0.000 0.937 1007 A HN 0.788 nan 8.150 nan 0.000 0.487 1008 R N -1.762 118.650 120.500 -0.147 0.000 2.663 1008 R HA 0.505 4.844 4.340 -0.001 0.000 0.267 1008 R C -2.329 173.876 176.300 -0.160 0.000 1.038 1008 R CA -0.332 55.713 56.100 -0.092 0.000 0.886 1008 R CB 1.519 31.828 30.300 0.014 0.000 1.249 1008 R HN 0.302 nan 8.270 nan 0.000 0.463 1009 c N 2.721 121.223 118.600 -0.162 0.000 2.551 1009 c HA 0.620 5.190 4.570 -0.001 0.000 0.332 1009 c C -1.407 172.643 174.090 -0.066 0.000 1.139 1009 c CA -0.296 55.963 56.329 -0.116 0.000 1.328 1009 c CB 1.380 43.796 42.510 -0.157 0.000 1.903 1009 c HN 0.792 nan 8.230 nan 0.000 0.459 1010 E N 3.493 123.731 120.200 0.063 0.000 2.248 1010 E HA 0.370 4.719 4.350 -0.001 0.000 0.267 1010 E C -0.948 175.783 176.600 0.219 0.000 0.877 1010 E CA -0.604 55.867 56.400 0.119 0.000 0.759 1010 E CB 2.402 32.172 29.700 0.117 0.000 1.182 1010 E HN 0.728 nan 8.360 nan 0.000 0.418 1011 R N 1.052 121.670 120.500 0.197 0.000 2.357 1011 R HA 0.345 4.685 4.340 -0.001 0.000 0.296 1011 R C -0.099 176.221 176.300 0.033 0.000 1.052 1011 R CA 0.133 56.285 56.100 0.087 0.000 0.988 1011 R CB 0.641 30.970 30.300 0.049 0.000 1.025 1011 R HN 0.677 nan 8.270 nan 0.000 0.469 1012 T N -0.397 114.152 114.554 -0.008 0.000 2.864 1012 T HA 0.368 4.717 4.350 -0.001 0.000 0.289 1012 T C 0.010 174.692 174.700 -0.029 0.000 1.082 1012 T CA -0.777 61.344 62.100 0.035 0.000 1.009 1012 T CB 1.306 70.267 68.868 0.154 0.000 1.234 1012 T HN 0.611 nan 8.240 nan 0.000 0.526 1013 T N 0.279 114.821 114.554 -0.021 0.000 2.795 1013 T HA 0.239 4.588 4.350 -0.001 0.000 0.314 1013 T C 1.661 176.279 174.700 -0.136 0.000 1.069 1013 T CA -0.733 61.331 62.100 -0.060 0.000 1.071 1013 T CB -0.046 68.803 68.868 -0.031 0.000 0.988 1013 T HN 0.566 nan 8.240 nan 0.000 0.543 1014 L N 1.057 122.181 121.223 -0.165 0.000 2.265 1014 L HA -0.054 4.285 4.340 -0.001 0.000 0.215 1014 L C 2.799 179.359 176.870 -0.516 0.000 1.117 1014 L CA 1.475 56.147 54.840 -0.279 0.000 0.782 1014 L CB -1.093 40.888 42.059 -0.130 0.000 0.914 1014 L HN 0.977 nan 8.230 nan 0.000 0.441 1015 T N -4.899 109.455 114.554 -0.334 0.000 3.107 1015 T HA 0.064 4.413 4.350 -0.001 0.000 0.249 1015 T C 0.827 175.393 174.700 -0.223 0.000 1.096 1015 T CA -0.251 61.679 62.100 -0.284 0.000 1.012 1015 T CB -0.317 68.521 68.868 -0.048 0.000 0.977 1015 T HN 0.315 nan 8.240 nan 0.000 0.527 1016 F N -0.616 119.345 119.950 0.018 0.000 2.914 1016 F HA -0.230 4.296 4.527 -0.001 0.000 0.304 1016 F C 1.104 176.905 175.800 0.001 0.000 0.712 1016 F CA 0.147 58.150 58.000 0.006 0.000 1.211 1016 F CB -2.147 36.852 39.000 -0.001 0.000 1.515 1016 F HN 0.216 nan 8.300 nan 0.000 0.350 1017 L N -0.608 120.684 121.223 0.114 0.000 2.509 1017 L HA 0.071 4.411 4.340 -0.001 0.000 0.222 1017 L C 1.013 177.908 176.870 0.041 0.000 1.123 1017 L CA 0.982 55.864 54.840 0.070 0.000 0.856 1017 L CB 0.075 42.158 42.059 0.039 0.000 0.985 1017 L HN 0.325 nan 8.230 nan 0.000 0.456 1018 Q N 0.480 120.304 119.800 0.040 0.000 2.305 1018 Q HA 0.275 4.615 4.340 -0.001 0.000 0.271 1018 Q C -1.204 174.818 176.000 0.036 0.000 1.046 1018 Q CA -0.702 55.114 55.803 0.022 0.000 0.798 1018 Q CB 1.970 30.706 28.738 -0.003 0.000 1.286 1018 Q HN 0.092 nan 8.270 nan 0.000 0.435 1019 N N 4.250 122.973 118.700 0.038 0.000 2.488 1019 N HA 0.199 4.938 4.740 -0.001 0.000 0.274 1019 N C 0.286 175.818 175.510 0.037 0.000 1.111 1019 N CA 0.206 53.287 53.050 0.051 0.000 0.974 1019 N CB 1.104 39.627 38.487 0.059 0.000 1.089 1019 N HN 0.630 nan 8.380 nan 0.000 0.465 1020 L N 0.433 121.679 121.223 0.039 0.000 2.642 1020 L HA 0.312 4.651 4.340 -0.001 0.000 0.233 1020 L C 0.555 177.453 176.870 0.046 0.000 1.077 1020 L CA 0.313 55.169 54.840 0.027 0.000 0.879 1020 L CB 0.377 42.439 42.059 0.005 0.000 1.151 1020 L HN 0.526 nan 8.230 nan 0.000 0.495 1021 E N -0.471 119.772 120.200 0.073 0.000 2.347 1021 E HA 0.148 4.497 4.350 -0.001 0.000 0.285 1021 E C -1.370 175.308 176.600 0.130 0.000 0.925 1021 E CA -0.633 55.824 56.400 0.095 0.000 0.779 1021 E CB 1.524 31.273 29.700 0.082 0.000 1.233 1021 E HN 0.052 nan 8.360 nan 0.000 0.414 1022 H N 4.338 123.433 119.070 0.042 0.000 2.668 1022 H HA 0.364 4.919 4.556 -0.001 0.000 0.303 1022 H C -0.881 174.472 175.328 0.042 0.000 1.074 1022 H CA 0.068 56.138 56.048 0.037 0.000 1.406 1022 H CB 0.448 30.222 29.762 0.021 0.000 1.442 1022 H HN 0.344 nan 8.280 nan 0.000 0.482 1023 L N 4.899 125.934 121.223 -0.312 0.000 2.275 1023 L HA 0.205 4.545 4.340 -0.001 0.000 0.288 1023 L C 0.111 176.846 176.870 -0.224 0.000 1.046 1023 L CA -0.892 53.840 54.840 -0.180 0.000 0.805 1023 L CB 0.980 42.982 42.059 -0.095 0.000 1.193 1023 L HN 0.659 nan 8.230 nan 0.000 0.426 1024 D N 2.559 122.903 120.400 -0.093 0.000 2.493 1024 D HA 0.187 4.826 4.640 -0.001 0.000 0.240 1024 D C 1.175 177.449 176.300 -0.043 0.000 1.142 1024 D CA 1.411 55.383 54.000 -0.048 0.000 0.872 1024 D CB 1.191 41.987 40.800 -0.007 0.000 1.173 1024 D HN 0.812 nan 8.370 nan 0.000 0.467 1025 G N 3.010 111.797 108.800 -0.022 0.000 2.196 1025 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.268 1025 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.268 1025 G C 0.766 175.694 174.900 0.046 0.000 0.975 1025 G CA 0.469 45.574 45.100 0.008 0.000 0.648 1025 G HN 0.657 nan 8.290 nan 0.000 0.538 1026 M N -2.504 117.075 119.600 -0.035 0.000 2.537 1026 M HA -0.178 4.301 4.480 -0.001 0.000 0.205 1026 M C 0.077 176.382 176.300 0.007 0.000 0.450 1026 M CA 0.846 56.104 55.300 -0.070 0.000 0.553 1026 M CB -1.859 30.694 32.600 -0.079 0.000 2.046 1026 M HN 0.238 nan 8.290 nan 0.000 0.797 1027 V N 0.748 120.657 119.914 -0.008 0.000 2.398 1027 V HA 0.761 4.880 4.120 -0.001 0.000 0.286 1027 V C 0.616 176.615 176.094 -0.159 0.000 1.026 1027 V CA -0.326 61.962 62.300 -0.019 0.000 0.868 1027 V CB 1.806 33.614 31.823 -0.025 0.000 0.982 1027 V HN 0.384 nan 8.190 nan 0.000 0.443 1028 A N 8.209 130.849 122.820 -0.299 0.000 2.269 1028 A HA 0.759 5.078 4.320 -0.001 0.000 0.302 1028 A C -2.275 175.012 177.584 -0.494 0.000 1.266 1028 A CA -1.440 50.185 52.037 -0.687 0.000 0.894 1028 A CB 0.189 18.465 19.000 -1.207 0.000 1.147 1028 A HN 0.614 nan 8.150 nan 0.000 0.537 1029 P HA 0.214 nan 4.420 nan 0.000 0.274 1029 P C -0.251 177.014 177.300 -0.057 0.000 1.237 1029 P CA -0.216 62.817 63.100 -0.112 0.000 0.793 1029 P CB 0.747 32.445 31.700 -0.004 0.000 0.977 1030 E N -0.386 119.806 120.200 -0.013 0.000 2.369 1030 E HA 0.285 4.635 4.350 -0.001 0.000 0.255 1030 E C 0.125 176.774 176.600 0.081 0.000 1.172 1030 E CA -0.879 55.542 56.400 0.036 0.000 0.932 1030 E CB 0.602 30.307 29.700 0.009 0.000 1.040 1030 E HN 0.309 nan 8.360 nan 0.000 0.454 1031 V N -1.753 118.214 119.914 0.088 0.000 3.096 1031 V HA 0.398 4.517 4.120 -0.001 0.000 0.319 1031 V C 0.075 176.174 176.094 0.007 0.000 1.082 1031 V CA -1.043 61.298 62.300 0.069 0.000 1.022 1031 V CB 1.277 33.150 31.823 0.083 0.000 1.103 1031 V HN 0.747 nan 8.190 nan 0.000 0.455 1032 c N 1.877 120.478 118.600 0.000 0.000 2.500 1032 c HA 0.477 5.046 4.570 -0.001 0.000 0.367 1032 c C -2.134 171.903 174.090 -0.088 0.000 1.283 1032 c CA -0.402 55.908 56.329 -0.032 0.000 2.456 1032 c CB 0.073 42.582 42.510 -0.002 0.000 2.457 1032 c HN 0.813 nan 8.230 nan 0.000 0.632 1033 P HA 0.050 nan 4.420 nan 0.000 0.264 1033 P C 0.280 177.427 177.300 -0.255 0.000 1.193 1033 P CA 0.942 63.907 63.100 -0.225 0.000 0.763 1033 P CB 0.181 31.729 31.700 -0.254 0.000 0.810 1034 M N -1.373 118.025 119.600 -0.336 0.000 2.939 1034 M HA -0.211 4.269 4.480 -0.001 0.000 0.194 1034 M C 0.258 176.547 176.300 -0.018 0.000 0.617 1034 M CA 1.198 56.282 55.300 -0.359 0.000 0.734 1034 M CB -2.430 29.655 32.600 -0.859 0.000 2.637 1034 M HN 0.496 nan 8.290 nan 0.000 0.316 1035 E N 0.522 120.718 120.200 -0.006 0.000 2.227 1035 E HA 0.605 4.955 4.350 -0.001 0.000 0.268 1035 E C -0.655 176.025 176.600 0.132 0.000 0.990 1035 E CA -0.218 56.266 56.400 0.139 0.000 0.856 1035 E CB 1.596 31.338 29.700 0.071 0.000 1.159 1035 E HN 0.182 nan 8.360 nan 0.000 0.401 1036 T N 1.481 116.127 114.554 0.154 0.000 2.921 1036 T HA 0.691 5.041 4.350 -0.001 0.000 0.297 1036 T C -1.241 173.473 174.700 0.025 0.000 1.013 1036 T CA -0.545 61.648 62.100 0.154 0.000 0.990 1036 T CB 1.504 70.468 68.868 0.160 0.000 1.023 1036 T HN 0.623 nan 8.240 nan 0.000 0.447 1037 A N 1.913 124.748 122.820 0.025 0.000 2.479 1037 A HA 1.015 5.334 4.320 -0.001 0.000 0.296 1037 A C -1.010 176.471 177.584 -0.171 0.000 1.121 1037 A CA -0.935 51.014 52.037 -0.147 0.000 0.743 1037 A CB 1.524 20.379 19.000 -0.242 0.000 1.323 1037 A HN 1.122 nan 8.150 nan 0.000 0.415 1038 A N 0.072 122.696 122.820 -0.326 0.000 2.386 1038 A HA 0.825 5.145 4.320 -0.001 0.000 0.311 1038 A C -1.525 175.880 177.584 -0.298 0.000 1.068 1038 A CA -0.357 51.622 52.037 -0.097 0.000 0.743 1038 A CB 0.793 19.766 19.000 -0.044 0.000 1.258 1038 A HN 0.858 nan 8.150 nan 0.000 0.429 1039 Y N 0.036 120.549 120.300 0.356 0.000 2.524 1039 Y HA 0.578 5.127 4.550 -0.001 0.000 0.347 1039 Y C -0.332 175.718 175.900 0.250 0.000 1.005 1039 Y CA -0.886 57.359 58.100 0.243 0.000 1.025 1039 Y CB 2.659 41.215 38.460 0.159 0.000 1.275 1039 Y HN 0.435 nan 8.280 nan 0.000 0.460 1040 V N 2.396 122.486 119.914 0.293 0.000 2.531 1040 V HA 0.477 4.596 4.120 -0.001 0.000 0.301 1040 V C -0.763 175.391 176.094 0.100 0.000 1.034 1040 V CA -0.871 61.497 62.300 0.113 0.000 0.865 1040 V CB 1.849 33.686 31.823 0.023 0.000 0.995 1040 V HN 0.819 nan 8.190 nan 0.000 0.424 1041 S N 3.368 119.132 115.700 0.107 0.000 2.525 1041 S HA 0.756 5.226 4.470 -0.001 0.000 0.290 1041 S C -0.286 174.227 174.600 -0.146 0.000 1.152 1041 S CA -0.628 57.555 58.200 -0.028 0.000 1.072 1041 S CB 1.730 64.966 63.200 0.061 0.000 1.027 1041 S HN 0.549 nan 8.310 nan 0.000 0.500 1042 S N 2.197 117.692 115.700 -0.341 0.000 2.501 1042 S HA 0.564 5.033 4.470 -0.001 0.000 0.301 1042 S C -0.898 173.369 174.600 -0.555 0.000 1.096 1042 S CA -0.761 57.282 58.200 -0.262 0.000 1.063 1042 S CB 0.535 63.663 63.200 -0.119 0.000 1.042 1042 S HN 0.782 nan 8.310 nan 0.000 0.494 1043 H N 0.479 119.536 119.070 -0.022 0.000 2.806 1043 H HA 0.428 4.984 4.556 -0.001 0.000 0.367 1043 H C -0.382 174.940 175.328 -0.009 0.000 1.136 1043 H CA -0.630 55.408 56.048 -0.017 0.000 1.178 1043 H CB 1.788 31.540 29.762 -0.016 0.000 1.718 1043 H HN 0.540 nan 8.280 nan 0.000 0.540 1044 S N 0.000 115.754 115.700 0.090 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.234 58.200 0.057 0.000 1.107 1044 S CB 0.000 63.222 63.200 0.037 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517