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 1r34_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 0.000 174.104 174.090 0.023 0.000 1.270 31 c CA 0.000 56.338 56.329 0.014 0.000 1.963 31 c CB 0.000 42.506 42.510 -0.007 0.000 2.134 32 Q N 1.490 121.320 119.800 0.050 0.000 2.395 32 Q HA 0.131 4.471 4.340 -0.001 0.000 0.271 32 Q C -0.161 175.871 176.000 0.054 0.000 1.026 32 Q CA 0.483 56.330 55.803 0.074 0.000 0.900 32 Q CB 0.802 29.622 28.738 0.136 0.000 1.266 32 Q HN 0.666 nan 8.270 nan 0.000 0.430 33 D N 1.362 121.797 120.400 0.058 0.000 2.295 33 D HA 0.096 4.735 4.640 -0.001 0.000 0.248 33 D C 0.342 176.690 176.300 0.079 0.000 1.154 33 D CA -0.299 53.715 54.000 0.023 0.000 0.857 33 D CB 1.388 42.200 40.800 0.021 0.000 1.117 33 D HN 0.362 nan 8.370 nan 0.000 0.468 34 V N 2.075 121.988 119.914 -0.002 0.000 3.542 34 V HA 0.131 4.251 4.120 -0.001 0.000 0.296 34 V C 1.005 177.151 176.094 0.088 0.000 1.364 34 V CA 0.015 62.380 62.300 0.109 0.000 1.118 34 V CB 0.212 31.929 31.823 -0.177 0.000 0.972 34 V HN 0.390 nan 8.190 nan 0.000 0.430 35 V N 0.028 119.909 119.914 -0.055 0.000 2.911 35 V HA 0.073 4.192 4.120 -0.001 0.000 0.237 35 V C 2.339 178.411 176.094 -0.035 0.000 1.156 35 V CA 1.273 63.491 62.300 -0.136 0.000 1.180 35 V CB 0.008 31.699 31.823 -0.219 0.000 0.932 35 V HN 0.471 nan 8.190 nan 0.000 0.483 36 Q N -0.008 119.816 119.800 0.040 0.000 2.398 36 Q HA 0.080 4.420 4.340 -0.001 0.000 0.204 36 Q C -0.410 175.675 176.000 0.143 0.000 0.932 36 Q CA 0.463 56.314 55.803 0.080 0.000 0.916 36 Q CB 0.380 29.138 28.738 0.033 0.000 1.024 36 Q HN 0.515 nan 8.270 nan 0.000 0.504 37 D N 1.278 121.793 120.400 0.190 0.000 2.441 37 D HA 0.165 4.805 4.640 -0.001 0.000 0.231 37 D C -0.702 175.712 176.300 0.190 0.000 1.073 37 D CA -0.271 53.826 54.000 0.162 0.000 0.850 37 D CB 1.986 42.858 40.800 0.121 0.000 1.062 37 D HN -0.168 nan 8.370 nan 0.000 0.524 38 V N 4.653 124.648 119.914 0.135 0.000 2.425 38 V HA 0.080 4.199 4.120 -0.001 0.000 0.276 38 V C -1.772 174.297 176.094 -0.042 0.000 1.017 38 V CA -1.037 61.258 62.300 -0.008 0.000 1.062 38 V CB 0.035 31.865 31.823 0.011 0.000 0.997 38 V HN 0.301 nan 8.190 nan 0.000 0.476 39 P HA 0.020 nan 4.420 nan 0.000 0.265 39 P C -0.327 176.945 177.300 -0.045 0.000 1.187 39 P CA 0.057 63.126 63.100 -0.053 0.000 0.766 39 P CB 0.317 31.968 31.700 -0.082 0.000 0.820 40 N N 2.560 121.249 118.700 -0.018 0.000 2.462 40 N HA 0.343 5.083 4.740 -0.001 0.000 0.242 40 N C -1.113 174.390 175.510 -0.011 0.000 1.010 40 N CA -0.475 52.568 53.050 -0.013 0.000 0.939 40 N CB 0.151 38.639 38.487 0.001 0.000 1.127 40 N HN 0.112 nan 8.380 nan 0.000 0.509 41 V N 0.445 120.346 119.914 -0.022 0.000 3.001 41 V HA 0.543 4.663 4.120 -0.001 0.000 0.314 41 V C 0.561 176.645 176.094 -0.017 0.000 1.099 41 V CA -0.747 61.544 62.300 -0.014 0.000 0.989 41 V CB 2.032 33.837 31.823 -0.029 0.000 1.040 41 V HN 0.389 nan 8.190 nan 0.000 0.434 42 D N 0.915 121.313 120.400 -0.004 0.000 2.144 42 D HA 0.018 4.658 4.640 -0.001 0.000 0.200 42 D C 0.511 176.787 176.300 -0.041 0.000 0.978 42 D CA 1.615 55.611 54.000 -0.008 0.000 0.833 42 D CB 0.432 41.244 40.800 0.020 0.000 0.961 42 D HN 0.418 nan 8.370 nan 0.000 0.470 43 V N 1.468 121.337 119.914 -0.075 0.000 2.483 43 V HA 0.219 4.339 4.120 -0.001 0.000 0.297 43 V C -0.370 175.636 176.094 -0.147 0.000 1.027 43 V CA -0.728 61.498 62.300 -0.124 0.000 0.855 43 V CB 2.371 34.073 31.823 -0.202 0.000 0.995 43 V HN -0.081 nan 8.190 nan 0.000 0.424 44 Q N 4.681 124.406 119.800 -0.126 0.000 2.339 44 Q HA 0.426 4.765 4.340 -0.001 0.000 0.268 44 Q C 0.450 176.362 176.000 -0.147 0.000 1.027 44 Q CA -0.687 55.035 55.803 -0.135 0.000 0.759 44 Q CB 1.867 30.546 28.738 -0.099 0.000 1.244 44 Q HN 0.679 nan 8.270 nan 0.000 0.464 45 M N 2.973 122.439 119.600 -0.223 0.000 2.202 45 M HA -0.176 4.304 4.480 -0.001 0.000 0.262 45 M C 1.594 177.798 176.300 -0.159 0.000 1.063 45 M CA 1.041 56.196 55.300 -0.241 0.000 1.097 45 M CB -0.821 31.498 32.600 -0.468 0.000 1.382 45 M HN 0.561 nan 8.290 nan 0.000 0.413 46 L N 0.556 121.680 121.223 -0.164 0.000 2.093 46 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 46 L C 2.465 179.336 176.870 0.002 0.000 1.085 46 L CA 1.761 56.536 54.840 -0.108 0.000 0.755 46 L CB -0.613 41.356 42.059 -0.150 0.000 0.904 46 L HN 0.261 nan 8.230 nan 0.000 0.435 47 E N -0.397 119.789 120.200 -0.024 0.000 2.072 47 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 47 E C 2.192 178.809 176.600 0.030 0.000 0.985 47 E CA 1.320 57.719 56.400 -0.001 0.000 0.801 47 E CB -0.233 29.452 29.700 -0.026 0.000 0.750 47 E HN 0.447 nan 8.360 nan 0.000 0.452 48 L N 0.495 121.735 121.223 0.029 0.000 2.042 48 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 48 L C 2.278 179.221 176.870 0.121 0.000 1.076 48 L CA 1.650 56.514 54.840 0.040 0.000 0.749 48 L CB -0.884 41.190 42.059 0.025 0.000 0.893 48 L HN 0.126 nan 8.230 nan 0.000 0.432 49 Y N -0.123 120.184 120.300 0.013 0.000 2.224 49 Y HA -0.244 4.306 4.550 -0.001 0.000 0.289 49 Y C 2.540 178.542 175.900 0.170 0.000 1.146 49 Y CA 1.656 59.853 58.100 0.160 0.000 1.182 49 Y CB -0.652 37.906 38.460 0.162 0.000 0.983 49 Y HN 0.368 nan 8.280 nan 0.000 0.524 50 D N -0.526 119.991 120.400 0.196 0.000 2.144 50 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 50 D C 2.159 178.504 176.300 0.075 0.000 0.984 50 D CA 1.239 55.306 54.000 0.112 0.000 0.834 50 D CB 0.037 40.877 40.800 0.066 0.000 0.955 50 D HN 0.195 nan 8.370 nan 0.000 0.465 51 R N -1.014 119.514 120.500 0.047 0.000 2.100 51 R HA 0.149 4.488 4.340 -0.001 0.000 0.220 51 R C 0.826 177.111 176.300 -0.024 0.000 1.091 51 R CA 0.120 56.224 56.100 0.005 0.000 0.986 51 R CB 0.014 30.302 30.300 -0.020 0.000 0.888 51 R HN 0.239 nan 8.270 nan 0.000 0.444 52 M N 0.379 119.932 119.600 -0.079 0.000 2.252 52 M HA -0.063 4.417 4.480 -0.001 0.000 0.333 52 M C 1.424 177.680 176.300 -0.073 0.000 1.111 52 M CA 0.360 55.517 55.300 -0.239 0.000 1.140 52 M CB 1.259 33.423 32.600 -0.727 0.000 1.538 52 M HN 0.039 nan 8.290 nan 0.000 0.448 53 S N 1.213 116.858 115.700 -0.092 0.000 2.517 53 S HA 0.117 4.587 4.470 -0.001 0.000 0.214 53 S C 0.585 175.320 174.600 0.225 0.000 0.991 53 S CA -0.300 57.951 58.200 0.084 0.000 0.906 53 S CB -0.122 63.093 63.200 0.026 0.000 0.789 53 S HN 0.753 nan 8.310 nan 0.000 0.513 54 F N 0.772 120.653 119.950 -0.115 0.000 3.093 54 F HA -0.143 4.384 4.527 -0.000 0.000 0.287 54 F C 0.231 176.048 175.800 0.028 0.000 0.882 54 F CA 0.356 58.296 58.000 -0.100 0.000 1.063 54 F CB -1.985 36.927 39.000 -0.148 0.000 1.097 54 F HN 0.122 nan 8.300 nan 0.000 0.604 55 K N 1.079 121.568 120.400 0.148 0.000 2.350 55 K HA 0.163 4.483 4.320 -0.001 0.000 0.279 55 K C 0.282 177.002 176.600 0.200 0.000 1.027 55 K CA -0.143 56.233 56.287 0.149 0.000 0.969 55 K CB 0.571 33.118 32.500 0.078 0.000 0.954 55 K HN 0.092 nan 8.250 nan 0.000 0.474 56 D N 3.479 124.007 120.400 0.213 0.000 2.557 56 D HA 0.159 4.798 4.640 -0.001 0.000 0.236 56 D C -0.169 176.175 176.300 0.073 0.000 1.154 56 D CA -0.470 53.658 54.000 0.213 0.000 0.985 56 D CB -0.510 40.418 40.800 0.213 0.000 1.010 56 D HN 0.490 nan 8.370 nan 0.000 0.516 57 I N -1.201 119.398 120.570 0.050 0.000 2.676 57 I HA 0.489 4.659 4.170 -0.001 0.000 0.309 57 I C 0.007 176.110 176.117 -0.023 0.000 0.990 57 I CA -0.913 60.393 61.300 0.011 0.000 1.168 57 I CB 1.525 39.532 38.000 0.012 0.000 1.343 57 I HN -0.105 nan 8.210 nan 0.000 0.482 58 D N 4.080 124.465 120.400 -0.025 0.000 2.342 58 D HA 0.151 4.791 4.640 -0.001 0.000 0.260 58 D C 0.990 177.272 176.300 -0.031 0.000 1.278 58 D CA 0.114 54.092 54.000 -0.036 0.000 0.910 58 D CB 1.353 42.140 40.800 -0.022 0.000 1.079 58 D HN 0.819 nan 8.370 nan 0.000 0.496 59 G N 2.470 111.233 108.800 -0.062 0.000 2.985 59 G HA2 0.414 4.374 3.960 -0.001 0.000 0.209 59 G HA3 0.414 4.374 3.960 -0.001 0.000 0.209 59 G C 0.893 175.785 174.900 -0.012 0.000 1.165 59 G CA 0.364 45.429 45.100 -0.059 0.000 0.776 59 G HN 0.914 nan 8.290 nan 0.000 0.541 60 G N -0.686 108.114 108.800 -0.001 0.000 2.418 60 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.206 60 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.206 60 G C 1.150 176.066 174.900 0.027 0.000 1.202 60 G CA 0.614 45.727 45.100 0.022 0.000 1.061 60 G HN 1.089 nan 8.290 nan 0.000 0.563 61 V N -3.629 116.300 119.914 0.024 0.000 2.392 61 V HA 0.031 4.150 4.120 -0.001 0.000 0.249 61 V C 1.450 177.563 176.094 0.032 0.000 1.059 61 V CA 2.469 64.765 62.300 -0.006 0.000 1.051 61 V CB -0.571 31.215 31.823 -0.060 0.000 0.658 61 V HN 1.422 nan 8.190 nan 0.000 0.455 62 W N 2.614 123.814 121.300 -0.167 0.000 2.318 62 W HA 0.450 5.109 4.660 -0.001 0.000 0.362 62 W C 1.094 177.562 176.519 -0.085 0.000 0.978 62 W CA -1.856 55.373 57.345 -0.192 0.000 1.509 62 W CB 0.261 29.569 29.460 -0.252 0.000 1.437 62 W HN 0.049 nan 8.180 nan 0.000 0.361 63 K N 2.603 123.073 120.400 0.116 0.000 2.160 63 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 63 K C 0.909 177.424 176.600 -0.141 0.000 1.047 63 K CA 1.532 57.804 56.287 -0.025 0.000 0.930 63 K CB 0.083 32.566 32.500 -0.028 0.000 0.720 63 K HN 0.580 nan 8.250 nan 0.000 0.450 64 Q N -0.893 118.784 119.800 -0.205 0.000 2.198 64 Q HA 0.165 4.505 4.340 -0.001 0.000 0.209 64 Q C 0.840 176.480 176.000 -0.601 0.000 0.848 64 Q CA -0.254 55.407 55.803 -0.237 0.000 0.974 64 Q CB 1.284 30.032 28.738 0.018 0.000 1.115 64 Q HN 0.245 nan 8.270 nan 0.000 0.494 65 G N 0.575 108.596 108.800 -1.298 0.000 3.364 65 G HA2 0.510 4.470 3.960 -0.001 0.000 0.191 65 G HA3 0.510 4.470 3.960 -0.001 0.000 0.191 65 G C -1.415 173.158 174.900 -0.544 0.000 1.352 65 G CA -0.263 43.771 45.100 -1.778 0.000 0.758 65 G HN 0.349 nan 8.290 nan 0.000 0.730 66 W N -1.238 119.760 121.300 -0.503 0.000 2.959 66 W HA 0.629 5.289 4.660 -0.000 0.000 0.358 66 W C -1.507 175.085 176.519 0.121 0.000 1.228 66 W CA -1.165 56.114 57.345 -0.109 0.000 1.183 66 W CB 0.624 30.040 29.460 -0.073 0.000 1.467 66 W HN 0.194 nan 8.180 nan 0.000 0.578 67 N N 2.210 121.060 118.700 0.250 0.000 2.399 67 N HA 0.236 4.976 4.740 -0.001 0.000 0.259 67 N C -0.242 175.403 175.510 0.226 0.000 1.160 67 N CA -0.015 53.133 53.050 0.163 0.000 0.946 67 N CB 0.546 39.127 38.487 0.157 0.000 1.156 67 N HN 0.401 nan 8.380 nan 0.000 0.489 68 I N 1.897 122.499 120.570 0.053 0.000 2.588 68 I HA 0.042 4.212 4.170 -0.001 0.000 0.283 68 I C 0.860 177.140 176.117 0.271 0.000 1.119 68 I CA 0.317 61.723 61.300 0.177 0.000 1.419 68 I CB 0.535 38.587 38.000 0.085 0.000 1.394 68 I HN 0.143 nan 8.210 nan 0.000 0.562 69 K N 5.644 126.242 120.400 0.331 0.000 2.328 69 K HA 0.606 4.926 4.320 -0.001 0.000 0.246 69 K C -1.439 175.327 176.600 0.276 0.000 0.955 69 K CA -0.721 55.691 56.287 0.209 0.000 0.817 69 K CB 2.537 35.121 32.500 0.140 0.000 1.208 69 K HN 0.498 nan 8.250 nan 0.000 0.432 70 Y N -1.959 118.429 120.300 0.147 0.000 2.615 70 Y HA 0.431 4.981 4.550 -0.001 0.000 0.341 70 Y C -1.181 174.788 175.900 0.115 0.000 1.089 70 Y CA -1.484 56.703 58.100 0.145 0.000 1.049 70 Y CB 1.131 39.697 38.460 0.176 0.000 1.296 70 Y HN 0.377 nan 8.280 nan 0.000 0.470 71 D N 2.508 123.046 120.400 0.229 0.000 2.347 71 D HA 0.355 4.994 4.640 -0.001 0.000 0.235 71 D C -1.955 174.494 176.300 0.248 0.000 1.149 71 D CA -2.625 51.452 54.000 0.128 0.000 0.850 71 D CB 1.694 42.549 40.800 0.092 0.000 1.061 71 D HN 0.372 nan 8.370 nan 0.000 0.487 72 P HA -0.112 nan 4.420 nan 0.000 0.217 72 P C 1.330 178.764 177.300 0.223 0.000 1.148 72 P CA 0.913 64.185 63.100 0.286 0.000 0.828 72 P CB 0.216 32.015 31.700 0.165 0.000 0.783 73 L N -1.037 120.266 121.223 0.134 0.000 2.610 73 L HA -0.002 4.338 4.340 -0.001 0.000 0.232 73 L C 2.378 179.281 176.870 0.055 0.000 1.149 73 L CA 0.613 55.508 54.840 0.092 0.000 0.872 73 L CB -0.598 41.494 42.059 0.056 0.000 0.992 73 L HN 0.000 nan 8.230 nan 0.000 0.447 74 K N 0.543 120.958 120.400 0.024 0.000 2.063 74 K HA -0.150 4.170 4.320 -0.001 0.000 0.208 74 K C 0.049 176.511 176.600 -0.230 0.000 1.048 74 K CA 1.217 57.407 56.287 -0.162 0.000 0.928 74 K CB 0.030 32.351 32.500 -0.298 0.000 0.713 74 K HN 0.113 nan 8.250 nan 0.000 0.442 75 Y N 0.788 121.210 120.300 0.204 0.000 2.361 75 Y HA 0.199 4.749 4.550 0.000 0.000 0.332 75 Y C 0.080 176.058 175.900 0.130 0.000 1.101 75 Y CA -0.878 57.333 58.100 0.185 0.000 1.137 75 Y CB 1.381 39.898 38.460 0.096 0.000 1.207 75 Y HN 0.312 nan 8.280 nan 0.000 0.463 76 N N -0.301 118.549 118.700 0.250 0.000 3.277 76 N HA 0.438 5.177 4.740 -0.001 0.000 0.278 76 N C 0.073 175.604 175.510 0.035 0.000 1.544 76 N CA -0.367 52.753 53.050 0.116 0.000 0.869 76 N CB 0.317 38.851 38.487 0.077 0.000 1.584 76 N HN 0.490 nan 8.380 nan 0.000 0.564 77 A N -1.072 121.681 122.820 -0.111 0.000 1.997 77 A HA -0.240 4.080 4.320 -0.001 0.000 0.221 77 A C 0.962 178.377 177.584 -0.282 0.000 1.172 77 A CA 1.722 53.604 52.037 -0.259 0.000 0.645 77 A CB -1.126 17.606 19.000 -0.446 0.000 0.813 77 A HN 0.704 nan 8.150 nan 0.000 0.454 78 H N -3.135 115.995 119.070 0.100 0.000 2.586 78 H HA 0.191 4.746 4.556 -0.001 0.000 0.273 78 H C -0.351 175.086 175.328 0.181 0.000 0.997 78 H CA 0.628 56.739 56.048 0.105 0.000 1.177 78 H CB 0.092 29.902 29.762 0.080 0.000 1.471 78 H HN 0.738 nan 8.280 nan 0.000 0.538 79 H N 0.582 119.734 119.070 0.137 0.000 2.852 79 H HA 0.307 4.863 4.556 -0.000 0.000 0.274 79 H C -0.734 174.733 175.328 0.232 0.000 1.321 79 H CA -0.469 55.676 56.048 0.162 0.000 1.582 79 H CB 0.250 30.093 29.762 0.135 0.000 1.699 79 H HN -0.054 nan 8.280 nan 0.000 0.546 80 K N 2.165 122.543 120.400 -0.036 0.000 2.087 80 K HA 0.320 4.639 4.320 -0.001 0.000 0.255 80 K C -0.723 175.705 176.600 -0.286 0.000 0.988 80 K CA -1.287 54.952 56.287 -0.081 0.000 0.915 80 K CB 1.693 34.137 32.500 -0.094 0.000 1.043 80 K HN 0.237 nan 8.250 nan 0.000 0.457 81 L N 2.426 123.348 121.223 -0.501 0.000 2.278 81 L HA 0.165 4.505 4.340 -0.001 0.000 0.287 81 L C -0.877 175.713 176.870 -0.467 0.000 1.072 81 L CA 0.224 54.634 54.840 -0.717 0.000 0.819 81 L CB 0.166 41.591 42.059 -1.057 0.000 1.176 81 L HN 0.378 nan 8.230 nan 0.000 0.435 82 K N 4.748 124.899 120.400 -0.415 0.000 2.248 82 K HA 0.515 4.835 4.320 -0.001 0.000 0.281 82 K C -1.102 175.125 176.600 -0.622 0.000 1.054 82 K CA -0.622 55.368 56.287 -0.495 0.000 0.903 82 K CB 1.613 33.873 32.500 -0.401 0.000 1.077 82 K HN 0.395 nan 8.250 nan 0.000 0.474 83 V N 4.775 124.202 119.914 -0.812 0.000 2.448 83 V HA 0.365 4.484 4.120 -0.001 0.000 0.295 83 V C -0.870 174.646 176.094 -0.964 0.000 1.025 83 V CA -0.795 60.984 62.300 -0.868 0.000 0.859 83 V CB 0.697 31.834 31.823 -1.143 0.000 0.988 83 V HN 0.573 nan 8.190 nan 0.000 0.431 84 F N 3.645 123.342 119.950 -0.421 0.000 2.361 84 F HA 0.506 5.032 4.527 -0.001 0.000 0.364 84 F C 0.164 175.787 175.800 -0.296 0.000 1.117 84 F CA -0.783 57.027 58.000 -0.317 0.000 1.071 84 F CB 1.796 40.682 39.000 -0.191 0.000 1.188 84 F HN 0.187 nan 8.300 nan 0.000 0.464 85 V N 5.161 125.047 119.914 -0.047 0.000 2.385 85 V HA 0.272 4.391 4.120 -0.001 0.000 0.269 85 V C -0.216 175.981 176.094 0.171 0.000 1.043 85 V CA -0.633 61.704 62.300 0.063 0.000 0.906 85 V CB 1.218 33.153 31.823 0.186 0.000 0.995 85 V HN 0.439 nan 8.190 nan 0.000 0.467 86 V N 8.150 128.114 119.914 0.083 0.000 2.293 86 V HA 0.321 4.440 4.120 -0.001 0.000 0.275 86 V C -2.373 173.764 176.094 0.071 0.000 1.021 86 V CA -1.992 60.325 62.300 0.029 0.000 0.815 86 V CB 1.360 33.112 31.823 -0.119 0.000 1.025 86 V HN 0.710 nan 8.190 nan 0.000 0.448 87 P HA 0.342 nan 4.420 nan 0.000 0.271 87 P C -0.824 176.495 177.300 0.031 0.000 1.216 87 P CA 0.277 63.356 63.100 -0.035 0.000 0.776 87 P CB 0.368 31.858 31.700 -0.351 0.000 0.881 88 H N -1.284 117.808 119.070 0.037 0.000 2.981 88 H HA 0.782 5.337 4.556 -0.001 0.000 0.327 88 H C -1.535 173.911 175.328 0.197 0.000 1.342 88 H CA -1.100 54.864 56.048 -0.139 0.000 1.123 88 H CB 0.840 30.451 29.762 -0.251 0.000 1.851 88 H HN 0.212 nan 8.280 nan 0.000 0.531 89 S N 0.582 116.322 115.700 0.067 0.000 2.720 89 S HA 0.221 4.690 4.470 -0.001 0.000 0.278 89 S C -1.861 172.678 174.600 -0.102 0.000 1.172 89 S CA -0.668 57.612 58.200 0.133 0.000 1.019 89 S CB 0.282 63.755 63.200 0.455 0.000 1.049 89 S HN 0.849 nan 8.310 nan 0.000 0.483 90 H N 4.395 123.384 119.070 -0.134 0.000 2.864 90 H HA 0.428 4.983 4.556 -0.001 0.000 0.281 90 H C -0.119 174.807 175.328 -0.670 0.000 1.093 90 H CA 0.261 56.142 56.048 -0.279 0.000 1.453 90 H CB 0.250 29.942 29.762 -0.116 0.000 1.462 90 H HN 0.555 nan 8.280 nan 0.000 0.480 91 N N 5.510 123.583 118.700 -1.045 0.000 2.564 91 N HA 0.051 4.791 4.740 -0.001 0.000 0.248 91 N C -1.140 173.956 175.510 -0.691 0.000 0.986 91 N CA -0.583 51.723 53.050 -1.240 0.000 0.921 91 N CB 1.009 39.056 38.487 -0.733 0.000 1.136 91 N HN 0.659 nan 8.380 nan 0.000 0.509 92 D N 2.546 122.580 120.400 -0.610 0.000 2.371 92 D HA 0.095 4.734 4.640 -0.001 0.000 0.256 92 D C -2.052 174.335 176.300 0.146 0.000 1.193 92 D CA -0.836 53.079 54.000 -0.142 0.000 0.881 92 D CB 1.416 42.409 40.800 0.323 0.000 1.143 92 D HN 0.184 nan 8.370 nan 0.000 0.473 93 P HA 0.196 nan 4.420 nan 0.000 0.226 93 P C -0.101 177.401 177.300 0.336 0.000 1.783 93 P CA 0.029 63.133 63.100 0.007 0.000 0.980 93 P CB 0.232 31.793 31.700 -0.232 0.000 1.967 94 G N 0.305 109.494 108.800 0.649 0.000 2.911 94 G HA2 0.025 3.985 3.960 -0.001 0.000 0.686 94 G HA3 0.025 3.985 3.960 -0.001 0.000 0.686 94 G C -1.096 174.363 174.900 0.932 0.000 1.136 94 G CA -0.619 44.909 45.100 0.713 0.000 0.764 94 G HN 0.344 nan 8.290 nan 0.000 0.626 95 W N 2.216 123.877 121.300 0.602 0.000 4.511 95 W HA 0.261 4.921 4.660 -0.000 0.000 0.159 95 W C 0.859 177.576 176.519 0.330 0.000 3.471 95 W CA 0.971 58.636 57.345 0.535 0.000 1.173 95 W CB -0.828 29.031 29.460 0.665 0.000 2.090 95 W HN 0.540 nan 8.180 nan 0.000 0.393 96 I N 1.915 122.503 120.570 0.031 0.000 2.852 96 I HA 0.150 4.319 4.170 -0.001 0.000 0.264 96 I C 0.545 176.546 176.117 -0.193 0.000 1.179 96 I CA 1.119 62.251 61.300 -0.280 0.000 1.480 96 I CB -1.112 36.687 38.000 -0.336 0.000 1.111 96 I HN 0.101 nan 8.210 nan 0.000 0.441 97 Q N -0.139 119.381 119.800 -0.466 0.000 2.496 97 Q HA 0.375 4.714 4.340 -0.001 0.000 0.286 97 Q C 0.087 175.832 176.000 -0.424 0.000 1.103 97 Q CA -0.626 54.846 55.803 -0.553 0.000 0.813 97 Q CB 2.199 30.292 28.738 -1.075 0.000 1.444 97 Q HN 0.238 nan 8.270 nan 0.000 0.443 98 T N -2.172 112.239 114.554 -0.238 0.000 2.788 98 T HA 0.138 4.487 4.350 -0.001 0.000 0.287 98 T C 0.796 175.572 174.700 0.126 0.000 1.007 98 T CA -0.487 61.548 62.100 -0.107 0.000 1.005 98 T CB 0.314 69.144 68.868 -0.064 0.000 1.012 98 T HN 0.567 nan 8.240 nan 0.000 0.530 99 F N 1.216 121.225 119.950 0.099 0.000 2.063 99 F HA -0.156 4.371 4.527 -0.001 0.000 0.298 99 F C 2.469 178.449 175.800 0.300 0.000 1.109 99 F CA 2.393 60.532 58.000 0.231 0.000 1.212 99 F CB -0.351 38.674 39.000 0.042 0.000 0.973 99 F HN 0.777 nan 8.300 nan 0.000 0.480 100 E N 0.371 120.781 120.200 0.350 0.000 2.150 100 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 100 E C 1.995 178.641 176.600 0.077 0.000 0.985 100 E CA 1.686 58.231 56.400 0.242 0.000 0.814 100 E CB -0.284 29.557 29.700 0.236 0.000 0.752 100 E HN 0.625 nan 8.360 nan 0.000 0.466 101 E N -1.037 119.137 120.200 -0.042 0.000 2.047 101 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 101 E C 1.796 178.143 176.600 -0.421 0.000 0.987 101 E CA 1.128 57.317 56.400 -0.352 0.000 0.799 101 E CB -0.231 29.315 29.700 -0.256 0.000 0.752 101 E HN 0.357 nan 8.360 nan 0.000 0.449 102 Y N -0.553 119.665 120.300 -0.138 0.000 2.242 102 Y HA -0.226 4.323 4.550 -0.001 0.000 0.291 102 Y C 2.193 178.010 175.900 -0.138 0.000 1.137 102 Y CA 1.098 59.106 58.100 -0.153 0.000 1.181 102 Y CB -0.671 37.797 38.460 0.013 0.000 0.989 102 Y HN 0.174 nan 8.280 nan 0.000 0.527 103 Y N 0.863 121.169 120.300 0.009 0.000 2.181 103 Y HA -0.271 4.279 4.550 -0.001 0.000 0.288 103 Y C 2.227 178.086 175.900 -0.067 0.000 1.146 103 Y CA 1.768 59.824 58.100 -0.074 0.000 1.164 103 Y CB -0.265 38.150 38.460 -0.074 0.000 0.982 103 Y HN 0.058 nan 8.280 nan 0.000 0.515 104 Q N -0.657 119.059 119.800 -0.138 0.000 2.083 104 Q HA -0.152 4.188 4.340 -0.001 0.000 0.198 104 Q C 2.074 178.077 176.000 0.004 0.000 0.969 104 Q CA 2.091 57.799 55.803 -0.157 0.000 0.838 104 Q CB -0.568 28.147 28.738 -0.040 0.000 0.900 104 Q HN 0.778 nan 8.270 nan 0.000 0.436 105 H N -0.663 118.428 119.070 0.036 0.000 2.512 105 H HA 0.054 4.610 4.556 -0.001 0.000 0.279 105 H C 0.850 176.274 175.328 0.159 0.000 0.999 105 H CA 0.558 56.663 56.048 0.094 0.000 1.283 105 H CB 0.663 30.444 29.762 0.032 0.000 1.421 105 H HN 0.212 nan 8.280 nan 0.000 0.554 106 D N -1.001 119.499 120.400 0.167 0.000 3.081 106 D HA 0.000 4.640 4.640 -0.001 0.000 0.243 106 D C 1.785 178.136 176.300 0.085 0.000 1.388 106 D CA 0.506 54.601 54.000 0.158 0.000 1.245 106 D CB -0.034 40.776 40.800 0.017 0.000 1.319 106 D HN 0.060 nan 8.370 nan 0.000 0.377 107 T N 2.756 117.277 114.554 -0.056 0.000 2.720 107 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 107 T C 1.946 176.460 174.700 -0.310 0.000 1.037 107 T CA 1.742 63.762 62.100 -0.133 0.000 1.144 107 T CB -0.187 68.452 68.868 -0.382 0.000 0.864 107 T HN 0.265 nan 8.240 nan 0.000 0.444 108 K N 0.750 120.763 120.400 -0.644 0.000 2.147 108 K HA -0.158 4.162 4.320 -0.001 0.000 0.205 108 K C 1.975 178.320 176.600 -0.424 0.000 1.049 108 K CA 1.466 57.376 56.287 -0.628 0.000 0.936 108 K CB -0.396 31.559 32.500 -0.908 0.000 0.722 108 K HN 0.418 nan 8.250 nan 0.000 0.446 109 H N 1.000 119.998 119.070 -0.120 0.000 2.395 109 H HA 0.064 4.620 4.556 -0.001 0.000 0.299 109 H C 2.290 177.630 175.328 0.020 0.000 1.070 109 H CA 1.349 57.390 56.048 -0.011 0.000 1.356 109 H CB -0.149 29.632 29.762 0.031 0.000 1.401 109 H HN 0.184 nan 8.280 nan 0.000 0.524 110 I N 0.776 121.432 120.570 0.144 0.000 2.163 110 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 110 I C 2.415 178.560 176.117 0.047 0.000 1.085 110 I CA 1.136 62.572 61.300 0.226 0.000 1.347 110 I CB -0.256 37.945 38.000 0.336 0.000 1.044 110 I HN 0.092 nan 8.210 nan 0.000 0.408 111 L N -0.527 120.492 121.223 -0.340 0.000 2.109 111 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 111 L C 2.718 179.254 176.870 -0.556 0.000 1.086 111 L CA 1.080 55.469 54.840 -0.753 0.000 0.760 111 L CB -0.520 40.444 42.059 -1.825 0.000 0.910 111 L HN 0.224 nan 8.230 nan 0.000 0.437 112 S N 0.263 115.770 115.700 -0.321 0.000 2.356 112 S HA -0.159 4.311 4.470 -0.001 0.000 0.223 112 S C 1.829 176.429 174.600 0.000 0.000 1.032 112 S CA 1.574 59.833 58.200 0.098 0.000 1.005 112 S CB -0.164 63.146 63.200 0.184 0.000 0.867 112 S HN 0.442 nan 8.310 nan 0.000 0.449 113 N N 1.659 120.358 118.700 -0.002 0.000 2.270 113 N HA 0.081 4.820 4.740 -0.001 0.000 0.181 113 N C 1.799 177.026 175.510 -0.472 0.000 1.016 113 N CA 1.120 54.124 53.050 -0.076 0.000 0.870 113 N CB -0.783 37.776 38.487 0.120 0.000 0.979 113 N HN 0.499 nan 8.380 nan 0.000 0.431 114 A N 1.110 123.695 122.820 -0.393 0.000 1.902 114 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 114 A C 2.202 179.509 177.584 -0.463 0.000 1.181 114 A CA 0.942 52.573 52.037 -0.677 0.000 0.623 114 A CB -0.694 18.199 19.000 -0.180 0.000 0.818 114 A HN 0.224 nan 8.150 nan 0.000 0.443 115 L N 0.055 121.157 121.223 -0.203 0.000 1.994 115 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 115 L C 2.481 179.274 176.870 -0.128 0.000 1.071 115 L CA 2.547 57.340 54.840 -0.080 0.000 0.745 115 L CB -0.690 41.394 42.059 0.042 0.000 0.892 115 L HN 0.490 nan 8.230 nan 0.000 0.431 116 R N -1.600 118.793 120.500 -0.178 0.000 2.070 116 R HA -0.194 4.146 4.340 -0.001 0.000 0.233 116 R C 2.389 178.479 176.300 -0.350 0.000 1.137 116 R CA 1.781 57.757 56.100 -0.206 0.000 0.945 116 R CB -0.557 29.622 30.300 -0.202 0.000 0.845 116 R HN 0.567 nan 8.270 nan 0.000 0.430 117 H N 0.480 119.265 119.070 -0.476 0.000 2.353 117 H HA -0.083 4.472 4.556 -0.001 0.000 0.300 117 H C 2.251 177.353 175.328 -0.377 0.000 1.090 117 H CA 1.727 57.465 56.048 -0.516 0.000 1.327 117 H CB 0.007 29.180 29.762 -0.983 0.000 1.383 117 H HN 0.244 nan 8.280 nan 0.000 0.508 118 L N -0.259 120.765 121.223 -0.332 0.000 2.093 118 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 118 L C 2.726 179.540 176.870 -0.093 0.000 1.085 118 L CA 0.993 55.729 54.840 -0.173 0.000 0.755 118 L CB -0.685 41.293 42.059 -0.134 0.000 0.904 118 L HN 0.393 nan 8.230 nan 0.000 0.435 119 H N 0.789 119.769 119.070 -0.149 0.000 2.319 119 H HA -0.215 4.340 4.556 -0.001 0.000 0.297 119 H C 1.276 176.546 175.328 -0.097 0.000 1.097 119 H CA 2.142 58.130 56.048 -0.100 0.000 1.285 119 H CB 0.213 29.915 29.762 -0.101 0.000 1.368 119 H HN 0.339 nan 8.280 nan 0.000 0.495 120 D N 0.192 120.449 120.400 -0.237 0.000 2.347 120 D HA -0.032 4.608 4.640 -0.001 0.000 0.215 120 D C -0.040 176.166 176.300 -0.157 0.000 0.976 120 D CA 0.571 54.426 54.000 -0.242 0.000 0.884 120 D CB -0.182 40.509 40.800 -0.181 0.000 0.915 120 D HN 0.409 nan 8.370 nan 0.000 0.526 121 N N 0.231 118.863 118.700 -0.113 0.000 2.716 121 N HA 0.171 4.910 4.740 -0.001 0.000 0.253 121 N C -2.173 173.325 175.510 -0.019 0.000 1.170 121 N CA -1.120 51.912 53.050 -0.029 0.000 0.807 121 N CB 2.245 40.752 38.487 0.032 0.000 1.183 121 N HN -0.226 nan 8.380 nan 0.000 0.524 122 P HA -0.196 nan 4.420 nan 0.000 0.217 122 P C 0.784 178.107 177.300 0.038 0.000 1.148 122 P CA 1.246 64.340 63.100 -0.010 0.000 0.834 122 P CB 0.421 32.112 31.700 -0.015 0.000 0.783 123 E N -2.226 118.026 120.200 0.086 0.000 2.442 123 E HA 0.073 4.422 4.350 -0.001 0.000 0.195 123 E C 0.739 177.466 176.600 0.213 0.000 1.030 123 E CA 0.003 56.498 56.400 0.157 0.000 0.869 123 E CB -0.480 29.345 29.700 0.207 0.000 0.857 123 E HN 0.117 nan 8.360 nan 0.000 0.505 124 M N 0.988 120.650 119.600 0.102 0.000 2.243 124 M HA 0.169 4.648 4.480 -0.001 0.000 0.341 124 M C -0.661 175.611 176.300 -0.046 0.000 1.130 124 M CA 0.228 55.481 55.300 -0.078 0.000 1.162 124 M CB 0.508 33.050 32.600 -0.097 0.000 1.497 124 M HN -0.332 nan 8.290 nan 0.000 0.456 125 K N 2.923 123.256 120.400 -0.112 0.000 2.444 125 K HA 0.659 4.979 4.320 -0.001 0.000 0.252 125 K C -1.739 174.888 176.600 0.046 0.000 0.993 125 K CA -0.533 55.751 56.287 -0.005 0.000 0.847 125 K CB 2.299 34.822 32.500 0.040 0.000 1.340 125 K HN 0.674 nan 8.250 nan 0.000 0.446 126 F N 1.442 121.301 119.950 -0.151 0.000 2.672 126 F HA 0.425 4.951 4.527 -0.001 0.000 0.311 126 F C -1.584 174.100 175.800 -0.192 0.000 1.113 126 F CA -1.170 56.725 58.000 -0.174 0.000 0.996 126 F CB 1.002 39.979 39.000 -0.038 0.000 1.286 126 F HN 0.449 nan 8.300 nan 0.000 0.441 127 I N 1.911 122.147 120.570 -0.558 0.000 2.562 127 I HA 0.582 4.751 4.170 -0.001 0.000 0.301 127 I C -1.729 173.951 176.117 -0.728 0.000 1.003 127 I CA -0.616 60.315 61.300 -0.616 0.000 1.127 127 I CB 2.454 40.027 38.000 -0.712 0.000 1.304 127 I HN 0.714 nan 8.210 nan 0.000 0.446 128 W N 4.758 125.644 121.300 -0.690 0.000 2.839 128 W HA 0.632 5.292 4.660 -0.001 0.000 0.334 128 W C -0.623 175.802 176.519 -0.156 0.000 1.064 128 W CA -0.557 56.513 57.345 -0.458 0.000 1.236 128 W CB 2.638 31.887 29.460 -0.351 0.000 1.405 128 W HN 0.803 nan 8.180 nan 0.000 0.478 129 A N 3.535 125.986 122.820 -0.614 0.000 1.963 129 A HA 0.121 4.440 4.320 -0.001 0.000 0.207 129 A C 0.097 177.629 177.584 -0.088 0.000 1.243 129 A CA 0.521 52.428 52.037 -0.217 0.000 0.728 129 A CB -0.088 18.839 19.000 -0.123 0.000 0.895 129 A HN 0.534 nan 8.150 nan 0.000 0.467 130 E N 1.176 121.201 120.200 -0.291 0.000 1.941 130 E HA 0.266 4.615 4.350 -0.001 0.000 0.275 130 E C 0.503 177.273 176.600 0.282 0.000 1.113 130 E CA -0.253 56.153 56.400 0.011 0.000 0.878 130 E CB 0.567 30.270 29.700 0.005 0.000 1.070 130 E HN 0.303 nan 8.360 nan 0.000 0.399 131 I N 1.472 122.115 120.570 0.121 0.000 2.546 131 I HA -0.219 3.951 4.170 -0.001 0.000 0.255 131 I C 1.992 177.799 176.117 -0.517 0.000 1.163 131 I CA 0.973 62.280 61.300 0.011 0.000 1.457 131 I CB -1.437 36.619 38.000 0.094 0.000 1.092 131 I HN 0.415 nan 8.210 nan 0.000 0.434 132 S N 0.837 115.915 115.700 -1.036 0.000 2.372 132 S HA -0.278 4.191 4.470 -0.001 0.000 0.227 132 S C 2.207 176.514 174.600 -0.489 0.000 1.044 132 S CA 1.388 58.556 58.200 -1.720 0.000 1.050 132 S CB -1.227 61.023 63.200 -1.582 0.000 0.901 132 S HN 0.477 nan 8.310 nan 0.000 0.447 133 Y N 0.157 120.476 120.300 0.031 0.000 2.200 133 Y HA 0.015 4.565 4.550 -0.001 0.000 0.290 133 Y C 2.329 178.287 175.900 0.097 0.000 1.137 133 Y CA 1.107 59.317 58.100 0.184 0.000 1.163 133 Y CB -0.410 38.259 38.460 0.349 0.000 0.988 133 Y HN 0.291 nan 8.280 nan 0.000 0.518 134 F N 0.187 120.231 119.950 0.156 0.000 2.134 134 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 134 F C 2.318 177.932 175.800 -0.310 0.000 1.097 134 F CA 1.261 59.209 58.000 -0.086 0.000 1.264 134 F CB -0.433 38.511 39.000 -0.094 0.000 1.001 134 F HN -0.014 nan 8.300 nan 0.000 0.479 135 A N 0.142 122.604 122.820 -0.597 0.000 1.898 135 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 135 A C 2.150 179.571 177.584 -0.271 0.000 1.181 135 A CA 1.662 53.108 52.037 -0.985 0.000 0.620 135 A CB -0.739 17.523 19.000 -1.230 0.000 0.819 135 A HN 0.400 nan 8.150 nan 0.000 0.442 136 R N -1.080 119.325 120.500 -0.157 0.000 2.091 136 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 136 R C 1.747 177.990 176.300 -0.096 0.000 1.136 136 R CA 2.018 58.046 56.100 -0.119 0.000 0.959 136 R CB -0.811 29.346 30.300 -0.238 0.000 0.856 136 R HN 0.457 nan 8.270 nan 0.000 0.437 137 F N -0.140 119.712 119.950 -0.164 0.000 2.060 137 F HA -0.133 4.393 4.527 -0.001 0.000 0.295 137 F C 1.964 177.681 175.800 -0.139 0.000 1.120 137 F CA 1.711 59.686 58.000 -0.041 0.000 1.205 137 F CB -1.009 37.886 39.000 -0.174 0.000 0.986 137 F HN 0.106 nan 8.300 nan 0.000 0.470 138 Y N 0.527 120.588 120.300 -0.397 0.000 2.151 138 Y HA -0.320 4.229 4.550 -0.001 0.000 0.284 138 Y C 2.785 178.462 175.900 -0.372 0.000 1.166 138 Y CA 2.425 60.266 58.100 -0.431 0.000 1.163 138 Y CB -0.735 37.598 38.460 -0.211 0.000 0.974 138 Y HN 0.177 nan 8.280 nan 0.000 0.511 139 H N -0.935 118.151 119.070 0.027 0.000 2.491 139 H HA -0.092 4.464 4.556 -0.001 0.000 0.290 139 H C 1.194 176.432 175.328 -0.150 0.000 1.050 139 H CA 1.435 57.459 56.048 -0.040 0.000 1.309 139 H CB -0.101 29.677 29.762 0.027 0.000 1.392 139 H HN 0.452 nan 8.280 nan 0.000 0.554 140 D N 0.170 120.494 120.400 -0.127 0.000 2.347 140 D HA 0.052 4.692 4.640 -0.001 0.000 0.213 140 D C 0.724 176.850 176.300 -0.289 0.000 0.985 140 D CA 0.093 53.996 54.000 -0.160 0.000 0.879 140 D CB 0.236 40.973 40.800 -0.105 0.000 0.919 140 D HN 0.198 nan 8.370 nan 0.000 0.526 141 L N 0.494 121.440 121.223 -0.462 0.000 2.439 141 L HA 0.295 4.635 4.340 -0.001 0.000 0.269 141 L C 1.396 178.073 176.870 -0.321 0.000 1.179 141 L CA -0.527 54.030 54.840 -0.472 0.000 0.828 141 L CB 0.792 42.479 42.059 -0.619 0.000 1.106 141 L HN -0.031 nan 8.230 nan 0.000 0.467 142 G N 0.607 109.265 108.800 -0.237 0.000 2.572 142 G HA2 0.070 4.030 3.960 -0.001 0.000 0.261 142 G HA3 0.070 4.030 3.960 -0.001 0.000 0.261 142 G C 0.614 175.412 174.900 -0.170 0.000 1.197 142 G CA -0.298 44.705 45.100 -0.163 0.000 0.870 142 G HN 0.769 nan 8.290 nan 0.000 0.548 143 E N 0.076 120.208 120.200 -0.114 0.000 2.085 143 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 143 E C 2.213 178.767 176.600 -0.077 0.000 0.994 143 E CA 1.594 57.942 56.400 -0.087 0.000 0.801 143 E CB -0.162 29.514 29.700 -0.041 0.000 0.743 143 E HN 0.589 nan 8.360 nan 0.000 0.453 144 N N 0.014 118.671 118.700 -0.073 0.000 2.069 144 N HA -0.199 4.540 4.740 -0.001 0.000 0.191 144 N C 1.443 176.903 175.510 -0.083 0.000 1.031 144 N CA 1.396 54.406 53.050 -0.066 0.000 0.852 144 N CB 0.021 38.468 38.487 -0.067 0.000 1.018 144 N HN 0.029 nan 8.380 nan 0.000 0.423 145 K N 1.241 121.572 120.400 -0.115 0.000 2.103 145 K HA -0.023 4.297 4.320 -0.001 0.000 0.204 145 K C 2.023 178.564 176.600 -0.098 0.000 1.052 145 K CA 0.701 56.917 56.287 -0.118 0.000 0.945 145 K CB -0.249 32.158 32.500 -0.155 0.000 0.722 145 K HN 0.320 nan 8.250 nan 0.000 0.443 146 K N 0.811 121.103 120.400 -0.179 0.000 2.103 146 K HA -0.074 4.245 4.320 -0.001 0.000 0.207 146 K C 2.214 178.869 176.600 0.092 0.000 1.048 146 K CA 1.012 57.197 56.287 -0.170 0.000 0.930 146 K CB -0.161 32.111 32.500 -0.380 0.000 0.716 146 K HN 0.060 nan 8.250 nan 0.000 0.444 147 L N 0.821 122.070 121.223 0.042 0.000 2.109 147 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 147 L C 2.482 179.400 176.870 0.081 0.000 1.086 147 L CA 1.119 56.005 54.840 0.077 0.000 0.760 147 L CB -0.323 41.758 42.059 0.038 0.000 0.910 147 L HN 0.242 nan 8.230 nan 0.000 0.437 148 Q N -0.782 119.040 119.800 0.037 0.000 2.119 148 Q HA -0.242 4.097 4.340 -0.001 0.000 0.201 148 Q C 2.173 178.240 176.000 0.111 0.000 0.972 148 Q CA 1.498 57.321 55.803 0.033 0.000 0.847 148 Q CB -0.141 28.547 28.738 -0.083 0.000 0.903 148 Q HN 0.366 nan 8.270 nan 0.000 0.433 149 M N 1.229 120.927 119.600 0.164 0.000 2.099 149 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 149 M C 1.630 178.110 176.300 0.300 0.000 1.067 149 M CA 1.754 57.223 55.300 0.282 0.000 1.124 149 M CB 0.030 32.890 32.600 0.434 0.000 1.353 149 M HN -0.115 nan 8.290 nan 0.000 0.410 150 K N -0.975 119.603 120.400 0.297 0.000 2.152 150 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 150 K C 2.273 178.970 176.600 0.163 0.000 1.048 150 K CA 1.532 57.963 56.287 0.239 0.000 0.933 150 K CB -0.413 32.213 32.500 0.211 0.000 0.721 150 K HN 0.415 nan 8.250 nan 0.000 0.447 151 S N 1.537 117.322 115.700 0.141 0.000 2.368 151 S HA -0.076 4.394 4.470 -0.001 0.000 0.224 151 S C 1.915 176.573 174.600 0.097 0.000 1.029 151 S CA 0.962 59.227 58.200 0.107 0.000 0.988 151 S CB -0.191 63.071 63.200 0.104 0.000 0.838 151 S HN 0.400 nan 8.310 nan 0.000 0.462 152 I N -1.014 119.622 120.570 0.110 0.000 3.111 152 I HA 0.087 4.256 4.170 -0.001 0.000 0.272 152 I C 1.750 177.902 176.117 0.058 0.000 1.268 152 I CA 0.538 61.885 61.300 0.077 0.000 1.467 152 I CB -0.260 37.785 38.000 0.074 0.000 1.087 152 I HN 0.098 nan 8.210 nan 0.000 0.467 153 V N 1.599 121.567 119.914 0.091 0.000 2.379 153 V HA -0.161 3.958 4.120 -0.001 0.000 0.243 153 V C 2.678 178.809 176.094 0.062 0.000 1.035 153 V CA 1.852 64.195 62.300 0.072 0.000 1.035 153 V CB -0.576 31.355 31.823 0.180 0.000 0.673 153 V HN 0.413 nan 8.190 nan 0.000 0.457 154 K N 1.577 122.022 120.400 0.076 0.000 2.063 154 K HA -0.251 4.069 4.320 -0.001 0.000 0.208 154 K C 1.775 178.395 176.600 0.033 0.000 1.048 154 K CA 2.057 58.376 56.287 0.053 0.000 0.928 154 K CB -0.255 32.278 32.500 0.055 0.000 0.713 154 K HN 0.654 nan 8.250 nan 0.000 0.442 155 N N -0.631 118.088 118.700 0.033 0.000 2.461 155 N HA -0.012 4.728 4.740 -0.001 0.000 0.188 155 N C 0.907 176.422 175.510 0.009 0.000 1.134 155 N CA 1.209 54.271 53.050 0.021 0.000 0.878 155 N CB 0.436 38.938 38.487 0.024 0.000 0.972 155 N HN 0.391 nan 8.380 nan 0.000 0.456 156 G N -0.390 108.410 108.800 0.000 0.000 2.175 156 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.244 156 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.244 156 G C 0.862 175.747 174.900 -0.025 0.000 0.982 156 G CA 0.418 45.507 45.100 -0.018 0.000 0.641 156 G HN 0.445 nan 8.290 nan 0.000 0.527 157 Q N -0.853 118.940 119.800 -0.011 0.000 2.083 157 Q HA 0.250 4.589 4.340 -0.001 0.000 0.198 157 Q C 1.325 177.312 176.000 -0.020 0.000 0.969 157 Q CA 0.865 56.665 55.803 -0.006 0.000 0.838 157 Q CB 0.284 29.024 28.738 0.004 0.000 0.900 157 Q HN 0.550 nan 8.270 nan 0.000 0.436 158 L N 1.544 122.735 121.223 -0.053 0.000 2.287 158 L HA 0.356 4.696 4.340 -0.001 0.000 0.287 158 L C -1.071 175.616 176.870 -0.305 0.000 1.022 158 L CA -0.252 54.511 54.840 -0.128 0.000 0.814 158 L CB 1.382 43.378 42.059 -0.105 0.000 1.217 158 L HN 0.050 nan 8.230 nan 0.000 0.420 159 E N 4.697 124.678 120.200 -0.366 0.000 2.210 159 E HA 0.352 4.702 4.350 -0.001 0.000 0.266 159 E C -1.606 174.714 176.600 -0.466 0.000 0.883 159 E CA -0.715 55.468 56.400 -0.361 0.000 0.761 159 E CB 1.500 31.079 29.700 -0.202 0.000 1.156 159 E HN 0.469 nan 8.360 nan 0.000 0.412 160 F N 3.255 123.151 119.950 -0.090 0.000 2.427 160 F HA 0.228 4.755 4.527 -0.001 0.000 0.352 160 F C 0.309 176.073 175.800 -0.060 0.000 1.100 160 F CA -0.603 57.357 58.000 -0.067 0.000 1.191 160 F CB 1.296 40.270 39.000 -0.044 0.000 1.128 160 F HN 0.206 nan 8.300 nan 0.000 0.533 161 V N 0.231 120.201 119.914 0.092 0.000 2.459 161 V HA 0.619 4.739 4.120 -0.001 0.000 0.295 161 V C 0.234 176.459 176.094 0.219 0.000 1.029 161 V CA -0.469 61.883 62.300 0.087 0.000 0.874 161 V CB 0.865 32.615 31.823 -0.121 0.000 0.985 161 V HN 1.003 nan 8.190 nan 0.000 0.438 162 T N 3.437 118.202 114.554 0.353 0.000 13.097 162 T HA -0.292 4.058 4.350 -0.001 0.000 0.418 162 T C 1.711 176.652 174.700 0.401 0.000 1.446 162 T CA 2.769 65.131 62.100 0.437 0.000 2.371 162 T CB -1.685 67.332 68.868 0.248 0.000 2.810 162 T HN 2.764 nan 8.240 nan 0.000 0.655 163 G N 1.743 110.712 108.800 0.283 0.000 2.136 163 G HA2 0.110 4.069 3.960 -0.001 0.000 0.242 163 G HA3 0.110 4.069 3.960 -0.001 0.000 0.242 163 G C 0.297 175.343 174.900 0.244 0.000 0.989 163 G CA 0.590 45.832 45.100 0.236 0.000 0.682 163 G HN 1.547 nan 8.290 nan 0.000 0.522 164 G N -1.644 107.297 108.800 0.236 0.000 2.537 164 G HA2 0.384 4.343 3.960 -0.001 0.000 0.273 164 G HA3 0.384 4.343 3.960 -0.001 0.000 0.273 164 G C 0.953 176.033 174.900 0.300 0.000 1.189 164 G CA 0.145 45.394 45.100 0.250 0.000 0.881 164 G HN 0.340 nan 8.290 nan 0.000 0.535 165 W N 0.407 121.753 121.300 0.078 0.000 2.342 165 W HA -0.036 4.623 4.660 -0.001 0.000 0.297 165 W C 0.712 177.260 176.519 0.050 0.000 1.213 165 W CA 1.887 59.262 57.345 0.050 0.000 1.251 165 W CB 0.265 29.735 29.460 0.017 0.000 1.136 165 W HN 0.412 nan 8.180 nan 0.000 0.526 166 V N -2.684 117.349 119.914 0.199 0.000 3.084 166 V HA 0.518 4.638 4.120 -0.001 0.000 0.311 166 V C -0.496 175.686 176.094 0.147 0.000 1.311 166 V CA -1.245 61.114 62.300 0.098 0.000 1.062 166 V CB 1.709 33.604 31.823 0.119 0.000 1.113 166 V HN -0.066 nan 8.190 nan 0.000 0.468 167 M N 3.804 123.524 119.600 0.199 0.000 2.060 167 M HA 0.537 5.016 4.480 -0.001 0.000 0.342 167 M C -2.775 173.697 176.300 0.287 0.000 1.031 167 M CA -1.926 53.509 55.300 0.226 0.000 0.981 167 M CB 1.610 34.379 32.600 0.282 0.000 1.376 167 M HN 0.664 nan 8.290 nan 0.000 0.397 168 P HA 0.090 nan 4.420 nan 0.000 0.272 168 P C -0.918 176.397 177.300 0.026 0.000 1.230 168 P CA -0.072 63.086 63.100 0.097 0.000 0.788 168 P CB 0.542 32.281 31.700 0.064 0.000 0.949 169 D N 0.642 121.016 120.400 -0.044 0.000 2.423 169 D HA -0.051 4.589 4.640 -0.001 0.000 0.238 169 D C 0.574 176.880 176.300 0.009 0.000 1.142 169 D CA 0.537 54.482 54.000 -0.091 0.000 0.884 169 D CB 0.392 41.145 40.800 -0.077 0.000 1.199 169 D HN 0.306 nan 8.370 nan 0.000 0.438 170 E N 1.528 121.778 120.200 0.084 0.000 2.526 170 E HA 0.220 4.569 4.350 -0.001 0.000 0.208 170 E C 0.706 177.470 176.600 0.274 0.000 0.997 170 E CA -0.073 56.443 56.400 0.194 0.000 0.961 170 E CB 0.796 30.637 29.700 0.234 0.000 1.030 170 E HN 0.471 nan 8.360 nan 0.000 0.483 171 A N 1.416 124.332 122.820 0.160 0.000 1.909 171 A HA 0.029 4.348 4.320 -0.001 0.000 0.209 171 A C 1.817 179.265 177.584 -0.225 0.000 1.247 171 A CA 0.464 52.350 52.037 -0.251 0.000 0.660 171 A CB 0.022 18.817 19.000 -0.341 0.000 0.910 171 A HN 0.035 nan 8.150 nan 0.000 0.465 172 N N 0.990 119.649 118.700 -0.068 0.000 2.415 172 N HA -0.008 4.732 4.740 -0.001 0.000 0.176 172 N C 0.515 176.002 175.510 -0.039 0.000 1.042 172 N CA 0.793 53.806 53.050 -0.062 0.000 0.902 172 N CB -0.059 38.439 38.487 0.018 0.000 0.986 172 N HN 0.509 nan 8.380 nan 0.000 0.447 173 S N 0.877 116.564 115.700 -0.021 0.000 2.562 173 S HA 0.011 4.481 4.470 -0.001 0.000 0.281 173 S C 0.037 174.639 174.600 0.003 0.000 1.333 173 S CA -0.549 57.651 58.200 -0.001 0.000 1.052 173 S CB 1.070 64.276 63.200 0.009 0.000 0.884 173 S HN 0.214 nan 8.310 nan 0.000 0.506 174 H N 3.432 122.474 119.070 -0.046 0.000 2.610 174 H HA 0.048 4.604 4.556 -0.001 0.000 0.336 174 H C 1.259 176.549 175.328 -0.063 0.000 1.087 174 H CA -0.387 55.619 56.048 -0.069 0.000 1.405 174 H CB 0.519 30.194 29.762 -0.145 0.000 1.460 174 H HN 1.026 nan 8.280 nan 0.000 0.538 175 W N 5.854 127.111 121.300 -0.072 0.000 2.350 175 W HA -0.178 4.482 4.660 -0.000 0.000 0.289 175 W C 1.082 177.688 176.519 0.145 0.000 1.215 175 W CA 0.412 57.771 57.345 0.023 0.000 1.236 175 W CB -0.484 28.933 29.460 -0.072 0.000 1.130 175 W HN 0.533 nan 8.180 nan 0.000 0.541 176 R N 0.827 120.916 120.500 -0.684 0.000 2.096 176 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 176 R C 1.986 178.105 176.300 -0.302 0.000 1.127 176 R CA 1.954 57.546 56.100 -0.847 0.000 0.968 176 R CB -0.467 29.268 30.300 -0.942 0.000 0.861 176 R HN 0.135 nan 8.270 nan 0.000 0.440 177 N N -0.195 118.414 118.700 -0.151 0.000 2.409 177 N HA -0.055 4.684 4.740 -0.001 0.000 0.179 177 N C 1.632 177.139 175.510 -0.005 0.000 1.032 177 N CA 0.660 53.669 53.050 -0.068 0.000 0.898 177 N CB 0.085 38.553 38.487 -0.032 0.000 0.971 177 N HN 0.017 nan 8.380 nan 0.000 0.441 178 V N 1.111 121.046 119.914 0.035 0.000 2.427 178 V HA -0.132 3.988 4.120 -0.001 0.000 0.248 178 V C 2.254 178.393 176.094 0.074 0.000 1.051 178 V CA 0.903 63.246 62.300 0.071 0.000 1.048 178 V CB -0.400 31.488 31.823 0.108 0.000 0.666 178 V HN 0.186 nan 8.190 nan 0.000 0.456 179 L N -0.236 121.038 121.223 0.085 0.000 2.056 179 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 179 L C 2.170 179.053 176.870 0.022 0.000 1.078 179 L CA 1.755 56.642 54.840 0.079 0.000 0.749 179 L CB -0.708 41.429 42.059 0.130 0.000 0.901 179 L HN 0.263 nan 8.230 nan 0.000 0.433 180 L N 0.059 121.271 121.223 -0.018 0.000 1.990 180 L HA -0.269 4.070 4.340 -0.001 0.000 0.213 180 L C 2.615 179.475 176.870 -0.016 0.000 1.072 180 L CA 2.472 57.290 54.840 -0.036 0.000 0.755 180 L CB -0.897 41.120 42.059 -0.070 0.000 0.889 180 L HN 0.689 nan 8.230 nan 0.000 0.432 181 Q N -0.999 118.812 119.800 0.019 0.000 2.167 181 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 181 Q C 2.029 178.113 176.000 0.140 0.000 0.970 181 Q CA 2.114 57.964 55.803 0.079 0.000 0.855 181 Q CB -1.189 27.634 28.738 0.142 0.000 0.911 181 Q HN 0.486 nan 8.270 nan 0.000 0.438 182 L N 0.738 122.029 121.223 0.113 0.000 2.046 182 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 182 L C 1.887 178.840 176.870 0.138 0.000 1.077 182 L CA 2.378 57.299 54.840 0.136 0.000 0.747 182 L CB -0.908 41.208 42.059 0.095 0.000 0.896 182 L HN 0.331 nan 8.230 nan 0.000 0.432 183 T N -1.060 113.544 114.554 0.083 0.000 2.777 183 T HA -0.166 4.184 4.350 -0.001 0.000 0.266 183 T C 1.715 176.469 174.700 0.090 0.000 1.040 183 T CA 1.369 63.510 62.100 0.069 0.000 1.141 183 T CB -0.158 68.724 68.868 0.023 0.000 0.868 183 T HN 0.316 nan 8.240 nan 0.000 0.444 184 E N 1.085 121.311 120.200 0.044 0.000 2.051 184 E HA -0.050 4.300 4.350 -0.001 0.000 0.192 184 E C 2.347 179.073 176.600 0.210 0.000 0.991 184 E CA 1.572 57.954 56.400 -0.030 0.000 0.799 184 E CB -0.877 28.624 29.700 -0.331 0.000 0.748 184 E HN 0.444 nan 8.360 nan 0.000 0.449 185 G N -0.050 108.979 108.800 0.382 0.000 2.404 185 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.215 185 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.215 185 G C 1.477 176.602 174.900 0.375 0.000 1.174 185 G CA 0.713 46.128 45.100 0.525 0.000 0.780 185 G HN 0.272 nan 8.290 nan 0.000 0.537 186 Q N -0.156 119.798 119.800 0.256 0.000 2.167 186 Q HA -0.072 4.268 4.340 -0.001 0.000 0.202 186 Q C 2.771 178.865 176.000 0.157 0.000 0.970 186 Q CA 1.498 57.410 55.803 0.182 0.000 0.855 186 Q CB -0.255 28.573 28.738 0.151 0.000 0.911 186 Q HN 0.414 nan 8.270 nan 0.000 0.438 187 T N 0.072 114.732 114.554 0.177 0.000 2.821 187 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 187 T C 1.076 175.876 174.700 0.168 0.000 1.046 187 T CA 0.969 63.150 62.100 0.135 0.000 1.139 187 T CB -0.332 68.612 68.868 0.126 0.000 0.871 187 T HN 0.469 nan 8.240 nan 0.000 0.454 188 W N 1.638 123.041 121.300 0.171 0.000 2.355 188 W HA -0.020 4.639 4.660 -0.001 0.000 0.309 188 W C 1.769 178.408 176.519 0.201 0.000 1.206 188 W CA 0.872 58.396 57.345 0.298 0.000 1.284 188 W CB -0.465 29.229 29.460 0.390 0.000 1.145 188 W HN 0.138 nan 8.180 nan 0.000 0.502 189 L N 0.606 121.989 121.223 0.267 0.000 2.046 189 L HA -0.254 4.086 4.340 -0.001 0.000 0.208 189 L C 2.611 179.388 176.870 -0.155 0.000 1.077 189 L CA 1.942 56.771 54.840 -0.019 0.000 0.747 189 L CB -0.979 41.032 42.059 -0.080 0.000 0.896 189 L HN -0.023 nan 8.230 nan 0.000 0.432 190 K N 0.007 120.351 120.400 -0.094 0.000 2.032 190 K HA -0.281 4.039 4.320 -0.001 0.000 0.209 190 K C 2.207 178.671 176.600 -0.225 0.000 1.048 190 K CA 1.799 58.013 56.287 -0.122 0.000 0.927 190 K CB -0.078 32.379 32.500 -0.072 0.000 0.712 190 K HN 0.244 nan 8.250 nan 0.000 0.441 191 Q N -0.776 118.831 119.800 -0.322 0.000 2.050 191 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 191 Q C 1.535 177.065 176.000 -0.784 0.000 0.980 191 Q CA 1.887 57.351 55.803 -0.565 0.000 0.840 191 Q CB 0.004 28.313 28.738 -0.715 0.000 0.898 191 Q HN 0.356 nan 8.270 nan 0.000 0.424 192 F N -1.564 117.999 119.950 -0.645 0.000 2.656 192 F HA 0.145 4.672 4.527 -0.001 0.000 0.291 192 F C 1.704 177.190 175.800 -0.523 0.000 1.122 192 F CA 0.097 57.670 58.000 -0.712 0.000 1.427 192 F CB 0.487 38.649 39.000 -1.397 0.000 1.125 192 F HN 0.104 nan 8.300 nan 0.000 0.583 193 M N -0.795 118.638 119.600 -0.278 0.000 2.292 193 M HA 0.201 4.681 4.480 -0.001 0.000 0.286 193 M C 0.280 176.549 176.300 -0.052 0.000 1.002 193 M CA 0.261 55.504 55.300 -0.096 0.000 1.029 193 M CB -0.600 31.959 32.600 -0.068 0.000 1.537 193 M HN 0.082 nan 8.290 nan 0.000 0.543 194 N N 1.883 120.517 118.700 -0.110 0.000 2.740 194 N HA -0.138 4.602 4.740 -0.001 0.000 0.248 194 N C -1.035 174.452 175.510 -0.039 0.000 1.062 194 N CA 0.754 53.759 53.050 -0.075 0.000 0.704 194 N CB -1.006 37.451 38.487 -0.049 0.000 0.968 194 N HN 0.333 nan 8.380 nan 0.000 0.547 195 V N -3.866 116.024 119.914 -0.040 0.000 3.087 195 V HA 0.856 4.976 4.120 -0.001 0.000 0.306 195 V C -0.057 176.018 176.094 -0.032 0.000 1.187 195 V CA -0.501 61.791 62.300 -0.012 0.000 0.999 195 V CB 2.300 34.161 31.823 0.064 0.000 1.049 195 V HN 0.056 nan 8.190 nan 0.000 0.431 196 T N 3.870 118.397 114.554 -0.045 0.000 2.930 196 T HA 0.575 4.925 4.350 -0.001 0.000 0.313 196 T C -2.733 171.883 174.700 -0.140 0.000 1.019 196 T CA -0.791 61.264 62.100 -0.074 0.000 1.004 196 T CB 1.387 70.203 68.868 -0.087 0.000 0.987 196 T HN 0.760 nan 8.240 nan 0.000 0.456 197 P HA 0.156 nan 4.420 nan 0.000 0.266 197 P C 0.826 177.730 177.300 -0.659 0.000 1.195 197 P CA -0.102 62.876 63.100 -0.204 0.000 0.768 197 P CB 0.533 32.229 31.700 -0.006 0.000 0.838 198 T N -1.759 112.460 114.554 -0.558 0.000 3.043 198 T HA 0.540 4.890 4.350 -0.001 0.000 0.272 198 T C 0.306 174.789 174.700 -0.362 0.000 0.990 198 T CA -0.294 61.345 62.100 -0.768 0.000 0.897 198 T CB 0.157 68.804 68.868 -0.368 0.000 1.111 198 T HN 0.404 nan 8.240 nan 0.000 0.529 199 A N 0.854 123.629 122.820 -0.076 0.000 2.355 199 A HA 0.810 5.129 4.320 -0.001 0.000 0.317 199 A C -0.168 177.701 177.584 0.476 0.000 1.094 199 A CA -0.688 51.481 52.037 0.220 0.000 0.764 199 A CB 1.815 20.963 19.000 0.246 0.000 1.230 199 A HN 0.253 nan 8.150 nan 0.000 0.448 200 S N 1.949 117.923 115.700 0.457 0.000 2.549 200 S HA 0.681 5.151 4.470 -0.001 0.000 0.297 200 S C -1.168 173.633 174.600 0.336 0.000 1.115 200 S CA -0.430 57.973 58.200 0.338 0.000 1.059 200 S CB 0.777 63.996 63.200 0.032 0.000 1.046 200 S HN 0.799 nan 8.310 nan 0.000 0.506 201 W N 4.559 125.882 121.300 0.037 0.000 2.543 201 W HA 0.625 5.284 4.660 -0.001 0.000 0.318 201 W C -1.437 175.035 176.519 -0.078 0.000 1.002 201 W CA -0.816 56.502 57.345 -0.045 0.000 1.302 201 W CB 1.022 30.425 29.460 -0.094 0.000 1.299 201 W HN 0.773 nan 8.180 nan 0.000 0.424 202 A N 7.856 130.544 122.820 -0.221 0.000 2.842 202 A HA 0.277 4.597 4.320 -0.001 0.000 0.339 202 A C 0.379 177.722 177.584 -0.402 0.000 1.177 202 A CA -0.487 51.422 52.037 -0.214 0.000 0.797 202 A CB -0.391 18.604 19.000 -0.009 0.000 1.094 202 A HN 0.703 nan 8.150 nan 0.000 0.474 203 I N -2.727 117.419 120.570 -0.705 0.000 3.728 203 I HA 0.261 4.431 4.170 -0.001 0.000 0.307 203 I C 0.697 176.527 176.117 -0.478 0.000 1.276 203 I CA 0.867 61.712 61.300 -0.758 0.000 1.285 203 I CB 0.364 37.585 38.000 -1.298 0.000 1.038 203 I HN 0.327 nan 8.210 nan 0.000 0.445 204 D N 0.321 120.426 120.400 -0.492 0.000 2.480 204 D HA 0.250 4.889 4.640 -0.001 0.000 0.243 204 D C -2.220 173.703 176.300 -0.628 0.000 1.120 204 D CA -0.718 52.989 54.000 -0.488 0.000 0.835 204 D CB 0.182 40.632 40.800 -0.583 0.000 1.204 204 D HN 0.173 nan 8.370 nan 0.000 0.513 205 P HA 0.038 nan 4.420 nan 0.000 0.267 205 P C -0.484 176.405 177.300 -0.684 0.000 1.200 205 P CA 0.052 62.653 63.100 -0.832 0.000 0.772 205 P CB 0.173 31.537 31.700 -0.560 0.000 0.855 206 F N 2.251 121.960 119.950 -0.401 0.000 2.652 206 F HA 0.519 5.045 4.527 -0.001 0.000 0.352 206 F C 1.452 177.190 175.800 -0.103 0.000 1.259 206 F CA -0.624 57.098 58.000 -0.464 0.000 1.249 206 F CB -1.314 37.546 39.000 -0.234 0.000 1.628 206 F HN 0.486 nan 8.300 nan 0.000 0.654 207 G N 1.267 109.833 108.800 -0.390 0.000 2.629 207 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.686 207 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.686 207 G C -1.507 173.030 174.900 -0.605 0.000 1.232 207 G CA -1.186 43.787 45.100 -0.212 0.000 0.803 207 G HN 0.598 nan 8.290 nan 0.000 0.638 208 H N -0.390 118.394 119.070 -0.477 0.000 2.637 208 H HA 0.757 5.313 4.556 -0.001 0.000 0.363 208 H C -0.283 174.951 175.328 -0.157 0.000 1.131 208 H CA 0.033 55.992 56.048 -0.148 0.000 1.183 208 H CB 2.069 31.910 29.762 0.132 0.000 1.637 208 H HN 0.673 nan 8.280 nan 0.000 0.531 209 S N 2.493 118.337 115.700 0.240 0.000 2.501 209 S HA 0.254 4.724 4.470 -0.001 0.000 0.301 209 S C -1.771 172.807 174.600 -0.036 0.000 1.096 209 S CA -1.771 56.564 58.200 0.225 0.000 1.063 209 S CB 1.352 64.738 63.200 0.311 0.000 1.042 209 S HN 0.460 nan 8.310 nan 0.000 0.494 210 P HA 0.021 nan 4.420 nan 0.000 0.237 210 P C 1.071 178.085 177.300 -0.477 0.000 1.178 210 P CA 0.684 63.290 63.100 -0.824 0.000 0.766 210 P CB -0.254 31.118 31.700 -0.547 0.000 0.876 211 T N -0.158 114.266 114.554 -0.217 0.000 2.849 211 T HA -0.102 4.247 4.350 -0.001 0.000 0.270 211 T C 1.826 176.485 174.700 -0.069 0.000 1.066 211 T CA 1.203 63.231 62.100 -0.119 0.000 1.130 211 T CB -0.381 68.462 68.868 -0.041 0.000 0.864 211 T HN -0.002 nan 8.240 nan 0.000 0.481 212 M N 0.948 120.462 119.600 -0.144 0.000 2.064 212 M HA 0.008 4.487 4.480 -0.001 0.000 0.260 212 M C -0.564 175.614 176.300 -0.203 0.000 1.073 212 M CA 1.162 56.382 55.300 -0.132 0.000 1.124 212 M CB -2.491 30.056 32.600 -0.088 0.000 1.326 212 M HN 0.127 nan 8.290 nan 0.000 0.410 213 P HA -0.211 nan 4.420 nan 0.000 0.218 213 P C 1.656 178.851 177.300 -0.174 0.000 1.148 213 P CA 1.459 64.398 63.100 -0.267 0.000 0.822 213 P CB -0.410 31.063 31.700 -0.378 0.000 0.784 214 Y N 1.326 121.449 120.300 -0.295 0.000 2.053 214 Y HA -0.239 4.311 4.550 -0.001 0.000 0.277 214 Y C 2.469 178.293 175.900 -0.128 0.000 1.159 214 Y CA 1.802 59.788 58.100 -0.190 0.000 1.125 214 Y CB -1.102 37.261 38.460 -0.162 0.000 0.969 214 Y HN -0.235 nan 8.280 nan 0.000 0.492 215 I N -0.378 120.219 120.570 0.046 0.000 2.202 215 I HA -0.330 3.840 4.170 -0.001 0.000 0.242 215 I C 2.350 178.396 176.117 -0.118 0.000 1.091 215 I CA 1.351 62.636 61.300 -0.026 0.000 1.368 215 I CB -0.508 37.547 38.000 0.093 0.000 1.058 215 I HN 0.265 nan 8.210 nan 0.000 0.410 216 L N 0.114 121.223 121.223 -0.191 0.000 2.012 216 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 216 L C 2.696 179.559 176.870 -0.012 0.000 1.073 216 L CA 1.306 55.978 54.840 -0.280 0.000 0.748 216 L CB -0.807 40.895 42.059 -0.595 0.000 0.891 216 L HN 0.366 nan 8.230 nan 0.000 0.431 217 Q N 1.175 120.932 119.800 -0.072 0.000 2.226 217 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 217 Q C 1.659 177.619 176.000 -0.066 0.000 0.975 217 Q CA 1.499 57.278 55.803 -0.040 0.000 0.866 217 Q CB 0.109 28.797 28.738 -0.084 0.000 0.915 217 Q HN 0.475 nan 8.270 nan 0.000 0.440 218 K N -0.543 119.775 120.400 -0.137 0.000 2.458 218 K HA 0.123 4.443 4.320 -0.001 0.000 0.194 218 K C 0.650 177.209 176.600 -0.068 0.000 1.024 218 K CA 0.085 56.282 56.287 -0.150 0.000 1.108 218 K CB 0.542 32.878 32.500 -0.272 0.000 0.846 218 K HN -0.081 nan 8.250 nan 0.000 0.518 219 S N -0.263 115.453 115.700 0.028 0.000 2.754 219 S HA 0.198 4.667 4.470 -0.001 0.000 0.247 219 S C 0.765 175.460 174.600 0.159 0.000 1.031 219 S CA 0.127 58.389 58.200 0.104 0.000 1.014 219 S CB 1.290 64.596 63.200 0.176 0.000 0.918 219 S HN 0.526 nan 8.310 nan 0.000 0.519 220 G N 1.217 110.066 108.800 0.081 0.000 2.176 220 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.253 220 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.253 220 G C 0.003 174.883 174.900 -0.033 0.000 0.979 220 G CA -0.358 44.739 45.100 -0.005 0.000 0.641 220 G HN 0.438 nan 8.290 nan 0.000 0.530 221 F N 0.290 120.202 119.950 -0.064 0.000 2.450 221 F HA 0.569 5.095 4.527 -0.001 0.000 0.339 221 F C 1.601 177.346 175.800 -0.092 0.000 1.146 221 F CA 0.103 58.063 58.000 -0.068 0.000 1.267 221 F CB 0.883 39.848 39.000 -0.058 0.000 1.178 221 F HN -0.188 nan 8.300 nan 0.000 0.585 222 K N 0.824 121.240 120.400 0.028 0.000 2.464 222 K HA 0.245 4.565 4.320 -0.001 0.000 0.206 222 K C -0.598 175.944 176.600 -0.098 0.000 1.186 222 K CA 0.092 56.339 56.287 -0.068 0.000 0.990 222 K CB 0.246 32.657 32.500 -0.149 0.000 1.003 222 K HN 0.625 nan 8.250 nan 0.000 0.562 223 N N 0.275 118.907 118.700 -0.114 0.000 2.484 223 N HA 0.473 5.213 4.740 -0.001 0.000 0.269 223 N C -1.125 174.252 175.510 -0.221 0.000 1.237 223 N CA -0.659 52.167 53.050 -0.374 0.000 0.838 223 N CB 2.262 40.009 38.487 -1.233 0.000 1.593 223 N HN -0.112 nan 8.380 nan 0.000 0.485 224 M N -0.197 119.262 119.600 -0.235 0.000 2.578 224 M HA 0.624 5.104 4.480 -0.001 0.000 0.276 224 M C -2.135 174.217 176.300 0.086 0.000 1.245 224 M CA -0.939 54.356 55.300 -0.009 0.000 0.871 224 M CB 2.468 35.060 32.600 -0.013 0.000 1.722 224 M HN 0.509 nan 8.290 nan 0.000 0.473 225 L N 3.651 124.942 121.223 0.115 0.000 2.408 225 L HA 0.872 5.212 4.340 -0.001 0.000 0.268 225 L C -1.546 175.195 176.870 -0.215 0.000 0.986 225 L CA -0.693 54.169 54.840 0.037 0.000 0.820 225 L CB 2.051 44.192 42.059 0.137 0.000 1.303 225 L HN 0.941 nan 8.230 nan 0.000 0.411 226 I N 1.017 121.364 120.570 -0.372 0.000 3.042 226 I HA 0.622 4.792 4.170 -0.001 0.000 0.310 226 I C -0.681 175.123 176.117 -0.522 0.000 1.117 226 I CA -0.566 60.321 61.300 -0.688 0.000 1.003 226 I CB 2.265 39.554 38.000 -1.185 0.000 1.228 226 I HN 0.765 nan 8.210 nan 0.000 0.443 227 Q N 2.328 121.893 119.800 -0.391 0.000 2.563 227 Q HA 0.333 4.672 4.340 -0.001 0.000 0.236 227 Q C 0.031 175.921 176.000 -0.183 0.000 0.792 227 Q CA 0.350 56.000 55.803 -0.255 0.000 0.960 227 Q CB 0.531 29.122 28.738 -0.245 0.000 1.304 227 Q HN 0.660 nan 8.270 nan 0.000 0.566 228 R N 2.152 122.555 120.500 -0.161 0.000 2.612 228 R HA 0.314 4.654 4.340 -0.001 0.000 0.273 228 R C -0.655 175.385 176.300 -0.435 0.000 1.376 228 R CA 0.628 56.399 56.100 -0.550 0.000 1.171 228 R CB 0.094 29.705 30.300 -1.148 0.000 1.151 228 R HN 0.413 nan 8.270 nan 0.000 0.560 229 T N -2.509 112.008 114.554 -0.061 0.000 2.916 229 T HA 0.135 4.485 4.350 -0.001 0.000 0.292 229 T C -0.010 174.940 174.700 0.418 0.000 1.055 229 T CA -0.916 61.272 62.100 0.146 0.000 1.009 229 T CB 1.726 70.520 68.868 -0.123 0.000 1.118 229 T HN 0.425 nan 8.240 nan 0.000 0.497 230 H N 1.692 120.984 119.070 0.369 0.000 3.115 230 H HA -0.045 4.510 4.556 -0.001 0.000 0.324 230 H C 1.030 176.401 175.328 0.072 0.000 1.007 230 H CA 0.480 56.638 56.048 0.182 0.000 1.385 230 H CB 0.328 30.221 29.762 0.219 0.000 1.351 230 H HN 0.917 nan 8.280 nan 0.000 0.592 231 Y N 2.250 122.653 120.300 0.172 0.000 2.274 231 Y HA -0.164 4.386 4.550 -0.001 0.000 0.290 231 Y C 2.253 178.331 175.900 0.297 0.000 1.145 231 Y CA 0.900 59.138 58.100 0.231 0.000 1.203 231 Y CB -0.713 37.822 38.460 0.124 0.000 0.984 231 Y HN 0.312 nan 8.280 nan 0.000 0.533 232 S N 0.490 116.199 115.700 0.015 0.000 2.382 232 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 232 S C 2.100 176.617 174.600 -0.138 0.000 1.027 232 S CA 1.328 59.447 58.200 -0.136 0.000 0.991 232 S CB -0.656 62.204 63.200 -0.566 0.000 0.823 232 S HN 0.377 nan 8.310 nan 0.000 0.469 233 V N 1.872 121.766 119.914 -0.034 0.000 2.358 233 V HA -0.173 3.946 4.120 -0.001 0.000 0.246 233 V C 2.288 178.420 176.094 0.063 0.000 1.047 233 V CA 1.589 63.903 62.300 0.023 0.000 1.035 233 V CB -0.523 31.427 31.823 0.211 0.000 0.658 233 V HN 0.406 nan 8.190 nan 0.000 0.452 234 K N 0.132 120.611 120.400 0.131 0.000 2.044 234 K HA -0.275 4.045 4.320 -0.001 0.000 0.210 234 K C 2.273 179.012 176.600 0.232 0.000 1.049 234 K CA 2.038 58.423 56.287 0.163 0.000 0.927 234 K CB -0.266 32.392 32.500 0.263 0.000 0.713 234 K HN 0.350 nan 8.250 nan 0.000 0.443 235 K N 1.152 121.693 120.400 0.235 0.000 2.032 235 K HA -0.253 4.067 4.320 -0.001 0.000 0.209 235 K C 2.150 178.857 176.600 0.179 0.000 1.048 235 K CA 1.900 58.332 56.287 0.242 0.000 0.927 235 K CB -0.018 32.549 32.500 0.112 0.000 0.712 235 K HN -0.007 nan 8.250 nan 0.000 0.441 236 E N 0.761 120.983 120.200 0.036 0.000 2.031 236 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 236 E C 1.939 178.539 176.600 0.001 0.000 0.994 236 E CA 1.585 57.964 56.400 -0.035 0.000 0.800 236 E CB -0.207 29.422 29.700 -0.119 0.000 0.752 236 E HN 0.362 nan 8.360 nan 0.000 0.447 237 L N -0.165 121.068 121.223 0.015 0.000 2.093 237 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 237 L C 2.548 179.443 176.870 0.042 0.000 1.085 237 L CA 0.909 55.752 54.840 0.004 0.000 0.755 237 L CB -0.663 41.382 42.059 -0.023 0.000 0.904 237 L HN 0.212 nan 8.230 nan 0.000 0.435 238 A N -0.062 122.834 122.820 0.126 0.000 1.892 238 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 238 A C 2.224 179.994 177.584 0.309 0.000 1.188 238 A CA 1.912 54.086 52.037 0.227 0.000 0.631 238 A CB -0.598 18.723 19.000 0.534 0.000 0.822 238 A HN 0.477 nan 8.150 nan 0.000 0.447 239 Q N -1.122 118.822 119.800 0.241 0.000 2.226 239 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 239 Q C 1.348 177.343 176.000 -0.009 0.000 0.975 239 Q CA 1.301 57.092 55.803 -0.020 0.000 0.866 239 Q CB -0.003 28.579 28.738 -0.260 0.000 0.915 239 Q HN 0.623 nan 8.270 nan 0.000 0.440 240 Q N -0.258 119.549 119.800 0.012 0.000 2.247 240 Q HA 0.146 4.486 4.340 -0.001 0.000 0.204 240 Q C -0.450 175.569 176.000 0.031 0.000 0.872 240 Q CA -0.021 55.784 55.803 0.005 0.000 0.951 240 Q CB 0.682 29.413 28.738 -0.012 0.000 1.099 240 Q HN 0.277 nan 8.270 nan 0.000 0.501 241 R N 0.760 121.284 120.500 0.039 0.000 3.322 241 R HA -0.214 4.126 4.340 -0.001 0.000 0.253 241 R C -0.036 176.299 176.300 0.059 0.000 0.987 241 R CA 0.485 56.599 56.100 0.023 0.000 0.666 241 R CB -1.914 28.425 30.300 0.066 0.000 1.072 241 R HN 0.388 nan 8.270 nan 0.000 0.447 242 Q N 0.037 119.861 119.800 0.040 0.000 2.186 242 Q HA 0.195 4.535 4.340 -0.001 0.000 0.241 242 Q C 1.290 177.374 176.000 0.139 0.000 0.849 242 Q CA -0.230 55.633 55.803 0.099 0.000 1.053 242 Q CB 0.511 29.270 28.738 0.036 0.000 1.146 242 Q HN 0.446 nan 8.270 nan 0.000 0.475 243 L N 0.066 121.301 121.223 0.020 0.000 2.395 243 L HA 0.012 4.351 4.340 -0.001 0.000 0.218 243 L C 0.364 177.234 176.870 0.001 0.000 1.130 243 L CA 1.006 55.829 54.840 -0.028 0.000 0.826 243 L CB 0.250 42.101 42.059 -0.348 0.000 0.941 243 L HN 0.180 nan 8.230 nan 0.000 0.451 244 E N 0.108 120.353 120.200 0.075 0.000 2.158 244 E HA 0.513 4.862 4.350 -0.001 0.000 0.271 244 E C -1.205 175.310 176.600 -0.142 0.000 0.911 244 E CA -0.523 55.727 56.400 -0.250 0.000 0.767 244 E CB 1.494 31.201 29.700 0.012 0.000 1.120 244 E HN 0.005 nan 8.360 nan 0.000 0.405 245 F N -0.170 119.523 119.950 -0.427 0.000 2.686 245 F HA 0.483 5.009 4.527 -0.001 0.000 0.311 245 F C -1.577 174.107 175.800 -0.194 0.000 1.128 245 F CA -1.410 56.481 58.000 -0.182 0.000 0.946 245 F CB 0.763 39.691 39.000 -0.121 0.000 1.336 245 F HN 0.146 nan 8.300 nan 0.000 0.457 246 L N 2.514 123.884 121.223 0.246 0.000 2.268 246 L HA 0.187 4.527 4.340 -0.001 0.000 0.289 246 L C -1.089 176.011 176.870 0.384 0.000 1.064 246 L CA -0.250 54.735 54.840 0.240 0.000 0.824 246 L CB 0.555 42.765 42.059 0.251 0.000 1.202 246 L HN 0.579 nan 8.230 nan 0.000 0.433 247 W N 6.759 128.173 121.300 0.189 0.000 2.416 247 W HA 0.326 4.986 4.660 -0.001 0.000 0.318 247 W C 0.282 176.831 176.519 0.051 0.000 1.150 247 W CA -1.238 56.237 57.345 0.217 0.000 1.392 247 W CB 0.436 30.060 29.460 0.273 0.000 1.311 247 W HN 0.519 nan 8.180 nan 0.000 0.436 248 R N 3.618 124.294 120.500 0.294 0.000 2.758 248 R HA 0.537 4.877 4.340 -0.001 0.000 0.265 248 R C -0.137 176.073 176.300 -0.150 0.000 1.016 248 R CA -0.921 55.182 56.100 0.006 0.000 1.040 248 R CB 1.028 31.314 30.300 -0.023 0.000 1.152 248 R HN 0.212 nan 8.270 nan 0.000 0.503 249 Q N 1.527 121.076 119.800 -0.418 0.000 2.392 249 Q HA 0.051 4.391 4.340 -0.001 0.000 0.262 249 Q C 1.476 177.071 176.000 -0.675 0.000 1.003 249 Q CA 0.132 55.471 55.803 -0.774 0.000 0.888 249 Q CB 0.836 28.633 28.738 -1.569 0.000 1.260 249 Q HN 0.843 nan 8.270 nan 0.000 0.435 250 I N -1.595 118.707 120.570 -0.446 0.000 2.399 250 I HA -0.206 3.964 4.170 -0.001 0.000 0.254 250 I C 1.367 177.429 176.117 -0.091 0.000 1.146 250 I CA 1.551 62.745 61.300 -0.177 0.000 1.412 250 I CB -0.409 37.582 38.000 -0.015 0.000 1.076 250 I HN 0.694 nan 8.210 nan 0.000 0.432 251 W N 1.379 122.740 121.300 0.102 0.000 3.278 251 W HA 0.345 5.004 4.660 -0.000 0.000 0.308 251 W C 0.334 176.932 176.519 0.132 0.000 1.253 251 W CA -0.585 56.883 57.345 0.205 0.000 1.759 251 W CB -0.735 28.933 29.460 0.348 0.000 1.093 251 W HN -0.071 nan 8.180 nan 0.000 0.648 252 D N 2.078 122.220 120.400 -0.429 0.000 2.383 252 D HA -0.054 4.586 4.640 -0.001 0.000 0.245 252 D C 1.006 177.283 176.300 -0.039 0.000 1.263 252 D CA 0.303 54.184 54.000 -0.199 0.000 0.936 252 D CB 0.164 40.760 40.800 -0.339 0.000 1.053 252 D HN 0.166 nan 8.370 nan 0.000 0.507 253 N N 3.630 122.367 118.700 0.062 0.000 2.216 253 N HA -0.125 4.614 4.740 -0.001 0.000 0.183 253 N C 1.469 177.000 175.510 0.035 0.000 1.017 253 N CA 1.048 54.127 53.050 0.049 0.000 0.861 253 N CB 0.163 38.700 38.487 0.084 0.000 0.986 253 N HN 0.295 nan 8.380 nan 0.000 0.428 254 K N -1.137 119.289 120.400 0.043 0.000 2.167 254 K HA 0.079 4.398 4.320 -0.001 0.000 0.203 254 K C 0.620 177.236 176.600 0.026 0.000 1.052 254 K CA 0.972 57.282 56.287 0.037 0.000 0.956 254 K CB 0.026 32.553 32.500 0.045 0.000 0.735 254 K HN 0.263 nan 8.250 nan 0.000 0.451 255 G N 0.942 109.750 108.800 0.013 0.000 2.144 255 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.218 255 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.218 255 G C 0.171 175.078 174.900 0.012 0.000 0.988 255 G CA 0.378 45.485 45.100 0.011 0.000 0.659 255 G HN 0.382 nan 8.290 nan 0.000 0.522 256 D N 0.485 120.892 120.400 0.012 0.000 2.312 256 D HA -0.019 4.621 4.640 -0.001 0.000 0.211 256 D C 2.547 178.841 176.300 -0.011 0.000 0.964 256 D CA 1.680 55.684 54.000 0.008 0.000 0.877 256 D CB -0.137 40.673 40.800 0.018 0.000 0.924 256 D HN 0.668 nan 8.370 nan 0.000 0.515 257 T N -1.984 112.554 114.554 -0.026 0.000 3.129 257 T HA 0.312 4.662 4.350 -0.001 0.000 0.251 257 T C 1.001 175.672 174.700 -0.049 0.000 1.117 257 T CA -0.125 61.942 62.100 -0.055 0.000 1.034 257 T CB 0.042 68.863 68.868 -0.078 0.000 0.968 257 T HN 0.054 nan 8.240 nan 0.000 0.526 258 A N 1.493 124.309 122.820 -0.008 0.000 2.565 258 A HA 0.498 4.818 4.320 -0.001 0.000 0.237 258 A C -0.210 177.404 177.584 0.049 0.000 1.053 258 A CA -0.198 51.867 52.037 0.046 0.000 0.755 258 A CB -0.251 18.797 19.000 0.080 0.000 0.980 258 A HN 0.582 nan 8.150 nan 0.000 0.506 259 L N 3.081 124.356 121.223 0.088 0.000 2.438 259 L HA 0.577 4.917 4.340 -0.001 0.000 0.270 259 L C -0.646 176.283 176.870 0.099 0.000 0.972 259 L CA -0.599 54.284 54.840 0.071 0.000 0.831 259 L CB 1.473 43.544 42.059 0.021 0.000 1.273 259 L HN 0.660 nan 8.230 nan 0.000 0.405 260 F N 3.872 123.777 119.950 -0.074 0.000 2.578 260 F HA 0.410 4.937 4.527 -0.001 0.000 0.381 260 F C 0.019 175.681 175.800 -0.229 0.000 1.069 260 F CA 0.791 58.705 58.000 -0.144 0.000 1.231 260 F CB 0.452 39.383 39.000 -0.115 0.000 1.086 260 F HN 0.580 nan 8.300 nan 0.000 0.564 261 T N 5.384 119.303 114.554 -1.060 0.000 2.861 261 T HA 0.215 4.565 4.350 -0.001 0.000 0.287 261 T C -1.647 172.383 174.700 -1.117 0.000 1.003 261 T CA -0.486 61.079 62.100 -0.892 0.000 0.977 261 T CB 0.961 69.286 68.868 -0.905 0.000 0.996 261 T HN 0.621 nan 8.240 nan 0.000 0.448 262 H N 2.676 121.410 119.070 -0.561 0.000 2.551 262 H HA 0.630 5.186 4.556 -0.001 0.000 0.321 262 H C -0.470 174.665 175.328 -0.320 0.000 1.028 262 H CA -0.756 55.095 56.048 -0.328 0.000 1.215 262 H CB 0.794 30.588 29.762 0.054 0.000 1.414 262 H HN 0.490 nan 8.280 nan 0.000 0.480 263 M N 6.770 126.060 119.600 -0.517 0.000 2.157 263 M HA 0.302 4.782 4.480 -0.001 0.000 0.354 263 M C -0.906 175.155 176.300 -0.398 0.000 1.170 263 M CA -0.618 54.441 55.300 -0.403 0.000 1.060 263 M CB 0.694 33.102 32.600 -0.321 0.000 1.615 263 M HN 0.698 nan 8.290 nan 0.000 0.460 264 M N 7.020 126.470 119.600 -0.250 0.000 2.248 264 M HA 0.157 4.637 4.480 -0.001 0.000 0.337 264 M C -1.531 174.628 176.300 -0.236 0.000 1.121 264 M CA -1.014 54.176 55.300 -0.184 0.000 1.155 264 M CB 0.343 32.848 32.600 -0.157 0.000 1.514 264 M HN 0.487 nan 8.290 nan 0.000 0.452 265 P HA 0.093 nan 4.420 nan 0.000 0.245 265 P C -0.272 176.844 177.300 -0.308 0.000 1.199 265 P CA 0.897 63.684 63.100 -0.522 0.000 0.807 265 P CB 0.314 31.431 31.700 -0.971 0.000 1.002 266 F N -2.043 117.899 119.950 -0.014 0.000 2.452 266 F HA 0.276 4.803 4.527 -0.001 0.000 0.353 266 F C 2.237 178.130 175.800 0.156 0.000 1.089 266 F CA -1.309 56.730 58.000 0.065 0.000 1.080 266 F CB 0.103 39.081 39.000 -0.036 0.000 1.399 266 F HN -0.295 nan 8.300 nan 0.000 0.492 267 Y N 0.373 120.835 120.300 0.270 0.000 2.352 267 Y HA 0.034 4.584 4.550 -0.001 0.000 0.292 267 Y C 0.815 176.645 175.900 -0.117 0.000 1.136 267 Y CA 1.075 59.196 58.100 0.034 0.000 1.227 267 Y CB 0.027 38.427 38.460 -0.099 0.000 0.991 267 Y HN 0.335 nan 8.280 nan 0.000 0.545 268 S N -1.805 113.766 115.700 -0.216 0.000 2.638 268 S HA 0.269 4.739 4.470 -0.001 0.000 0.274 268 S C -0.522 174.028 174.600 -0.083 0.000 1.157 268 S CA -0.386 57.591 58.200 -0.371 0.000 0.826 268 S CB 0.331 63.254 63.200 -0.463 0.000 1.139 268 S HN 0.277 nan 8.310 nan 0.000 0.474 269 Y N 0.739 121.001 120.300 -0.062 0.000 2.468 269 Y HA 0.353 4.902 4.550 -0.001 0.000 0.268 269 Y C 0.379 176.362 175.900 0.138 0.000 1.177 269 Y CA -0.715 57.381 58.100 -0.007 0.000 1.265 269 Y CB -0.936 37.435 38.460 -0.148 0.000 1.103 269 Y HN 0.530 nan 8.280 nan 0.000 0.522 270 D N 0.716 121.153 120.400 0.061 0.000 2.371 270 D HA -0.035 4.604 4.640 -0.001 0.000 0.242 270 D C 1.266 177.712 176.300 0.243 0.000 1.218 270 D CA -0.381 53.734 54.000 0.190 0.000 0.945 270 D CB 0.871 41.739 40.800 0.114 0.000 1.137 270 D HN 0.263 nan 8.370 nan 0.000 0.464 271 I N -0.125 120.562 120.570 0.195 0.000 2.208 271 I HA -0.177 3.993 4.170 -0.001 0.000 0.245 271 I C -0.733 175.442 176.117 0.096 0.000 1.097 271 I CA 0.951 62.351 61.300 0.166 0.000 1.363 271 I CB -1.197 36.884 38.000 0.136 0.000 1.051 271 I HN 0.345 nan 8.210 nan 0.000 0.413 272 P HA -0.165 nan 4.420 nan 0.000 0.219 272 P C 0.628 177.652 177.300 -0.460 0.000 1.146 272 P CA 1.650 64.610 63.100 -0.233 0.000 0.808 272 P CB -0.106 31.482 31.700 -0.187 0.000 0.779 273 H N -3.014 116.062 119.070 0.009 0.000 2.486 273 H HA 0.220 4.775 4.556 -0.001 0.000 0.284 273 H C 0.865 176.303 175.328 0.183 0.000 1.103 273 H CA 0.576 56.643 56.048 0.032 0.000 1.089 273 H CB -0.238 29.604 29.762 0.133 0.000 1.603 273 H HN 0.105 nan 8.280 nan 0.000 0.557 274 T N -4.228 110.455 114.554 0.214 0.000 2.986 274 T HA -0.015 4.335 4.350 -0.001 0.000 0.264 274 T C 1.775 176.602 174.700 0.211 0.000 0.964 274 T CA 0.361 62.609 62.100 0.247 0.000 0.895 274 T CB -0.693 68.313 68.868 0.229 0.000 1.163 274 T HN 0.512 nan 8.240 nan 0.000 0.517 275 c N 1.373 120.071 118.600 0.164 0.000 2.563 275 c HA 0.729 5.299 4.570 -0.001 0.000 0.268 275 c C 1.325 175.536 174.090 0.202 0.000 1.365 275 c CA 0.385 56.848 56.329 0.223 0.000 1.754 275 c CB -1.044 41.552 42.510 0.143 0.000 1.932 275 c HN 0.854 nan 8.230 nan 0.000 0.536 276 G N -0.140 108.711 108.800 0.085 0.000 2.317 276 G HA2 0.386 4.345 3.960 -0.001 0.000 0.293 276 G HA3 0.386 4.345 3.960 -0.001 0.000 0.293 276 G C -2.651 171.915 174.900 -0.558 0.000 1.287 276 G CA 0.247 45.351 45.100 0.007 0.000 0.850 276 G HN -0.112 nan 8.290 nan 0.000 0.515 277 P HA 0.070 nan 4.420 nan 0.000 0.226 277 P C -0.118 176.773 177.300 -0.681 0.000 1.153 277 P CA 1.154 63.612 63.100 -1.070 0.000 0.777 277 P CB 0.341 31.720 31.700 -0.535 0.000 0.794 278 D N 0.663 120.771 120.400 -0.486 0.000 2.460 278 D HA 0.144 4.783 4.640 -0.001 0.000 0.232 278 D C -1.472 174.486 176.300 -0.571 0.000 1.079 278 D CA -2.641 51.107 54.000 -0.420 0.000 0.864 278 D CB 1.338 41.978 40.800 -0.266 0.000 1.048 278 D HN -0.008 nan 8.370 nan 0.000 0.523 279 P HA -0.154 nan 4.420 nan 0.000 0.220 279 P C 1.221 177.677 177.300 -1.406 0.000 1.148 279 P CA 0.708 63.033 63.100 -1.291 0.000 0.803 279 P CB 0.521 31.145 31.700 -1.795 0.000 0.782 280 K N 0.209 119.928 120.400 -1.136 0.000 2.148 280 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 280 K C 1.792 178.215 176.600 -0.296 0.000 1.050 280 K CA 0.989 56.927 56.287 -0.581 0.000 0.942 280 K CB -0.159 32.201 32.500 -0.234 0.000 0.724 280 K HN -0.051 nan 8.250 nan 0.000 0.446 281 V N 0.247 119.989 119.914 -0.287 0.000 2.379 281 V HA -0.213 3.907 4.120 -0.001 0.000 0.243 281 V C 2.343 178.419 176.094 -0.030 0.000 1.035 281 V CA 1.222 63.454 62.300 -0.114 0.000 1.035 281 V CB -0.182 31.589 31.823 -0.086 0.000 0.673 281 V HN 0.464 nan 8.190 nan 0.000 0.457 282 c N -0.716 117.789 118.600 -0.158 0.000 2.422 282 c HA -0.198 4.372 4.570 -0.001 0.000 0.279 282 c C 2.968 177.039 174.090 -0.032 0.000 1.305 282 c CA 0.787 57.089 56.329 -0.046 0.000 1.757 282 c CB -1.487 40.917 42.510 -0.177 0.000 1.962 282 c HN 0.754 nan 8.230 nan 0.000 0.499 283 c N 0.903 119.395 118.600 -0.180 0.000 2.410 283 c HA -0.156 4.414 4.570 -0.001 0.000 0.281 283 c C 2.612 176.606 174.090 -0.159 0.000 1.318 283 c CA 1.274 57.551 56.329 -0.086 0.000 1.776 283 c CB -1.473 41.078 42.510 0.068 0.000 1.942 283 c HN 0.642 nan 8.230 nan 0.000 0.508 284 Q N -1.423 118.230 119.800 -0.245 0.000 2.488 284 Q HA -0.007 4.332 4.340 -0.001 0.000 0.211 284 Q C 0.688 176.049 176.000 -1.065 0.000 0.967 284 Q CA 0.962 56.431 55.803 -0.557 0.000 0.926 284 Q CB -0.021 28.367 28.738 -0.583 0.000 0.992 284 Q HN 0.742 nan 8.270 nan 0.000 0.506 285 F N -0.105 119.556 119.950 -0.482 0.000 2.668 285 F HA 0.164 4.691 4.527 -0.000 0.000 0.301 285 F C 0.237 175.737 175.800 -0.499 0.000 1.106 285 F CA -0.509 57.090 58.000 -0.668 0.000 1.289 285 F CB 0.765 39.623 39.000 -0.238 0.000 1.006 285 F HN -0.144 nan 8.300 nan 0.000 0.535 286 D N 0.007 120.174 120.400 -0.388 0.000 2.485 286 D HA 0.141 4.780 4.640 -0.001 0.000 0.229 286 D C 0.498 176.611 176.300 -0.311 0.000 1.101 286 D CA -0.397 53.506 54.000 -0.162 0.000 0.906 286 D CB 0.120 40.881 40.800 -0.065 0.000 1.019 286 D HN 0.100 nan 8.370 nan 0.000 0.516 287 F N 1.765 121.720 119.950 0.009 0.000 2.771 287 F HA 0.069 4.596 4.527 -0.001 0.000 0.299 287 F C 2.330 178.095 175.800 -0.059 0.000 1.177 287 F CA 0.336 58.316 58.000 -0.032 0.000 1.450 287 F CB 0.121 39.118 39.000 -0.006 0.000 1.114 287 F HN 0.250 nan 8.300 nan 0.000 0.587 288 K N 0.768 121.123 120.400 -0.074 0.000 2.487 288 K HA 0.059 4.379 4.320 -0.001 0.000 0.192 288 K C 0.983 177.563 176.600 -0.032 0.000 1.027 288 K CA 0.248 56.369 56.287 -0.277 0.000 1.054 288 K CB 0.136 32.323 32.500 -0.523 0.000 0.824 288 K HN 0.177 nan 8.250 nan 0.000 0.510 289 R N 0.154 120.651 120.500 -0.006 0.000 2.702 289 R HA 0.214 4.554 4.340 -0.001 0.000 0.314 289 R C 0.775 177.103 176.300 0.047 0.000 1.152 289 R CA -0.181 55.935 56.100 0.028 0.000 1.097 289 R CB 0.240 30.533 30.300 -0.010 0.000 1.343 289 R HN 0.188 nan 8.270 nan 0.000 0.575 290 M N -0.964 118.698 119.600 0.104 0.000 2.502 290 M HA 0.161 4.641 4.480 -0.001 0.000 0.243 290 M C 1.153 177.488 176.300 0.059 0.000 1.130 290 M CA 0.794 56.137 55.300 0.071 0.000 1.055 290 M CB 0.884 33.539 32.600 0.092 0.000 1.457 290 M HN 0.544 nan 8.290 nan 0.000 0.488 291 G N -0.110 108.740 108.800 0.083 0.000 3.638 291 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.196 291 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.196 291 G C 0.982 175.885 174.900 0.006 0.000 1.315 291 G CA 0.253 45.376 45.100 0.038 0.000 0.944 291 G HN 0.395 nan 8.290 nan 0.000 0.434 292 S N 0.332 115.996 115.700 -0.061 0.000 2.469 292 S HA 0.168 4.637 4.470 -0.001 0.000 0.238 292 S C 1.775 176.187 174.600 -0.313 0.000 0.998 292 S CA 1.615 59.685 58.200 -0.216 0.000 0.957 292 S CB -0.457 62.537 63.200 -0.344 0.000 0.764 292 S HN 0.404 nan 8.310 nan 0.000 0.514 293 F N 1.762 121.706 119.950 -0.010 0.000 2.765 293 F HA 0.422 4.948 4.527 -0.001 0.000 0.302 293 F C 1.917 177.712 175.800 -0.009 0.000 1.111 293 F CA 0.061 58.054 58.000 -0.012 0.000 1.359 293 F CB -0.060 38.929 39.000 -0.019 0.000 1.097 293 F HN 0.374 nan 8.300 nan 0.000 0.577 294 G N 1.002 109.872 108.800 0.116 0.000 2.148 294 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.254 294 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.254 294 G C -0.042 174.906 174.900 0.080 0.000 0.981 294 G CA 0.113 45.258 45.100 0.074 0.000 0.670 294 G HN 0.306 nan 8.290 nan 0.000 0.528 295 L N 0.093 121.379 121.223 0.105 0.000 2.303 295 L HA 0.887 5.227 4.340 -0.001 0.000 0.266 295 L C 0.556 177.457 176.870 0.053 0.000 1.011 295 L CA -0.366 54.517 54.840 0.072 0.000 0.818 295 L CB 2.302 44.401 42.059 0.068 0.000 1.326 295 L HN 0.487 nan 8.230 nan 0.000 0.435 296 S N -1.126 114.593 115.700 0.031 0.000 2.672 296 S HA 0.470 4.940 4.470 -0.001 0.000 0.271 296 S C -1.360 173.252 174.600 0.020 0.000 1.171 296 S CA -0.845 57.366 58.200 0.018 0.000 0.817 296 S CB 1.398 64.599 63.200 0.002 0.000 1.150 296 S HN 0.511 nan 8.310 nan 0.000 0.478 297 c N 3.268 121.886 118.600 0.029 0.000 2.246 297 c HA 0.529 5.099 4.570 -0.001 0.000 0.329 297 c C -0.840 173.231 174.090 -0.031 0.000 1.221 297 c CA -1.155 55.230 56.329 0.093 0.000 1.697 297 c CB 0.689 43.294 42.510 0.159 0.000 2.312 297 c HN 0.755 nan 8.230 nan 0.000 0.509 298 P HA -0.103 nan 4.420 nan 0.000 0.225 298 P C 1.049 178.046 177.300 -0.505 0.000 1.148 298 P CA 1.226 64.043 63.100 -0.473 0.000 0.779 298 P CB 0.076 31.351 31.700 -0.709 0.000 0.780 299 W N 0.881 122.161 121.300 -0.033 0.000 3.204 299 W HA 0.146 4.806 4.660 -0.000 0.000 0.249 299 W C 0.715 177.209 176.519 -0.041 0.000 1.322 299 W CA 0.152 57.473 57.345 -0.040 0.000 1.593 299 W CB -0.615 28.812 29.460 -0.054 0.000 1.122 299 W HN 0.165 nan 8.180 nan 0.000 0.710 300 K N -1.037 119.400 120.400 0.062 0.000 3.407 300 K HA -0.194 4.126 4.320 -0.001 0.000 0.312 300 K C -0.320 176.303 176.600 0.037 0.000 1.302 300 K CA 0.576 56.880 56.287 0.029 0.000 0.931 300 K CB -1.978 30.528 32.500 0.010 0.000 1.257 300 K HN -0.090 nan 8.250 nan 0.000 0.454 301 V N 1.708 121.658 119.914 0.060 0.000 2.407 301 V HA 0.330 4.449 4.120 -0.001 0.000 0.291 301 V C -1.804 174.282 176.094 -0.013 0.000 1.018 301 V CA -1.487 60.820 62.300 0.012 0.000 0.842 301 V CB 1.619 33.444 31.823 0.004 0.000 0.996 301 V HN -0.018 nan 8.190 nan 0.000 0.426 302 P HA 0.463 nan 4.420 nan 0.000 0.278 302 P C -2.905 174.308 177.300 -0.145 0.000 1.258 302 P CA -2.151 60.909 63.100 -0.068 0.000 0.811 302 P CB 1.033 32.707 31.700 -0.043 0.000 1.063 303 P HA 0.309 nan 4.420 nan 0.000 0.272 303 P C -0.271 176.927 177.300 -0.171 0.000 1.230 303 P CA 0.036 62.927 63.100 -0.349 0.000 0.788 303 P CB 0.590 32.026 31.700 -0.439 0.000 0.949 304 R N 0.368 120.781 120.500 -0.145 0.000 2.621 304 R HA 0.399 4.738 4.340 -0.001 0.000 0.292 304 R C -0.393 175.958 176.300 0.085 0.000 0.969 304 R CA -0.627 55.456 56.100 -0.029 0.000 0.887 304 R CB 1.441 31.700 30.300 -0.067 0.000 1.180 304 R HN 0.378 nan 8.270 nan 0.000 0.450 305 T N 3.974 118.570 114.554 0.069 0.000 2.933 305 T HA 0.041 4.390 4.350 -0.001 0.000 0.306 305 T C 0.719 175.399 174.700 -0.034 0.000 1.045 305 T CA 0.182 62.296 62.100 0.023 0.000 1.143 305 T CB 0.170 69.034 68.868 -0.007 0.000 1.003 305 T HN 0.200 nan 8.240 nan 0.000 0.540 306 I N 3.794 124.288 120.570 -0.126 0.000 2.441 306 I HA 0.301 4.470 4.170 -0.001 0.000 0.287 306 I C 0.932 176.989 176.117 -0.100 0.000 1.049 306 I CA -0.026 61.201 61.300 -0.122 0.000 1.381 306 I CB 0.499 38.380 38.000 -0.198 0.000 1.409 306 I HN 0.769 nan 8.210 nan 0.000 0.523 307 S N 3.559 119.215 115.700 -0.074 0.000 2.697 307 S HA 0.425 4.894 4.470 -0.001 0.000 0.289 307 S C 0.271 174.838 174.600 -0.054 0.000 1.149 307 S CA -0.765 57.402 58.200 -0.055 0.000 0.850 307 S CB 2.135 65.311 63.200 -0.040 0.000 1.151 307 S HN 0.500 nan 8.310 nan 0.000 0.491 308 D N 0.581 120.961 120.400 -0.034 0.000 2.263 308 D HA -0.049 4.590 4.640 -0.001 0.000 0.208 308 D C 1.507 177.788 176.300 -0.032 0.000 0.971 308 D CA 1.376 55.362 54.000 -0.024 0.000 0.867 308 D CB -0.170 40.629 40.800 -0.001 0.000 0.929 308 D HN 0.509 nan 8.370 nan 0.000 0.492 309 Q N 0.090 119.871 119.800 -0.031 0.000 2.269 309 Q HA -0.015 4.324 4.340 -0.001 0.000 0.201 309 Q C 1.314 177.291 176.000 -0.040 0.000 0.946 309 Q CA 0.811 56.598 55.803 -0.027 0.000 0.877 309 Q CB -0.051 28.675 28.738 -0.019 0.000 0.963 309 Q HN 0.366 nan 8.270 nan 0.000 0.472 310 N N -1.531 117.136 118.700 -0.054 0.000 2.197 310 N HA -0.008 4.732 4.740 -0.001 0.000 0.201 310 N C 1.129 176.585 175.510 -0.090 0.000 1.148 310 N CA 0.124 53.140 53.050 -0.057 0.000 0.883 310 N CB -0.271 38.189 38.487 -0.045 0.000 1.012 310 N HN 0.032 nan 8.380 nan 0.000 0.507 311 V N 0.608 120.434 119.914 -0.145 0.000 2.392 311 V HA -0.172 3.948 4.120 -0.001 0.000 0.249 311 V C 2.254 178.098 176.094 -0.417 0.000 1.059 311 V CA 2.202 64.350 62.300 -0.254 0.000 1.051 311 V CB -0.898 30.753 31.823 -0.287 0.000 0.658 311 V HN 0.464 nan 8.190 nan 0.000 0.455 312 A N -0.423 122.148 122.820 -0.414 0.000 1.898 312 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 312 A C 2.398 180.009 177.584 0.045 0.000 1.181 312 A CA 1.989 53.908 52.037 -0.196 0.000 0.620 312 A CB -0.921 18.108 19.000 0.050 0.000 0.819 312 A HN 0.788 nan 8.150 nan 0.000 0.442 313 A N -0.552 122.274 122.820 0.011 0.000 1.930 313 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 313 A C 2.214 179.833 177.584 0.058 0.000 1.175 313 A CA 1.194 53.260 52.037 0.048 0.000 0.627 313 A CB -0.387 18.626 19.000 0.021 0.000 0.815 313 A HN 0.403 nan 8.150 nan 0.000 0.443 314 R N 0.029 120.551 120.500 0.036 0.000 2.092 314 R HA -0.036 4.304 4.340 -0.001 0.000 0.231 314 R C 2.351 178.695 176.300 0.073 0.000 1.119 314 R CA 1.493 57.671 56.100 0.131 0.000 0.970 314 R CB -0.876 29.494 30.300 0.117 0.000 0.864 314 R HN 0.517 nan 8.270 nan 0.000 0.440 315 S N 1.287 116.970 115.700 -0.029 0.000 2.368 315 S HA -0.109 4.361 4.470 -0.001 0.000 0.224 315 S C 1.325 175.814 174.600 -0.186 0.000 1.029 315 S CA 1.226 59.313 58.200 -0.187 0.000 0.988 315 S CB -0.177 63.034 63.200 0.019 0.000 0.838 315 S HN 0.256 nan 8.310 nan 0.000 0.462 316 D N 1.606 122.094 120.400 0.146 0.000 2.116 316 D HA -0.085 4.555 4.640 -0.001 0.000 0.193 316 D C 1.902 178.229 176.300 0.046 0.000 0.998 316 D CA 0.896 55.051 54.000 0.258 0.000 0.836 316 D CB -0.412 40.522 40.800 0.223 0.000 0.951 316 D HN 0.282 nan 8.370 nan 0.000 0.449 317 L N -0.069 121.147 121.223 -0.011 0.000 2.056 317 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 317 L C 2.387 179.090 176.870 -0.279 0.000 1.078 317 L CA 0.494 55.299 54.840 -0.058 0.000 0.749 317 L CB -0.184 41.911 42.059 0.059 0.000 0.901 317 L HN 0.088 nan 8.230 nan 0.000 0.433 318 L N -0.791 120.087 121.223 -0.576 0.000 2.044 318 L HA -0.124 4.216 4.340 -0.001 0.000 0.205 318 L C 2.332 178.540 176.870 -1.103 0.000 1.075 318 L CA 1.563 55.730 54.840 -1.123 0.000 0.747 318 L CB -0.391 40.694 42.059 -1.624 0.000 0.903 318 L HN -0.093 nan 8.230 nan 0.000 0.435 319 V N 0.073 119.450 119.914 -0.895 0.000 2.469 319 V HA -0.307 3.813 4.120 -0.001 0.000 0.251 319 V C 2.292 178.236 176.094 -0.250 0.000 1.064 319 V CA 1.933 63.863 62.300 -0.617 0.000 1.066 319 V CB -0.791 30.659 31.823 -0.621 0.000 0.667 319 V HN 0.604 nan 8.190 nan 0.000 0.461 320 D N -0.900 119.410 120.400 -0.150 0.000 2.144 320 D HA -0.187 4.452 4.640 -0.001 0.000 0.200 320 D C 2.220 178.506 176.300 -0.023 0.000 0.978 320 D CA 1.004 55.027 54.000 0.037 0.000 0.833 320 D CB 0.001 40.877 40.800 0.127 0.000 0.961 320 D HN 0.288 nan 8.370 nan 0.000 0.470 321 Q N -0.530 119.188 119.800 -0.136 0.000 2.079 321 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 321 Q C 2.040 178.062 176.000 0.037 0.000 0.974 321 Q CA 0.895 56.642 55.803 -0.093 0.000 0.840 321 Q CB -0.516 28.106 28.738 -0.193 0.000 0.898 321 Q HN 0.544 nan 8.270 nan 0.000 0.430 322 W N 1.489 122.686 121.300 -0.172 0.000 2.358 322 W HA -0.091 4.569 4.660 -0.001 0.000 0.303 322 W C 2.083 178.487 176.519 -0.192 0.000 1.208 322 W CA 0.729 57.970 57.345 -0.174 0.000 1.274 322 W CB -0.632 28.697 29.460 -0.218 0.000 1.138 322 W HN 0.197 nan 8.180 nan 0.000 0.515 323 K N 0.133 120.500 120.400 -0.055 0.000 2.148 323 K HA -0.133 4.187 4.320 -0.001 0.000 0.204 323 K C 1.952 178.393 176.600 -0.265 0.000 1.050 323 K CA 1.179 57.275 56.287 -0.318 0.000 0.942 323 K CB -0.169 31.823 32.500 -0.847 0.000 0.724 323 K HN 0.076 nan 8.250 nan 0.000 0.446 324 K N 0.844 121.175 120.400 -0.116 0.000 2.025 324 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 324 K C 2.100 178.764 176.600 0.108 0.000 1.049 324 K CA 1.119 57.465 56.287 0.098 0.000 0.933 324 K CB -0.001 32.579 32.500 0.133 0.000 0.714 324 K HN 0.012 nan 8.250 nan 0.000 0.438 325 K N 0.935 121.402 120.400 0.111 0.000 2.057 325 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 325 K C 2.064 178.772 176.600 0.179 0.000 1.049 325 K CA 1.212 57.586 56.287 0.145 0.000 0.931 325 K CB -0.096 32.502 32.500 0.164 0.000 0.714 325 K HN 0.127 nan 8.250 nan 0.000 0.440 326 A N 1.311 124.221 122.820 0.149 0.000 2.024 326 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 326 A C 1.681 179.429 177.584 0.274 0.000 1.164 326 A CA 1.430 53.593 52.037 0.209 0.000 0.643 326 A CB -0.337 18.741 19.000 0.131 0.000 0.806 326 A HN 0.327 nan 8.150 nan 0.000 0.451 327 E N -0.145 120.193 120.200 0.231 0.000 2.409 327 E HA -0.055 4.294 4.350 -0.001 0.000 0.198 327 E C 1.551 178.275 176.600 0.207 0.000 1.024 327 E CA 0.533 57.081 56.400 0.246 0.000 0.861 327 E CB -0.175 29.696 29.700 0.285 0.000 0.788 327 E HN 0.722 nan 8.360 nan 0.000 0.521 328 L N -0.593 120.706 121.223 0.127 0.000 2.558 328 L HA 0.054 4.394 4.340 -0.001 0.000 0.225 328 L C 0.335 176.985 176.870 -0.368 0.000 1.128 328 L CA 0.261 55.040 54.840 -0.101 0.000 0.868 328 L CB -0.036 41.838 42.059 -0.309 0.000 1.006 328 L HN 0.000 nan 8.230 nan 0.000 0.454 329 Y N -1.501 118.881 120.300 0.136 0.000 2.630 329 Y HA 0.378 4.928 4.550 -0.001 0.000 0.337 329 Y C 1.216 177.233 175.900 0.196 0.000 1.051 329 Y CA -0.955 57.248 58.100 0.171 0.000 1.121 329 Y CB 1.050 39.623 38.460 0.189 0.000 1.299 329 Y HN -0.281 nan 8.280 nan 0.000 0.498 330 R N -0.588 120.154 120.500 0.403 0.000 2.265 330 R HA 0.089 4.429 4.340 -0.001 0.000 0.194 330 R C 0.321 176.758 176.300 0.227 0.000 0.931 330 R CA 0.715 56.964 56.100 0.247 0.000 1.032 330 R CB 0.250 30.629 30.300 0.131 0.000 0.980 330 R HN 0.762 nan 8.270 nan 0.000 0.497 331 T N -0.815 113.918 114.554 0.297 0.000 2.922 331 T HA 0.107 4.456 4.350 -0.001 0.000 0.281 331 T C 0.648 175.496 174.700 0.247 0.000 1.005 331 T CA -0.921 61.319 62.100 0.233 0.000 0.982 331 T CB 1.213 70.200 68.868 0.197 0.000 1.158 331 T HN 0.076 nan 8.240 nan 0.000 0.566 332 N N -0.018 118.797 118.700 0.190 0.000 2.295 332 N HA 0.131 4.871 4.740 -0.001 0.000 0.221 332 N C -0.689 174.800 175.510 -0.035 0.000 1.129 332 N CA -0.365 52.757 53.050 0.119 0.000 0.836 332 N CB -0.096 38.376 38.487 -0.024 0.000 1.040 332 N HN 0.371 nan 8.380 nan 0.000 0.494 333 V N 1.458 121.391 119.914 0.032 0.000 2.357 333 V HA 0.381 4.501 4.120 -0.001 0.000 0.284 333 V C -0.522 175.656 176.094 0.139 0.000 1.018 333 V CA -0.959 61.363 62.300 0.037 0.000 0.841 333 V CB 1.408 33.242 31.823 0.019 0.000 0.991 333 V HN 0.178 nan 8.190 nan 0.000 0.437 334 L N 5.993 127.217 121.223 0.001 0.000 2.313 334 L HA 0.668 5.007 4.340 -0.001 0.000 0.283 334 L C -0.739 175.977 176.870 -0.256 0.000 1.013 334 L CA -0.419 54.344 54.840 -0.128 0.000 0.816 334 L CB 1.589 43.469 42.059 -0.298 0.000 1.236 334 L HN 0.636 nan 8.230 nan 0.000 0.419 335 L N 6.478 127.344 121.223 -0.595 0.000 2.276 335 L HA 0.558 4.898 4.340 -0.001 0.000 0.286 335 L C -1.032 175.543 176.870 -0.492 0.000 1.061 335 L CA 0.170 54.500 54.840 -0.850 0.000 0.807 335 L CB 0.759 41.830 42.059 -1.647 0.000 1.177 335 L HN 0.444 nan 8.230 nan 0.000 0.429 336 I N 7.269 127.641 120.570 -0.330 0.000 2.537 336 I HA 0.346 4.515 4.170 -0.001 0.000 0.276 336 I C -2.306 173.797 176.117 -0.024 0.000 1.063 336 I CA -2.059 59.142 61.300 -0.165 0.000 1.144 336 I CB 1.038 38.924 38.000 -0.188 0.000 1.252 336 I HN 0.434 nan 8.210 nan 0.000 0.480 337 P HA 0.172 nan 4.420 nan 0.000 0.268 337 P C -0.477 177.006 177.300 0.306 0.000 1.205 337 P CA -0.188 63.056 63.100 0.240 0.000 0.771 337 P CB 0.849 32.726 31.700 0.295 0.000 0.858 338 L N 3.111 124.547 121.223 0.355 0.000 2.442 338 L HA 0.769 5.108 4.340 -0.001 0.000 0.261 338 L C -0.126 176.786 176.870 0.070 0.000 1.000 338 L CA 0.389 55.354 54.840 0.209 0.000 0.882 338 L CB 0.576 42.693 42.059 0.097 0.000 1.207 338 L HN 0.610 nan 8.230 nan 0.000 0.443 339 G N 1.932 110.665 108.800 -0.113 0.000 2.342 339 G HA2 0.458 4.418 3.960 -0.001 0.000 0.297 339 G HA3 0.458 4.418 3.960 -0.001 0.000 0.297 339 G C -2.209 172.606 174.900 -0.142 0.000 1.313 339 G CA -0.224 44.587 45.100 -0.482 0.000 0.830 339 G HN 0.430 nan 8.290 nan 0.000 0.506 340 D N -1.744 118.638 120.400 -0.030 0.000 2.865 340 D HA 0.296 4.935 4.640 -0.001 0.000 0.343 340 D C -1.502 174.953 176.300 0.259 0.000 1.372 340 D CA -0.429 53.722 54.000 0.250 0.000 0.862 340 D CB 1.439 42.321 40.800 0.138 0.000 1.425 340 D HN 0.216 nan 8.370 nan 0.000 0.501 341 D N 0.419 121.009 120.400 0.317 0.000 2.417 341 D HA 0.224 4.863 4.640 -0.001 0.000 0.250 341 D C 0.205 176.672 176.300 0.279 0.000 1.166 341 D CA 0.452 54.626 54.000 0.290 0.000 0.881 341 D CB -0.258 40.813 40.800 0.451 0.000 1.164 341 D HN 0.356 nan 8.370 nan 0.000 0.467 342 F N 0.136 120.160 119.950 0.124 0.000 3.079 342 F HA -0.314 4.213 4.527 -0.001 0.000 0.274 342 F C 1.165 177.008 175.800 0.072 0.000 0.940 342 F CA 0.568 58.614 58.000 0.076 0.000 0.932 342 F CB -0.872 38.156 39.000 0.047 0.000 0.891 342 F HN 0.205 nan 8.300 nan 0.000 0.722 343 R N -0.394 120.195 120.500 0.149 0.000 2.652 343 R HA 0.440 4.779 4.340 -0.001 0.000 0.271 343 R C 0.791 177.099 176.300 0.013 0.000 1.129 343 R CA -0.626 55.433 56.100 -0.069 0.000 1.200 343 R CB -0.083 30.060 30.300 -0.261 0.000 1.146 343 R HN 0.257 nan 8.270 nan 0.000 0.581 344 F N -0.764 119.019 119.950 -0.279 0.000 3.071 344 F HA -0.288 4.238 4.527 -0.001 0.000 0.295 344 F C 1.420 177.185 175.800 -0.058 0.000 0.919 344 F CA 1.035 58.686 58.000 -0.583 0.000 1.050 344 F CB -0.947 37.456 39.000 -0.996 0.000 1.040 344 F HN 0.598 nan 8.300 nan 0.000 0.692 345 K N 0.018 120.472 120.400 0.090 0.000 2.078 345 K HA 0.008 4.328 4.320 -0.001 0.000 0.203 345 K C 0.692 177.437 176.600 0.242 0.000 1.043 345 K CA 0.989 57.405 56.287 0.214 0.000 0.960 345 K CB 0.192 32.786 32.500 0.157 0.000 0.761 345 K HN 0.354 nan 8.250 nan 0.000 0.448 346 Q N 0.945 120.850 119.800 0.174 0.000 2.259 346 Q HA 0.164 4.504 4.340 -0.001 0.000 0.246 346 Q C 0.455 176.624 176.000 0.283 0.000 0.920 346 Q CA -0.373 55.562 55.803 0.220 0.000 0.895 346 Q CB 1.343 30.237 28.738 0.260 0.000 1.220 346 Q HN 0.193 nan 8.270 nan 0.000 0.439 347 N N 0.579 119.436 118.700 0.262 0.000 2.149 347 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 347 N C 1.387 177.014 175.510 0.195 0.000 1.019 347 N CA 1.928 55.126 53.050 0.246 0.000 0.857 347 N CB -0.296 38.391 38.487 0.334 0.000 0.997 347 N HN 0.758 nan 8.380 nan 0.000 0.426 348 T N -0.931 113.761 114.554 0.230 0.000 2.881 348 T HA -0.118 4.231 4.350 -0.001 0.000 0.270 348 T C 1.736 176.609 174.700 0.289 0.000 1.068 348 T CA 1.097 63.352 62.100 0.258 0.000 1.131 348 T CB -0.104 68.921 68.868 0.262 0.000 0.871 348 T HN 0.339 nan 8.240 nan 0.000 0.479 349 E N -0.054 120.260 120.200 0.190 0.000 2.047 349 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 349 E C 1.858 178.356 176.600 -0.169 0.000 0.987 349 E CA 0.884 57.167 56.400 -0.194 0.000 0.799 349 E CB -0.288 29.129 29.700 -0.472 0.000 0.752 349 E HN 0.682 nan 8.360 nan 0.000 0.449 350 W N 1.789 122.980 121.300 -0.180 0.000 2.317 350 W HA -0.227 4.433 4.660 -0.001 0.000 0.318 350 W C 2.197 178.656 176.519 -0.100 0.000 1.227 350 W CA 1.461 58.686 57.345 -0.200 0.000 1.269 350 W CB -0.389 28.565 29.460 -0.844 0.000 1.155 350 W HN 0.213 nan 8.180 nan 0.000 0.484 351 D N -0.549 119.938 120.400 0.144 0.000 2.097 351 D HA -0.185 4.455 4.640 -0.001 0.000 0.195 351 D C 2.272 178.647 176.300 0.127 0.000 0.989 351 D CA 1.627 55.731 54.000 0.173 0.000 0.827 351 D CB -1.051 39.856 40.800 0.179 0.000 0.966 351 D HN 0.032 nan 8.370 nan 0.000 0.456 352 V N 0.948 120.929 119.914 0.112 0.000 2.407 352 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 352 V C 2.270 178.405 176.094 0.068 0.000 1.055 352 V CA 1.602 63.955 62.300 0.088 0.000 1.049 352 V CB -0.087 31.837 31.823 0.169 0.000 0.662 352 V HN 0.164 nan 8.190 nan 0.000 0.455 353 Q N -0.373 119.499 119.800 0.120 0.000 2.049 353 Q HA -0.182 4.158 4.340 -0.001 0.000 0.198 353 Q C 2.348 178.548 176.000 0.333 0.000 0.971 353 Q CA 1.867 57.835 55.803 0.275 0.000 0.833 353 Q CB -0.483 28.379 28.738 0.206 0.000 0.896 353 Q HN 0.622 nan 8.270 nan 0.000 0.434 354 R N 0.557 121.213 120.500 0.260 0.000 2.070 354 R HA -0.119 4.221 4.340 -0.001 0.000 0.233 354 R C 2.255 178.723 176.300 0.280 0.000 1.137 354 R CA 1.511 57.807 56.100 0.327 0.000 0.945 354 R CB -0.160 30.287 30.300 0.244 0.000 0.845 354 R HN 0.062 nan 8.270 nan 0.000 0.430 355 V N 2.100 122.092 119.914 0.132 0.000 2.295 355 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 355 V C 2.091 178.122 176.094 -0.105 0.000 1.049 355 V CA 2.031 64.353 62.300 0.037 0.000 1.024 355 V CB -0.682 31.147 31.823 0.009 0.000 0.648 355 V HN 0.453 nan 8.190 nan 0.000 0.447 356 N N -0.744 117.782 118.700 -0.290 0.000 2.120 356 N HA -0.180 4.560 4.740 -0.001 0.000 0.188 356 N C 1.858 177.046 175.510 -0.537 0.000 1.024 356 N CA 1.743 54.406 53.050 -0.646 0.000 0.852 356 N CB -0.353 37.153 38.487 -1.635 0.000 1.003 356 N HN 0.544 nan 8.380 nan 0.000 0.424 357 Y N 1.825 121.924 120.300 -0.335 0.000 2.293 357 Y HA -0.075 4.475 4.550 -0.001 0.000 0.291 357 Y C 2.352 177.738 175.900 -0.857 0.000 1.137 357 Y CA 1.001 58.782 58.100 -0.533 0.000 1.202 357 Y CB -0.027 38.231 38.460 -0.337 0.000 0.990 357 Y HN 0.143 nan 8.280 nan 0.000 0.537 358 E N -0.302 119.765 120.200 -0.223 0.000 2.110 358 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 358 E C 2.197 178.753 176.600 -0.073 0.000 0.988 358 E CA 0.874 57.230 56.400 -0.074 0.000 0.804 358 E CB -0.085 29.689 29.700 0.124 0.000 0.745 358 E HN 0.462 nan 8.360 nan 0.000 0.458 359 R N 0.328 120.756 120.500 -0.120 0.000 2.075 359 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 359 R C 2.454 178.718 176.300 -0.060 0.000 1.126 359 R CA 0.888 56.944 56.100 -0.073 0.000 0.963 359 R CB -0.286 29.947 30.300 -0.112 0.000 0.858 359 R HN 0.157 nan 8.270 nan 0.000 0.435 360 L N -0.354 120.759 121.223 -0.184 0.000 2.017 360 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 360 L C 2.248 179.157 176.870 0.065 0.000 1.073 360 L CA 1.559 56.326 54.840 -0.122 0.000 0.745 360 L CB -0.461 41.438 42.059 -0.267 0.000 0.894 360 L HN 0.156 nan 8.230 nan 0.000 0.432 361 F N -0.100 119.864 119.950 0.023 0.000 2.134 361 F HA -0.242 4.285 4.527 -0.001 0.000 0.299 361 F C 2.718 178.523 175.800 0.009 0.000 1.097 361 F CA 1.048 59.049 58.000 0.001 0.000 1.264 361 F CB -0.259 38.699 39.000 -0.071 0.000 1.001 361 F HN 0.177 nan 8.300 nan 0.000 0.479 362 E N 0.087 120.416 120.200 0.216 0.000 2.077 362 E HA -0.313 4.037 4.350 -0.001 0.000 0.193 362 E C 1.970 178.653 176.600 0.138 0.000 0.989 362 E CA 1.606 58.093 56.400 0.145 0.000 0.800 362 E CB -0.200 29.567 29.700 0.112 0.000 0.746 362 E HN 0.506 nan 8.360 nan 0.000 0.452 363 H N 0.339 119.454 119.070 0.075 0.000 2.276 363 H HA -0.059 4.496 4.556 -0.001 0.000 0.301 363 H C 2.069 177.473 175.328 0.126 0.000 1.073 363 H CA 2.289 58.391 56.048 0.091 0.000 1.311 363 H CB -0.237 29.572 29.762 0.080 0.000 1.379 363 H HN 0.154 nan 8.280 nan 0.000 0.494 364 I N 0.545 121.173 120.570 0.097 0.000 2.163 364 I HA -0.321 3.849 4.170 -0.001 0.000 0.243 364 I C 1.707 177.834 176.117 0.016 0.000 1.085 364 I CA 1.534 62.833 61.300 -0.002 0.000 1.347 364 I CB -0.379 37.568 38.000 -0.088 0.000 1.044 364 I HN 0.377 nan 8.210 nan 0.000 0.408 365 N N 0.433 119.145 118.700 0.021 0.000 2.453 365 N HA -0.114 4.626 4.740 -0.001 0.000 0.183 365 N C 1.737 177.233 175.510 -0.024 0.000 1.041 365 N CA 1.486 54.527 53.050 -0.015 0.000 0.900 365 N CB -0.292 38.178 38.487 -0.027 0.000 0.961 365 N HN 0.429 nan 8.380 nan 0.000 0.443 366 S N -1.103 114.578 115.700 -0.032 0.000 2.540 366 S HA 0.164 4.634 4.470 -0.001 0.000 0.218 366 S C 0.455 175.011 174.600 -0.073 0.000 0.977 366 S CA -0.301 57.875 58.200 -0.041 0.000 0.918 366 S CB 0.319 63.507 63.200 -0.020 0.000 0.806 366 S HN -0.061 nan 8.310 nan 0.000 0.496 367 Q N 1.502 121.236 119.800 -0.109 0.000 2.509 367 Q HA 0.540 4.879 4.340 -0.001 0.000 0.230 367 Q C 1.070 176.954 176.000 -0.192 0.000 1.089 367 Q CA 0.060 55.763 55.803 -0.166 0.000 0.901 367 Q CB 0.957 29.517 28.738 -0.297 0.000 1.208 367 Q HN 0.466 nan 8.270 nan 0.000 0.529 368 A N 2.303 125.071 122.820 -0.087 0.000 1.958 368 A HA -0.287 4.033 4.320 -0.001 0.000 0.221 368 A C 1.610 179.145 177.584 -0.081 0.000 1.178 368 A CA 2.322 54.323 52.037 -0.060 0.000 0.642 368 A CB -0.794 18.193 19.000 -0.021 0.000 0.816 368 A HN 0.888 nan 8.150 nan 0.000 0.453 369 H N -3.451 115.551 119.070 -0.112 0.000 2.518 369 H HA -0.012 4.544 4.556 -0.001 0.000 0.292 369 H C 1.403 176.671 175.328 -0.101 0.000 1.068 369 H CA 1.540 57.501 56.048 -0.145 0.000 1.275 369 H CB -0.651 28.962 29.762 -0.248 0.000 1.375 369 H HN 0.529 nan 8.280 nan 0.000 0.563 370 F N 0.627 120.305 119.950 -0.452 0.000 2.569 370 F HA 0.072 4.598 4.527 -0.001 0.000 0.295 370 F C 0.636 176.387 175.800 -0.081 0.000 1.115 370 F CA -0.060 57.803 58.000 -0.228 0.000 1.450 370 F CB 0.158 38.992 39.000 -0.276 0.000 1.107 370 F HN 0.099 nan 8.300 nan 0.000 0.563 371 N N 1.160 119.913 118.700 0.087 0.000 2.725 371 N HA -0.165 4.574 4.740 -0.001 0.000 0.251 371 N C -1.133 174.373 175.510 -0.007 0.000 1.031 371 N CA 0.396 53.478 53.050 0.054 0.000 0.720 371 N CB -1.420 37.138 38.487 0.118 0.000 0.930 371 N HN 0.025 nan 8.380 nan 0.000 0.543 372 V N 0.618 120.517 119.914 -0.026 0.000 2.789 372 V HA 0.417 4.537 4.120 -0.001 0.000 0.311 372 V C 0.077 176.088 176.094 -0.138 0.000 1.073 372 V CA -0.672 61.559 62.300 -0.115 0.000 0.921 372 V CB 2.495 34.282 31.823 -0.059 0.000 1.009 372 V HN 0.189 nan 8.190 nan 0.000 0.426 373 Q N 3.065 122.724 119.800 -0.236 0.000 2.394 373 Q HA 0.745 5.085 4.340 -0.001 0.000 0.261 373 Q C -0.820 174.916 176.000 -0.439 0.000 1.023 373 Q CA -0.124 55.516 55.803 -0.270 0.000 0.720 373 Q CB 1.520 30.107 28.738 -0.253 0.000 1.241 373 Q HN 1.004 nan 8.270 nan 0.000 0.483 374 A N 4.110 126.656 122.820 -0.456 0.000 2.340 374 A HA 0.926 5.246 4.320 -0.001 0.000 0.331 374 A C -1.040 175.853 177.584 -1.152 0.000 1.140 374 A CA -0.433 51.158 52.037 -0.744 0.000 0.801 374 A CB 1.103 19.843 19.000 -0.435 0.000 1.234 374 A HN 0.775 nan 8.150 nan 0.000 0.469 375 Q N 1.076 120.100 119.800 -1.293 0.000 2.633 375 Q HA 0.399 4.739 4.340 -0.001 0.000 0.289 375 Q C -1.625 173.973 176.000 -0.670 0.000 0.940 375 Q CA -0.625 54.482 55.803 -1.161 0.000 0.785 375 Q CB 0.651 29.070 28.738 -0.532 0.000 1.467 375 Q HN 0.485 nan 8.270 nan 0.000 0.401 376 F N 0.217 120.084 119.950 -0.139 0.000 2.459 376 F HA 0.640 5.166 4.527 -0.001 0.000 0.346 376 F C 1.215 177.061 175.800 0.077 0.000 1.128 376 F CA 0.986 59.022 58.000 0.059 0.000 1.268 376 F CB 1.348 40.433 39.000 0.143 0.000 1.161 376 F HN 0.749 nan 8.300 nan 0.000 0.583 377 G N 0.500 109.479 108.800 0.298 0.000 2.682 377 G HA2 0.565 4.524 3.960 -0.001 0.000 0.290 377 G HA3 0.565 4.524 3.960 -0.001 0.000 0.290 377 G C -1.164 173.726 174.900 -0.017 0.000 1.425 377 G CA -0.764 44.438 45.100 0.169 0.000 0.807 377 G HN 0.654 nan 8.290 nan 0.000 0.482 378 T N -1.788 112.680 114.554 -0.143 0.000 2.923 378 T HA 0.467 4.817 4.350 -0.001 0.000 0.281 378 T C 1.306 175.854 174.700 -0.254 0.000 0.995 378 T CA -0.430 61.556 62.100 -0.191 0.000 0.985 378 T CB 1.470 70.238 68.868 -0.166 0.000 1.114 378 T HN 0.596 nan 8.240 nan 0.000 0.548 379 L N 0.388 121.460 121.223 -0.252 0.000 2.056 379 L HA 0.064 4.404 4.340 -0.001 0.000 0.207 379 L C 2.724 179.540 176.870 -0.091 0.000 1.078 379 L CA 1.865 56.581 54.840 -0.207 0.000 0.749 379 L CB -1.148 40.821 42.059 -0.151 0.000 0.901 379 L HN 0.856 nan 8.230 nan 0.000 0.433 380 Q N 0.093 119.866 119.800 -0.044 0.000 2.124 380 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 380 Q C 2.078 178.004 176.000 -0.123 0.000 0.977 380 Q CA 1.989 57.800 55.803 0.014 0.000 0.850 380 Q CB -0.182 28.539 28.738 -0.029 0.000 0.901 380 Q HN 0.639 nan 8.270 nan 0.000 0.429 381 E N -1.226 118.813 120.200 -0.268 0.000 2.077 381 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 381 E C 1.716 177.875 176.600 -0.735 0.000 0.989 381 E CA 1.228 57.341 56.400 -0.479 0.000 0.800 381 E CB -0.327 29.006 29.700 -0.612 0.000 0.746 381 E HN 0.470 nan 8.360 nan 0.000 0.452 382 Y N 0.540 120.322 120.300 -0.863 0.000 2.097 382 Y HA -0.257 4.292 4.550 -0.001 0.000 0.282 382 Y C 1.846 177.448 175.900 -0.497 0.000 1.152 382 Y CA 1.657 59.281 58.100 -0.793 0.000 1.136 382 Y CB -0.640 37.377 38.460 -0.738 0.000 0.975 382 Y HN -0.025 nan 8.280 nan 0.000 0.498 383 F N 0.536 120.195 119.950 -0.485 0.000 2.134 383 F HA -0.233 4.293 4.527 -0.001 0.000 0.299 383 F C 2.232 177.805 175.800 -0.379 0.000 1.097 383 F CA 1.258 58.969 58.000 -0.482 0.000 1.264 383 F CB -0.306 38.613 39.000 -0.134 0.000 1.001 383 F HN 0.081 nan 8.300 nan 0.000 0.479 384 D N 0.348 120.695 120.400 -0.088 0.000 2.123 384 D HA -0.185 4.455 4.640 -0.001 0.000 0.196 384 D C 2.280 178.505 176.300 -0.125 0.000 0.992 384 D CA 1.460 55.418 54.000 -0.071 0.000 0.833 384 D CB -0.586 40.158 40.800 -0.093 0.000 0.954 384 D HN 0.252 nan 8.370 nan 0.000 0.455 385 A N 0.480 123.169 122.820 -0.218 0.000 1.898 385 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 385 A C 2.544 180.014 177.584 -0.190 0.000 1.181 385 A CA 1.079 53.032 52.037 -0.140 0.000 0.620 385 A CB -0.739 18.245 19.000 -0.026 0.000 0.819 385 A HN 0.136 nan 8.150 nan 0.000 0.442 386 V N -0.025 119.645 119.914 -0.407 0.000 2.287 386 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 386 V C 2.451 178.358 176.094 -0.311 0.000 1.053 386 V CA 2.213 64.261 62.300 -0.419 0.000 1.027 386 V CB -1.028 30.358 31.823 -0.730 0.000 0.646 386 V HN 0.658 nan 8.190 nan 0.000 0.447 387 H N -0.234 118.713 119.070 -0.205 0.000 2.457 387 H HA -0.102 4.454 4.556 -0.001 0.000 0.294 387 H C 2.415 177.706 175.328 -0.062 0.000 1.064 387 H CA 1.443 57.404 56.048 -0.146 0.000 1.330 387 H CB -0.089 29.547 29.762 -0.210 0.000 1.395 387 H HN 0.572 nan 8.280 nan 0.000 0.541 388 Q N 0.147 119.964 119.800 0.028 0.000 2.119 388 Q HA -0.037 4.303 4.340 -0.001 0.000 0.201 388 Q C 2.533 178.551 176.000 0.030 0.000 0.972 388 Q CA 1.114 56.930 55.803 0.022 0.000 0.847 388 Q CB 0.045 28.785 28.738 0.003 0.000 0.903 388 Q HN 0.395 nan 8.270 nan 0.000 0.433 389 A N 1.188 124.022 122.820 0.024 0.000 1.898 389 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 389 A C 1.951 179.565 177.584 0.051 0.000 1.181 389 A CA 1.557 53.621 52.037 0.045 0.000 0.620 389 A CB -0.498 18.534 19.000 0.054 0.000 0.819 389 A HN 0.447 nan 8.150 nan 0.000 0.442 390 E N -0.100 120.146 120.200 0.076 0.000 2.051 390 E HA -0.219 4.130 4.350 -0.001 0.000 0.192 390 E C 2.160 178.800 176.600 0.066 0.000 0.991 390 E CA 1.163 57.618 56.400 0.091 0.000 0.799 390 E CB -0.163 29.700 29.700 0.271 0.000 0.748 390 E HN 0.570 nan 8.360 nan 0.000 0.449 391 R N -0.236 120.305 120.500 0.070 0.000 2.189 391 R HA -0.026 4.314 4.340 -0.001 0.000 0.223 391 R C 1.981 178.299 176.300 0.030 0.000 1.092 391 R CA 0.774 56.901 56.100 0.045 0.000 0.989 391 R CB -0.086 30.235 30.300 0.035 0.000 0.876 391 R HN 0.145 nan 8.270 nan 0.000 0.457 392 A N 0.252 123.091 122.820 0.032 0.000 2.238 392 A HA 0.220 4.540 4.320 -0.001 0.000 0.208 392 A C 1.340 178.936 177.584 0.020 0.000 1.177 392 A CA 0.674 52.727 52.037 0.027 0.000 0.804 392 A CB -0.082 18.940 19.000 0.037 0.000 0.823 392 A HN 0.420 nan 8.150 nan 0.000 0.482 393 G N -1.022 107.787 108.800 0.014 0.000 2.143 393 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.248 393 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.248 393 G C 0.777 175.671 174.900 -0.010 0.000 0.991 393 G CA 0.620 45.720 45.100 -0.001 0.000 0.689 393 G HN 0.525 nan 8.290 nan 0.000 0.522 394 Q N -0.613 119.188 119.800 0.002 0.000 2.297 394 Q HA 0.453 4.793 4.340 -0.001 0.000 0.204 394 Q C 1.175 177.152 176.000 -0.039 0.000 0.962 394 Q CA 1.407 57.216 55.803 0.010 0.000 0.879 394 Q CB 0.018 28.795 28.738 0.065 0.000 0.947 394 Q HN 1.295 nan 8.270 nan 0.000 0.462 395 A N 0.226 122.975 122.820 -0.118 0.000 2.608 395 A HA 0.519 4.839 4.320 -0.001 0.000 0.292 395 A C -1.638 175.712 177.584 -0.390 0.000 1.066 395 A CA -0.815 51.057 52.037 -0.275 0.000 0.676 395 A CB 1.307 20.061 19.000 -0.410 0.000 1.277 395 A HN 0.166 nan 8.150 nan 0.000 0.413 396 E N 0.184 120.132 120.200 -0.419 0.000 2.266 396 E HA 0.647 4.996 4.350 -0.001 0.000 0.268 396 E C -1.697 174.690 176.600 -0.355 0.000 0.879 396 E CA -0.377 55.860 56.400 -0.272 0.000 0.762 396 E CB 2.211 31.860 29.700 -0.084 0.000 1.199 396 E HN 0.436 nan 8.360 nan 0.000 0.422 397 F N 2.075 122.131 119.950 0.175 0.000 2.492 397 F HA 0.410 4.937 4.527 0.000 0.000 0.327 397 F C -1.793 174.112 175.800 0.174 0.000 1.079 397 F CA -2.153 55.975 58.000 0.214 0.000 0.967 397 F CB 1.100 40.306 39.000 0.342 0.000 1.169 397 F HN 0.265 nan 8.300 nan 0.000 0.472 398 P HA 0.149 nan 4.420 nan 0.000 0.274 398 P C -0.683 176.762 177.300 0.242 0.000 1.237 398 P CA -0.341 62.893 63.100 0.224 0.000 0.793 398 P CB 0.995 32.797 31.700 0.171 0.000 0.977 399 T N -0.463 114.185 114.554 0.157 0.000 2.907 399 T HA 0.692 5.042 4.350 -0.001 0.000 0.284 399 T C -0.288 174.452 174.700 0.067 0.000 1.004 399 T CA -0.812 61.375 62.100 0.146 0.000 1.063 399 T CB 1.157 70.087 68.868 0.103 0.000 0.992 399 T HN 0.467 nan 8.240 nan 0.000 0.483 400 L N 1.603 122.866 121.223 0.066 0.000 2.466 400 L HA 0.733 5.073 4.340 -0.001 0.000 0.258 400 L C -0.838 176.038 176.870 0.011 0.000 0.973 400 L CA -0.433 54.343 54.840 -0.107 0.000 0.826 400 L CB 2.223 43.978 42.059 -0.506 0.000 1.372 400 L HN 1.117 nan 8.230 nan 0.000 0.409 401 S N 2.367 118.028 115.700 -0.064 0.000 2.569 401 S HA 1.051 5.521 4.470 -0.001 0.000 0.280 401 S C -0.418 174.130 174.600 -0.086 0.000 1.111 401 S CA 0.031 58.251 58.200 0.034 0.000 0.887 401 S CB 2.072 65.243 63.200 -0.047 0.000 1.095 401 S HN 1.694 nan 8.310 nan 0.000 0.476 402 G N 1.301 110.101 108.800 0.000 0.000 2.316 402 G HA2 0.337 4.297 3.960 -0.001 0.000 0.349 402 G HA3 0.337 4.297 3.960 -0.001 0.000 0.349 402 G C -1.843 172.980 174.900 -0.129 0.000 1.274 402 G CA 0.013 45.011 45.100 -0.170 0.000 1.018 402 G HN 1.305 nan 8.290 nan 0.000 0.486 403 D N -1.696 118.481 120.400 -0.373 0.000 2.687 403 D HA 0.739 5.379 4.640 -0.001 0.000 0.264 403 D C -0.665 175.118 176.300 -0.861 0.000 1.091 403 D CA -1.080 52.719 54.000 -0.335 0.000 1.123 403 D CB 1.051 41.824 40.800 -0.045 0.000 1.407 403 D HN 0.424 nan 8.370 nan 0.000 0.591 404 F N -0.425 119.405 119.950 -0.200 0.000 2.679 404 F HA 0.418 4.944 4.527 -0.001 0.000 0.354 404 F C -0.802 174.808 175.800 -0.317 0.000 1.423 404 F CA -0.652 57.218 58.000 -0.216 0.000 1.141 404 F CB 0.290 39.200 39.000 -0.151 0.000 1.168 404 F HN -0.006 nan 8.300 nan 0.000 0.530 405 F N -0.586 119.547 119.950 0.305 0.000 2.546 405 F HA 0.514 5.041 4.527 -0.000 0.000 0.320 405 F C 0.455 176.525 175.800 0.450 0.000 1.076 405 F CA -1.092 57.157 58.000 0.416 0.000 0.928 405 F CB 2.057 41.287 39.000 0.384 0.000 1.189 405 F HN -0.263 nan 8.300 nan 0.000 0.465 406 T N 2.010 116.966 114.554 0.671 0.000 2.795 406 T HA 0.164 4.513 4.350 -0.001 0.000 0.282 406 T C -0.984 174.193 174.700 0.796 0.000 0.980 406 T CA -0.307 62.251 62.100 0.763 0.000 1.012 406 T CB 0.379 69.564 68.868 0.530 0.000 0.936 406 T HN 0.378 nan 8.240 nan 0.000 0.457 407 Y N 2.950 123.581 120.300 0.552 0.000 2.497 407 Y HA 0.430 4.979 4.550 -0.001 0.000 0.334 407 Y C -0.205 175.728 175.900 0.055 0.000 1.199 407 Y CA -0.959 57.292 58.100 0.252 0.000 1.425 407 Y CB 0.203 38.703 38.460 0.066 0.000 1.291 407 Y HN 0.674 nan 8.280 nan 0.000 0.562 408 A N 5.311 127.642 122.820 -0.814 0.000 2.408 408 A HA 0.328 4.647 4.320 -0.001 0.000 0.295 408 A C -0.172 176.777 177.584 -1.058 0.000 1.040 408 A CA -0.254 51.174 52.037 -1.015 0.000 0.707 408 A CB 0.670 18.793 19.000 -1.462 0.000 1.235 408 A HN 0.815 nan 8.150 nan 0.000 0.418 409 D N 1.800 121.712 120.400 -0.813 0.000 2.346 409 D HA 0.049 4.689 4.640 -0.001 0.000 0.206 409 D C 0.528 176.861 176.300 0.055 0.000 1.001 409 D CA 0.556 54.348 54.000 -0.345 0.000 0.871 409 D CB 0.203 40.917 40.800 -0.144 0.000 0.943 409 D HN 0.751 nan 8.370 nan 0.000 0.518 410 R N -1.101 119.371 120.500 -0.047 0.000 2.687 410 R HA 0.316 4.656 4.340 -0.001 0.000 0.265 410 R C 0.195 176.404 176.300 -0.152 0.000 1.048 410 R CA -0.036 55.892 56.100 -0.287 0.000 0.884 410 R CB 0.625 30.817 30.300 -0.180 0.000 1.258 410 R HN -0.018 nan 8.270 nan 0.000 0.469 411 S N 1.189 116.745 115.700 -0.240 0.000 4.106 411 S HA -0.380 4.089 4.470 -0.001 0.000 0.541 411 S C 0.667 175.368 174.600 0.168 0.000 1.846 411 S CA 1.695 59.902 58.200 0.012 0.000 4.137 411 S CB -1.630 61.561 63.200 -0.015 0.000 0.892 411 S HN 1.071 nan 8.310 nan 0.000 0.535 412 D N 1.728 122.211 120.400 0.139 0.000 2.427 412 D HA 0.181 4.820 4.640 -0.001 0.000 0.224 412 D C -0.157 176.267 176.300 0.206 0.000 1.157 412 D CA -0.280 53.872 54.000 0.253 0.000 0.828 412 D CB -1.576 39.345 40.800 0.202 0.000 0.974 412 D HN 0.644 nan 8.370 nan 0.000 0.498 413 N N 0.933 119.657 118.700 0.041 0.000 2.739 413 N HA 0.048 4.787 4.740 -0.001 0.000 0.266 413 N C -0.940 174.597 175.510 0.045 0.000 1.168 413 N CA -0.297 52.773 53.050 0.034 0.000 1.055 413 N CB 0.141 38.628 38.487 0.001 0.000 1.393 413 N HN 0.140 nan 8.380 nan 0.000 0.514 414 Y N 0.263 120.654 120.300 0.151 0.000 2.313 414 Y HA 0.118 4.668 4.550 -0.001 0.000 0.332 414 Y C 0.085 176.197 175.900 0.353 0.000 1.071 414 Y CA -0.660 57.592 58.100 0.253 0.000 1.169 414 Y CB 0.598 39.156 38.460 0.164 0.000 1.192 414 Y HN 0.399 nan 8.280 nan 0.000 0.487 415 W N 2.508 123.939 121.300 0.218 0.000 1.694 415 W HA 0.218 4.877 4.660 -0.000 0.000 0.425 415 W C 0.885 177.454 176.519 0.084 0.000 0.615 415 W CA -0.595 56.913 57.345 0.272 0.000 2.237 415 W CB -0.571 29.161 29.460 0.453 0.000 1.478 415 W HN 0.547 nan 8.180 nan 0.000 0.427 416 S N -2.010 113.722 115.700 0.054 0.000 2.535 416 S HA 0.109 4.579 4.470 -0.001 0.000 0.214 416 S C 2.005 176.309 174.600 -0.493 0.000 0.980 416 S CA 0.380 58.216 58.200 -0.606 0.000 0.907 416 S CB 0.073 63.277 63.200 0.007 0.000 0.790 416 S HN 0.348 nan 8.310 nan 0.000 0.510 417 G N 2.087 110.825 108.800 -0.103 0.000 2.418 417 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 417 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 417 G C 1.272 176.168 174.900 -0.007 0.000 1.158 417 G CA 0.940 45.993 45.100 -0.077 0.000 0.771 417 G HN 0.804 nan 8.290 nan 0.000 0.545 418 Y N -0.734 119.553 120.300 -0.021 0.000 2.639 418 Y HA 0.120 4.670 4.550 -0.001 0.000 0.297 418 Y C 1.980 178.019 175.900 0.233 0.000 1.151 418 Y CA 0.191 58.359 58.100 0.115 0.000 1.335 418 Y CB -0.546 38.080 38.460 0.276 0.000 0.994 418 Y HN 0.353 nan 8.280 nan 0.000 0.548 419 Y N 0.196 120.319 120.300 -0.296 0.000 2.574 419 Y HA -0.087 4.462 4.550 -0.001 0.000 0.294 419 Y C 1.503 177.364 175.900 -0.065 0.000 1.142 419 Y CA 0.582 58.511 58.100 -0.286 0.000 1.314 419 Y CB 0.180 38.505 38.460 -0.224 0.000 0.991 419 Y HN 0.255 nan 8.280 nan 0.000 0.555 420 T N -2.218 112.419 114.554 0.139 0.000 2.964 420 T HA 0.039 4.389 4.350 -0.001 0.000 0.250 420 T C 0.640 175.437 174.700 0.161 0.000 0.982 420 T CA -0.156 62.022 62.100 0.130 0.000 0.959 420 T CB 0.104 69.016 68.868 0.074 0.000 1.141 420 T HN -0.080 nan 8.240 nan 0.000 0.494 421 S N 2.548 118.342 115.700 0.157 0.000 2.593 421 S HA 0.142 4.611 4.470 -0.001 0.000 0.300 421 S C 0.455 175.198 174.600 0.240 0.000 1.267 421 S CA 0.049 58.353 58.200 0.172 0.000 1.065 421 S CB 0.038 63.325 63.200 0.146 0.000 0.807 421 S HN 0.412 nan 8.310 nan 0.000 0.499 422 R N 1.028 121.684 120.500 0.260 0.000 3.205 422 R HA -0.126 4.213 4.340 -0.001 0.000 0.249 422 R C -1.829 174.718 176.300 0.411 0.000 0.937 422 R CA 0.748 57.076 56.100 0.379 0.000 0.641 422 R CB -1.721 28.843 30.300 0.440 0.000 1.114 422 R HN 0.531 nan 8.270 nan 0.000 0.451 423 P HA -0.246 nan 4.420 nan 0.000 0.222 423 P C 1.100 178.602 177.300 0.337 0.000 1.147 423 P CA 1.105 64.418 63.100 0.356 0.000 0.790 423 P CB -0.024 31.928 31.700 0.420 0.000 0.780 424 Y N 1.401 121.772 120.300 0.118 0.000 2.165 424 Y HA -0.245 4.305 4.550 -0.001 0.000 0.286 424 Y C 2.259 178.132 175.900 -0.046 0.000 1.155 424 Y CA 2.038 60.127 58.100 -0.018 0.000 1.164 424 Y CB -0.914 37.399 38.460 -0.245 0.000 0.978 424 Y HN 0.065 nan 8.280 nan 0.000 0.513 425 H N -0.857 118.466 119.070 0.421 0.000 2.470 425 H HA 0.035 4.590 4.556 -0.001 0.000 0.289 425 H C 2.005 177.492 175.328 0.265 0.000 1.033 425 H CA 1.206 57.419 56.048 0.275 0.000 1.331 425 H CB -0.045 29.926 29.762 0.349 0.000 1.414 425 H HN 0.245 nan 8.280 nan 0.000 0.545 426 K N 0.359 120.977 120.400 0.364 0.000 2.057 426 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 426 K C 2.217 178.881 176.600 0.107 0.000 1.049 426 K CA 1.098 57.542 56.287 0.262 0.000 0.931 426 K CB 0.098 32.727 32.500 0.215 0.000 0.714 426 K HN 0.019 nan 8.250 nan 0.000 0.440 427 R N 1.485 122.020 120.500 0.059 0.000 2.073 427 R HA 0.013 4.353 4.340 -0.001 0.000 0.229 427 R C 2.004 178.084 176.300 -0.366 0.000 1.120 427 R CA 1.402 57.474 56.100 -0.047 0.000 0.967 427 R CB -0.463 29.901 30.300 0.107 0.000 0.862 427 R HN 0.170 nan 8.270 nan 0.000 0.436 428 M N 0.240 119.502 119.600 -0.563 0.000 2.159 428 M HA -0.189 4.290 4.480 -0.001 0.000 0.263 428 M C 1.418 177.379 176.300 -0.566 0.000 1.063 428 M CA 2.400 57.092 55.300 -1.013 0.000 1.110 428 M CB -0.321 31.853 32.600 -0.710 0.000 1.374 428 M HN 0.254 nan 8.290 nan 0.000 0.411 429 D N -0.184 120.094 120.400 -0.204 0.000 2.116 429 D HA -0.219 4.421 4.640 -0.001 0.000 0.193 429 D C 1.890 178.119 176.300 -0.119 0.000 0.998 429 D CA 1.484 55.467 54.000 -0.029 0.000 0.836 429 D CB 0.116 41.041 40.800 0.208 0.000 0.951 429 D HN 0.220 nan 8.370 nan 0.000 0.449 430 R N 0.036 120.452 120.500 -0.140 0.000 2.115 430 R HA -0.003 4.336 4.340 -0.001 0.000 0.226 430 R C 2.434 178.637 176.300 -0.161 0.000 1.100 430 R CA 0.400 56.426 56.100 -0.123 0.000 0.980 430 R CB -0.975 29.273 30.300 -0.086 0.000 0.875 430 R HN 0.258 nan 8.270 nan 0.000 0.445 431 V N 1.510 121.232 119.914 -0.321 0.000 2.295 431 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 431 V C 2.361 178.301 176.094 -0.255 0.000 1.049 431 V CA 1.498 63.595 62.300 -0.337 0.000 1.024 431 V CB -0.550 30.772 31.823 -0.835 0.000 0.648 431 V HN 0.132 nan 8.190 nan 0.000 0.447 432 L N -0.351 120.638 121.223 -0.390 0.000 2.093 432 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 432 L C 2.331 179.130 176.870 -0.118 0.000 1.085 432 L CA 2.094 56.764 54.840 -0.283 0.000 0.755 432 L CB -0.693 41.195 42.059 -0.286 0.000 0.904 432 L HN 0.341 nan 8.230 nan 0.000 0.435 433 M N -1.347 118.186 119.600 -0.112 0.000 2.089 433 M HA -0.340 4.140 4.480 -0.001 0.000 0.257 433 M C 2.358 178.615 176.300 -0.072 0.000 1.071 433 M CA 2.441 57.677 55.300 -0.106 0.000 1.096 433 M CB -0.422 32.089 32.600 -0.149 0.000 1.330 433 M HN 0.556 nan 8.290 nan 0.000 0.403 434 H N -0.696 118.339 119.070 -0.058 0.000 2.363 434 H HA -0.142 4.414 4.556 -0.001 0.000 0.301 434 H C 1.432 176.804 175.328 0.074 0.000 1.074 434 H CA 2.300 58.343 56.048 -0.008 0.000 1.354 434 H CB -0.391 29.375 29.762 0.006 0.000 1.397 434 H HN 0.481 nan 8.280 nan 0.000 0.516 435 Y N -0.504 119.612 120.300 -0.306 0.000 2.242 435 Y HA -0.134 4.415 4.550 -0.001 0.000 0.291 435 Y C 2.730 178.494 175.900 -0.225 0.000 1.137 435 Y CA 1.164 59.100 58.100 -0.273 0.000 1.181 435 Y CB -0.516 37.853 38.460 -0.151 0.000 0.989 435 Y HN 0.105 nan 8.280 nan 0.000 0.527 436 V N 0.220 120.121 119.914 -0.022 0.000 2.295 436 V HA -0.310 3.809 4.120 -0.001 0.000 0.246 436 V C 2.524 178.558 176.094 -0.100 0.000 1.049 436 V CA 2.212 64.472 62.300 -0.066 0.000 1.024 436 V CB -0.582 31.192 31.823 -0.082 0.000 0.648 436 V HN 0.320 nan 8.190 nan 0.000 0.447 437 R N 0.506 120.925 120.500 -0.134 0.000 2.083 437 R HA -0.174 4.166 4.340 -0.001 0.000 0.237 437 R C 2.233 178.474 176.300 -0.098 0.000 1.137 437 R CA 1.904 57.935 56.100 -0.115 0.000 0.951 437 R CB -0.509 29.724 30.300 -0.112 0.000 0.851 437 R HN 0.450 nan 8.270 nan 0.000 0.434 438 A N 0.704 123.407 122.820 -0.193 0.000 1.933 438 A HA -0.045 4.274 4.320 -0.001 0.000 0.218 438 A C 2.384 179.934 177.584 -0.056 0.000 1.175 438 A CA 1.575 53.571 52.037 -0.069 0.000 0.628 438 A CB -0.736 18.141 19.000 -0.204 0.000 0.814 438 A HN 0.581 nan 8.150 nan 0.000 0.444 439 A N -0.125 122.645 122.820 -0.083 0.000 1.873 439 A HA -0.149 4.171 4.320 -0.001 0.000 0.215 439 A C 1.940 179.478 177.584 -0.076 0.000 1.186 439 A CA 1.531 53.528 52.037 -0.066 0.000 0.616 439 A CB -0.517 18.452 19.000 -0.052 0.000 0.823 439 A HN 0.610 nan 8.150 nan 0.000 0.442 440 E N -0.965 119.187 120.200 -0.081 0.000 2.110 440 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 440 E C 2.058 178.594 176.600 -0.108 0.000 0.988 440 E CA 1.365 57.707 56.400 -0.096 0.000 0.804 440 E CB -0.258 29.386 29.700 -0.094 0.000 0.745 440 E HN 0.746 nan 8.360 nan 0.000 0.458 441 M N 0.726 120.284 119.600 -0.071 0.000 2.123 441 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 441 M C 2.165 178.447 176.300 -0.030 0.000 1.069 441 M CA 1.304 56.559 55.300 -0.075 0.000 1.133 441 M CB 0.054 32.705 32.600 0.084 0.000 1.356 441 M HN 0.069 nan 8.290 nan 0.000 0.415 442 L N 0.060 121.318 121.223 0.058 0.000 2.079 442 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 442 L C 2.609 179.624 176.870 0.243 0.000 1.081 442 L CA 1.706 56.635 54.840 0.150 0.000 0.752 442 L CB -0.556 41.447 42.059 -0.094 0.000 0.896 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -0.982 114.788 115.700 0.118 0.000 2.496 443 S HA 0.065 4.535 4.470 -0.001 0.000 0.224 443 S C 1.969 176.746 174.600 0.294 0.000 0.996 443 S CA 0.391 58.741 58.200 0.251 0.000 0.927 443 S CB 0.009 63.158 63.200 -0.085 0.000 0.774 443 S HN 0.296 nan 8.310 nan 0.000 0.524 444 A N 0.831 123.643 122.820 -0.013 0.000 2.067 444 A HA 0.108 4.427 4.320 -0.001 0.000 0.219 444 A C 1.677 179.149 177.584 -0.187 0.000 1.158 444 A CA 0.674 52.607 52.037 -0.174 0.000 0.661 444 A CB -1.141 17.611 19.000 -0.414 0.000 0.801 444 A HN 0.758 nan 8.150 nan 0.000 0.452 445 W N -0.693 120.605 121.300 -0.003 0.000 2.392 445 W HA -0.012 4.647 4.660 -0.001 0.000 0.279 445 W C 1.022 177.332 176.519 -0.347 0.000 1.225 445 W CA 0.989 58.234 57.345 -0.167 0.000 1.233 445 W CB -0.151 29.154 29.460 -0.259 0.000 1.122 445 W HN 0.391 nan 8.180 nan 0.000 0.561 446 H N -2.317 116.806 119.070 0.089 0.000 2.771 446 H HA 0.375 4.931 4.556 -0.001 0.000 0.367 446 H C -0.468 174.756 175.328 -0.175 0.000 1.172 446 H CA -0.916 55.023 56.048 -0.182 0.000 1.186 446 H CB 1.804 31.203 29.762 -0.605 0.000 1.790 446 H HN -0.443 nan 8.280 nan 0.000 0.556 447 S N 0.840 116.495 115.700 -0.075 0.000 2.508 447 S HA 0.318 4.787 4.470 -0.001 0.000 0.284 447 S C -1.437 173.076 174.600 -0.145 0.000 1.192 447 S CA -0.678 57.511 58.200 -0.019 0.000 1.070 447 S CB 0.192 63.387 63.200 -0.009 0.000 1.004 447 S HN 0.389 nan 8.310 nan 0.000 0.493 448 W N 2.311 123.611 121.300 -0.001 0.000 2.666 448 W HA 0.362 5.022 4.660 -0.001 0.000 0.334 448 W C -0.075 176.402 176.519 -0.070 0.000 1.051 448 W CA -0.862 56.456 57.345 -0.045 0.000 1.224 448 W CB 0.612 30.008 29.460 -0.106 0.000 1.405 448 W HN 0.633 nan 8.180 nan 0.000 0.513 449 D N 0.810 121.300 120.400 0.150 0.000 2.455 449 D HA 0.154 4.793 4.640 -0.001 0.000 0.241 449 D C 1.652 177.964 176.300 0.019 0.000 1.138 449 D CA 1.108 55.159 54.000 0.084 0.000 0.877 449 D CB 1.252 42.132 40.800 0.133 0.000 1.187 449 D HN 0.554 nan 8.370 nan 0.000 0.451 450 G N 3.387 112.205 108.800 0.031 0.000 2.475 450 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.220 450 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.220 450 G C 1.370 176.257 174.900 -0.023 0.000 1.125 450 G CA 0.427 45.531 45.100 0.006 0.000 0.755 450 G HN 0.506 nan 8.290 nan 0.000 0.565 451 M N 0.950 120.554 119.600 0.007 0.000 2.435 451 M HA -0.006 4.474 4.480 -0.001 0.000 0.262 451 M C 2.631 178.887 176.300 -0.074 0.000 1.065 451 M CA 0.980 56.312 55.300 0.053 0.000 1.076 451 M CB -0.778 31.964 32.600 0.237 0.000 1.403 451 M HN 0.351 nan 8.290 nan 0.000 0.454 452 A N -0.747 121.845 122.820 -0.379 0.000 2.195 452 A HA 0.084 4.403 4.320 -0.001 0.000 0.210 452 A C 1.146 178.521 177.584 -0.348 0.000 1.165 452 A CA -0.012 51.493 52.037 -0.887 0.000 0.806 452 A CB -0.088 18.246 19.000 -1.110 0.000 0.847 452 A HN 0.541 nan 8.150 nan 0.000 0.482 453 R N -1.122 119.257 120.500 -0.201 0.000 3.516 453 R HA -0.175 4.164 4.340 -0.001 0.000 0.271 453 R C 0.584 176.776 176.300 -0.180 0.000 1.098 453 R CA 0.690 56.713 56.100 -0.128 0.000 0.732 453 R CB -1.989 28.272 30.300 -0.065 0.000 1.152 453 R HN 0.453 nan 8.270 nan 0.000 0.455 454 I N 0.350 120.761 120.570 -0.264 0.000 2.193 454 I HA -0.152 4.018 4.170 -0.001 0.000 0.240 454 I C 2.136 178.129 176.117 -0.206 0.000 1.084 454 I CA 1.524 62.620 61.300 -0.341 0.000 1.365 454 I CB -0.644 37.003 38.000 -0.588 0.000 1.064 454 I HN 0.186 nan 8.210 nan 0.000 0.410 455 E N 0.736 120.854 120.200 -0.138 0.000 2.110 455 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 455 E C 2.102 178.657 176.600 -0.075 0.000 0.988 455 E CA 1.110 57.459 56.400 -0.086 0.000 0.804 455 E CB -0.208 29.465 29.700 -0.045 0.000 0.745 455 E HN 0.442 nan 8.360 nan 0.000 0.458 456 E N 0.320 120.477 120.200 -0.071 0.000 2.031 456 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 456 E C 1.930 178.492 176.600 -0.064 0.000 0.994 456 E CA 1.059 57.426 56.400 -0.054 0.000 0.800 456 E CB 0.106 29.780 29.700 -0.043 0.000 0.752 456 E HN -0.037 nan 8.360 nan 0.000 0.447 457 R N 0.319 120.770 120.500 -0.082 0.000 2.092 457 R HA -0.002 4.338 4.340 -0.001 0.000 0.231 457 R C 2.370 178.620 176.300 -0.083 0.000 1.119 457 R CA 0.791 56.844 56.100 -0.077 0.000 0.970 457 R CB -0.510 29.737 30.300 -0.087 0.000 0.864 457 R HN 0.278 nan 8.270 nan 0.000 0.440 458 L N -0.126 121.036 121.223 -0.101 0.000 2.093 458 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 458 L C 2.337 179.148 176.870 -0.098 0.000 1.085 458 L CA 1.476 56.257 54.840 -0.100 0.000 0.755 458 L CB -0.396 41.597 42.059 -0.110 0.000 0.904 458 L HN 0.299 nan 8.230 nan 0.000 0.435 459 E N 0.105 120.251 120.200 -0.090 0.000 2.072 459 E HA -0.296 4.053 4.350 -0.001 0.000 0.191 459 E C 2.223 178.752 176.600 -0.118 0.000 0.985 459 E CA 1.242 57.581 56.400 -0.102 0.000 0.801 459 E CB 0.003 29.665 29.700 -0.064 0.000 0.750 459 E HN 0.413 nan 8.360 nan 0.000 0.452 460 Q N -0.009 119.740 119.800 -0.084 0.000 2.084 460 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 460 Q C 2.056 178.005 176.000 -0.086 0.000 0.978 460 Q CA 1.536 57.295 55.803 -0.072 0.000 0.844 460 Q CB -0.200 28.510 28.738 -0.047 0.000 0.898 460 Q HN 0.342 nan 8.270 nan 0.000 0.426 461 A N 1.149 123.918 122.820 -0.085 0.000 1.877 461 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 461 A C 2.101 179.619 177.584 -0.109 0.000 1.186 461 A CA 1.415 53.401 52.037 -0.084 0.000 0.620 461 A CB -0.486 18.471 19.000 -0.072 0.000 0.822 461 A HN 0.374 nan 8.150 nan 0.000 0.443 462 R N -0.767 119.650 120.500 -0.139 0.000 2.081 462 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 462 R C 2.443 178.588 176.300 -0.258 0.000 1.131 462 R CA 1.552 57.545 56.100 -0.178 0.000 0.960 462 R CB -0.283 29.901 30.300 -0.194 0.000 0.856 462 R HN 0.486 nan 8.270 nan 0.000 0.436 463 R N 0.314 120.624 120.500 -0.318 0.000 2.092 463 R HA -0.075 4.265 4.340 -0.001 0.000 0.231 463 R C 2.066 178.293 176.300 -0.122 0.000 1.119 463 R CA 0.947 56.785 56.100 -0.437 0.000 0.970 463 R CB 0.009 30.085 30.300 -0.373 0.000 0.864 463 R HN 0.206 nan 8.270 nan 0.000 0.440 464 E N 0.758 120.922 120.200 -0.061 0.000 2.072 464 E HA -0.158 4.191 4.350 -0.001 0.000 0.190 464 E C 1.978 178.604 176.600 0.042 0.000 0.982 464 E CA 0.733 57.143 56.400 0.015 0.000 0.803 464 E CB -0.198 29.498 29.700 -0.006 0.000 0.755 464 E HN 0.153 nan 8.360 nan 0.000 0.453 465 L N 1.177 122.393 121.223 -0.011 0.000 2.093 465 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 465 L C 2.138 179.047 176.870 0.066 0.000 1.085 465 L CA 1.551 56.405 54.840 0.023 0.000 0.755 465 L CB -0.530 41.507 42.059 -0.037 0.000 0.904 465 L HN -0.108 nan 8.230 nan 0.000 0.435 466 S N -0.379 115.323 115.700 0.004 0.000 2.368 466 S HA -0.165 4.305 4.470 -0.001 0.000 0.225 466 S C 1.832 176.569 174.600 0.228 0.000 1.030 466 S CA 1.516 59.749 58.200 0.056 0.000 0.999 466 S CB -0.559 62.569 63.200 -0.121 0.000 0.844 466 S HN 0.473 nan 8.310 nan 0.000 0.459 467 L N 0.716 122.117 121.223 0.296 0.000 2.046 467 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 467 L C 1.860 178.824 176.870 0.157 0.000 1.077 467 L CA 1.637 56.645 54.840 0.281 0.000 0.747 467 L CB -0.634 41.557 42.059 0.220 0.000 0.896 467 L HN 0.281 nan 8.230 nan 0.000 0.432 468 F N -0.192 119.722 119.950 -0.060 0.000 2.451 468 F HA -0.128 4.398 4.527 -0.000 0.000 0.299 468 F C 2.187 177.900 175.800 -0.146 0.000 1.101 468 F CA 0.877 58.730 58.000 -0.245 0.000 1.436 468 F CB -0.274 38.623 39.000 -0.172 0.000 1.074 468 F HN 0.254 nan 8.300 nan 0.000 0.553 469 Q N -0.377 119.367 119.800 -0.093 0.000 2.437 469 Q HA -0.150 4.190 4.340 -0.001 0.000 0.210 469 Q C 0.597 176.524 176.000 -0.121 0.000 0.972 469 Q CA 0.504 56.231 55.803 -0.126 0.000 0.903 469 Q CB -1.309 27.432 28.738 0.005 0.000 0.967 469 Q HN 0.508 nan 8.270 nan 0.000 0.486 470 H N 1.865 120.812 119.070 -0.206 0.000 3.058 470 H HA -0.122 4.433 4.556 -0.001 0.000 0.347 470 H C 1.255 176.424 175.328 -0.264 0.000 1.087 470 H CA 0.812 56.737 56.048 -0.205 0.000 1.375 470 H CB 0.551 30.205 29.762 -0.180 0.000 1.312 470 H HN 0.251 nan 8.280 nan 0.000 0.607 471 H N 1.794 120.447 119.070 -0.695 0.000 2.562 471 H HA 0.013 4.569 4.556 -0.001 0.000 0.272 471 H C -0.316 174.572 175.328 -0.733 0.000 1.019 471 H CA 0.639 56.237 56.048 -0.751 0.000 1.160 471 H CB 0.314 29.630 29.762 -0.743 0.000 1.334 471 H HN 0.591 nan 8.280 nan 0.000 0.611 472 D N 0.286 120.040 120.400 -1.076 0.000 2.503 472 D HA 0.126 4.766 4.640 -0.001 0.000 0.218 472 D C 1.599 177.901 176.300 0.003 0.000 1.183 472 D CA 0.261 54.138 54.000 -0.205 0.000 0.827 472 D CB 0.898 41.800 40.800 0.170 0.000 1.034 472 D HN 0.516 nan 8.370 nan 0.000 0.510 473 G N 1.244 109.835 108.800 -0.347 0.000 2.618 473 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.222 473 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.222 473 G C 1.357 175.726 174.900 -0.885 0.000 1.520 473 G CA -0.195 44.468 45.100 -0.728 0.000 0.930 473 G HN 0.195 nan 8.290 nan 0.000 0.547 474 I N 2.030 121.717 120.570 -1.472 0.000 2.399 474 I HA -0.209 3.960 4.170 -0.001 0.000 0.254 474 I C 2.886 178.913 176.117 -0.151 0.000 1.146 474 I CA 2.090 62.847 61.300 -0.905 0.000 1.412 474 I CB -0.066 37.551 38.000 -0.638 0.000 1.076 474 I HN 0.388 nan 8.210 nan 0.000 0.432 475 T N -1.669 112.845 114.554 -0.068 0.000 3.007 475 T HA 0.011 4.360 4.350 -0.001 0.000 0.270 475 T C 1.546 176.402 174.700 0.259 0.000 1.107 475 T CA 0.660 62.907 62.100 0.246 0.000 1.118 475 T CB -0.538 68.466 68.868 0.228 0.000 0.889 475 T HN 0.645 nan 8.240 nan 0.000 0.506 476 G N 1.434 110.347 108.800 0.188 0.000 2.176 476 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.252 476 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.252 476 G C 0.590 175.578 174.900 0.147 0.000 1.024 476 G CA 0.678 45.912 45.100 0.224 0.000 0.755 476 G HN 1.120 nan 8.290 nan 0.000 0.507 477 T N -3.210 111.424 114.554 0.134 0.000 3.176 477 T HA 0.730 5.079 4.350 -0.001 0.000 0.263 477 T C 0.956 175.853 174.700 0.328 0.000 1.021 477 T CA 1.042 63.150 62.100 0.013 0.000 0.905 477 T CB 0.938 69.660 68.868 -0.243 0.000 1.057 477 T HN 1.535 nan 8.240 nan 0.000 0.558 478 A N 1.326 124.364 122.820 0.363 0.000 2.256 478 A HA 0.664 4.983 4.320 -0.001 0.000 0.318 478 A C 0.277 177.973 177.584 0.187 0.000 1.103 478 A CA -0.895 51.389 52.037 0.411 0.000 0.860 478 A CB 0.779 20.053 19.000 0.456 0.000 1.182 478 A HN 0.393 nan 8.150 nan 0.000 0.501 479 K N -0.317 120.126 120.400 0.072 0.000 2.219 479 K HA 0.181 4.501 4.320 -0.001 0.000 0.258 479 K C 1.137 177.757 176.600 0.032 0.000 1.008 479 K CA 0.270 56.577 56.287 0.033 0.000 0.928 479 K CB 0.414 32.928 32.500 0.023 0.000 0.983 479 K HN 0.743 nan 8.250 nan 0.000 0.484 480 T N 1.269 115.864 114.554 0.070 0.000 2.624 480 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 480 T C 1.653 176.382 174.700 0.048 0.000 1.041 480 T CA 1.887 64.027 62.100 0.067 0.000 1.159 480 T CB -0.446 68.469 68.868 0.079 0.000 0.863 480 T HN 0.691 nan 8.240 nan 0.000 0.434 481 H N 0.635 119.695 119.070 -0.016 0.000 2.521 481 H HA 0.114 4.670 4.556 -0.001 0.000 0.286 481 H C 1.947 177.240 175.328 -0.058 0.000 1.034 481 H CA 0.733 56.763 56.048 -0.030 0.000 1.278 481 H CB -0.727 29.014 29.762 -0.035 0.000 1.386 481 H HN 0.281 nan 8.280 nan 0.000 0.567 482 V N 0.912 120.450 119.914 -0.626 0.000 2.535 482 V HA -0.143 3.976 4.120 -0.001 0.000 0.246 482 V C 2.957 178.837 176.094 -0.357 0.000 1.045 482 V CA 0.980 62.937 62.300 -0.571 0.000 1.058 482 V CB -0.303 31.266 31.823 -0.423 0.000 0.689 482 V HN 0.233 nan 8.190 nan 0.000 0.461 483 V N -0.034 119.813 119.914 -0.110 0.000 2.343 483 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 483 V C 2.460 178.509 176.094 -0.075 0.000 1.051 483 V CA 1.888 64.188 62.300 -0.001 0.000 1.036 483 V CB -0.431 31.358 31.823 -0.057 0.000 0.654 483 V HN 0.408 nan 8.190 nan 0.000 0.451 484 V N 0.386 120.264 119.914 -0.060 0.000 2.343 484 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 484 V C 2.310 178.399 176.094 -0.009 0.000 1.051 484 V CA 2.447 64.745 62.300 -0.003 0.000 1.036 484 V CB -0.662 31.175 31.823 0.023 0.000 0.654 484 V HN 0.648 nan 8.190 nan 0.000 0.451 485 D N -0.943 119.404 120.400 -0.089 0.000 2.097 485 D HA -0.211 4.428 4.640 -0.001 0.000 0.195 485 D C 2.012 178.302 176.300 -0.017 0.000 0.989 485 D CA 1.726 55.672 54.000 -0.090 0.000 0.827 485 D CB -0.275 40.405 40.800 -0.200 0.000 0.966 485 D HN 0.592 nan 8.370 nan 0.000 0.456 486 Y N 0.471 120.788 120.300 0.028 0.000 2.165 486 Y HA -0.166 4.384 4.550 -0.001 0.000 0.286 486 Y C 2.593 178.436 175.900 -0.094 0.000 1.155 486 Y CA 1.203 59.309 58.100 0.009 0.000 1.164 486 Y CB -0.166 38.351 38.460 0.095 0.000 0.978 486 Y HN 0.105 nan 8.280 nan 0.000 0.513 487 E N 0.511 120.780 120.200 0.116 0.000 2.051 487 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 487 E C 1.988 178.648 176.600 0.100 0.000 0.991 487 E CA 1.453 57.939 56.400 0.143 0.000 0.799 487 E CB -0.050 29.816 29.700 0.277 0.000 0.748 487 E HN 0.580 nan 8.360 nan 0.000 0.449 488 Q N -0.070 119.778 119.800 0.079 0.000 2.124 488 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 488 Q C 2.325 178.350 176.000 0.042 0.000 0.977 488 Q CA 1.210 57.048 55.803 0.058 0.000 0.850 488 Q CB -0.141 28.625 28.738 0.046 0.000 0.901 488 Q HN 0.196 nan 8.270 nan 0.000 0.429 489 R N 0.298 120.826 120.500 0.047 0.000 2.081 489 R HA -0.051 4.288 4.340 -0.001 0.000 0.235 489 R C 2.289 178.591 176.300 0.002 0.000 1.131 489 R CA 1.459 57.580 56.100 0.036 0.000 0.960 489 R CB -0.162 30.182 30.300 0.074 0.000 0.856 489 R HN 0.283 nan 8.270 nan 0.000 0.436 490 M N -0.082 119.504 119.600 -0.024 0.000 2.229 490 M HA -0.166 4.313 4.480 -0.001 0.000 0.264 490 M C 2.298 178.559 176.300 -0.066 0.000 1.063 490 M CA 1.361 56.609 55.300 -0.087 0.000 1.114 490 M CB -0.124 32.363 32.600 -0.189 0.000 1.387 490 M HN 0.056 nan 8.290 nan 0.000 0.420 491 Q N 0.941 120.737 119.800 -0.006 0.000 2.084 491 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 491 Q C 1.777 177.774 176.000 -0.004 0.000 0.978 491 Q CA 1.614 57.427 55.803 0.017 0.000 0.844 491 Q CB -0.039 28.735 28.738 0.060 0.000 0.898 491 Q HN 0.328 nan 8.270 nan 0.000 0.426 492 E N -0.220 119.979 120.200 -0.002 0.000 2.110 492 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 492 E C 1.824 178.410 176.600 -0.023 0.000 0.988 492 E CA 1.103 57.499 56.400 -0.006 0.000 0.804 492 E CB -0.405 29.295 29.700 -0.000 0.000 0.745 492 E HN 0.472 nan 8.360 nan 0.000 0.458 493 A N 1.213 124.009 122.820 -0.041 0.000 1.902 493 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 493 A C 2.395 179.940 177.584 -0.065 0.000 1.181 493 A CA 0.995 52.998 52.037 -0.058 0.000 0.623 493 A CB -0.699 18.255 19.000 -0.076 0.000 0.818 493 A HN 0.176 nan 8.150 nan 0.000 0.443 494 L N -0.650 120.511 121.223 -0.104 0.000 2.012 494 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 494 L C 2.628 179.489 176.870 -0.016 0.000 1.073 494 L CA 1.822 56.575 54.840 -0.145 0.000 0.748 494 L CB -0.441 41.475 42.059 -0.238 0.000 0.891 494 L HN 0.374 nan 8.230 nan 0.000 0.431 495 K N -0.190 120.207 120.400 -0.005 0.000 2.097 495 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 495 K C 2.213 178.826 176.600 0.023 0.000 1.049 495 K CA 1.320 57.620 56.287 0.022 0.000 0.933 495 K CB -0.232 32.275 32.500 0.010 0.000 0.717 495 K HN 0.299 nan 8.250 nan 0.000 0.442 496 A N 1.179 124.000 122.820 0.002 0.000 1.877 496 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 496 A C 2.467 180.053 177.584 0.002 0.000 1.186 496 A CA 1.546 53.577 52.037 -0.010 0.000 0.620 496 A CB -1.019 17.963 19.000 -0.030 0.000 0.822 496 A HN 0.409 nan 8.150 nan 0.000 0.443 497 C N -0.928 118.389 119.300 0.029 0.000 2.413 497 C HA -0.150 4.310 4.460 -0.001 0.000 0.276 497 C C 2.883 177.932 174.990 0.098 0.000 1.236 497 C CA 1.324 60.380 59.018 0.064 0.000 1.735 497 C CB -1.363 26.468 27.740 0.152 0.000 2.031 497 C HN 0.799 nan 8.230 nan 0.000 0.474 498 Q N 0.282 120.170 119.800 0.147 0.000 2.061 498 Q HA -0.289 4.050 4.340 -0.001 0.000 0.204 498 Q C 2.171 178.246 176.000 0.124 0.000 0.984 498 Q CA 2.178 58.073 55.803 0.154 0.000 0.846 498 Q CB -0.297 28.532 28.738 0.152 0.000 0.902 498 Q HN 0.594 nan 8.270 nan 0.000 0.421 499 M N -0.059 119.583 119.600 0.071 0.000 2.065 499 M HA -0.154 4.326 4.480 -0.001 0.000 0.259 499 M C 1.885 178.202 176.300 0.028 0.000 1.069 499 M CA 1.686 57.015 55.300 0.049 0.000 1.110 499 M CB -0.575 32.032 32.600 0.012 0.000 1.328 499 M HN 0.146 nan 8.290 nan 0.000 0.405 500 V N 0.197 120.091 119.914 -0.034 0.000 2.343 500 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 500 V C 2.444 178.498 176.094 -0.065 0.000 1.051 500 V CA 2.189 64.410 62.300 -0.130 0.000 1.036 500 V CB -0.699 31.022 31.823 -0.170 0.000 0.654 500 V HN 0.574 nan 8.190 nan 0.000 0.451 501 M N 0.181 119.799 119.600 0.030 0.000 2.086 501 M HA -0.253 4.226 4.480 -0.001 0.000 0.261 501 M C 2.393 178.734 176.300 0.069 0.000 1.067 501 M CA 2.395 57.746 55.300 0.086 0.000 1.116 501 M CB -0.466 32.278 32.600 0.240 0.000 1.348 501 M HN 0.537 nan 8.290 nan 0.000 0.407 502 Q N -0.161 119.764 119.800 0.210 0.000 2.119 502 Q HA -0.142 4.197 4.340 -0.001 0.000 0.201 502 Q C 1.823 177.995 176.000 0.286 0.000 0.972 502 Q CA 1.218 57.157 55.803 0.228 0.000 0.847 502 Q CB -0.660 28.327 28.738 0.415 0.000 0.903 502 Q HN 0.410 nan 8.270 nan 0.000 0.433 503 Q N 0.582 120.547 119.800 0.275 0.000 2.084 503 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 503 Q C 2.309 178.554 176.000 0.408 0.000 0.978 503 Q CA 1.712 57.759 55.803 0.406 0.000 0.844 503 Q CB -0.252 28.627 28.738 0.235 0.000 0.898 503 Q HN 0.512 nan 8.270 nan 0.000 0.426 504 S N 0.390 116.210 115.700 0.200 0.000 2.356 504 S HA -0.097 4.373 4.470 -0.001 0.000 0.223 504 S C 2.213 176.855 174.600 0.070 0.000 1.032 504 S CA 1.110 59.476 58.200 0.276 0.000 1.005 504 S CB -0.247 63.046 63.200 0.155 0.000 0.867 504 S HN 0.135 nan 8.310 nan 0.000 0.449 505 V N 0.785 120.604 119.914 -0.157 0.000 2.343 505 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 505 V C 2.012 178.072 176.094 -0.056 0.000 1.051 505 V CA 1.859 63.944 62.300 -0.359 0.000 1.036 505 V CB -0.772 30.418 31.823 -1.056 0.000 0.654 505 V HN 0.539 nan 8.190 nan 0.000 0.451 506 Y N 1.206 121.544 120.300 0.064 0.000 2.165 506 Y HA -0.257 4.293 4.550 -0.001 0.000 0.286 506 Y C 2.725 178.678 175.900 0.089 0.000 1.155 506 Y CA 2.202 60.432 58.100 0.218 0.000 1.164 506 Y CB -0.339 38.191 38.460 0.116 0.000 0.978 506 Y HN 0.106 nan 8.280 nan 0.000 0.513 507 R N -0.253 120.144 120.500 -0.172 0.000 2.090 507 R HA -0.075 4.265 4.340 -0.001 0.000 0.228 507 R C 2.133 178.115 176.300 -0.530 0.000 1.110 507 R CA 1.405 57.051 56.100 -0.756 0.000 0.973 507 R CB -0.336 29.545 30.300 -0.698 0.000 0.869 507 R HN 0.429 nan 8.270 nan 0.000 0.440 508 L N 0.322 121.377 121.223 -0.281 0.000 2.376 508 L HA -0.051 4.288 4.340 -0.001 0.000 0.219 508 L C 1.350 178.089 176.870 -0.218 0.000 1.133 508 L CA 0.739 55.372 54.840 -0.345 0.000 0.816 508 L CB 0.147 41.850 42.059 -0.593 0.000 0.933 508 L HN 0.244 nan 8.230 nan 0.000 0.449 509 L N -1.391 119.799 121.223 -0.056 0.000 3.122 509 L HA 0.220 4.560 4.340 -0.001 0.000 0.274 509 L C -0.180 176.735 176.870 0.074 0.000 1.222 509 L CA -0.092 54.802 54.840 0.090 0.000 1.028 509 L CB 0.654 42.931 42.059 0.364 0.000 1.386 509 L HN -0.017 nan 8.230 nan 0.000 0.578 510 T N 0.277 114.793 114.554 -0.064 0.000 2.829 510 T HA 0.181 4.531 4.350 -0.001 0.000 0.280 510 T C -0.088 174.522 174.700 -0.149 0.000 0.999 510 T CA -0.533 61.510 62.100 -0.095 0.000 0.983 510 T CB 2.348 71.097 68.868 -0.199 0.000 0.968 510 T HN 0.012 nan 8.240 nan 0.000 0.446 511 K N 3.853 124.184 120.400 -0.115 0.000 2.504 511 K HA -0.022 4.297 4.320 -0.001 0.000 0.278 511 K C -1.749 174.814 176.600 -0.062 0.000 1.025 511 K CA -1.069 55.164 56.287 -0.089 0.000 1.093 511 K CB 0.430 32.886 32.500 -0.074 0.000 0.873 511 K HN 0.185 nan 8.250 nan 0.000 0.483 512 P HA -0.217 nan 4.420 nan 0.000 0.216 512 P C 0.884 178.197 177.300 0.022 0.000 1.153 512 P CA 1.630 64.706 63.100 -0.040 0.000 0.858 512 P CB 0.132 31.801 31.700 -0.052 0.000 0.789 513 S N -2.052 113.651 115.700 0.004 0.000 2.555 513 S HA 0.000 4.470 4.470 -0.001 0.000 0.230 513 S C 1.700 176.311 174.600 0.018 0.000 0.978 513 S CA 0.684 58.890 58.200 0.010 0.000 0.934 513 S CB -1.124 62.075 63.200 -0.003 0.000 0.766 513 S HN 0.114 nan 8.310 nan 0.000 0.533 514 I N -0.856 119.732 120.570 0.030 0.000 3.790 514 I HA 0.194 4.364 4.170 -0.001 0.000 0.305 514 I C 0.524 176.689 176.117 0.079 0.000 1.253 514 I CA -0.357 60.967 61.300 0.040 0.000 1.355 514 I CB -0.074 37.942 38.000 0.027 0.000 1.137 514 I HN 0.269 nan 8.210 nan 0.000 0.435 515 Y N 2.952 123.203 120.300 -0.081 0.000 2.804 515 Y HA -0.055 4.494 4.550 -0.001 0.000 0.338 515 Y C 0.408 176.289 175.900 -0.032 0.000 1.252 515 Y CA 0.091 58.114 58.100 -0.128 0.000 1.576 515 Y CB 0.341 38.669 38.460 -0.219 0.000 1.223 515 Y HN -0.132 nan 8.280 nan 0.000 0.536 516 S N 9.036 124.559 115.700 -0.294 0.000 2.279 516 S HA 0.359 4.829 4.470 -0.001 0.000 0.176 516 S C -2.822 171.593 174.600 -0.307 0.000 1.554 516 S CA -1.246 56.773 58.200 -0.302 0.000 1.242 516 S CB 0.014 63.155 63.200 -0.098 0.000 1.163 516 S HN 0.659 nan 8.310 nan 0.000 0.449 517 P HA 0.312 nan 4.420 nan 0.000 0.280 517 P C -1.191 175.873 177.300 -0.394 0.000 1.244 517 P CA -0.191 62.693 63.100 -0.359 0.000 0.784 517 P CB 0.923 32.356 31.700 -0.446 0.000 0.913 518 D N 2.724 123.086 120.400 -0.063 0.000 2.441 518 D HA 0.146 4.785 4.640 -0.001 0.000 0.231 518 D C 0.373 176.700 176.300 0.045 0.000 1.073 518 D CA -0.736 53.191 54.000 -0.123 0.000 0.850 518 D CB 0.169 40.922 40.800 -0.077 0.000 1.062 518 D HN 0.033 nan 8.370 nan 0.000 0.524 519 F N 1.679 121.743 119.950 0.190 0.000 2.583 519 F HA -0.080 4.447 4.527 -0.001 0.000 0.297 519 F C 2.424 178.294 175.800 0.117 0.000 1.131 519 F CA 0.705 58.814 58.000 0.182 0.000 1.467 519 F CB -0.542 38.545 39.000 0.146 0.000 1.097 519 F HN 0.375 nan 8.300 nan 0.000 0.586 520 S N -1.966 113.866 115.700 0.220 0.000 2.511 520 S HA 0.106 4.576 4.470 -0.001 0.000 0.214 520 S C 0.420 175.056 174.600 0.060 0.000 0.997 520 S CA -0.405 57.870 58.200 0.124 0.000 0.908 520 S CB -0.624 62.630 63.200 0.090 0.000 0.803 520 S HN 0.080 nan 8.310 nan 0.000 0.504 521 F N 3.052 122.922 119.950 -0.133 0.000 2.389 521 F HA 0.560 5.087 4.527 -0.001 0.000 0.337 521 F C 0.084 175.640 175.800 -0.407 0.000 1.112 521 F CA -0.579 57.209 58.000 -0.354 0.000 1.192 521 F CB 1.370 39.994 39.000 -0.625 0.000 1.185 521 F HN -0.049 nan 8.300 nan 0.000 0.552 522 S N 5.874 120.785 115.700 -1.314 0.000 2.543 522 S HA 0.166 4.636 4.470 -0.001 0.000 0.299 522 S C 0.424 174.425 174.600 -1.000 0.000 1.125 522 S CA -0.348 57.361 58.200 -0.818 0.000 1.098 522 S CB -0.211 62.648 63.200 -0.569 0.000 1.063 522 S HN 0.671 nan 8.310 nan 0.000 0.493 523 Y N 1.583 121.651 120.300 -0.387 0.000 2.314 523 Y HA 0.095 4.644 4.550 -0.001 0.000 0.293 523 Y C 0.378 175.787 175.900 -0.818 0.000 1.129 523 Y CA 0.848 58.623 58.100 -0.542 0.000 1.201 523 Y CB 0.159 38.354 38.460 -0.442 0.000 0.999 523 Y HN 0.480 nan 8.280 nan 0.000 0.541 524 F N -1.816 118.090 119.950 -0.072 0.000 2.603 524 F HA 0.452 4.979 4.527 -0.001 0.000 0.317 524 F C -0.121 175.705 175.800 0.043 0.000 1.066 524 F CA -1.326 56.688 58.000 0.023 0.000 0.941 524 F CB 1.636 40.788 39.000 0.253 0.000 1.291 524 F HN -0.523 nan 8.300 nan 0.000 0.472 525 T N 3.001 117.720 114.554 0.274 0.000 2.797 525 T HA 0.527 4.877 4.350 -0.001 0.000 0.279 525 T C -0.247 174.566 174.700 0.188 0.000 0.991 525 T CA -0.564 61.633 62.100 0.162 0.000 0.979 525 T CB 0.881 69.801 68.868 0.086 0.000 0.943 525 T HN 0.310 nan 8.240 nan 0.000 0.444 526 L N 2.792 124.061 121.223 0.078 0.000 2.439 526 L HA 0.356 4.696 4.340 -0.001 0.000 0.269 526 L C 0.245 177.102 176.870 -0.022 0.000 1.179 526 L CA -0.219 54.557 54.840 -0.106 0.000 0.828 526 L CB 0.601 42.575 42.059 -0.142 0.000 1.106 526 L HN 0.650 nan 8.230 nan 0.000 0.467 527 D N 1.563 121.927 120.400 -0.060 0.000 2.481 527 D HA 0.190 4.830 4.640 -0.001 0.000 0.246 527 D C -1.214 175.010 176.300 -0.126 0.000 1.109 527 D CA -0.396 53.572 54.000 -0.052 0.000 0.845 527 D CB 1.107 41.910 40.800 0.005 0.000 1.160 527 D HN 0.279 nan 8.370 nan 0.000 0.534 528 D N 2.535 122.889 120.400 -0.077 0.000 2.425 528 D HA 0.181 4.821 4.640 -0.001 0.000 0.240 528 D C 0.158 176.406 176.300 -0.087 0.000 1.080 528 D CA -0.415 53.563 54.000 -0.035 0.000 0.836 528 D CB 1.837 42.724 40.800 0.145 0.000 1.125 528 D HN 0.262 nan 8.370 nan 0.000 0.525 529 S N 2.644 118.263 115.700 -0.134 0.000 2.489 529 S HA 0.008 4.478 4.470 -0.001 0.000 0.228 529 S C 1.389 175.949 174.600 -0.066 0.000 0.995 529 S CA 0.583 58.697 58.200 -0.144 0.000 0.934 529 S CB 0.368 63.469 63.200 -0.164 0.000 0.771 529 S HN 0.491 nan 8.310 nan 0.000 0.522 530 R N -0.596 119.901 120.500 -0.006 0.000 2.535 530 R HA 0.218 4.557 4.340 -0.001 0.000 0.323 530 R C -0.644 175.732 176.300 0.126 0.000 0.979 530 R CA -0.107 56.015 56.100 0.036 0.000 1.120 530 R CB 0.751 31.072 30.300 0.035 0.000 1.306 530 R HN 0.334 nan 8.270 nan 0.000 0.540 531 W N 1.235 122.493 121.300 -0.070 0.000 3.326 531 W HA 0.285 4.945 4.660 -0.001 0.000 0.333 531 W C -2.934 173.544 176.519 -0.069 0.000 1.108 531 W CA -1.981 55.309 57.345 -0.091 0.000 1.245 531 W CB 1.761 31.154 29.460 -0.111 0.000 1.331 531 W HN -0.183 nan 8.180 nan 0.000 0.464 532 P HA 0.079 nan 4.420 nan 0.000 0.225 532 P C 0.354 177.277 177.300 -0.628 0.000 1.148 532 P CA 1.832 64.089 63.100 -1.406 0.000 0.779 532 P CB 0.272 31.432 31.700 -0.900 0.000 0.780 533 G N -0.943 107.668 108.800 -0.315 0.000 2.617 533 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.686 533 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.686 533 G C -0.402 174.439 174.900 -0.098 0.000 1.214 533 G CA -0.458 44.552 45.100 -0.150 0.000 0.796 533 G HN 0.127 nan 8.290 nan 0.000 0.654 534 S N 0.370 116.054 115.700 -0.027 0.000 2.537 534 S HA 0.533 5.003 4.470 -0.001 0.000 0.286 534 S C 1.854 176.461 174.600 0.012 0.000 1.299 534 S CA 1.962 60.180 58.200 0.030 0.000 1.067 534 S CB 0.408 63.664 63.200 0.094 0.000 0.864 534 S HN 2.746 nan 8.310 nan 0.000 0.494 535 G N 2.834 111.644 108.800 0.017 0.000 2.217 535 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.246 535 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.246 535 G C 0.633 175.520 174.900 -0.022 0.000 0.990 535 G CA 0.300 45.406 45.100 0.011 0.000 0.627 535 G HN 0.950 nan 8.290 nan 0.000 0.522 536 V N -0.113 119.765 119.914 -0.060 0.000 2.788 536 V HA 0.443 4.562 4.120 -0.001 0.000 0.241 536 V C 0.788 176.824 176.094 -0.095 0.000 1.083 536 V CA 1.845 64.091 62.300 -0.090 0.000 1.103 536 V CB 0.922 32.650 31.823 -0.157 0.000 0.800 536 V HN 0.529 nan 8.190 nan 0.000 0.476 537 E N 0.011 120.149 120.200 -0.104 0.000 2.347 537 E HA 0.172 4.522 4.350 -0.001 0.000 0.285 537 E C -1.854 174.717 176.600 -0.048 0.000 0.925 537 E CA -0.524 55.825 56.400 -0.085 0.000 0.779 537 E CB 1.782 31.402 29.700 -0.133 0.000 1.233 537 E HN 0.120 nan 8.360 nan 0.000 0.414 538 D N 2.551 122.945 120.400 -0.011 0.000 2.453 538 D HA 0.117 4.756 4.640 -0.001 0.000 0.223 538 D C 0.327 176.635 176.300 0.014 0.000 1.183 538 D CA 0.235 54.251 54.000 0.026 0.000 0.933 538 D CB 0.715 41.539 40.800 0.039 0.000 1.038 538 D HN 0.393 nan 8.370 nan 0.000 0.513 539 S N 2.686 118.386 115.700 -0.000 0.000 2.604 539 S HA 0.190 4.659 4.470 -0.001 0.000 0.235 539 S C 0.833 175.435 174.600 0.003 0.000 1.043 539 S CA -0.471 57.725 58.200 -0.006 0.000 0.997 539 S CB 0.494 63.674 63.200 -0.033 0.000 0.956 539 S HN 0.231 nan 8.310 nan 0.000 0.535 540 R N 2.939 123.434 120.500 -0.008 0.000 2.491 540 R HA 0.358 4.698 4.340 -0.001 0.000 0.283 540 R C 0.371 176.701 176.300 0.050 0.000 1.072 540 R CA 0.439 56.513 56.100 -0.044 0.000 1.048 540 R CB 0.595 30.743 30.300 -0.253 0.000 0.983 540 R HN 0.519 nan 8.270 nan 0.000 0.450 541 T N -0.673 113.916 114.554 0.059 0.000 2.899 541 T HA 0.197 4.547 4.350 -0.001 0.000 0.284 541 T C 0.268 175.072 174.700 0.174 0.000 1.004 541 T CA -0.636 61.526 62.100 0.104 0.000 1.043 541 T CB 1.477 70.395 68.868 0.084 0.000 1.013 541 T HN 0.351 nan 8.240 nan 0.000 0.518 542 T N 2.813 117.478 114.554 0.186 0.000 2.829 542 T HA 0.438 4.788 4.350 -0.001 0.000 0.282 542 T C 0.300 175.109 174.700 0.182 0.000 0.990 542 T CA -0.548 61.689 62.100 0.229 0.000 1.028 542 T CB 0.355 69.324 68.868 0.169 0.000 0.951 542 T HN 0.576 nan 8.240 nan 0.000 0.460 543 I N 4.143 124.839 120.570 0.210 0.000 2.347 543 I HA 0.210 4.379 4.170 -0.001 0.000 0.294 543 I C 0.104 176.310 176.117 0.148 0.000 1.090 543 I CA -0.089 61.312 61.300 0.169 0.000 1.314 543 I CB 0.194 38.296 38.000 0.171 0.000 1.423 543 I HN 0.453 nan 8.210 nan 0.000 0.503 544 I N 8.045 128.687 120.570 0.120 0.000 2.301 544 I HA 0.279 4.449 4.170 -0.001 0.000 0.292 544 I C -0.097 176.082 176.117 0.104 0.000 1.046 544 I CA -0.102 61.261 61.300 0.105 0.000 1.282 544 I CB 0.364 38.414 38.000 0.083 0.000 1.409 544 I HN 0.388 nan 8.210 nan 0.000 0.484 545 L N 5.797 127.086 121.223 0.109 0.000 2.319 545 L HA 0.960 5.299 4.340 -0.001 0.000 0.267 545 L C 0.177 177.105 176.870 0.096 0.000 1.011 545 L CA -0.720 54.183 54.840 0.105 0.000 0.818 545 L CB 2.147 44.275 42.059 0.114 0.000 1.316 545 L HN 0.689 nan 8.230 nan 0.000 0.432 546 G N -0.122 108.731 108.800 0.088 0.000 2.473 546 G HA2 0.112 4.072 3.960 -0.001 0.000 0.298 546 G HA3 0.112 4.072 3.960 -0.001 0.000 0.298 546 G C -0.195 174.747 174.900 0.071 0.000 1.575 546 G CA -0.441 44.707 45.100 0.081 0.000 0.846 546 G HN 0.706 nan 8.290 nan 0.000 0.585 547 E N 0.057 120.297 120.200 0.065 0.000 2.160 547 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 547 E C 0.832 177.460 176.600 0.047 0.000 0.991 547 E CA 1.537 57.969 56.400 0.054 0.000 0.810 547 E CB 0.149 29.877 29.700 0.047 0.000 0.742 547 E HN 0.432 nan 8.360 nan 0.000 0.466 548 D N -0.293 120.135 120.400 0.047 0.000 2.328 548 D HA 0.081 4.721 4.640 -0.001 0.000 0.221 548 D C 1.342 177.668 176.300 0.043 0.000 1.072 548 D CA 0.228 54.253 54.000 0.041 0.000 0.850 548 D CB 0.777 41.599 40.800 0.036 0.000 0.922 548 D HN 0.348 nan 8.370 nan 0.000 0.516 549 I N -0.914 119.687 120.570 0.051 0.000 4.547 549 I HA 0.125 4.294 4.170 -0.001 0.000 0.303 549 I C -1.250 174.904 176.117 0.062 0.000 1.188 549 I CA 0.054 61.386 61.300 0.053 0.000 1.320 549 I CB 1.280 39.312 38.000 0.053 0.000 1.495 549 I HN -0.192 nan 8.210 nan 0.000 0.462 550 L N 2.039 123.305 121.223 0.071 0.000 2.795 550 L HA 0.467 4.806 4.340 -0.001 0.000 0.260 550 L C -2.546 174.377 176.870 0.089 0.000 0.935 550 L CA -0.848 54.042 54.840 0.084 0.000 0.985 550 L CB 1.761 43.877 42.059 0.095 0.000 1.433 550 L HN -0.181 nan 8.230 nan 0.000 0.447 551 P HA 0.081 nan 4.420 nan 0.000 0.227 551 P C -0.172 177.185 177.300 0.095 0.000 1.161 551 P CA 0.751 63.901 63.100 0.084 0.000 0.788 551 P CB 0.502 32.244 31.700 0.071 0.000 0.822 552 S N -1.854 113.915 115.700 0.115 0.000 2.625 552 S HA 0.718 5.188 4.470 -0.001 0.000 0.271 552 S C -1.302 173.407 174.600 0.181 0.000 1.161 552 S CA -0.715 57.561 58.200 0.127 0.000 0.820 552 S CB 2.493 65.760 63.200 0.111 0.000 1.137 552 S HN -0.078 nan 8.310 nan 0.000 0.470 553 K N 0.462 120.978 120.400 0.194 0.000 2.535 553 K HA 0.580 4.899 4.320 -0.001 0.000 0.251 553 K C -2.061 174.726 176.600 0.311 0.000 0.942 553 K CA -0.235 56.217 56.287 0.274 0.000 0.798 553 K CB 1.017 33.634 32.500 0.196 0.000 1.267 553 K HN 0.836 nan 8.250 nan 0.000 0.434 554 H N 0.848 120.077 119.070 0.265 0.000 2.525 554 H HA 0.500 5.056 4.556 -0.001 0.000 0.339 554 H C -0.314 175.251 175.328 0.395 0.000 1.109 554 H CA -0.109 56.139 56.048 0.334 0.000 1.352 554 H CB 1.178 31.234 29.762 0.489 0.000 1.461 554 H HN 0.415 nan 8.280 nan 0.000 0.533 555 V N 0.881 121.065 119.914 0.449 0.000 2.962 555 V HA 0.787 4.907 4.120 -0.001 0.000 0.313 555 V C -0.756 175.683 176.094 0.576 0.000 1.099 555 V CA -0.872 61.681 62.300 0.422 0.000 0.971 555 V CB 2.071 33.888 31.823 -0.010 0.000 1.028 555 V HN 0.465 nan 8.190 nan 0.000 0.430 556 V N 3.661 123.937 119.914 0.605 0.000 2.760 556 V HA 0.630 4.749 4.120 -0.001 0.000 0.309 556 V C -0.524 175.921 176.094 0.584 0.000 1.077 556 V CA -0.370 62.248 62.300 0.530 0.000 0.910 556 V CB 1.924 33.919 31.823 0.288 0.000 1.008 556 V HN 0.945 nan 8.190 nan 0.000 0.424 557 M N 4.053 123.967 119.600 0.524 0.000 2.404 557 M HA 0.492 4.972 4.480 -0.001 0.000 0.338 557 M C -0.490 176.070 176.300 0.434 0.000 1.150 557 M CA -0.221 55.356 55.300 0.462 0.000 1.016 557 M CB 1.192 34.008 32.600 0.359 0.000 1.672 557 M HN 0.770 nan 8.290 nan 0.000 0.448 558 H N 1.962 121.236 119.070 0.340 0.000 2.492 558 H HA 0.502 5.057 4.556 -0.001 0.000 0.345 558 H C -1.341 174.097 175.328 0.182 0.000 1.136 558 H CA -0.624 55.586 56.048 0.271 0.000 1.202 558 H CB 1.196 31.179 29.762 0.367 0.000 1.524 558 H HN 0.654 nan 8.280 nan 0.000 0.506 559 N N 3.185 121.679 118.700 -0.343 0.000 2.569 559 N HA 0.037 4.777 4.740 -0.001 0.000 0.254 559 N C 0.250 175.438 175.510 -0.537 0.000 1.004 559 N CA -0.329 52.512 53.050 -0.347 0.000 0.904 559 N CB 1.579 39.966 38.487 -0.166 0.000 1.165 559 N HN 0.646 nan 8.380 nan 0.000 0.513 560 T N 2.810 117.048 114.554 -0.528 0.000 3.035 560 T HA 0.147 4.497 4.350 -0.001 0.000 0.268 560 T C 0.712 175.373 174.700 -0.066 0.000 1.109 560 T CA 0.483 62.451 62.100 -0.221 0.000 1.119 560 T CB -0.242 68.641 68.868 0.026 0.000 0.900 560 T HN 0.424 nan 8.240 nan 0.000 0.503 561 L N 2.952 124.086 121.223 -0.148 0.000 2.426 561 L HA 0.272 4.611 4.340 -0.001 0.000 0.271 561 L C -1.565 175.180 176.870 -0.209 0.000 1.169 561 L CA -1.698 53.025 54.840 -0.194 0.000 0.836 561 L CB 0.542 42.344 42.059 -0.428 0.000 1.112 561 L HN -0.009 nan 8.230 nan 0.000 0.465 562 P HA 0.043 nan 4.420 nan 0.000 0.243 562 P C -0.897 176.445 177.300 0.071 0.000 1.668 562 P CA 0.348 63.455 63.100 0.011 0.000 0.898 562 P CB -0.326 31.430 31.700 0.094 0.000 1.637 563 H N -3.292 115.799 119.070 0.034 0.000 3.016 563 H HA 0.236 4.792 4.556 -0.001 0.000 0.362 563 H C -1.042 174.313 175.328 0.044 0.000 1.233 563 H CA -1.054 55.036 56.048 0.070 0.000 1.124 563 H CB -0.056 29.782 29.762 0.126 0.000 1.850 563 H HN -0.122 nan 8.280 nan 0.000 0.549 564 W N 1.666 123.089 121.300 0.205 0.000 2.231 564 W HA 0.239 4.898 4.660 -0.001 0.000 0.341 564 W C 0.894 177.523 176.519 0.183 0.000 1.298 564 W CA 0.490 57.914 57.345 0.131 0.000 1.266 564 W CB 0.494 30.018 29.460 0.107 0.000 1.172 564 W HN 0.541 nan 8.180 nan 0.000 0.568 565 R N 2.294 123.002 120.500 0.346 0.000 2.604 565 R HA 0.307 4.646 4.340 -0.001 0.000 0.281 565 R C -1.148 175.285 176.300 0.222 0.000 1.020 565 R CA -0.649 55.607 56.100 0.260 0.000 0.899 565 R CB 1.442 31.813 30.300 0.119 0.000 1.205 565 R HN 0.507 nan 8.270 nan 0.000 0.450 566 E N 2.384 122.692 120.200 0.181 0.000 2.207 566 E HA 0.287 4.637 4.350 -0.001 0.000 0.270 566 E C -1.300 175.347 176.600 0.078 0.000 0.927 566 E CA -0.847 55.636 56.400 0.138 0.000 0.799 566 E CB 2.455 32.230 29.700 0.126 0.000 1.172 566 E HN 0.422 nan 8.360 nan 0.000 0.404 567 Q N 2.664 122.486 119.800 0.037 0.000 2.438 567 Q HA 0.248 4.588 4.340 -0.001 0.000 0.272 567 Q C -1.650 174.306 176.000 -0.073 0.000 0.994 567 Q CA -0.563 55.232 55.803 -0.013 0.000 0.887 567 Q CB 1.414 30.134 28.738 -0.029 0.000 1.432 567 Q HN 0.547 nan 8.270 nan 0.000 0.392 568 L N 2.906 124.079 121.223 -0.083 0.000 2.397 568 L HA 0.486 4.825 4.340 -0.001 0.000 0.271 568 L C 0.189 176.918 176.870 -0.234 0.000 1.148 568 L CA -0.520 54.232 54.840 -0.147 0.000 0.825 568 L CB 0.874 42.884 42.059 -0.081 0.000 1.117 568 L HN 0.496 nan 8.230 nan 0.000 0.456 569 V N -0.809 118.860 119.914 -0.408 0.000 2.823 569 V HA 0.693 4.812 4.120 -0.001 0.000 0.312 569 V C -1.005 174.801 176.094 -0.481 0.000 1.072 569 V CA -0.830 61.184 62.300 -0.477 0.000 0.937 569 V CB 2.144 33.633 31.823 -0.558 0.000 1.013 569 V HN 0.814 nan 8.190 nan 0.000 0.430 570 D N 1.630 121.741 120.400 -0.482 0.000 2.601 570 D HA 0.650 5.289 4.640 -0.001 0.000 0.230 570 D C -1.422 174.553 176.300 -0.541 0.000 1.106 570 D CA -0.418 53.411 54.000 -0.285 0.000 0.873 570 D CB 2.559 43.300 40.800 -0.098 0.000 1.515 570 D HN 0.451 nan 8.370 nan 0.000 0.468 571 F N -0.318 119.684 119.950 0.087 0.000 2.599 571 F HA 0.340 4.866 4.527 -0.001 0.000 0.311 571 F C -0.612 175.333 175.800 0.243 0.000 1.076 571 F CA -1.035 57.026 58.000 0.102 0.000 0.937 571 F CB 1.540 40.645 39.000 0.176 0.000 1.282 571 F HN 0.161 nan 8.300 nan 0.000 0.460 572 Y N 1.930 122.388 120.300 0.264 0.000 2.304 572 Y HA 0.587 5.136 4.550 -0.001 0.000 0.328 572 Y C 0.199 176.224 175.900 0.209 0.000 1.123 572 Y CA -1.484 56.720 58.100 0.175 0.000 1.218 572 Y CB 1.037 39.554 38.460 0.095 0.000 1.207 572 Y HN 0.350 nan 8.280 nan 0.000 0.495 573 V N -0.584 119.535 119.914 0.342 0.000 3.040 573 V HA 0.550 4.670 4.120 -0.001 0.000 0.312 573 V C 0.323 176.561 176.094 0.239 0.000 1.115 573 V CA -0.777 61.684 62.300 0.269 0.000 0.998 573 V CB 1.662 33.638 31.823 0.255 0.000 1.042 573 V HN 0.672 nan 8.190 nan 0.000 0.433 574 S N 0.084 115.903 115.700 0.197 0.000 2.650 574 S HA 0.287 4.756 4.470 -0.001 0.000 0.219 574 S C 0.613 175.351 174.600 0.231 0.000 0.960 574 S CA 0.471 58.779 58.200 0.180 0.000 0.925 574 S CB -0.355 62.919 63.200 0.124 0.000 0.775 574 S HN 1.579 nan 8.310 nan 0.000 0.525 575 S N 1.100 116.932 115.700 0.221 0.000 2.537 575 S HA 0.543 5.013 4.470 -0.001 0.000 0.270 575 S C -2.680 171.816 174.600 -0.174 0.000 1.142 575 S CA -1.194 57.010 58.200 0.006 0.000 0.870 575 S CB 1.944 65.156 63.200 0.019 0.000 1.112 575 S HN 0.017 nan 8.310 nan 0.000 0.466 576 P HA 0.188 nan 4.420 nan 0.000 0.240 576 P C 0.000 177.176 177.300 -0.206 0.000 1.190 576 P CA 0.290 63.047 63.100 -0.571 0.000 0.781 576 P CB -0.142 30.938 31.700 -1.032 0.000 0.931 577 F N 0.998 120.956 119.950 0.014 0.000 2.541 577 F HA 0.259 4.785 4.527 -0.001 0.000 0.351 577 F C 0.356 176.201 175.800 0.074 0.000 1.209 577 F CA -0.770 57.269 58.000 0.065 0.000 1.277 577 F CB 0.393 39.395 39.000 0.004 0.000 1.632 577 F HN -0.329 nan 8.300 nan 0.000 0.619 578 V N 1.227 121.285 119.914 0.240 0.000 2.709 578 V HA 0.518 4.638 4.120 -0.001 0.000 0.308 578 V C -0.424 175.741 176.094 0.119 0.000 1.062 578 V CA -0.779 61.615 62.300 0.157 0.000 0.901 578 V CB 2.382 34.288 31.823 0.139 0.000 1.003 578 V HN 0.512 nan 8.190 nan 0.000 0.425 579 S N 2.885 118.634 115.700 0.081 0.000 2.599 579 S HA 0.894 5.364 4.470 -0.001 0.000 0.294 579 S C -0.931 173.653 174.600 -0.027 0.000 1.094 579 S CA -0.824 57.404 58.200 0.047 0.000 0.931 579 S CB 2.063 65.309 63.200 0.078 0.000 1.093 579 S HN 0.440 nan 8.310 nan 0.000 0.488 580 V N 1.777 121.633 119.914 -0.096 0.000 2.667 580 V HA 0.848 4.967 4.120 -0.001 0.000 0.308 580 V C 0.182 176.182 176.094 -0.157 0.000 1.048 580 V CA -0.460 61.703 62.300 -0.228 0.000 0.928 580 V CB 1.622 33.096 31.823 -0.582 0.000 1.004 580 V HN 1.214 nan 8.190 nan 0.000 0.444 581 T N -0.753 113.727 114.554 -0.124 0.000 2.896 581 T HA 0.639 4.989 4.350 -0.001 0.000 0.297 581 T C -0.890 173.783 174.700 -0.044 0.000 1.108 581 T CA -0.914 61.137 62.100 -0.083 0.000 1.004 581 T CB 2.064 70.879 68.868 -0.090 0.000 1.159 581 T HN 0.719 nan 8.240 nan 0.000 0.499 582 D N 0.733 121.083 120.400 -0.083 0.000 2.478 582 D HA 0.275 4.914 4.640 -0.001 0.000 0.274 582 D C 1.021 177.182 176.300 -0.231 0.000 1.234 582 D CA -1.124 52.720 54.000 -0.260 0.000 1.069 582 D CB 0.197 40.836 40.800 -0.268 0.000 1.113 582 D HN 0.313 nan 8.370 nan 0.000 0.571 583 L N -0.725 120.344 121.223 -0.257 0.000 2.552 583 L HA 0.243 4.583 4.340 -0.001 0.000 0.227 583 L C 1.848 178.636 176.870 -0.137 0.000 1.146 583 L CA 0.862 55.589 54.840 -0.189 0.000 0.858 583 L CB -0.944 41.008 42.059 -0.178 0.000 0.969 583 L HN 0.630 nan 8.230 nan 0.000 0.451 584 A N -1.370 121.376 122.820 -0.124 0.000 2.307 584 A HA 0.093 4.413 4.320 -0.001 0.000 0.218 584 A C 1.104 178.638 177.584 -0.082 0.000 1.228 584 A CA 0.152 52.135 52.037 -0.091 0.000 0.857 584 A CB -0.454 18.499 19.000 -0.079 0.000 0.897 584 A HN 0.525 nan 8.150 nan 0.000 0.495 585 N N -0.003 118.641 118.700 -0.094 0.000 2.782 585 N HA -0.128 4.611 4.740 -0.001 0.000 0.251 585 N C -1.028 174.436 175.510 -0.078 0.000 1.101 585 N CA 0.608 53.610 53.050 -0.081 0.000 0.764 585 N CB -1.139 37.311 38.487 -0.062 0.000 1.122 585 N HN 0.592 nan 8.380 nan 0.000 0.561 586 N N 1.377 120.027 118.700 -0.083 0.000 2.520 586 N HA 0.275 5.015 4.740 -0.001 0.000 0.273 586 N C -2.421 173.018 175.510 -0.118 0.000 1.155 586 N CA -0.675 52.321 53.050 -0.089 0.000 0.967 586 N CB 0.589 39.033 38.487 -0.071 0.000 1.092 586 N HN 0.105 nan 8.380 nan 0.000 0.457 587 P HA 0.111 nan 4.420 nan 0.000 0.271 587 P C -0.547 176.608 177.300 -0.242 0.000 1.218 587 P CA -0.127 62.783 63.100 -0.316 0.000 0.780 587 P CB 0.754 31.979 31.700 -0.792 0.000 0.901 588 V N 2.563 122.380 119.914 -0.162 0.000 2.487 588 V HA 0.201 4.320 4.120 -0.001 0.000 0.298 588 V C 0.360 176.441 176.094 -0.022 0.000 1.028 588 V CA -0.762 61.502 62.300 -0.060 0.000 0.860 588 V CB 1.484 33.283 31.823 -0.040 0.000 0.991 588 V HN 0.528 nan 8.190 nan 0.000 0.427 589 E N 2.671 122.900 120.200 0.047 0.000 2.415 589 E HA 0.443 4.792 4.350 -0.001 0.000 0.263 589 E C -0.184 176.485 176.600 0.116 0.000 0.995 589 E CA 0.132 56.596 56.400 0.106 0.000 0.915 589 E CB 1.022 30.789 29.700 0.111 0.000 0.951 589 E HN 0.859 nan 8.360 nan 0.000 0.449 590 A N 4.188 127.067 122.820 0.098 0.000 2.485 590 A HA 0.466 4.785 4.320 -0.001 0.000 0.292 590 A C -1.190 176.415 177.584 0.034 0.000 1.147 590 A CA -0.669 51.435 52.037 0.112 0.000 0.750 590 A CB 1.979 21.039 19.000 0.100 0.000 1.331 590 A HN 0.636 nan 8.150 nan 0.000 0.419 591 Q N 0.527 120.352 119.800 0.041 0.000 2.347 591 Q HA 0.650 4.989 4.340 -0.001 0.000 0.271 591 Q C -2.072 173.912 176.000 -0.026 0.000 1.064 591 Q CA -0.554 55.228 55.803 -0.036 0.000 0.800 591 Q CB 2.267 31.024 28.738 0.031 0.000 1.304 591 Q HN 0.582 nan 8.270 nan 0.000 0.438 592 V N 2.445 122.267 119.914 -0.152 0.000 2.513 592 V HA 0.619 4.738 4.120 -0.001 0.000 0.299 592 V C -0.581 175.683 176.094 0.283 0.000 1.035 592 V CA -0.317 62.007 62.300 0.039 0.000 0.889 592 V CB 1.885 33.676 31.823 -0.053 0.000 0.988 592 V HN 0.851 nan 8.190 nan 0.000 0.440 593 S N 4.859 120.769 115.700 0.351 0.000 2.632 593 S HA 0.692 5.161 4.470 -0.001 0.000 0.289 593 S C -2.779 171.894 174.600 0.122 0.000 1.115 593 S CA -1.129 57.262 58.200 0.318 0.000 0.889 593 S CB 2.497 65.825 63.200 0.212 0.000 1.116 593 S HN 0.522 nan 8.310 nan 0.000 0.486 594 P HA 0.296 nan 4.420 nan 0.000 0.275 594 P C -1.186 175.764 177.300 -0.583 0.000 1.266 594 P CA -0.523 62.171 63.100 -0.677 0.000 0.793 594 P CB 0.422 31.317 31.700 -1.342 0.000 1.074 595 V N 1.427 120.909 119.914 -0.721 0.000 2.333 595 V HA 0.217 4.337 4.120 -0.001 0.000 0.274 595 V C -0.717 175.033 176.094 -0.574 0.000 1.028 595 V CA -0.204 61.770 62.300 -0.544 0.000 0.851 595 V CB -0.218 31.198 31.823 -0.679 0.000 1.000 595 V HN 0.513 nan 8.190 nan 0.000 0.456 596 W N 3.643 124.833 121.300 -0.184 0.000 2.391 596 W HA 0.623 5.283 4.660 -0.001 0.000 0.311 596 W C 0.396 176.803 176.519 -0.188 0.000 1.087 596 W CA -0.389 56.824 57.345 -0.220 0.000 1.209 596 W CB 1.862 31.199 29.460 -0.206 0.000 1.273 596 W HN 0.563 nan 8.180 nan 0.000 0.482 597 S N 1.513 117.189 115.700 -0.041 0.000 2.513 597 S HA 0.580 5.049 4.470 -0.001 0.000 0.299 597 S C -1.356 172.949 174.600 -0.491 0.000 1.087 597 S CA -0.969 57.146 58.200 -0.142 0.000 1.012 597 S CB 1.164 64.285 63.200 -0.132 0.000 1.044 597 S HN 0.399 nan 8.310 nan 0.000 0.485 598 W N 1.705 122.739 121.300 -0.443 0.000 2.438 598 W HA 0.526 5.185 4.660 -0.001 0.000 0.324 598 W C 0.265 176.400 176.519 -0.640 0.000 1.119 598 W CA -0.112 56.958 57.345 -0.458 0.000 1.221 598 W CB 0.791 30.120 29.460 -0.219 0.000 1.253 598 W HN 0.624 nan 8.180 nan 0.000 0.555 599 H N 1.076 120.184 119.070 0.063 0.000 2.667 599 H HA 0.117 4.673 4.556 -0.001 0.000 0.353 599 H C -1.043 174.379 175.328 0.156 0.000 1.072 599 H CA -1.042 55.034 56.048 0.047 0.000 1.214 599 H CB 1.436 31.142 29.762 -0.092 0.000 1.600 599 H HN 0.582 nan 8.280 nan 0.000 0.527 600 H N 2.880 122.071 119.070 0.203 0.000 3.004 600 H HA -0.000 4.556 4.556 -0.001 0.000 0.267 600 H C -0.246 175.190 175.328 0.179 0.000 1.165 600 H CA -0.520 55.632 56.048 0.173 0.000 1.450 600 H CB 0.396 30.225 29.762 0.111 0.000 1.488 600 H HN 0.440 nan 8.280 nan 0.000 0.478 601 D N 4.181 124.884 120.400 0.505 0.000 2.348 601 D HA -0.074 4.566 4.640 -0.001 0.000 0.259 601 D C 1.121 177.590 176.300 0.282 0.000 1.296 601 D CA 0.273 54.497 54.000 0.373 0.000 0.931 601 D CB 1.174 42.227 40.800 0.422 0.000 1.067 601 D HN 0.670 nan 8.370 nan 0.000 0.503 602 T N 3.511 118.142 114.554 0.129 0.000 2.977 602 T HA -0.068 4.281 4.350 -0.001 0.000 0.271 602 T C 1.883 176.611 174.700 0.047 0.000 1.105 602 T CA 0.879 62.993 62.100 0.023 0.000 1.116 602 T CB 0.118 68.964 68.868 -0.037 0.000 0.878 602 T HN 0.414 nan 8.240 nan 0.000 0.509 603 L N 0.433 121.695 121.223 0.066 0.000 2.121 603 L HA 0.077 4.417 4.340 -0.001 0.000 0.200 603 L C 2.980 179.877 176.870 0.044 0.000 1.077 603 L CA 1.545 56.411 54.840 0.044 0.000 0.766 603 L CB -0.884 41.196 42.059 0.035 0.000 0.931 603 L HN 0.278 nan 8.230 nan 0.000 0.452 604 T N -4.093 110.490 114.554 0.048 0.000 3.085 604 T HA -0.016 4.334 4.350 -0.001 0.000 0.263 604 T C 0.775 175.503 174.700 0.047 0.000 1.127 604 T CA -0.073 62.038 62.100 0.018 0.000 1.103 604 T CB -0.012 68.829 68.868 -0.044 0.000 0.921 604 T HN 0.122 nan 8.240 nan 0.000 0.510 605 K N 1.944 122.409 120.400 0.109 0.000 3.117 605 K HA -0.126 4.194 4.320 -0.001 0.000 0.269 605 K C 0.195 176.867 176.600 0.120 0.000 1.098 605 K CA 1.268 57.652 56.287 0.163 0.000 0.785 605 K CB -2.752 29.814 32.500 0.110 0.000 1.242 605 K HN 0.884 nan 8.250 nan 0.000 0.491 606 T N -2.807 111.813 114.554 0.110 0.000 2.907 606 T HA 0.833 5.183 4.350 -0.001 0.000 0.290 606 T C 0.267 175.051 174.700 0.139 0.000 1.066 606 T CA -1.048 61.088 62.100 0.060 0.000 1.012 606 T CB 2.277 71.147 68.868 0.004 0.000 1.184 606 T HN 0.121 nan 8.240 nan 0.000 0.522 607 I N 2.426 123.081 120.570 0.142 0.000 2.411 607 I HA 0.498 4.667 4.170 -0.001 0.000 0.284 607 I C -0.405 175.990 176.117 0.463 0.000 1.012 607 I CA -0.737 60.705 61.300 0.238 0.000 1.119 607 I CB 0.951 38.984 38.000 0.054 0.000 1.261 607 I HN 0.943 nan 8.210 nan 0.000 0.448 608 H N 5.712 124.897 119.070 0.192 0.000 2.980 608 H HA 0.682 5.237 4.556 -0.001 0.000 0.367 608 H C -3.151 171.938 175.328 -0.399 0.000 1.206 608 H CA -2.319 53.691 56.048 -0.063 0.000 1.126 608 H CB 2.137 31.878 29.762 -0.035 0.000 1.838 608 H HN 0.158 nan 8.280 nan 0.000 0.552 609 P HA 0.190 nan 4.420 nan 0.000 0.290 609 P C -1.099 176.000 177.300 -0.334 0.000 1.275 609 P CA -0.708 61.776 63.100 -1.027 0.000 0.841 609 P CB 2.034 32.773 31.700 -1.603 0.000 1.042 610 Q N 0.818 120.541 119.800 -0.129 0.000 2.353 610 Q HA 0.541 4.880 4.340 -0.001 0.000 0.268 610 Q C 0.167 176.198 176.000 0.051 0.000 1.045 610 Q CA -0.561 55.288 55.803 0.077 0.000 0.811 610 Q CB 2.745 31.555 28.738 0.119 0.000 1.305 610 Q HN 0.596 nan 8.270 nan 0.000 0.447 611 G N 0.782 109.501 108.800 -0.134 0.000 2.367 611 G HA2 0.320 4.280 3.960 -0.001 0.000 0.314 611 G HA3 0.320 4.280 3.960 -0.001 0.000 0.314 611 G C -0.247 174.370 174.900 -0.471 0.000 1.130 611 G CA -0.307 44.362 45.100 -0.718 0.000 0.864 611 G HN 0.432 nan 8.290 nan 0.000 0.486 612 S N -0.398 114.963 115.700 -0.565 0.000 2.576 612 S HA 0.323 4.792 4.470 -0.001 0.000 0.276 612 S C 1.527 175.845 174.600 -0.470 0.000 1.339 612 S CA 0.284 58.206 58.200 -0.463 0.000 1.039 612 S CB 0.853 63.725 63.200 -0.547 0.000 0.902 612 S HN 0.898 nan 8.310 nan 0.000 0.516 613 T N -0.208 114.162 114.554 -0.306 0.000 3.054 613 T HA 0.140 4.490 4.350 -0.001 0.000 0.255 613 T C 1.168 175.784 174.700 -0.140 0.000 1.035 613 T CA 0.472 62.463 62.100 -0.181 0.000 0.941 613 T CB -0.209 68.614 68.868 -0.075 0.000 1.026 613 T HN 0.704 nan 8.240 nan 0.000 0.533 614 T N -1.818 112.576 114.554 -0.268 0.000 2.975 614 T HA 0.422 4.771 4.350 -0.001 0.000 0.261 614 T C 0.253 174.789 174.700 -0.273 0.000 0.984 614 T CA -0.436 61.568 62.100 -0.161 0.000 0.911 614 T CB 0.279 69.087 68.868 -0.100 0.000 1.127 614 T HN 0.222 nan 8.240 nan 0.000 0.514 615 K N 0.506 120.520 120.400 -0.643 0.000 2.371 615 K HA 0.669 4.989 4.320 -0.001 0.000 0.251 615 K C -1.893 174.055 176.600 -1.087 0.000 0.934 615 K CA -0.803 55.131 56.287 -0.589 0.000 0.798 615 K CB 2.203 34.392 32.500 -0.519 0.000 1.204 615 K HN 0.136 nan 8.250 nan 0.000 0.427 616 Y N 0.021 120.239 120.300 -0.137 0.000 2.581 616 Y HA 0.447 4.996 4.550 -0.001 0.000 0.345 616 Y C -0.258 175.656 175.900 0.023 0.000 1.036 616 Y CA -1.130 56.922 58.100 -0.080 0.000 1.042 616 Y CB 1.843 40.325 38.460 0.038 0.000 1.289 616 Y HN 0.224 nan 8.280 nan 0.000 0.471 617 R N 1.875 122.503 120.500 0.213 0.000 2.294 617 R HA 0.576 4.915 4.340 -0.001 0.000 0.319 617 R C -1.235 175.233 176.300 0.280 0.000 0.984 617 R CA -0.642 55.629 56.100 0.285 0.000 0.861 617 R CB 1.650 32.093 30.300 0.239 0.000 1.104 617 R HN 0.647 nan 8.270 nan 0.000 0.451 618 I N 4.251 125.009 120.570 0.313 0.000 2.441 618 I HA 0.441 4.611 4.170 -0.001 0.000 0.295 618 I C -1.050 175.248 176.117 0.302 0.000 0.994 618 I CA -0.816 60.658 61.300 0.290 0.000 1.144 618 I CB 1.096 39.283 38.000 0.311 0.000 1.314 618 I HN 0.545 nan 8.210 nan 0.000 0.445 619 I N 8.018 128.736 120.570 0.246 0.000 2.545 619 I HA 0.529 4.699 4.170 -0.001 0.000 0.292 619 I C -1.021 175.252 176.117 0.259 0.000 1.040 619 I CA -0.543 60.855 61.300 0.164 0.000 1.068 619 I CB 1.744 39.798 38.000 0.090 0.000 1.251 619 I HN 0.526 nan 8.210 nan 0.000 0.424 620 F N 2.657 122.629 119.950 0.037 0.000 2.713 620 F HA 0.547 5.074 4.527 -0.001 0.000 0.311 620 F C -1.099 174.682 175.800 -0.033 0.000 1.141 620 F CA -1.284 56.717 58.000 0.001 0.000 0.939 620 F CB 1.317 40.307 39.000 -0.017 0.000 1.325 620 F HN 0.245 nan 8.300 nan 0.000 0.453 621 K N 2.127 122.621 120.400 0.157 0.000 2.316 621 K HA 0.731 5.051 4.320 -0.001 0.000 0.289 621 K C -0.637 176.012 176.600 0.081 0.000 1.070 621 K CA -0.274 56.042 56.287 0.049 0.000 0.928 621 K CB 0.813 33.372 32.500 0.098 0.000 1.039 621 K HN 0.941 nan 8.250 nan 0.000 0.480 622 A N 4.590 127.366 122.820 -0.075 0.000 2.303 622 A HA 0.459 4.778 4.320 -0.001 0.000 0.317 622 A C -0.703 177.011 177.584 0.216 0.000 1.149 622 A CA -0.737 51.318 52.037 0.031 0.000 0.822 622 A CB 0.761 19.736 19.000 -0.042 0.000 1.131 622 A HN 0.888 nan 8.150 nan 0.000 0.493 623 R N 1.618 122.360 120.500 0.403 0.000 2.476 623 R HA 0.620 4.960 4.340 -0.001 0.000 0.305 623 R C -2.008 174.548 176.300 0.428 0.000 0.965 623 R CA -0.260 56.064 56.100 0.373 0.000 0.867 623 R CB 1.514 32.015 30.300 0.335 0.000 1.176 623 R HN 0.502 nan 8.270 nan 0.000 0.447 624 V N 5.848 125.972 119.914 0.351 0.000 2.709 624 V HA 0.467 4.586 4.120 -0.001 0.000 0.308 624 V C -2.290 173.683 176.094 -0.202 0.000 1.062 624 V CA -2.317 60.076 62.300 0.156 0.000 0.901 624 V CB 1.934 33.821 31.823 0.107 0.000 1.003 624 V HN 0.794 nan 8.190 nan 0.000 0.425 625 P HA 0.207 nan 4.420 nan 0.000 0.271 625 P C -2.740 174.074 177.300 -0.810 0.000 1.233 625 P CA -1.254 60.956 63.100 -1.484 0.000 0.789 625 P CB -0.261 30.768 31.700 -1.118 0.000 0.951 626 P HA 0.088 nan 4.420 nan 0.000 0.268 626 P C 0.163 177.414 177.300 -0.082 0.000 1.204 626 P CA 0.525 63.433 63.100 -0.320 0.000 0.768 626 P CB -0.191 31.395 31.700 -0.190 0.000 0.842 627 M N 0.214 119.819 119.600 0.007 0.000 2.210 627 M HA -0.222 4.258 4.480 -0.001 0.000 0.198 627 M C 0.588 177.091 176.300 0.338 0.000 0.319 627 M CA 0.953 56.400 55.300 0.245 0.000 0.399 627 M CB -2.038 30.790 32.600 0.379 0.000 1.227 627 M HN 0.597 nan 8.290 nan 0.000 0.931 628 G N -0.207 108.646 108.800 0.088 0.000 3.086 628 G HA2 0.931 4.890 3.960 -0.001 0.000 0.282 628 G HA3 0.931 4.890 3.960 -0.001 0.000 0.282 628 G C -1.346 173.670 174.900 0.193 0.000 1.343 628 G CA -0.973 44.127 45.100 0.001 0.000 0.895 628 G HN 0.191 nan 8.290 nan 0.000 0.557 629 L N -0.519 120.787 121.223 0.138 0.000 2.388 629 L HA 0.801 5.140 4.340 -0.001 0.000 0.264 629 L C -0.293 176.659 176.870 0.136 0.000 0.998 629 L CA -1.034 53.928 54.840 0.204 0.000 0.817 629 L CB 2.522 44.715 42.059 0.224 0.000 1.338 629 L HN 0.760 nan 8.230 nan 0.000 0.414 630 A N 0.768 123.712 122.820 0.207 0.000 2.408 630 A HA 0.778 5.098 4.320 -0.001 0.000 0.295 630 A C -0.750 176.966 177.584 0.221 0.000 1.040 630 A CA -0.442 51.697 52.037 0.171 0.000 0.707 630 A CB 1.592 20.751 19.000 0.266 0.000 1.235 630 A HN 0.558 nan 8.150 nan 0.000 0.418 631 T N 2.281 116.864 114.554 0.047 0.000 2.837 631 T HA 0.640 4.990 4.350 -0.001 0.000 0.285 631 T C -0.963 173.620 174.700 -0.195 0.000 0.984 631 T CA 0.299 62.472 62.100 0.122 0.000 1.049 631 T CB 0.313 69.255 68.868 0.124 0.000 0.947 631 T HN 0.445 nan 8.240 nan 0.000 0.472 632 Y N 0.288 120.675 120.300 0.145 0.000 2.634 632 Y HA 0.677 5.227 4.550 -0.001 0.000 0.340 632 Y C -0.357 175.474 175.900 -0.114 0.000 1.058 632 Y CA -1.160 56.941 58.100 0.002 0.000 1.081 632 Y CB 1.742 40.223 38.460 0.035 0.000 1.295 632 Y HN 0.307 nan 8.280 nan 0.000 0.487 633 V N 2.980 122.859 119.914 -0.059 0.000 2.638 633 V HA 0.441 4.561 4.120 -0.001 0.000 0.306 633 V C -0.890 175.150 176.094 -0.090 0.000 1.052 633 V CA -0.942 61.263 62.300 -0.158 0.000 0.885 633 V CB 1.853 33.508 31.823 -0.281 0.000 0.999 633 V HN 0.495 nan 8.190 nan 0.000 0.424 634 L N 3.904 125.104 121.223 -0.039 0.000 2.296 634 L HA 0.703 5.042 4.340 -0.001 0.000 0.286 634 L C -0.136 176.753 176.870 0.031 0.000 1.023 634 L CA -0.158 54.672 54.840 -0.017 0.000 0.812 634 L CB 1.944 44.008 42.059 0.008 0.000 1.223 634 L HN 0.608 nan 8.230 nan 0.000 0.421 635 T N 3.635 118.210 114.554 0.035 0.000 2.861 635 T HA 0.479 4.828 4.350 -0.001 0.000 0.287 635 T C -0.274 174.475 174.700 0.081 0.000 1.003 635 T CA -0.390 61.744 62.100 0.057 0.000 0.977 635 T CB 2.453 71.344 68.868 0.038 0.000 0.996 635 T HN 0.395 nan 8.240 nan 0.000 0.448 636 I N 2.826 123.453 120.570 0.095 0.000 2.612 636 I HA 0.604 4.773 4.170 -0.001 0.000 0.295 636 I C 0.102 176.283 176.117 0.107 0.000 1.011 636 I CA -0.025 61.348 61.300 0.120 0.000 1.326 636 I CB 0.904 38.978 38.000 0.124 0.000 1.427 636 I HN 0.832 nan 8.210 nan 0.000 0.537 637 S N 2.304 118.083 115.700 0.130 0.000 2.661 637 S HA 0.339 4.808 4.470 -0.001 0.000 0.285 637 S C -0.254 174.371 174.600 0.042 0.000 1.138 637 S CA -0.424 57.814 58.200 0.063 0.000 0.855 637 S CB 1.561 64.777 63.200 0.028 0.000 1.136 637 S HN 0.742 nan 8.310 nan 0.000 0.484 638 D N -0.155 120.215 120.400 -0.049 0.000 2.340 638 D HA 0.213 4.853 4.640 -0.001 0.000 0.220 638 D C 0.723 176.769 176.300 -0.424 0.000 1.039 638 D CA 0.329 54.271 54.000 -0.097 0.000 0.866 638 D CB 0.069 40.837 40.800 -0.054 0.000 0.913 638 D HN 0.637 nan 8.370 nan 0.000 0.523 639 S N -1.603 113.737 115.700 -0.600 0.000 2.705 639 S HA 0.364 4.833 4.470 -0.001 0.000 0.280 639 S C -0.732 173.392 174.600 -0.795 0.000 1.174 639 S CA -1.308 56.267 58.200 -1.043 0.000 0.823 639 S CB 0.994 63.879 63.200 -0.525 0.000 1.162 639 S HN -0.038 nan 8.310 nan 0.000 0.487 640 K N 1.926 121.970 120.400 -0.594 0.000 2.437 640 K HA 0.190 4.509 4.320 -0.001 0.000 0.277 640 K C -2.406 174.206 176.600 0.021 0.000 1.073 640 K CA -0.610 55.648 56.287 -0.050 0.000 1.105 640 K CB -0.453 32.061 32.500 0.024 0.000 0.881 640 K HN 0.383 nan 8.250 nan 0.000 0.475 641 P HA -0.019 nan 4.420 nan 0.000 0.271 641 P C 0.483 177.805 177.300 0.036 0.000 1.218 641 P CA -0.261 62.887 63.100 0.081 0.000 0.780 641 P CB 0.759 32.535 31.700 0.128 0.000 0.901 642 E N 1.359 121.536 120.200 -0.037 0.000 2.110 642 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 642 E C 0.488 176.901 176.600 -0.311 0.000 0.988 642 E CA 1.135 57.419 56.400 -0.194 0.000 0.804 642 E CB -0.029 29.487 29.700 -0.306 0.000 0.745 642 E HN 0.507 nan 8.360 nan 0.000 0.458 643 H N -0.554 118.530 119.070 0.023 0.000 2.505 643 H HA 0.218 4.773 4.556 -0.001 0.000 0.289 643 H C -0.408 174.920 175.328 0.001 0.000 1.052 643 H CA 0.191 56.247 56.048 0.014 0.000 1.156 643 H CB 0.667 30.434 29.762 0.008 0.000 1.507 643 H HN -0.047 nan 8.280 nan 0.000 0.548 644 T N 1.452 116.038 114.554 0.052 0.000 2.824 644 T HA 0.326 4.676 4.350 -0.001 0.000 0.282 644 T C 0.274 174.887 174.700 -0.145 0.000 0.993 644 T CA -0.711 61.357 62.100 -0.052 0.000 0.967 644 T CB 2.181 71.016 68.868 -0.056 0.000 0.960 644 T HN 0.276 nan 8.240 nan 0.000 0.441 645 S N 2.190 117.750 115.700 -0.233 0.000 2.704 645 S HA 0.799 5.269 4.470 -0.001 0.000 0.305 645 S C -1.454 172.826 174.600 -0.533 0.000 1.107 645 S CA -0.829 57.261 58.200 -0.185 0.000 0.993 645 S CB 0.916 64.099 63.200 -0.028 0.000 1.110 645 S HN 0.564 nan 8.310 nan 0.000 0.534 646 Y N -0.014 120.286 120.300 -0.000 0.000 2.409 646 Y HA 0.670 5.219 4.550 -0.001 0.000 0.343 646 Y C 0.589 176.534 175.900 0.075 0.000 0.973 646 Y CA -0.769 57.312 58.100 -0.031 0.000 1.064 646 Y CB 1.686 39.978 38.460 -0.280 0.000 1.207 646 Y HN 1.042 nan 8.280 nan 0.000 0.452 647 A N 1.862 124.860 122.820 0.295 0.000 2.386 647 A HA 0.539 4.859 4.320 -0.001 0.000 0.248 647 A C 0.207 177.988 177.584 0.329 0.000 1.082 647 A CA -0.307 51.897 52.037 0.277 0.000 0.789 647 A CB -0.030 19.132 19.000 0.269 0.000 1.025 647 A HN 0.764 nan 8.150 nan 0.000 0.490 648 S N 1.644 117.474 115.700 0.215 0.000 2.646 648 S HA 0.580 5.050 4.470 -0.001 0.000 0.276 648 S C -0.405 174.291 174.600 0.159 0.000 1.222 648 S CA -0.909 57.403 58.200 0.188 0.000 1.014 648 S CB 0.864 64.130 63.200 0.110 0.000 0.991 648 S HN 0.691 nan 8.310 nan 0.000 0.533 649 N N 0.419 119.191 118.700 0.119 0.000 2.260 649 N HA 0.498 5.237 4.740 -0.001 0.000 0.293 649 N C -2.013 173.435 175.510 -0.103 0.000 1.058 649 N CA -0.538 52.533 53.050 0.035 0.000 0.824 649 N CB 2.078 40.660 38.487 0.160 0.000 1.551 649 N HN 0.588 nan 8.380 nan 0.000 0.475 650 L N 2.546 123.659 121.223 -0.183 0.000 2.404 650 L HA 0.467 4.806 4.340 -0.001 0.000 0.272 650 L C -1.469 175.227 176.870 -0.290 0.000 0.980 650 L CA -0.501 54.200 54.840 -0.232 0.000 0.836 650 L CB 1.430 43.412 42.059 -0.129 0.000 1.238 650 L HN 0.445 nan 8.230 nan 0.000 0.408 651 L N 6.618 127.606 121.223 -0.393 0.000 2.257 651 L HA 0.447 4.787 4.340 -0.001 0.000 0.290 651 L C -1.184 175.635 176.870 -0.084 0.000 1.044 651 L CA -0.382 54.288 54.840 -0.283 0.000 0.810 651 L CB 1.072 42.947 42.059 -0.306 0.000 1.193 651 L HN 0.685 nan 8.230 nan 0.000 0.425 652 L N 6.918 128.116 121.223 -0.041 0.000 2.265 652 L HA 0.561 4.900 4.340 -0.001 0.000 0.289 652 L C -0.284 176.616 176.870 0.050 0.000 1.033 652 L CA -0.530 54.321 54.840 0.019 0.000 0.814 652 L CB 1.173 43.236 42.059 0.007 0.000 1.203 652 L HN 0.677 nan 8.230 nan 0.000 0.423 653 R N 1.895 122.439 120.500 0.074 0.000 2.828 653 R HA 0.436 4.775 4.340 -0.001 0.000 0.280 653 R C -1.791 174.545 176.300 0.059 0.000 1.020 653 R CA -1.047 55.092 56.100 0.065 0.000 0.855 653 R CB 1.125 31.465 30.300 0.068 0.000 1.278 653 R HN 0.194 nan 8.270 nan 0.000 0.495 654 K N 1.196 121.618 120.400 0.037 0.000 2.144 654 K HA 0.277 4.596 4.320 -0.001 0.000 0.270 654 K C -0.479 176.124 176.600 0.005 0.000 1.005 654 K CA -0.506 55.795 56.287 0.023 0.000 0.932 654 K CB 0.757 33.268 32.500 0.018 0.000 1.021 654 K HN 0.791 nan 8.250 nan 0.000 0.462 655 N N 1.254 119.948 118.700 -0.010 0.000 2.753 655 N HA -0.102 4.637 4.740 -0.001 0.000 0.252 655 N C -2.719 172.758 175.510 -0.055 0.000 1.071 655 N CA 0.071 53.099 53.050 -0.037 0.000 0.690 655 N CB -0.604 37.862 38.487 -0.035 0.000 0.906 655 N HN 0.393 nan 8.380 nan 0.000 0.552 656 P HA 0.405 nan 4.420 nan 0.000 0.281 656 P C -0.438 176.720 177.300 -0.237 0.000 1.264 656 P CA -0.236 62.797 63.100 -0.110 0.000 0.824 656 P CB 1.234 32.881 31.700 -0.088 0.000 1.092 657 T N -2.849 111.577 114.554 -0.212 0.000 2.930 657 T HA 0.491 4.841 4.350 -0.001 0.000 0.290 657 T C 0.289 174.841 174.700 -0.247 0.000 1.052 657 T CA -0.730 61.247 62.100 -0.205 0.000 1.017 657 T CB 0.570 69.392 68.868 -0.075 0.000 1.137 657 T HN 0.473 nan 8.240 nan 0.000 0.511 658 S N 0.826 116.418 115.700 -0.180 0.000 2.576 658 S HA 0.408 4.877 4.470 -0.001 0.000 0.272 658 S C -0.189 174.527 174.600 0.194 0.000 1.352 658 S CA -0.781 57.409 58.200 -0.017 0.000 1.021 658 S CB -0.333 62.868 63.200 0.002 0.000 0.887 658 S HN 0.689 nan 8.310 nan 0.000 0.542 659 L N 2.328 123.759 121.223 0.347 0.000 2.490 659 L HA 0.384 4.724 4.340 -0.001 0.000 0.256 659 L C -2.341 174.645 176.870 0.193 0.000 1.089 659 L CA -1.554 53.459 54.840 0.288 0.000 0.916 659 L CB 1.721 44.026 42.059 0.411 0.000 1.188 659 L HN 0.588 nan 8.230 nan 0.000 0.476 660 P HA 0.205 nan 4.420 nan 0.000 0.275 660 P C -0.215 177.089 177.300 0.006 0.000 1.228 660 P CA -0.228 62.915 63.100 0.071 0.000 0.786 660 P CB 1.844 33.576 31.700 0.053 0.000 0.927 661 L N 1.467 122.705 121.223 0.025 0.000 3.255 661 L HA 0.289 4.629 4.340 -0.001 0.000 0.293 661 L C 1.454 178.399 176.870 0.125 0.000 1.302 661 L CA -0.253 54.578 54.840 -0.016 0.000 0.977 661 L CB 0.010 42.028 42.059 -0.068 0.000 1.390 661 L HN 0.716 nan 8.230 nan 0.000 0.588 662 G N 1.281 110.132 108.800 0.085 0.000 2.651 662 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.315 662 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.315 662 G C 0.562 175.527 174.900 0.108 0.000 1.258 662 G CA 0.799 45.969 45.100 0.117 0.000 1.002 662 G HN 0.530 nan 8.290 nan 0.000 0.551 663 Q N -0.493 119.350 119.800 0.072 0.000 2.482 663 Q HA 0.209 4.549 4.340 -0.001 0.000 0.209 663 Q C 0.780 176.623 176.000 -0.261 0.000 0.961 663 Q CA 0.214 55.948 55.803 -0.116 0.000 0.945 663 Q CB 0.250 28.834 28.738 -0.256 0.000 1.012 663 Q HN 0.508 nan 8.270 nan 0.000 0.515 664 Y N 4.363 124.497 120.300 -0.276 0.000 2.802 664 Y HA -0.054 4.495 4.550 -0.001 0.000 0.333 664 Y C -1.221 174.549 175.900 -0.218 0.000 1.244 664 Y CA -1.572 56.354 58.100 -0.290 0.000 1.558 664 Y CB 0.787 39.249 38.460 0.003 0.000 1.233 664 Y HN 0.065 nan 8.280 nan 0.000 0.547 665 P HA -0.144 nan 4.420 nan 0.000 0.234 665 P C -0.522 176.624 177.300 -0.257 0.000 1.167 665 P CA 0.984 63.812 63.100 -0.453 0.000 0.763 665 P CB 0.307 31.590 31.700 -0.696 0.000 0.835 666 E N 0.627 120.723 120.200 -0.173 0.000 2.199 666 E HA 0.252 4.602 4.350 -0.001 0.000 0.265 666 E C -0.950 175.790 176.600 0.233 0.000 0.882 666 E CA -0.869 55.567 56.400 0.060 0.000 0.759 666 E CB 0.834 30.596 29.700 0.104 0.000 1.148 666 E HN -0.219 nan 8.360 nan 0.000 0.412 667 D N 2.709 123.200 120.400 0.152 0.000 2.382 667 D HA 0.113 4.753 4.640 -0.001 0.000 0.245 667 D C -0.186 176.195 176.300 0.135 0.000 1.120 667 D CA -0.180 53.913 54.000 0.156 0.000 0.890 667 D CB 1.292 42.167 40.800 0.125 0.000 1.201 667 D HN 0.213 nan 8.370 nan 0.000 0.433 668 V N 3.089 123.071 119.914 0.113 0.000 2.655 668 V HA 0.012 4.132 4.120 -0.001 0.000 0.300 668 V C 0.920 176.890 176.094 -0.207 0.000 1.044 668 V CA 0.152 62.424 62.300 -0.046 0.000 1.095 668 V CB 0.442 32.219 31.823 -0.077 0.000 0.952 668 V HN 0.297 nan 8.190 nan 0.000 0.485 669 K N 3.493 123.701 120.400 -0.320 0.000 2.118 669 K HA 0.670 4.990 4.320 -0.001 0.000 0.254 669 K C -1.247 174.988 176.600 -0.607 0.000 0.961 669 K CA -0.385 55.752 56.287 -0.250 0.000 0.876 669 K CB 1.656 34.109 32.500 -0.079 0.000 1.077 669 K HN 0.413 nan 8.250 nan 0.000 0.440 670 F N -0.636 119.325 119.950 0.018 0.000 2.598 670 F HA 0.691 5.218 4.527 -0.001 0.000 0.327 670 F C 0.584 176.388 175.800 0.005 0.000 1.057 670 F CA -0.575 57.428 58.000 0.004 0.000 0.957 670 F CB 2.496 41.500 39.000 0.006 0.000 1.278 670 F HN 0.636 nan 8.300 nan 0.000 0.484 671 G N 0.118 109.026 108.800 0.180 0.000 2.523 671 G HA2 0.391 4.351 3.960 -0.001 0.000 0.291 671 G HA3 0.391 4.351 3.960 -0.001 0.000 0.291 671 G C -2.248 172.703 174.900 0.084 0.000 1.450 671 G CA -0.858 44.305 45.100 0.105 0.000 0.790 671 G HN 0.362 nan 8.290 nan 0.000 0.496 672 D N 0.750 121.187 120.400 0.062 0.000 2.339 672 D HA 0.450 5.090 4.640 -0.001 0.000 0.245 672 D C -1.988 174.339 176.300 0.045 0.000 1.115 672 D CA -0.773 53.257 54.000 0.051 0.000 0.917 672 D CB 1.073 41.898 40.800 0.041 0.000 1.192 672 D HN 0.018 nan 8.370 nan 0.000 0.428 673 P HA 0.086 nan 4.420 nan 0.000 0.265 673 P C -0.467 176.859 177.300 0.044 0.000 1.187 673 P CA 0.386 63.513 63.100 0.044 0.000 0.766 673 P CB 0.410 32.138 31.700 0.046 0.000 0.820 674 R N 0.173 120.701 120.500 0.047 0.000 2.709 674 R HA 0.364 4.704 4.340 -0.001 0.000 0.270 674 R C -1.205 175.132 176.300 0.062 0.000 1.038 674 R CA -1.001 55.129 56.100 0.049 0.000 0.872 674 R CB 0.923 31.247 30.300 0.041 0.000 1.259 674 R HN 0.231 nan 8.270 nan 0.000 0.473 675 E N 1.344 121.584 120.200 0.067 0.000 2.415 675 E HA 0.222 4.572 4.350 -0.001 0.000 0.262 675 E C -0.047 176.607 176.600 0.090 0.000 1.038 675 E CA 0.160 56.613 56.400 0.087 0.000 0.921 675 E CB 0.782 30.522 29.700 0.066 0.000 0.950 675 E HN 0.437 nan 8.360 nan 0.000 0.438 676 I N -1.880 118.775 120.570 0.142 0.000 2.994 676 I HA 0.555 4.724 4.170 -0.001 0.000 0.306 676 I C -0.872 175.380 176.117 0.225 0.000 1.195 676 I CA -0.611 60.772 61.300 0.138 0.000 1.001 676 I CB 2.460 40.510 38.000 0.084 0.000 1.244 676 I HN 0.278 nan 8.210 nan 0.000 0.437 677 S N 4.381 120.185 115.700 0.173 0.000 2.536 677 S HA 0.882 5.352 4.470 -0.001 0.000 0.287 677 S C -1.340 173.369 174.600 0.181 0.000 1.101 677 S CA -0.572 57.744 58.200 0.193 0.000 0.950 677 S CB 1.095 64.355 63.200 0.100 0.000 1.056 677 S HN 0.724 nan 8.310 nan 0.000 0.481 678 L N 3.181 124.538 121.223 0.223 0.000 2.434 678 L HA 0.684 5.023 4.340 -0.001 0.000 0.260 678 L C -0.530 176.427 176.870 0.145 0.000 0.983 678 L CA -0.750 54.192 54.840 0.170 0.000 0.820 678 L CB 2.489 44.659 42.059 0.185 0.000 1.361 678 L HN 0.697 nan 8.230 nan 0.000 0.410 679 R N 1.844 122.407 120.500 0.104 0.000 2.515 679 R HA 0.638 4.977 4.340 -0.001 0.000 0.291 679 R C -2.017 174.325 176.300 0.070 0.000 1.046 679 R CA -0.449 55.701 56.100 0.084 0.000 0.914 679 R CB 2.198 32.540 30.300 0.070 0.000 1.191 679 R HN 0.405 nan 8.270 nan 0.000 0.435 680 V N 4.602 124.556 119.914 0.067 0.000 2.472 680 V HA 0.540 4.660 4.120 -0.001 0.000 0.290 680 V C 1.180 177.303 176.094 0.048 0.000 1.037 680 V CA 0.641 62.976 62.300 0.059 0.000 0.908 680 V CB 1.173 33.032 31.823 0.061 0.000 0.985 680 V HN 1.105 nan 8.190 nan 0.000 0.454 681 G N 4.974 113.801 108.800 0.045 0.000 2.634 681 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.309 681 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.309 681 G C 0.647 175.567 174.900 0.032 0.000 1.265 681 G CA 0.779 45.902 45.100 0.038 0.000 0.998 681 G HN 0.678 nan 8.290 nan 0.000 0.551 682 N N 2.186 120.901 118.700 0.026 0.000 2.299 682 N HA 0.174 4.914 4.740 -0.001 0.000 0.187 682 N C 1.593 177.111 175.510 0.014 0.000 1.099 682 N CA 1.078 54.139 53.050 0.019 0.000 0.867 682 N CB -0.073 38.422 38.487 0.014 0.000 0.974 682 N HN 0.850 nan 8.380 nan 0.000 0.477 683 G N 2.529 111.341 108.800 0.020 0.000 2.504 683 G HA2 0.011 3.971 3.960 -0.001 0.000 0.291 683 G HA3 0.011 3.971 3.960 -0.001 0.000 0.291 683 G C -2.161 172.746 174.900 0.011 0.000 1.345 683 G CA -0.401 44.709 45.100 0.016 0.000 1.090 683 G HN 0.065 nan 8.290 nan 0.000 0.591 684 P HA 0.202 nan 4.420 nan 0.000 0.274 684 P C -0.542 176.768 177.300 0.017 0.000 1.246 684 P CA 0.009 63.105 63.100 -0.006 0.000 0.795 684 P CB 0.891 32.581 31.700 -0.017 0.000 1.006 685 T N 2.169 116.728 114.554 0.008 0.000 2.771 685 T HA 0.493 4.842 4.350 -0.001 0.000 0.281 685 T C -0.008 174.716 174.700 0.040 0.000 0.982 685 T CA -0.396 61.736 62.100 0.053 0.000 0.978 685 T CB 0.230 69.147 68.868 0.082 0.000 0.930 685 T HN 0.188 nan 8.240 nan 0.000 0.447 686 L N 2.482 123.741 121.223 0.059 0.000 2.329 686 L HA 0.818 5.157 4.340 -0.001 0.000 0.279 686 L C 0.076 176.892 176.870 -0.091 0.000 1.014 686 L CA -1.202 53.592 54.840 -0.077 0.000 0.814 686 L CB 1.657 43.648 42.059 -0.113 0.000 1.257 686 L HN 0.654 nan 8.230 nan 0.000 0.424 687 A N 2.769 125.423 122.820 -0.278 0.000 2.350 687 A HA 0.877 5.197 4.320 -0.001 0.000 0.324 687 A C -1.273 176.049 177.584 -0.437 0.000 1.118 687 A CA -0.312 51.626 52.037 -0.165 0.000 0.783 687 A CB 0.913 19.857 19.000 -0.094 0.000 1.236 687 A HN 0.488 nan 8.150 nan 0.000 0.457 688 F N 0.795 120.757 119.950 0.019 0.000 2.546 688 F HA 0.552 5.078 4.527 -0.001 0.000 0.320 688 F C 1.076 176.901 175.800 0.041 0.000 1.076 688 F CA -0.327 57.697 58.000 0.041 0.000 0.928 688 F CB 2.170 41.205 39.000 0.059 0.000 1.189 688 F HN 0.677 nan 8.300 nan 0.000 0.465 689 S N 0.145 115.980 115.700 0.224 0.000 2.617 689 S HA 0.106 4.575 4.470 -0.001 0.000 0.259 689 S C 0.981 175.679 174.600 0.164 0.000 1.301 689 S CA -0.073 58.226 58.200 0.165 0.000 0.984 689 S CB 0.653 63.950 63.200 0.163 0.000 0.954 689 S HN 0.840 nan 8.310 nan 0.000 0.572 690 E N -0.229 120.041 120.200 0.117 0.000 2.472 690 E HA -0.159 4.191 4.350 -0.001 0.000 0.200 690 E C 1.204 177.860 176.600 0.094 0.000 1.046 690 E CA 0.777 57.234 56.400 0.095 0.000 0.871 690 E CB -0.416 29.327 29.700 0.071 0.000 0.806 690 E HN 0.795 nan 8.360 nan 0.000 0.533 691 Q N 0.230 120.097 119.800 0.113 0.000 2.280 691 Q HA 0.171 4.511 4.340 -0.001 0.000 0.202 691 Q C 0.696 176.777 176.000 0.135 0.000 0.903 691 Q CA 0.237 56.103 55.803 0.106 0.000 0.948 691 Q CB 0.816 29.616 28.738 0.102 0.000 1.058 691 Q HN 0.514 nan 8.270 nan 0.000 0.493 692 G N 1.060 109.958 108.800 0.165 0.000 2.143 692 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.248 692 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.248 692 G C -0.118 175.004 174.900 0.371 0.000 0.991 692 G CA -0.026 45.183 45.100 0.183 0.000 0.689 692 G HN 0.277 nan 8.290 nan 0.000 0.522 693 L N -0.105 121.357 121.223 0.397 0.000 2.325 693 L HA 0.663 5.003 4.340 -0.001 0.000 0.278 693 L C 0.843 177.948 176.870 0.390 0.000 1.023 693 L CA -1.393 53.723 54.840 0.460 0.000 0.811 693 L CB 1.521 43.772 42.059 0.320 0.000 1.249 693 L HN 0.146 nan 8.230 nan 0.000 0.431 694 L N 3.480 124.918 121.223 0.358 0.000 2.525 694 L HA -0.037 4.302 4.340 -0.001 0.000 0.278 694 L C 1.013 177.761 176.870 -0.204 0.000 1.218 694 L CA 0.943 55.701 54.840 -0.135 0.000 0.878 694 L CB 0.155 42.199 42.059 -0.025 0.000 1.127 694 L HN 0.812 nan 8.230 nan 0.000 0.492 695 K N 1.354 121.512 120.400 -0.403 0.000 2.511 695 K HA 0.308 4.628 4.320 -0.001 0.000 0.209 695 K C -0.144 176.048 176.600 -0.679 0.000 1.301 695 K CA 0.323 56.219 56.287 -0.652 0.000 0.967 695 K CB 0.433 32.709 32.500 -0.373 0.000 1.109 695 K HN 0.622 nan 8.250 nan 0.000 0.561 696 S N 0.319 115.763 115.700 -0.426 0.000 2.565 696 S HA 0.599 5.069 4.470 -0.001 0.000 0.269 696 S C -1.138 173.334 174.600 -0.213 0.000 1.153 696 S CA -0.964 57.067 58.200 -0.282 0.000 0.835 696 S CB 1.426 64.543 63.200 -0.138 0.000 1.122 696 S HN 0.180 nan 8.310 nan 0.000 0.462 697 I N 1.436 121.912 120.570 -0.156 0.000 2.499 697 I HA 0.436 4.606 4.170 -0.001 0.000 0.288 697 I C -0.683 175.356 176.117 -0.130 0.000 1.048 697 I CA -0.341 60.881 61.300 -0.130 0.000 1.062 697 I CB 2.152 40.072 38.000 -0.135 0.000 1.238 697 I HN 0.748 nan 8.210 nan 0.000 0.426 698 Q N 6.195 125.909 119.800 -0.144 0.000 2.368 698 Q HA 0.422 4.762 4.340 -0.001 0.000 0.263 698 Q C 0.008 175.917 176.000 -0.152 0.000 1.009 698 Q CA -0.534 55.114 55.803 -0.257 0.000 0.818 698 Q CB 1.712 30.149 28.738 -0.502 0.000 1.239 698 Q HN 0.773 nan 8.270 nan 0.000 0.464 699 L N 2.010 123.155 121.223 -0.130 0.000 2.056 699 L HA -0.030 4.310 4.340 -0.001 0.000 0.207 699 L C 1.215 178.043 176.870 -0.071 0.000 1.078 699 L CA 1.347 56.136 54.840 -0.086 0.000 0.749 699 L CB -0.336 41.677 42.059 -0.076 0.000 0.901 699 L HN 0.682 nan 8.230 nan 0.000 0.433 700 T N -5.919 108.586 114.554 -0.083 0.000 2.864 700 T HA 0.221 4.571 4.350 -0.001 0.000 0.289 700 T C 0.489 175.149 174.700 -0.067 0.000 1.082 700 T CA -0.831 61.234 62.100 -0.058 0.000 1.009 700 T CB 1.621 70.461 68.868 -0.045 0.000 1.234 700 T HN 0.003 nan 8.240 nan 0.000 0.526 701 Q N 0.247 120.025 119.800 -0.037 0.000 2.135 701 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 701 Q C 1.132 177.114 176.000 -0.030 0.000 0.981 701 Q CA 2.309 58.098 55.803 -0.023 0.000 0.856 701 Q CB -0.354 28.382 28.738 -0.003 0.000 0.902 701 Q HN 0.738 nan 8.270 nan 0.000 0.425 702 D N 0.693 121.072 120.400 -0.035 0.000 2.162 702 D HA -0.053 4.587 4.640 -0.001 0.000 0.205 702 D C 0.767 177.034 176.300 -0.054 0.000 0.964 702 D CA 0.678 54.660 54.000 -0.030 0.000 0.847 702 D CB 0.100 40.887 40.800 -0.021 0.000 0.988 702 D HN 0.144 nan 8.370 nan 0.000 0.480 703 S N 1.437 117.088 115.700 -0.081 0.000 2.563 703 S HA 0.054 4.524 4.470 -0.001 0.000 0.269 703 S C -2.206 172.304 174.600 -0.151 0.000 1.364 703 S CA -1.034 57.106 58.200 -0.100 0.000 1.010 703 S CB 0.197 63.334 63.200 -0.104 0.000 0.877 703 S HN -0.026 nan 8.310 nan 0.000 0.549 704 P HA 0.157 nan 4.420 nan 0.000 0.274 704 P C -0.706 176.462 177.300 -0.221 0.000 1.237 704 P CA -0.358 62.680 63.100 -0.103 0.000 0.793 704 P CB 0.272 31.955 31.700 -0.027 0.000 0.977 705 H N 0.400 119.449 119.070 -0.035 0.000 3.067 705 H HA 0.155 4.711 4.556 -0.001 0.000 0.265 705 H C -0.042 175.241 175.328 -0.073 0.000 1.234 705 H CA -0.312 55.700 56.048 -0.059 0.000 1.452 705 H CB -0.122 29.607 29.762 -0.056 0.000 1.527 705 H HN 0.096 nan 8.280 nan 0.000 0.486 706 V N 6.840 126.716 119.914 -0.064 0.000 2.479 706 V HA 0.021 4.140 4.120 -0.001 0.000 0.281 706 V C -1.854 174.164 176.094 -0.127 0.000 1.031 706 V CA -1.348 60.906 62.300 -0.076 0.000 1.038 706 V CB 0.486 32.253 31.823 -0.094 0.000 0.981 706 V HN 0.540 nan 8.190 nan 0.000 0.478 707 P HA 0.187 nan 4.420 nan 0.000 0.266 707 P C -0.799 176.331 177.300 -0.284 0.000 1.215 707 P CA 0.242 63.189 63.100 -0.255 0.000 0.763 707 P CB 0.469 31.961 31.700 -0.347 0.000 0.806 708 V N 5.053 124.745 119.914 -0.371 0.000 2.555 708 V HA 0.215 4.335 4.120 -0.001 0.000 0.283 708 V C -0.500 175.345 176.094 -0.415 0.000 1.020 708 V CA -0.468 61.636 62.300 -0.327 0.000 0.883 708 V CB 0.994 32.628 31.823 -0.314 0.000 1.030 708 V HN 0.584 nan 8.190 nan 0.000 0.448 709 H N 4.259 123.162 119.070 -0.278 0.000 2.481 709 H HA 0.480 5.036 4.556 -0.001 0.000 0.333 709 H C -0.915 174.275 175.328 -0.230 0.000 1.066 709 H CA -0.375 55.553 56.048 -0.200 0.000 1.209 709 H CB 2.038 31.726 29.762 -0.124 0.000 1.445 709 H HN 0.469 nan 8.280 nan 0.000 0.488 710 F N 2.228 122.173 119.950 -0.009 0.000 2.384 710 F HA 0.270 4.797 4.527 -0.001 0.000 0.338 710 F C 0.583 176.294 175.800 -0.149 0.000 1.103 710 F CA 0.000 57.923 58.000 -0.129 0.000 1.157 710 F CB 1.187 40.112 39.000 -0.125 0.000 1.167 710 F HN 0.282 nan 8.300 nan 0.000 0.529 711 K N 3.392 123.762 120.400 -0.050 0.000 2.523 711 K HA 0.473 4.793 4.320 -0.001 0.000 0.257 711 K C -2.015 174.388 176.600 -0.328 0.000 0.932 711 K CA -0.614 55.619 56.287 -0.090 0.000 0.812 711 K CB 1.467 33.941 32.500 -0.043 0.000 1.326 711 K HN 0.436 nan 8.250 nan 0.000 0.433 712 F N 3.699 123.626 119.950 -0.039 0.000 2.458 712 F HA 0.506 5.032 4.527 -0.001 0.000 0.336 712 F C -0.436 175.341 175.800 -0.039 0.000 1.114 712 F CA -0.608 57.363 58.000 -0.048 0.000 0.987 712 F CB 1.291 40.243 39.000 -0.080 0.000 1.130 712 F HN 0.252 nan 8.300 nan 0.000 0.458 713 L N 2.634 123.913 121.223 0.093 0.000 2.277 713 L HA 0.648 4.987 4.340 -0.001 0.000 0.254 713 L C -1.118 175.753 176.870 0.000 0.000 1.044 713 L CA -1.010 53.832 54.840 0.004 0.000 0.842 713 L CB 2.185 44.180 42.059 -0.107 0.000 1.422 713 L HN 0.482 nan 8.230 nan 0.000 0.422 714 K N -0.438 119.917 120.400 -0.075 0.000 2.427 714 K HA 0.626 4.945 4.320 -0.001 0.000 0.252 714 K C -1.799 174.727 176.600 -0.122 0.000 0.931 714 K CA -0.785 55.483 56.287 -0.030 0.000 0.793 714 K CB 1.827 34.349 32.500 0.037 0.000 1.211 714 K HN 0.288 nan 8.250 nan 0.000 0.426 715 Y N 0.409 120.773 120.300 0.106 0.000 2.419 715 Y HA 0.520 5.070 4.550 -0.001 0.000 0.328 715 Y C 0.976 176.935 175.900 0.098 0.000 1.162 715 Y CA -0.106 58.068 58.100 0.124 0.000 1.174 715 Y CB 2.264 40.868 38.460 0.240 0.000 1.228 715 Y HN 0.918 nan 8.280 nan 0.000 0.473 716 G N 0.446 109.394 108.800 0.247 0.000 3.107 716 G HA2 0.640 4.599 3.960 -0.001 0.000 0.232 716 G HA3 0.640 4.599 3.960 -0.001 0.000 0.232 716 G C -1.556 173.418 174.900 0.124 0.000 1.339 716 G CA -0.739 44.448 45.100 0.144 0.000 1.033 716 G HN 0.426 nan 8.290 nan 0.000 0.567 717 V N -0.022 119.929 119.914 0.061 0.000 2.823 717 V HA 0.462 4.582 4.120 -0.001 0.000 0.312 717 V C -0.096 175.981 176.094 -0.028 0.000 1.072 717 V CA -0.909 61.406 62.300 0.026 0.000 0.937 717 V CB 1.911 33.753 31.823 0.032 0.000 1.013 717 V HN 0.682 nan 8.190 nan 0.000 0.430 718 R N 1.482 121.941 120.500 -0.067 0.000 2.537 718 R HA 0.166 4.505 4.340 -0.001 0.000 0.280 718 R C 1.248 177.447 176.300 -0.167 0.000 1.058 718 R CA 0.446 56.455 56.100 -0.153 0.000 1.057 718 R CB 0.520 30.719 30.300 -0.168 0.000 0.973 718 R HN 0.926 nan 8.270 nan 0.000 0.438 719 S N 1.703 117.248 115.700 -0.259 0.000 2.470 719 S HA -0.053 4.416 4.470 -0.001 0.000 0.225 719 S C 0.587 175.131 174.600 -0.095 0.000 1.006 719 S CA 0.142 58.254 58.200 -0.147 0.000 0.934 719 S CB -0.192 62.959 63.200 -0.081 0.000 0.778 719 S HN 0.767 nan 8.310 nan 0.000 0.517 720 H N -0.740 118.333 119.070 0.005 0.000 2.690 720 H HA 0.668 5.224 4.556 -0.001 0.000 0.368 720 H C 0.590 175.917 175.328 -0.001 0.000 1.150 720 H CA -0.585 55.464 56.048 0.001 0.000 1.174 720 H CB 1.220 30.983 29.762 0.001 0.000 1.684 720 H HN 0.428 nan 8.280 nan 0.000 0.538 721 G N 1.898 110.773 108.800 0.125 0.000 2.548 721 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.208 721 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.208 721 G C -1.265 173.645 174.900 0.017 0.000 1.308 721 G CA -0.461 44.681 45.100 0.070 0.000 0.924 721 G HN 0.721 nan 8.290 nan 0.000 0.540 722 D N 1.141 121.544 120.400 0.004 0.000 2.389 722 D HA 0.464 5.103 4.640 -0.001 0.000 0.247 722 D C 0.999 177.287 176.300 -0.020 0.000 1.128 722 D CA 0.383 54.377 54.000 -0.011 0.000 0.884 722 D CB 0.678 41.469 40.800 -0.015 0.000 1.194 722 D HN 0.520 nan 8.370 nan 0.000 0.441 723 R N 0.982 121.473 120.500 -0.016 0.000 2.474 723 R HA 0.336 4.676 4.340 -0.001 0.000 0.295 723 R C 0.142 176.441 176.300 -0.002 0.000 0.980 723 R CA -0.593 55.502 56.100 -0.009 0.000 0.934 723 R CB 1.218 31.518 30.300 0.001 0.000 1.101 723 R HN 0.316 nan 8.270 nan 0.000 0.469 724 S N 0.462 116.171 115.700 0.016 0.000 2.568 724 S HA 0.348 4.817 4.470 -0.001 0.000 0.282 724 S C 0.356 174.981 174.600 0.041 0.000 1.338 724 S CA -0.021 58.206 58.200 0.045 0.000 1.045 724 S CB 1.289 64.549 63.200 0.101 0.000 0.873 724 S HN 0.776 nan 8.310 nan 0.000 0.516 725 G N -0.098 108.727 108.800 0.041 0.000 2.815 725 G HA2 0.588 4.547 3.960 -0.001 0.000 0.305 725 G HA3 0.588 4.547 3.960 -0.001 0.000 0.305 725 G C 0.550 175.471 174.900 0.035 0.000 1.277 725 G CA -0.111 45.017 45.100 0.048 0.000 0.795 725 G HN 0.706 nan 8.290 nan 0.000 0.528 726 A N -1.278 121.544 122.820 0.004 0.000 1.978 726 A HA 0.066 4.385 4.320 -0.001 0.000 0.220 726 A C 1.905 179.397 177.584 -0.154 0.000 1.170 726 A CA 2.023 54.000 52.037 -0.100 0.000 0.636 726 A CB -0.634 18.230 19.000 -0.227 0.000 0.810 726 A HN 0.597 nan 8.150 nan 0.000 0.448 727 Y N -0.621 119.619 120.300 -0.099 0.000 2.266 727 Y HA 0.322 4.871 4.550 -0.001 0.000 0.294 727 Y C 0.903 176.693 175.900 -0.183 0.000 1.127 727 Y CA -0.036 57.931 58.100 -0.221 0.000 1.140 727 Y CB -0.250 37.720 38.460 -0.817 0.000 1.071 727 Y HN 0.019 nan 8.280 nan 0.000 0.525 728 L N 0.853 122.035 121.223 -0.068 0.000 2.326 728 L HA 0.167 4.506 4.340 -0.001 0.000 0.278 728 L C -0.794 176.137 176.870 0.102 0.000 1.092 728 L CA -0.189 54.623 54.840 -0.048 0.000 0.810 728 L CB 0.778 42.759 42.059 -0.130 0.000 1.153 728 L HN 0.137 nan 8.230 nan 0.000 0.439 729 F N 5.040 124.939 119.950 -0.085 0.000 2.361 729 F HA 0.486 5.012 4.527 -0.001 0.000 0.364 729 F C -0.628 175.099 175.800 -0.121 0.000 1.117 729 F CA -0.800 57.109 58.000 -0.151 0.000 1.071 729 F CB 0.711 39.553 39.000 -0.263 0.000 1.188 729 F HN 0.324 nan 8.300 nan 0.000 0.464 730 L N 9.018 130.161 121.223 -0.133 0.000 2.529 730 L HA 0.326 4.666 4.340 -0.001 0.000 0.246 730 L C -2.308 174.395 176.870 -0.277 0.000 1.394 730 L CA -1.905 52.791 54.840 -0.239 0.000 0.906 730 L CB 0.990 42.997 42.059 -0.086 0.000 1.170 730 L HN 0.434 nan 8.230 nan 0.000 0.501 731 P HA 0.004 nan 4.420 nan 0.000 0.269 731 P C -0.437 176.789 177.300 -0.124 0.000 1.209 731 P CA -0.200 62.727 63.100 -0.288 0.000 0.776 731 P CB 0.571 31.994 31.700 -0.462 0.000 0.876 732 N N 1.414 120.104 118.700 -0.016 0.000 3.259 732 N HA 0.250 4.989 4.740 -0.001 0.000 0.308 732 N C 0.740 176.256 175.510 0.010 0.000 1.334 732 N CA -0.058 52.977 53.050 -0.025 0.000 1.202 732 N CB -0.863 37.609 38.487 -0.026 0.000 1.485 732 N HN 0.745 nan 8.380 nan 0.000 0.549 733 G N 0.653 109.457 108.800 0.008 0.000 2.631 733 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.504 733 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.504 733 G C -3.030 171.938 174.900 0.114 0.000 1.306 733 G CA -1.110 44.010 45.100 0.034 0.000 0.897 733 G HN 0.363 nan 8.290 nan 0.000 0.520 734 P HA 0.446 nan 4.420 nan 0.000 0.268 734 P C 0.554 177.809 177.300 -0.074 0.000 1.208 734 P CA 0.725 63.878 63.100 0.088 0.000 0.777 734 P CB 0.440 32.160 31.700 0.033 0.000 0.875 735 A N 2.442 125.024 122.820 -0.397 0.000 2.466 735 A HA 0.346 4.665 4.320 -0.001 0.000 0.238 735 A C 0.187 177.609 177.584 -0.269 0.000 1.074 735 A CA 0.419 52.045 52.037 -0.685 0.000 0.774 735 A CB -0.265 18.098 19.000 -1.062 0.000 1.015 735 A HN 0.488 nan 8.150 nan 0.000 0.498 736 S N 2.429 118.014 115.700 -0.193 0.000 2.501 736 S HA 0.585 5.054 4.470 -0.001 0.000 0.301 736 S C -2.726 171.832 174.600 -0.070 0.000 1.096 736 S CA -1.051 57.093 58.200 -0.093 0.000 1.063 736 S CB 1.379 64.547 63.200 -0.053 0.000 1.042 736 S HN 0.568 nan 8.310 nan 0.000 0.494 737 P HA 0.122 nan 4.420 nan 0.000 0.266 737 P C -0.842 176.460 177.300 0.003 0.000 1.195 737 P CA -0.247 62.844 63.100 -0.015 0.000 0.768 737 P CB 0.354 32.048 31.700 -0.010 0.000 0.838 738 V N 3.841 123.772 119.914 0.028 0.000 2.607 738 V HA 0.088 4.207 4.120 -0.001 0.000 0.289 738 V C 0.742 176.851 176.094 0.025 0.000 1.053 738 V CA -0.277 62.041 62.300 0.030 0.000 0.996 738 V CB 0.669 32.520 31.823 0.047 0.000 0.995 738 V HN 0.454 nan 8.190 nan 0.000 0.476 739 E N 4.395 124.604 120.200 0.016 0.000 2.217 739 E HA 0.183 4.532 4.350 -0.001 0.000 0.279 739 E C 0.511 177.117 176.600 0.010 0.000 1.068 739 E CA 0.085 56.493 56.400 0.014 0.000 0.882 739 E CB 1.098 30.805 29.700 0.012 0.000 1.039 739 E HN 0.518 nan 8.360 nan 0.000 0.418 740 L N 1.801 123.032 121.223 0.014 0.000 2.477 740 L HA 0.136 4.475 4.340 -0.001 0.000 0.220 740 L C 1.359 178.232 176.870 0.006 0.000 1.106 740 L CA 0.434 55.278 54.840 0.006 0.000 0.851 740 L CB -0.377 41.694 42.059 0.020 0.000 0.994 740 L HN 0.736 nan 8.230 nan 0.000 0.462 741 G N 0.847 109.654 108.800 0.012 0.000 2.552 741 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.265 741 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.265 741 G C -0.079 174.833 174.900 0.020 0.000 1.234 741 G CA 0.066 45.174 45.100 0.014 0.000 0.944 741 G HN 0.321 nan 8.290 nan 0.000 0.568 742 Q N 1.522 121.335 119.800 0.022 0.000 2.571 742 Q HA 0.472 4.812 4.340 -0.001 0.000 0.243 742 Q C -2.053 173.968 176.000 0.034 0.000 1.055 742 Q CA -1.653 54.168 55.803 0.030 0.000 0.815 742 Q CB 1.150 29.905 28.738 0.028 0.000 1.151 742 Q HN 0.639 nan 8.270 nan 0.000 0.519 743 P HA 0.022 nan 4.420 nan 0.000 0.272 743 P C -0.452 176.894 177.300 0.077 0.000 1.223 743 P CA -0.250 62.876 63.100 0.042 0.000 0.784 743 P CB 1.113 32.821 31.700 0.013 0.000 0.923 744 V N 2.537 122.530 119.914 0.132 0.000 2.508 744 V HA 0.097 4.217 4.120 -0.001 0.000 0.281 744 V C 0.571 176.800 176.094 0.225 0.000 1.041 744 V CA -0.158 62.246 62.300 0.174 0.000 1.016 744 V CB 1.163 33.126 31.823 0.232 0.000 0.984 744 V HN 0.268 nan 8.190 nan 0.000 0.478 745 V N 6.499 126.491 119.914 0.131 0.000 2.448 745 V HA 0.465 4.585 4.120 -0.001 0.000 0.295 745 V C -0.380 175.725 176.094 0.018 0.000 1.025 745 V CA -0.637 61.721 62.300 0.097 0.000 0.859 745 V CB 1.675 33.515 31.823 0.030 0.000 0.988 745 V HN 0.670 nan 8.190 nan 0.000 0.431 746 L N 6.588 127.823 121.223 0.020 0.000 2.313 746 L HA 0.744 5.083 4.340 -0.001 0.000 0.283 746 L C -0.627 176.120 176.870 -0.206 0.000 1.013 746 L CA 0.038 54.760 54.840 -0.198 0.000 0.816 746 L CB 1.748 43.580 42.059 -0.377 0.000 1.236 746 L HN 0.444 nan 8.230 nan 0.000 0.419 747 V N 4.090 123.868 119.914 -0.228 0.000 2.409 747 V HA 0.569 4.688 4.120 -0.001 0.000 0.291 747 V C -0.085 175.924 176.094 -0.142 0.000 1.020 747 V CA -0.407 61.782 62.300 -0.185 0.000 0.848 747 V CB 1.696 33.428 31.823 -0.153 0.000 0.990 747 V HN 0.849 nan 8.190 nan 0.000 0.430 748 T N 5.228 119.728 114.554 -0.089 0.000 2.792 748 T HA 0.478 4.828 4.350 -0.001 0.000 0.280 748 T C -0.492 174.225 174.700 0.028 0.000 0.990 748 T CA -0.609 61.494 62.100 0.006 0.000 0.960 748 T CB 1.318 70.228 68.868 0.072 0.000 0.939 748 T HN 0.653 nan 8.240 nan 0.000 0.439 749 K N 2.173 122.609 120.400 0.060 0.000 2.413 749 K HA 0.689 5.009 4.320 -0.001 0.000 0.257 749 K C -0.461 176.192 176.600 0.089 0.000 0.946 749 K CA -0.583 55.740 56.287 0.061 0.000 0.823 749 K CB 1.134 33.662 32.500 0.047 0.000 1.109 749 K HN 0.802 nan 8.250 nan 0.000 0.427 750 G N 2.254 111.104 108.800 0.083 0.000 2.680 750 G HA2 0.222 4.182 3.960 -0.001 0.000 0.290 750 G HA3 0.222 4.182 3.960 -0.001 0.000 0.290 750 G C -0.237 174.705 174.900 0.070 0.000 1.355 750 G CA -0.676 44.476 45.100 0.087 0.000 0.903 750 G HN 0.615 nan 8.290 nan 0.000 0.474 751 K N -0.368 120.069 120.400 0.063 0.000 2.148 751 K HA 0.071 4.391 4.320 -0.001 0.000 0.204 751 K C 1.924 178.558 176.600 0.056 0.000 1.050 751 K CA 0.914 57.235 56.287 0.056 0.000 0.942 751 K CB -0.023 32.507 32.500 0.051 0.000 0.724 751 K HN 0.314 nan 8.250 nan 0.000 0.446 752 L N -0.206 121.052 121.223 0.058 0.000 2.357 752 L HA 0.145 4.484 4.340 -0.001 0.000 0.211 752 L C 0.732 177.635 176.870 0.054 0.000 1.075 752 L CA 0.229 55.103 54.840 0.057 0.000 0.830 752 L CB 0.309 42.404 42.059 0.062 0.000 0.996 752 L HN 0.161 nan 8.230 nan 0.000 0.467 753 E N -0.280 119.956 120.200 0.061 0.000 2.304 753 E HA 0.405 4.755 4.350 -0.001 0.000 0.277 753 E C -1.448 175.191 176.600 0.067 0.000 0.898 753 E CA -0.226 56.210 56.400 0.060 0.000 0.764 753 E CB 2.154 31.889 29.700 0.058 0.000 1.216 753 E HN -0.120 nan 8.360 nan 0.000 0.419 754 S N 1.217 116.953 115.700 0.060 0.000 2.634 754 S HA 0.805 5.275 4.470 -0.001 0.000 0.296 754 S C -1.268 173.349 174.600 0.029 0.000 1.104 754 S CA -0.636 57.593 58.200 0.049 0.000 0.920 754 S CB 1.779 65.008 63.200 0.048 0.000 1.111 754 S HN 0.639 nan 8.310 nan 0.000 0.493 755 S N -0.277 115.415 115.700 -0.014 0.000 2.588 755 S HA 0.759 5.229 4.470 -0.001 0.000 0.269 755 S C -1.793 172.704 174.600 -0.172 0.000 1.157 755 S CA -0.737 57.427 58.200 -0.059 0.000 0.824 755 S CB 1.092 64.282 63.200 -0.016 0.000 1.126 755 S HN 0.478 nan 8.310 nan 0.000 0.464 756 V N 1.631 121.382 119.914 -0.272 0.000 2.525 756 V HA 0.736 4.856 4.120 -0.001 0.000 0.299 756 V C -0.686 175.263 176.094 -0.240 0.000 1.034 756 V CA -0.385 61.684 62.300 -0.385 0.000 0.863 756 V CB 1.762 33.035 31.823 -0.916 0.000 0.999 756 V HN 1.000 nan 8.190 nan 0.000 0.423 757 S N 3.261 118.881 115.700 -0.134 0.000 2.521 757 S HA 0.763 5.232 4.470 -0.001 0.000 0.295 757 S C -0.831 173.710 174.600 -0.099 0.000 1.098 757 S CA -0.609 57.526 58.200 -0.108 0.000 0.999 757 S CB 2.095 65.337 63.200 0.070 0.000 1.034 757 S HN 0.679 nan 8.310 nan 0.000 0.483 758 V N 2.329 122.069 119.914 -0.289 0.000 2.709 758 V HA 0.824 4.944 4.120 -0.001 0.000 0.308 758 V C 0.073 175.796 176.094 -0.619 0.000 1.062 758 V CA -0.437 61.699 62.300 -0.274 0.000 0.901 758 V CB 1.665 33.455 31.823 -0.055 0.000 1.003 758 V HN 0.988 nan 8.190 nan 0.000 0.425 759 G N 7.185 115.616 108.800 -0.615 0.000 2.530 759 G HA2 0.508 4.468 3.960 -0.001 0.000 0.313 759 G HA3 0.508 4.468 3.960 -0.001 0.000 0.313 759 G C -0.455 174.295 174.900 -0.250 0.000 0.971 759 G CA -0.328 44.448 45.100 -0.539 0.000 1.237 759 G HN 0.712 nan 8.290 nan 0.000 0.446 760 L N 2.696 123.737 121.223 -0.304 0.000 2.431 760 L HA 0.433 4.773 4.340 -0.001 0.000 0.260 760 L C -2.049 174.691 176.870 -0.218 0.000 1.098 760 L CA -2.261 52.434 54.840 -0.242 0.000 0.800 760 L CB 1.850 43.700 42.059 -0.348 0.000 1.210 760 L HN 0.216 nan 8.230 nan 0.000 0.465 761 P HA 0.220 nan 4.420 nan 0.000 0.281 761 P C -0.112 177.104 177.300 -0.141 0.000 1.252 761 P CA 0.047 63.072 63.100 -0.125 0.000 0.778 761 P CB 1.462 33.121 31.700 -0.068 0.000 0.895 762 S N -0.451 115.184 115.700 -0.108 0.000 2.691 762 S HA -0.099 4.371 4.470 -0.001 0.000 0.262 762 S C 0.166 174.678 174.600 -0.147 0.000 1.284 762 S CA 1.251 59.398 58.200 -0.088 0.000 1.372 762 S CB -1.418 61.751 63.200 -0.053 0.000 1.693 762 S HN 0.394 nan 8.310 nan 0.000 0.647 763 V N 1.182 120.947 119.914 -0.249 0.000 2.777 763 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 763 V C -0.395 175.477 176.094 -0.371 0.000 1.112 763 V CA -0.791 61.320 62.300 -0.314 0.000 0.917 763 V CB 2.194 33.699 31.823 -0.530 0.000 1.018 763 V HN 0.082 nan 8.190 nan 0.000 0.426 764 V N 3.734 123.436 119.914 -0.354 0.000 2.318 764 V HA 0.355 4.474 4.120 -0.001 0.000 0.271 764 V C -0.324 175.561 176.094 -0.348 0.000 1.030 764 V CA -0.471 61.505 62.300 -0.539 0.000 0.844 764 V CB 0.961 32.350 31.823 -0.722 0.000 1.015 764 V HN 0.932 nan 8.190 nan 0.000 0.460 765 H N 4.720 123.541 119.070 -0.415 0.000 2.517 765 H HA 0.621 5.177 4.556 -0.001 0.000 0.317 765 H C -0.385 174.834 175.328 -0.182 0.000 1.080 765 H CA -0.243 55.668 56.048 -0.228 0.000 1.301 765 H CB 1.013 30.672 29.762 -0.172 0.000 1.425 765 H HN 0.676 nan 8.280 nan 0.000 0.471 766 Q N 3.252 122.760 119.800 -0.488 0.000 2.323 766 Q HA 0.403 4.742 4.340 -0.001 0.000 0.271 766 Q C -1.038 174.766 176.000 -0.326 0.000 1.048 766 Q CA -0.962 54.633 55.803 -0.347 0.000 0.792 766 Q CB 2.440 31.083 28.738 -0.158 0.000 1.280 766 Q HN 0.615 nan 8.270 nan 0.000 0.441 767 T N 2.947 117.382 114.554 -0.198 0.000 2.772 767 T HA 0.580 4.930 4.350 -0.001 0.000 0.288 767 T C -0.360 174.360 174.700 0.033 0.000 0.994 767 T CA -0.407 61.692 62.100 -0.002 0.000 0.951 767 T CB 0.277 69.313 68.868 0.280 0.000 0.933 767 T HN 0.370 nan 8.240 nan 0.000 0.447 768 I N 3.705 124.311 120.570 0.059 0.000 2.441 768 I HA 0.507 4.677 4.170 -0.001 0.000 0.295 768 I C -0.246 175.920 176.117 0.082 0.000 0.994 768 I CA -0.811 60.523 61.300 0.056 0.000 1.144 768 I CB 1.752 39.777 38.000 0.041 0.000 1.314 768 I HN 0.387 nan 8.210 nan 0.000 0.445 769 M N 5.798 125.445 119.600 0.078 0.000 2.253 769 M HA 0.488 4.967 4.480 -0.001 0.000 0.314 769 M C 0.162 176.500 176.300 0.063 0.000 1.019 769 M CA -0.308 55.041 55.300 0.083 0.000 0.932 769 M CB 2.225 34.888 32.600 0.105 0.000 1.606 769 M HN 0.461 nan 8.290 nan 0.000 0.430 770 R N 1.170 121.703 120.500 0.054 0.000 2.572 770 R HA 0.370 4.709 4.340 -0.001 0.000 0.370 770 R C 0.768 177.094 176.300 0.042 0.000 1.005 770 R CA 0.248 56.375 56.100 0.044 0.000 1.146 770 R CB 1.128 31.447 30.300 0.032 0.000 1.390 770 R HN 1.146 nan 8.270 nan 0.000 0.553 771 G N -0.300 108.527 108.800 0.045 0.000 2.255 771 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.196 771 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.196 771 G C 0.292 175.211 174.900 0.032 0.000 0.998 771 G CA -0.386 44.737 45.100 0.039 0.000 0.656 771 G HN 0.523 nan 8.290 nan 0.000 0.490 772 G N -0.088 108.732 108.800 0.033 0.000 3.257 772 G HA2 0.794 4.754 3.960 -0.001 0.000 0.205 772 G HA3 0.794 4.754 3.960 -0.001 0.000 0.205 772 G C 0.413 175.331 174.900 0.030 0.000 1.234 772 G CA 0.440 45.555 45.100 0.025 0.000 0.918 772 G HN 1.532 nan 8.290 nan 0.000 0.602 773 A N 1.430 124.266 122.820 0.026 0.000 2.540 773 A HA 0.506 4.826 4.320 -0.001 0.000 0.239 773 A C -1.682 175.937 177.584 0.058 0.000 1.061 773 A CA -0.398 51.659 52.037 0.034 0.000 0.758 773 A CB -0.444 18.574 19.000 0.029 0.000 0.991 773 A HN 0.406 nan 8.150 nan 0.000 0.502 774 P HA 0.140 nan 4.420 nan 0.000 0.272 774 P C -0.490 176.881 177.300 0.119 0.000 1.230 774 P CA -0.211 62.953 63.100 0.106 0.000 0.788 774 P CB 0.694 32.479 31.700 0.142 0.000 0.949 775 E N 1.294 121.561 120.200 0.111 0.000 2.191 775 E HA 0.400 4.749 4.350 -0.001 0.000 0.278 775 E C -0.835 175.844 176.600 0.131 0.000 0.972 775 E CA -0.723 55.747 56.400 0.117 0.000 0.804 775 E CB 0.596 30.341 29.700 0.075 0.000 1.110 775 E HN 0.217 nan 8.360 nan 0.000 0.394 776 I N 4.092 124.776 120.570 0.190 0.000 2.433 776 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 776 I C -0.073 176.175 176.117 0.217 0.000 1.001 776 I CA -0.633 60.759 61.300 0.153 0.000 1.119 776 I CB 1.357 39.457 38.000 0.167 0.000 1.289 776 I HN 0.589 nan 8.210 nan 0.000 0.438 777 R N 4.430 124.987 120.500 0.094 0.000 2.621 777 R HA 0.511 4.850 4.340 -0.001 0.000 0.292 777 R C -0.951 175.416 176.300 0.111 0.000 0.969 777 R CA -0.879 55.294 56.100 0.123 0.000 0.887 777 R CB 2.145 32.471 30.300 0.042 0.000 1.180 777 R HN 0.448 nan 8.270 nan 0.000 0.450 778 N N 2.414 121.238 118.700 0.207 0.000 2.443 778 N HA 0.197 4.937 4.740 -0.001 0.000 0.269 778 N C -1.340 174.192 175.510 0.036 0.000 0.985 778 N CA -0.692 52.454 53.050 0.161 0.000 0.921 778 N CB 1.822 40.507 38.487 0.331 0.000 1.195 778 N HN 0.330 nan 8.380 nan 0.000 0.492 779 L N 3.867 125.052 121.223 -0.063 0.000 2.282 779 L HA 0.385 4.725 4.340 -0.001 0.000 0.287 779 L C -1.015 175.795 176.870 -0.100 0.000 1.075 779 L CA -0.477 54.308 54.840 -0.092 0.000 0.839 779 L CB 0.383 42.377 42.059 -0.109 0.000 1.219 779 L HN 0.203 nan 8.230 nan 0.000 0.434 780 V N 4.672 124.528 119.914 -0.096 0.000 2.364 780 V HA 0.359 4.479 4.120 -0.001 0.000 0.272 780 V C -0.352 175.714 176.094 -0.047 0.000 1.036 780 V CA -0.396 61.864 62.300 -0.067 0.000 0.880 780 V CB 1.150 32.954 31.823 -0.031 0.000 0.991 780 V HN 0.722 nan 8.190 nan 0.000 0.460 781 D N 4.123 124.505 120.400 -0.031 0.000 2.346 781 D HA 0.239 4.879 4.640 -0.001 0.000 0.255 781 D C 0.467 176.773 176.300 0.010 0.000 1.276 781 D CA -0.412 53.584 54.000 -0.006 0.000 0.941 781 D CB 1.228 42.027 40.800 -0.002 0.000 1.199 781 D HN 0.464 nan 8.370 nan 0.000 0.537 782 I N 2.361 122.947 120.570 0.026 0.000 3.334 782 I HA 0.058 4.228 4.170 -0.001 0.000 0.282 782 I C 1.495 177.636 176.117 0.040 0.000 1.313 782 I CA 0.909 62.233 61.300 0.039 0.000 1.396 782 I CB -0.305 37.730 38.000 0.059 0.000 1.054 782 I HN 0.593 nan 8.210 nan 0.000 0.495 783 G N 1.249 110.070 108.800 0.035 0.000 2.698 783 G HA2 -0.512 3.447 3.960 -0.001 0.000 0.346 783 G HA3 -0.512 3.447 3.960 -0.001 0.000 0.346 783 G C 0.782 175.702 174.900 0.034 0.000 1.287 783 G CA 0.909 46.030 45.100 0.035 0.000 0.990 783 G HN 0.673 nan 8.290 nan 0.000 0.545 784 S N -0.129 115.592 115.700 0.035 0.000 2.575 784 S HA 0.509 4.978 4.470 -0.001 0.000 0.237 784 S C 0.879 175.500 174.600 0.036 0.000 0.975 784 S CA 0.097 58.316 58.200 0.032 0.000 0.960 784 S CB 0.066 63.281 63.200 0.024 0.000 0.822 784 S HN 0.640 nan 8.310 nan 0.000 0.472 785 L N 3.113 124.361 121.223 0.042 0.000 2.699 785 L HA 0.214 4.553 4.340 -0.001 0.000 0.283 785 L C -0.206 176.692 176.870 0.047 0.000 1.166 785 L CA -0.170 54.696 54.840 0.044 0.000 1.043 785 L CB -0.787 41.301 42.059 0.047 0.000 1.369 785 L HN 0.147 nan 8.230 nan 0.000 0.462 786 D N 3.129 123.554 120.400 0.042 0.000 2.399 786 D HA 0.004 4.643 4.640 -0.001 0.000 0.241 786 D C 0.687 177.017 176.300 0.049 0.000 1.133 786 D CA 0.292 54.318 54.000 0.043 0.000 0.890 786 D CB 0.359 41.180 40.800 0.035 0.000 1.201 786 D HN 0.345 nan 8.370 nan 0.000 0.432 787 N N 0.775 119.507 118.700 0.054 0.000 2.725 787 N HA -0.177 4.563 4.740 -0.001 0.000 0.251 787 N C -0.946 174.611 175.510 0.079 0.000 1.031 787 N CA 0.855 53.942 53.050 0.062 0.000 0.720 787 N CB -1.153 37.363 38.487 0.048 0.000 0.930 787 N HN 0.291 nan 8.380 nan 0.000 0.543 788 T N 0.371 114.977 114.554 0.087 0.000 2.893 788 T HA 0.438 4.788 4.350 -0.001 0.000 0.293 788 T C -0.272 174.502 174.700 0.123 0.000 1.027 788 T CA -0.716 61.447 62.100 0.106 0.000 0.988 788 T CB 2.435 71.353 68.868 0.084 0.000 1.043 788 T HN 0.015 nan 8.240 nan 0.000 0.461 789 E N 2.209 122.511 120.200 0.170 0.000 2.218 789 E HA 0.425 4.775 4.350 -0.001 0.000 0.263 789 E C -0.780 175.947 176.600 0.211 0.000 0.879 789 E CA -0.583 55.916 56.400 0.165 0.000 0.762 789 E CB 2.326 32.106 29.700 0.133 0.000 1.166 789 E HN 0.487 nan 8.360 nan 0.000 0.415 790 I N 2.856 123.535 120.570 0.182 0.000 2.331 790 I HA 0.225 4.395 4.170 -0.001 0.000 0.292 790 I C -0.187 176.078 176.117 0.246 0.000 0.998 790 I CA -0.744 60.678 61.300 0.203 0.000 1.267 790 I CB 1.389 39.498 38.000 0.182 0.000 1.386 790 I HN 0.180 nan 8.210 nan 0.000 0.476 791 V N 8.177 128.238 119.914 0.245 0.000 2.628 791 V HA 0.504 4.624 4.120 -0.001 0.000 0.306 791 V C -0.483 175.661 176.094 0.084 0.000 1.045 791 V CA -0.719 61.714 62.300 0.221 0.000 0.905 791 V CB 2.028 34.045 31.823 0.324 0.000 0.997 791 V HN 0.755 nan 8.190 nan 0.000 0.436 792 M N 7.260 126.842 119.600 -0.029 0.000 2.149 792 M HA 0.583 5.062 4.480 -0.001 0.000 0.342 792 M C -0.612 175.571 176.300 -0.194 0.000 1.068 792 M CA -0.444 54.628 55.300 -0.379 0.000 0.991 792 M CB 0.663 33.017 32.600 -0.410 0.000 1.596 792 M HN 0.764 nan 8.290 nan 0.000 0.439 793 R N 4.612 124.988 120.500 -0.206 0.000 2.637 793 R HA 0.721 5.061 4.340 -0.001 0.000 0.291 793 R C -2.007 174.245 176.300 -0.081 0.000 0.963 793 R CA -0.624 55.419 56.100 -0.094 0.000 0.901 793 R CB 1.572 31.828 30.300 -0.073 0.000 1.160 793 R HN 0.815 nan 8.270 nan 0.000 0.457 794 L N 3.183 124.333 121.223 -0.121 0.000 2.313 794 L HA 0.432 4.772 4.340 -0.001 0.000 0.283 794 L C -0.594 176.188 176.870 -0.146 0.000 1.013 794 L CA -0.448 54.252 54.840 -0.234 0.000 0.816 794 L CB 2.018 43.880 42.059 -0.329 0.000 1.236 794 L HN 0.615 nan 8.230 nan 0.000 0.419 795 E N 2.233 122.361 120.200 -0.120 0.000 2.145 795 E HA 0.488 4.838 4.350 -0.001 0.000 0.270 795 E C -0.602 175.954 176.600 -0.073 0.000 0.906 795 E CA -0.460 55.901 56.400 -0.066 0.000 0.761 795 E CB 2.059 31.726 29.700 -0.055 0.000 1.116 795 E HN 0.617 nan 8.360 nan 0.000 0.408 796 T N -1.065 113.452 114.554 -0.062 0.000 2.831 796 T HA 0.338 4.687 4.350 -0.001 0.000 0.287 796 T C 0.132 174.850 174.700 0.030 0.000 1.070 796 T CA -0.717 61.319 62.100 -0.108 0.000 1.010 796 T CB 1.066 69.888 68.868 -0.077 0.000 1.264 796 T HN 0.577 nan 8.240 nan 0.000 0.532 797 H N -0.658 118.414 119.070 0.004 0.000 2.505 797 H HA 0.419 4.975 4.556 -0.001 0.000 0.286 797 H C 0.082 175.413 175.328 0.006 0.000 1.072 797 H CA -0.603 55.449 56.048 0.005 0.000 1.141 797 H CB 0.073 29.841 29.762 0.010 0.000 1.550 797 H HN 0.325 nan 8.280 nan 0.000 0.547 798 I N 1.781 122.412 120.570 0.102 0.000 2.683 798 I HA -0.128 4.042 4.170 -0.001 0.000 0.286 798 I C 0.516 176.677 176.117 0.073 0.000 1.175 798 I CA 0.305 61.648 61.300 0.071 0.000 1.429 798 I CB 0.458 38.490 38.000 0.053 0.000 1.371 798 I HN 0.200 nan 8.210 nan 0.000 0.569 799 D N 4.634 125.072 120.400 0.064 0.000 2.619 799 D HA 0.044 4.683 4.640 -0.001 0.000 0.224 799 D C 1.162 177.502 176.300 0.067 0.000 1.133 799 D CA -0.048 53.986 54.000 0.056 0.000 1.017 799 D CB 0.364 41.190 40.800 0.044 0.000 1.077 799 D HN 0.533 nan 8.370 nan 0.000 0.503 800 S N 0.449 116.195 115.700 0.076 0.000 2.501 800 S HA 0.266 4.735 4.470 -0.001 0.000 0.220 800 S C 1.639 176.290 174.600 0.086 0.000 0.997 800 S CA 0.196 58.455 58.200 0.099 0.000 0.919 800 S CB -0.097 63.173 63.200 0.117 0.000 0.778 800 S HN 0.531 nan 8.310 nan 0.000 0.523 801 G N 3.319 112.158 108.800 0.064 0.000 2.574 801 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.301 801 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.301 801 G C 0.218 175.157 174.900 0.064 0.000 1.166 801 G CA 0.662 45.795 45.100 0.055 0.000 0.971 801 G HN 0.769 nan 8.290 nan 0.000 0.542 802 D N 0.134 120.578 120.400 0.072 0.000 2.440 802 D HA 0.346 4.985 4.640 -0.001 0.000 0.216 802 D C 0.619 177.004 176.300 0.141 0.000 1.150 802 D CA -0.230 53.829 54.000 0.099 0.000 0.832 802 D CB 0.246 41.091 40.800 0.075 0.000 0.992 802 D HN 0.444 nan 8.370 nan 0.000 0.502 803 I N 1.605 122.244 120.570 0.114 0.000 2.412 803 I HA 0.489 4.659 4.170 -0.001 0.000 0.296 803 I C -0.098 176.114 176.117 0.159 0.000 0.987 803 I CA -1.111 60.212 61.300 0.039 0.000 1.180 803 I CB 0.592 38.575 38.000 -0.029 0.000 1.340 803 I HN 0.007 nan 8.210 nan 0.000 0.455 804 F N 4.236 124.011 119.950 -0.291 0.000 2.711 804 F HA 0.693 5.219 4.527 -0.001 0.000 0.313 804 F C -1.956 173.489 175.800 -0.591 0.000 1.141 804 F CA -1.174 56.674 58.000 -0.254 0.000 0.941 804 F CB 1.603 40.526 39.000 -0.130 0.000 1.349 804 F HN 0.155 nan 8.300 nan 0.000 0.464 805 Y N 0.199 120.254 120.300 -0.410 0.000 2.462 805 Y HA 0.683 5.232 4.550 -0.001 0.000 0.346 805 Y C 0.058 175.788 175.900 -0.284 0.000 0.976 805 Y CA -0.764 56.974 58.100 -0.604 0.000 1.044 805 Y CB 2.423 40.141 38.460 -1.237 0.000 1.230 805 Y HN 0.856 nan 8.280 nan 0.000 0.455 806 T N -1.476 113.002 114.554 -0.126 0.000 2.901 806 T HA 0.503 4.853 4.350 -0.001 0.000 0.293 806 T C -1.100 173.422 174.700 -0.297 0.000 1.084 806 T CA -1.069 60.982 62.100 -0.082 0.000 1.008 806 T CB 2.052 70.841 68.868 -0.132 0.000 1.170 806 T HN 0.577 nan 8.240 nan 0.000 0.509 807 D N 0.887 120.955 120.400 -0.553 0.000 2.332 807 D HA 0.392 5.032 4.640 -0.001 0.000 0.252 807 D C -0.639 175.390 176.300 -0.452 0.000 1.050 807 D CA -0.846 52.636 54.000 -0.864 0.000 0.970 807 D CB 1.321 41.343 40.800 -1.297 0.000 1.141 807 D HN 0.553 nan 8.370 nan 0.000 0.485 808 L N 0.900 121.903 121.223 -0.366 0.000 2.316 808 L HA 0.226 4.566 4.340 -0.001 0.000 0.280 808 L C -0.179 176.568 176.870 -0.205 0.000 1.006 808 L CA -0.759 53.956 54.840 -0.209 0.000 0.836 808 L CB 0.378 42.380 42.059 -0.095 0.000 1.221 808 L HN 0.452 nan 8.230 nan 0.000 0.418 809 N N 2.148 120.727 118.700 -0.201 0.000 2.725 809 N HA -0.221 4.518 4.740 -0.001 0.000 0.249 809 N C 0.982 176.272 175.510 -0.367 0.000 1.103 809 N CA 0.839 53.767 53.050 -0.203 0.000 0.707 809 N CB -1.078 37.374 38.487 -0.058 0.000 1.043 809 N HN 1.069 nan 8.380 nan 0.000 0.553 810 G N -1.421 107.155 108.800 -0.373 0.000 2.187 810 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.261 810 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.261 810 G C 0.653 175.525 174.900 -0.046 0.000 1.000 810 G CA 0.777 45.677 45.100 -0.333 0.000 0.718 810 G HN 0.524 nan 8.290 nan 0.000 0.519 811 L N -0.620 120.528 121.223 -0.126 0.000 2.500 811 L HA 0.495 4.835 4.340 -0.001 0.000 0.219 811 L C 0.952 177.704 176.870 -0.197 0.000 1.057 811 L CA 1.859 56.545 54.840 -0.257 0.000 0.854 811 L CB 0.164 41.923 42.059 -0.500 0.000 1.078 811 L HN 0.707 nan 8.230 nan 0.000 0.480 812 Q N -1.864 117.825 119.800 -0.185 0.000 2.575 812 Q HA 0.354 4.693 4.340 -0.001 0.000 0.290 812 Q C -1.698 174.193 176.000 -0.180 0.000 0.963 812 Q CA -0.763 54.993 55.803 -0.079 0.000 0.783 812 Q CB 1.076 29.817 28.738 0.005 0.000 1.467 812 Q HN -0.041 nan 8.270 nan 0.000 0.402 813 F N 1.114 121.016 119.950 -0.080 0.000 2.458 813 F HA 0.623 5.150 4.527 -0.001 0.000 0.336 813 F C -0.231 175.533 175.800 -0.060 0.000 1.114 813 F CA -0.841 57.129 58.000 -0.050 0.000 0.987 813 F CB 1.792 40.812 39.000 0.033 0.000 1.130 813 F HN 0.542 nan 8.300 nan 0.000 0.458 814 I N 3.505 124.079 120.570 0.006 0.000 2.530 814 I HA 0.359 4.529 4.170 -0.001 0.000 0.297 814 I C -0.597 175.386 176.117 -0.225 0.000 1.011 814 I CA -0.891 60.364 61.300 -0.075 0.000 1.107 814 I CB 1.427 39.329 38.000 -0.163 0.000 1.285 814 I HN 0.507 nan 8.210 nan 0.000 0.436 815 K N 6.500 126.718 120.400 -0.303 0.000 2.322 815 K HA 0.311 4.631 4.320 -0.001 0.000 0.283 815 K C -0.893 175.247 176.600 -0.766 0.000 1.042 815 K CA -0.429 55.395 56.287 -0.773 0.000 0.958 815 K CB 0.555 32.738 32.500 -0.528 0.000 0.984 815 K HN 0.505 nan 8.250 nan 0.000 0.473 816 R N 3.127 122.991 120.500 -1.060 0.000 2.711 816 R HA 0.356 4.696 4.340 -0.001 0.000 0.284 816 R C -0.571 175.244 176.300 -0.808 0.000 0.968 816 R CA -0.810 54.613 56.100 -1.129 0.000 0.924 816 R CB 1.582 30.650 30.300 -2.052 0.000 1.162 816 R HN 0.673 nan 8.270 nan 0.000 0.465 817 R N 1.598 121.849 120.500 -0.414 0.000 2.451 817 R HA 0.274 4.614 4.340 -0.001 0.000 0.307 817 R C -0.519 175.846 176.300 0.108 0.000 0.965 817 R CA -0.643 55.387 56.100 -0.117 0.000 0.865 817 R CB 1.372 31.633 30.300 -0.064 0.000 1.174 817 R HN 0.541 nan 8.270 nan 0.000 0.455 818 R N 4.832 125.502 120.500 0.282 0.000 2.502 818 R HA 0.057 4.396 4.340 -0.001 0.000 0.292 818 R C -0.885 175.503 176.300 0.148 0.000 0.998 818 R CA 0.384 56.666 56.100 0.303 0.000 1.056 818 R CB 0.354 30.793 30.300 0.233 0.000 0.939 818 R HN 0.538 nan 8.270 nan 0.000 0.411 819 L N 5.225 126.512 121.223 0.107 0.000 2.316 819 L HA 0.209 4.548 4.340 -0.001 0.000 0.280 819 L C 0.290 177.148 176.870 -0.019 0.000 1.006 819 L CA -0.669 54.186 54.840 0.026 0.000 0.836 819 L CB 1.889 43.931 42.059 -0.028 0.000 1.221 819 L HN 0.651 nan 8.230 nan 0.000 0.418 820 D N 1.704 122.100 120.400 -0.006 0.000 2.348 820 D HA -0.118 4.521 4.640 -0.001 0.000 0.216 820 D C 1.682 177.959 176.300 -0.038 0.000 0.970 820 D CA 0.805 54.796 54.000 -0.015 0.000 0.889 820 D CB 0.345 41.146 40.800 0.002 0.000 0.912 820 D HN 0.557 nan 8.370 nan 0.000 0.524 821 K N 0.313 120.681 120.400 -0.053 0.000 2.555 821 K HA 0.018 4.338 4.320 -0.001 0.000 0.193 821 K C 0.603 177.130 176.600 -0.123 0.000 1.032 821 K CA 0.336 56.586 56.287 -0.062 0.000 1.004 821 K CB 0.301 32.777 32.500 -0.040 0.000 0.804 821 K HN 0.113 nan 8.250 nan 0.000 0.496 822 L N 2.146 123.263 121.223 -0.177 0.000 2.333 822 L HA 0.470 4.810 4.340 -0.001 0.000 0.269 822 L C -2.286 174.468 176.870 -0.193 0.000 1.010 822 L CA -2.944 51.746 54.840 -0.250 0.000 0.818 822 L CB 1.617 43.424 42.059 -0.419 0.000 1.306 822 L HN -0.065 nan 8.230 nan 0.000 0.430 823 P HA 0.009 nan 4.420 nan 0.000 0.272 823 P C 0.866 178.034 177.300 -0.221 0.000 1.240 823 P CA -0.327 62.671 63.100 -0.170 0.000 0.791 823 P CB 1.300 32.931 31.700 -0.115 0.000 0.978 824 L N 1.042 122.166 121.223 -0.165 0.000 2.021 824 L HA -0.282 4.057 4.340 -0.001 0.000 0.215 824 L C 2.558 179.325 176.870 -0.170 0.000 1.074 824 L CA 1.909 56.671 54.840 -0.129 0.000 0.760 824 L CB -0.619 41.363 42.059 -0.128 0.000 0.889 824 L HN 0.437 nan 8.230 nan 0.000 0.433 825 Q N -0.420 119.171 119.800 -0.350 0.000 2.291 825 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 825 Q C 1.909 177.811 176.000 -0.164 0.000 0.976 825 Q CA 1.502 57.133 55.803 -0.286 0.000 0.875 825 Q CB -0.530 27.990 28.738 -0.362 0.000 0.927 825 Q HN 0.608 nan 8.270 nan 0.000 0.450 826 A N 1.566 124.065 122.820 -0.534 0.000 2.067 826 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 826 A C 1.657 179.059 177.584 -0.302 0.000 1.156 826 A CA 0.729 52.291 52.037 -0.791 0.000 0.683 826 A CB -0.201 17.850 19.000 -1.581 0.000 0.808 826 A HN 0.343 nan 8.150 nan 0.000 0.455 827 N N -1.100 117.529 118.700 -0.118 0.000 2.398 827 N HA 0.038 4.778 4.740 -0.001 0.000 0.188 827 N C -0.818 174.772 175.510 0.134 0.000 1.122 827 N CA 0.232 53.327 53.050 0.075 0.000 0.866 827 N CB 0.041 38.620 38.487 0.154 0.000 0.970 827 N HN 0.453 nan 8.380 nan 0.000 0.462 828 Y N 0.299 120.550 120.300 -0.081 0.000 2.304 828 Y HA 0.206 4.756 4.550 -0.001 0.000 0.328 828 Y C -0.169 175.654 175.900 -0.128 0.000 1.123 828 Y CA -0.192 57.945 58.100 0.062 0.000 1.218 828 Y CB 0.379 38.957 38.460 0.197 0.000 1.207 828 Y HN -0.068 nan 8.280 nan 0.000 0.495 829 Y N 3.107 123.570 120.300 0.272 0.000 2.605 829 Y HA 0.453 5.003 4.550 -0.001 0.000 0.343 829 Y C -2.315 173.295 175.900 -0.483 0.000 1.036 829 Y CA -2.878 55.226 58.100 0.007 0.000 1.065 829 Y CB 1.538 39.983 38.460 -0.025 0.000 1.288 829 Y HN 0.449 nan 8.280 nan 0.000 0.481 830 P HA 0.125 nan 4.420 nan 0.000 0.271 830 P C -0.732 176.327 177.300 -0.401 0.000 1.216 830 P CA 0.219 62.724 63.100 -0.991 0.000 0.776 830 P CB 0.545 31.587 31.700 -1.097 0.000 0.881 831 I N 4.833 125.250 120.570 -0.255 0.000 2.697 831 I HA 0.163 4.333 4.170 -0.001 0.000 0.279 831 I C -1.669 174.374 176.117 -0.124 0.000 1.171 831 I CA -2.440 58.783 61.300 -0.128 0.000 1.135 831 I CB 0.889 38.875 38.000 -0.023 0.000 1.445 831 I HN 0.214 nan 8.210 nan 0.000 0.541 832 P HA -0.073 nan 4.420 nan 0.000 0.221 832 P C 0.972 178.233 177.300 -0.065 0.000 1.150 832 P CA 1.250 64.269 63.100 -0.135 0.000 0.800 832 P CB 0.610 32.198 31.700 -0.186 0.000 0.787 833 S N -3.489 112.178 115.700 -0.054 0.000 2.551 833 S HA 0.448 4.917 4.470 -0.001 0.000 0.276 833 S C 0.544 175.230 174.600 0.143 0.000 1.051 833 S CA 0.274 58.501 58.200 0.045 0.000 1.377 833 S CB 0.351 63.594 63.200 0.071 0.000 1.208 833 S HN 0.332 nan 8.310 nan 0.000 0.656 834 G N 1.645 110.534 108.800 0.147 0.000 2.489 834 G HA2 0.564 4.524 3.960 -0.001 0.000 0.291 834 G HA3 0.564 4.524 3.960 -0.001 0.000 0.291 834 G C -1.435 173.721 174.900 0.428 0.000 1.487 834 G CA -0.483 44.836 45.100 0.365 0.000 0.795 834 G HN 0.842 nan 8.290 nan 0.000 0.513 835 M N -0.391 119.478 119.600 0.448 0.000 2.520 835 M HA 0.897 5.377 4.480 -0.001 0.000 0.280 835 M C -1.744 174.799 176.300 0.404 0.000 1.232 835 M CA -1.029 54.496 55.300 0.374 0.000 0.892 835 M CB 2.581 35.314 32.600 0.222 0.000 1.728 835 M HN 1.195 nan 8.290 nan 0.000 0.475 836 F N 0.959 121.059 119.950 0.251 0.000 2.668 836 F HA 0.897 5.423 4.527 -0.001 0.000 0.309 836 F C -1.913 174.024 175.800 0.228 0.000 1.117 836 F CA -1.183 56.904 58.000 0.145 0.000 0.951 836 F CB 1.081 40.078 39.000 -0.005 0.000 1.323 836 F HN 0.778 nan 8.300 nan 0.000 0.451 837 I N -0.063 120.748 120.570 0.400 0.000 2.892 837 I HA 0.901 5.071 4.170 -0.001 0.000 0.306 837 I C -1.356 174.960 176.117 0.331 0.000 1.078 837 I CA -0.941 60.555 61.300 0.327 0.000 1.032 837 I CB 2.395 40.503 38.000 0.180 0.000 1.229 837 I HN 0.953 nan 8.210 nan 0.000 0.435 838 E N 1.709 122.082 120.200 0.288 0.000 2.423 838 E HA 0.514 4.863 4.350 -0.001 0.000 0.280 838 E C -2.094 174.593 176.600 0.145 0.000 1.030 838 E CA -0.842 55.673 56.400 0.190 0.000 0.812 838 E CB 2.159 31.969 29.700 0.183 0.000 1.313 838 E HN 0.735 nan 8.360 nan 0.000 0.456 839 D N 0.622 121.077 120.400 0.090 0.000 2.808 839 D HA 0.468 5.108 4.640 -0.001 0.000 0.249 839 D C 0.904 177.235 176.300 0.053 0.000 1.151 839 D CA -0.149 53.896 54.000 0.075 0.000 1.089 839 D CB -0.040 40.795 40.800 0.060 0.000 1.295 839 D HN 0.454 nan 8.370 nan 0.000 0.631 840 A N -0.751 122.093 122.820 0.040 0.000 2.019 840 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 840 A C 1.499 179.088 177.584 0.009 0.000 1.164 840 A CA 1.515 53.567 52.037 0.025 0.000 0.644 840 A CB -0.704 18.309 19.000 0.022 0.000 0.805 840 A HN 0.507 nan 8.150 nan 0.000 0.449 841 N N -1.689 117.015 118.700 0.007 0.000 2.460 841 N HA 0.066 4.806 4.740 -0.001 0.000 0.193 841 N C -0.308 175.191 175.510 -0.017 0.000 1.080 841 N CA 0.816 53.862 53.050 -0.007 0.000 0.869 841 N CB 0.482 38.966 38.487 -0.005 0.000 1.201 841 N HN 0.313 nan 8.380 nan 0.000 0.457 842 T N 0.639 115.189 114.554 -0.007 0.000 2.893 842 T HA 0.501 4.850 4.350 -0.001 0.000 0.291 842 T C -0.436 174.258 174.700 -0.010 0.000 1.028 842 T CA -0.664 61.425 62.100 -0.018 0.000 0.995 842 T CB 2.859 71.720 68.868 -0.012 0.000 1.051 842 T HN -0.016 nan 8.240 nan 0.000 0.470 843 R N 1.653 122.130 120.500 -0.038 0.000 2.744 843 R HA 0.742 5.082 4.340 -0.001 0.000 0.279 843 R C -2.029 174.251 176.300 -0.034 0.000 0.977 843 R CA -0.903 55.180 56.100 -0.029 0.000 0.906 843 R CB 1.319 31.537 30.300 -0.136 0.000 1.197 843 R HN 0.465 nan 8.270 nan 0.000 0.463 844 L N 2.354 123.589 121.223 0.021 0.000 2.381 844 L HA 0.533 4.873 4.340 -0.001 0.000 0.274 844 L C -1.419 175.494 176.870 0.072 0.000 0.988 844 L CA 0.090 54.933 54.840 0.005 0.000 0.824 844 L CB 2.375 44.426 42.059 -0.012 0.000 1.263 844 L HN 0.674 nan 8.230 nan 0.000 0.410 845 T N 5.665 120.241 114.554 0.036 0.000 2.824 845 T HA 0.577 4.927 4.350 -0.001 0.000 0.282 845 T C -1.140 173.629 174.700 0.115 0.000 0.993 845 T CA -0.286 61.877 62.100 0.105 0.000 0.967 845 T CB 1.443 70.299 68.868 -0.020 0.000 0.960 845 T HN 0.484 nan 8.240 nan 0.000 0.441 846 L N 4.989 126.319 121.223 0.177 0.000 2.298 846 L HA 0.581 4.920 4.340 -0.001 0.000 0.284 846 L C -1.387 175.635 176.870 0.253 0.000 1.013 846 L CA -0.695 54.259 54.840 0.191 0.000 0.824 846 L CB 0.580 42.733 42.059 0.156 0.000 1.221 846 L HN 0.411 nan 8.230 nan 0.000 0.418 847 L N 3.833 125.209 121.223 0.255 0.000 2.334 847 L HA 0.670 5.010 4.340 -0.001 0.000 0.275 847 L C 0.467 177.493 176.870 0.260 0.000 1.036 847 L CA -0.305 54.681 54.840 0.245 0.000 0.807 847 L CB 1.571 43.738 42.059 0.181 0.000 1.231 847 L HN 0.776 nan 8.230 nan 0.000 0.438 848 T N -2.437 112.220 114.554 0.171 0.000 2.908 848 T HA 0.641 4.990 4.350 -0.001 0.000 0.290 848 T C 0.604 175.268 174.700 -0.060 0.000 1.034 848 T CA -0.294 61.817 62.100 0.018 0.000 1.010 848 T CB 1.969 70.851 68.868 0.024 0.000 1.068 848 T HN 0.684 nan 8.240 nan 0.000 0.481 849 G N 1.235 109.923 108.800 -0.186 0.000 3.434 849 G HA2 0.436 4.396 3.960 -0.001 0.000 0.258 849 G HA3 0.436 4.396 3.960 -0.001 0.000 0.258 849 G C 0.090 174.935 174.900 -0.092 0.000 1.128 849 G CA -0.384 44.650 45.100 -0.109 0.000 0.792 849 G HN 0.954 nan 8.290 nan 0.000 0.539 850 Q N -0.155 119.583 119.800 -0.105 0.000 2.479 850 Q HA 0.309 4.649 4.340 -0.001 0.000 0.276 850 Q C -3.557 172.410 176.000 -0.054 0.000 0.989 850 Q CA -2.193 53.575 55.803 -0.059 0.000 0.864 850 Q CB 1.922 30.643 28.738 -0.029 0.000 1.444 850 Q HN 0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.483 nan 4.420 nan 0.000 0.281 851 P C -0.700 176.592 177.300 -0.013 0.000 1.252 851 P CA -0.200 62.884 63.100 -0.027 0.000 0.778 851 P CB 1.076 32.763 31.700 -0.023 0.000 0.895 852 L N 1.714 122.925 121.223 -0.021 0.000 2.403 852 L HA 0.682 5.021 4.340 -0.001 0.000 0.253 852 L C 0.735 177.628 176.870 0.039 0.000 1.045 852 L CA -1.136 53.717 54.840 0.021 0.000 0.845 852 L CB 2.203 44.261 42.059 -0.002 0.000 1.447 852 L HN 0.350 nan 8.230 nan 0.000 0.411 853 G N -0.953 107.928 108.800 0.135 0.000 2.425 853 G HA2 0.689 4.649 3.960 -0.001 0.000 0.302 853 G HA3 0.689 4.649 3.960 -0.001 0.000 0.302 853 G C -0.509 174.414 174.900 0.039 0.000 1.159 853 G CA 0.078 45.307 45.100 0.215 0.000 0.865 853 G HN 0.864 nan 8.290 nan 0.000 0.515 854 G N -1.432 107.208 108.800 -0.267 0.000 2.606 854 G HA2 0.706 4.666 3.960 -0.001 0.000 0.300 854 G HA3 0.706 4.666 3.960 -0.001 0.000 0.300 854 G C -1.100 173.343 174.900 -0.762 0.000 1.360 854 G CA 0.484 45.225 45.100 -0.599 0.000 0.783 854 G HN 1.350 nan 8.290 nan 0.000 0.484 855 S N -2.072 113.276 115.700 -0.586 0.000 2.683 855 S HA 0.694 5.164 4.470 -0.001 0.000 0.269 855 S C -1.665 172.511 174.600 -0.706 0.000 1.165 855 S CA 0.432 58.286 58.200 -0.576 0.000 0.840 855 S CB 1.134 64.057 63.200 -0.461 0.000 1.169 855 S HN 1.626 nan 8.310 nan 0.000 0.490 856 S N 1.544 116.570 115.700 -1.124 0.000 2.652 856 S HA 0.461 4.931 4.470 -0.001 0.000 0.252 856 S C 0.129 174.461 174.600 -0.447 0.000 1.219 856 S CA -0.623 57.135 58.200 -0.736 0.000 1.151 856 S CB -0.048 62.642 63.200 -0.850 0.000 1.080 856 S HN 0.570 nan 8.310 nan 0.000 0.481 857 L N 2.905 124.015 121.223 -0.189 0.000 2.599 857 L HA 0.470 4.810 4.340 -0.001 0.000 0.230 857 L C 0.889 177.742 176.870 -0.027 0.000 1.141 857 L CA 0.335 55.143 54.840 -0.053 0.000 0.877 857 L CB -0.082 42.006 42.059 0.048 0.000 1.009 857 L HN 0.691 nan 8.230 nan 0.000 0.447 858 A N -1.151 121.641 122.820 -0.046 0.000 2.604 858 A HA 0.445 4.765 4.320 -0.001 0.000 0.295 858 A C -0.406 177.169 177.584 -0.015 0.000 1.067 858 A CA -0.454 51.574 52.037 -0.015 0.000 0.683 858 A CB 1.224 20.221 19.000 -0.005 0.000 1.281 858 A HN -0.124 nan 8.150 nan 0.000 0.407 859 S N 0.118 115.824 115.700 0.009 0.000 2.558 859 S HA 0.399 4.869 4.470 -0.001 0.000 0.293 859 S C 1.526 176.142 174.600 0.027 0.000 1.292 859 S CA 1.859 60.074 58.200 0.025 0.000 1.063 859 S CB -0.029 63.190 63.200 0.032 0.000 0.831 859 S HN 2.677 nan 8.310 nan 0.000 0.499 860 G N 3.341 112.162 108.800 0.035 0.000 2.179 860 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.260 860 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.260 860 G C -0.155 174.746 174.900 0.001 0.000 0.977 860 G CA 0.492 45.614 45.100 0.038 0.000 0.641 860 G HN 0.731 nan 8.290 nan 0.000 0.533 861 E N -0.586 119.599 120.200 -0.025 0.000 2.222 861 E HA 0.797 5.147 4.350 -0.001 0.000 0.267 861 E C -0.261 176.282 176.600 -0.095 0.000 0.963 861 E CA -0.774 55.590 56.400 -0.061 0.000 0.837 861 E CB 1.850 31.512 29.700 -0.063 0.000 1.183 861 E HN 0.229 nan 8.360 nan 0.000 0.403 862 L N 1.643 122.807 121.223 -0.098 0.000 2.445 862 L HA 0.443 4.782 4.340 -0.001 0.000 0.262 862 L C -0.798 176.015 176.870 -0.096 0.000 0.974 862 L CA -0.627 54.148 54.840 -0.108 0.000 0.822 862 L CB 2.121 44.148 42.059 -0.053 0.000 1.339 862 L HN 0.677 nan 8.230 nan 0.000 0.409 863 E N 3.242 123.377 120.200 -0.108 0.000 2.390 863 E HA 0.741 5.091 4.350 -0.001 0.000 0.277 863 E C -1.521 175.045 176.600 -0.056 0.000 0.939 863 E CA -0.867 55.503 56.400 -0.050 0.000 0.769 863 E CB 3.463 33.177 29.700 0.024 0.000 1.251 863 E HN 0.533 nan 8.360 nan 0.000 0.450 864 I N 2.040 122.615 120.570 0.008 0.000 2.610 864 I HA 0.301 4.470 4.170 -0.001 0.000 0.289 864 I C -1.483 174.707 176.117 0.122 0.000 1.163 864 I CA -1.133 60.189 61.300 0.037 0.000 1.044 864 I CB 1.960 39.983 38.000 0.038 0.000 1.251 864 I HN 0.782 nan 8.210 nan 0.000 0.424 865 M N 6.414 126.126 119.600 0.186 0.000 2.239 865 M HA 0.190 4.669 4.480 -0.001 0.000 0.348 865 M C 0.643 177.051 176.300 0.180 0.000 1.239 865 M CA 0.663 56.080 55.300 0.195 0.000 1.114 865 M CB 0.847 33.533 32.600 0.142 0.000 1.641 865 M HN 0.583 nan 8.290 nan 0.000 0.453 866 Q N 1.555 121.496 119.800 0.234 0.000 2.200 866 Q HA 0.227 4.566 4.340 -0.001 0.000 0.197 866 Q C -0.201 176.019 176.000 0.367 0.000 0.953 866 Q CA 0.913 56.922 55.803 0.344 0.000 0.851 866 Q CB 0.301 29.276 28.738 0.394 0.000 0.938 866 Q HN 0.760 nan 8.270 nan 0.000 0.488 867 D N -0.916 119.629 120.400 0.241 0.000 2.653 867 D HA 0.274 4.914 4.640 -0.001 0.000 0.258 867 D C -1.398 174.980 176.300 0.130 0.000 1.252 867 D CA -0.486 53.631 54.000 0.195 0.000 0.777 867 D CB 1.518 42.421 40.800 0.173 0.000 1.339 867 D HN 0.038 nan 8.370 nan 0.000 0.422 868 R N 0.899 121.462 120.500 0.106 0.000 2.604 868 R HA 0.712 5.052 4.340 -0.001 0.000 0.281 868 R C -0.913 175.436 176.300 0.082 0.000 1.020 868 R CA -1.070 55.076 56.100 0.077 0.000 0.899 868 R CB 2.278 32.594 30.300 0.026 0.000 1.205 868 R HN 0.319 nan 8.270 nan 0.000 0.450 869 R N 3.654 124.200 120.500 0.077 0.000 2.473 869 R HA 0.427 4.767 4.340 -0.001 0.000 0.303 869 R C -1.519 174.820 176.300 0.065 0.000 1.002 869 R CA -0.549 55.593 56.100 0.070 0.000 0.884 869 R CB 1.194 31.534 30.300 0.066 0.000 1.173 869 R HN 0.704 nan 8.270 nan 0.000 0.464 870 L N 3.873 125.132 121.223 0.060 0.000 2.356 870 L HA 0.552 4.892 4.340 -0.001 0.000 0.277 870 L C 0.847 177.746 176.870 0.048 0.000 0.996 870 L CA -0.563 54.310 54.840 0.055 0.000 0.822 870 L CB 2.132 44.225 42.059 0.056 0.000 1.256 870 L HN 0.778 nan 8.230 nan 0.000 0.413 871 A N 1.565 124.410 122.820 0.042 0.000 2.067 871 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 871 A C 0.977 178.581 177.584 0.033 0.000 1.156 871 A CA 0.627 52.685 52.037 0.035 0.000 0.683 871 A CB -0.018 19.000 19.000 0.030 0.000 0.808 871 A HN 0.626 nan 8.150 nan 0.000 0.455 872 S N -0.215 115.506 115.700 0.033 0.000 2.651 872 S HA 0.420 4.890 4.470 -0.001 0.000 0.291 872 S C -0.613 174.009 174.600 0.037 0.000 1.141 872 S CA -0.644 57.574 58.200 0.030 0.000 1.027 872 S CB 1.463 64.677 63.200 0.023 0.000 1.043 872 S HN 0.498 nan 8.310 nan 0.000 0.530 873 D N 0.087 120.509 120.400 0.037 0.000 2.264 873 D HA 0.258 4.897 4.640 -0.001 0.000 0.249 873 D C -0.188 176.136 176.300 0.039 0.000 1.070 873 D CA -0.498 53.533 54.000 0.051 0.000 0.912 873 D CB 0.723 41.553 40.800 0.049 0.000 1.193 873 D HN 0.481 nan 8.370 nan 0.000 0.427 874 D N 2.000 122.430 120.400 0.049 0.000 2.463 874 D HA 0.061 4.700 4.640 -0.001 0.000 0.224 874 D C -0.375 175.898 176.300 -0.046 0.000 1.174 874 D CA -0.280 53.718 54.000 -0.002 0.000 0.829 874 D CB -0.432 40.358 40.800 -0.017 0.000 0.993 874 D HN 0.679 nan 8.370 nan 0.000 0.497 875 E N -0.183 120.014 120.200 -0.006 0.000 2.637 875 E HA -0.221 4.128 4.350 -0.001 0.000 0.265 875 E C 0.189 176.758 176.600 -0.051 0.000 1.073 875 E CA 0.172 56.564 56.400 -0.014 0.000 0.778 875 E CB -0.774 28.913 29.700 -0.022 0.000 1.362 875 E HN 0.207 nan 8.360 nan 0.000 0.413 876 R N -0.522 119.926 120.500 -0.087 0.000 2.546 876 R HA 0.203 4.543 4.340 -0.001 0.000 0.320 876 R C 1.355 177.722 176.300 0.113 0.000 1.021 876 R CA 0.628 56.594 56.100 -0.223 0.000 1.088 876 R CB 0.826 30.529 30.300 -0.996 0.000 1.278 876 R HN 0.436 nan 8.270 nan 0.000 0.557 877 G N 0.847 109.783 108.800 0.226 0.000 2.213 877 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.236 877 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.236 877 G C 0.778 175.829 174.900 0.252 0.000 0.991 877 G CA 0.324 45.639 45.100 0.359 0.000 0.629 877 G HN 0.339 nan 8.290 nan 0.000 0.517 878 L N 1.443 122.910 121.223 0.406 0.000 2.141 878 L HA 0.447 4.787 4.340 -0.001 0.000 0.209 878 L C 2.157 179.042 176.870 0.024 0.000 1.094 878 L CA 2.522 57.489 54.840 0.211 0.000 0.763 878 L CB -0.588 41.731 42.059 0.433 0.000 0.908 878 L HN 1.726 nan 8.230 nan 0.000 0.437 879 G N -0.182 108.658 108.800 0.066 0.000 2.221 879 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.265 879 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.265 879 G C 0.055 174.969 174.900 0.025 0.000 1.041 879 G CA 0.698 45.813 45.100 0.024 0.000 0.807 879 G HN 0.843 nan 8.290 nan 0.000 0.502 880 Q N -2.266 117.563 119.800 0.048 0.000 2.702 880 Q HA 0.654 4.993 4.340 -0.001 0.000 0.289 880 Q C 0.282 176.316 176.000 0.056 0.000 0.923 880 Q CA -0.584 55.244 55.803 0.043 0.000 0.787 880 Q CB 0.351 29.111 28.738 0.037 0.000 1.476 880 Q HN 1.003 nan 8.270 nan 0.000 0.402 881 G N 0.039 108.868 108.800 0.048 0.000 2.543 881 G HA2 0.546 4.506 3.960 -0.001 0.000 0.267 881 G HA3 0.546 4.506 3.960 -0.001 0.000 0.267 881 G C -0.981 173.952 174.900 0.055 0.000 1.406 881 G CA -0.683 44.448 45.100 0.051 0.000 1.048 881 G HN 0.416 nan 8.290 nan 0.000 0.548 882 V N 0.964 120.912 119.914 0.057 0.000 2.284 882 V HA 0.341 4.461 4.120 -0.001 0.000 0.274 882 V C 0.114 176.247 176.094 0.065 0.000 1.023 882 V CA -0.143 62.197 62.300 0.067 0.000 0.808 882 V CB 0.820 32.686 31.823 0.072 0.000 1.035 882 V HN 0.534 nan 8.190 nan 0.000 0.445 883 L N 3.340 124.599 121.223 0.061 0.000 3.229 883 L HA 0.316 4.656 4.340 -0.001 0.000 0.286 883 L C 0.545 177.446 176.870 0.053 0.000 1.239 883 L CA 0.011 54.883 54.840 0.053 0.000 1.035 883 L CB 0.685 42.770 42.059 0.042 0.000 1.408 883 L HN 0.663 nan 8.230 nan 0.000 0.593 884 D N -2.007 118.432 120.400 0.067 0.000 2.525 884 D HA 0.060 4.700 4.640 -0.001 0.000 0.229 884 D C 0.141 176.485 176.300 0.073 0.000 1.202 884 D CA -0.443 53.596 54.000 0.065 0.000 0.828 884 D CB -0.402 40.443 40.800 0.076 0.000 1.008 884 D HN 0.080 nan 8.370 nan 0.000 0.493 885 N N 1.598 120.340 118.700 0.070 0.000 2.395 885 N HA 0.148 4.887 4.740 -0.001 0.000 0.246 885 N C 0.150 175.674 175.510 0.023 0.000 1.246 885 N CA 0.270 53.361 53.050 0.069 0.000 0.879 885 N CB 0.668 39.195 38.487 0.067 0.000 1.098 885 N HN 0.318 nan 8.380 nan 0.000 0.444 886 K N -0.575 119.824 120.400 -0.001 0.000 2.532 886 K HA 0.531 4.850 4.320 -0.001 0.000 0.265 886 K C -3.280 173.294 176.600 -0.044 0.000 0.948 886 K CA -2.028 54.216 56.287 -0.072 0.000 0.842 886 K CB 1.297 33.671 32.500 -0.209 0.000 1.392 886 K HN 0.122 nan 8.250 nan 0.000 0.436 887 P HA -0.064 nan 4.420 nan 0.000 0.262 887 P C -0.999 176.321 177.300 0.033 0.000 1.182 887 P CA -0.357 62.728 63.100 -0.024 0.000 0.761 887 P CB 0.682 32.360 31.700 -0.036 0.000 0.795 888 V N 5.244 125.144 119.914 -0.022 0.000 2.841 888 V HA 0.520 4.639 4.120 -0.001 0.000 0.310 888 V C -1.381 174.589 176.094 -0.206 0.000 1.090 888 V CA -1.113 61.152 62.300 -0.058 0.000 0.930 888 V CB 2.164 33.934 31.823 -0.087 0.000 1.014 888 V HN 0.276 nan 8.190 nan 0.000 0.425 889 L N 6.700 127.827 121.223 -0.160 0.000 2.283 889 L HA 0.605 4.945 4.340 -0.001 0.000 0.281 889 L C -0.457 176.404 176.870 -0.016 0.000 1.033 889 L CA 0.081 54.864 54.840 -0.095 0.000 0.848 889 L CB 0.395 42.416 42.059 -0.063 0.000 1.226 889 L HN 0.714 nan 8.230 nan 0.000 0.429 890 H N 5.636 124.723 119.070 0.028 0.000 2.610 890 H HA 0.480 5.036 4.556 -0.001 0.000 0.336 890 H C -0.107 175.124 175.328 -0.162 0.000 1.087 890 H CA -0.145 55.862 56.048 -0.068 0.000 1.405 890 H CB 1.183 30.987 29.762 0.071 0.000 1.460 890 H HN 0.701 nan 8.280 nan 0.000 0.538 891 I N 0.316 120.719 120.570 -0.277 0.000 2.689 891 I HA 0.614 4.784 4.170 -0.001 0.000 0.299 891 I C -1.383 174.402 176.117 -0.553 0.000 1.059 891 I CA -0.948 60.219 61.300 -0.222 0.000 1.055 891 I CB 2.111 40.066 38.000 -0.074 0.000 1.243 891 I HN 0.228 nan 8.210 nan 0.000 0.425 892 Y N 2.341 122.691 120.300 0.084 0.000 2.655 892 Y HA 0.710 5.259 4.550 -0.001 0.000 0.336 892 Y C -0.640 175.314 175.900 0.090 0.000 1.154 892 Y CA -1.109 57.047 58.100 0.093 0.000 1.055 892 Y CB 1.453 39.987 38.460 0.123 0.000 1.295 892 Y HN 0.414 nan 8.280 nan 0.000 0.465 893 R N 1.379 122.045 120.500 0.277 0.000 2.621 893 R HA 0.580 4.920 4.340 -0.001 0.000 0.292 893 R C -1.934 174.483 176.300 0.195 0.000 0.969 893 R CA -1.078 55.134 56.100 0.187 0.000 0.887 893 R CB 2.426 32.796 30.300 0.116 0.000 1.180 893 R HN 0.659 nan 8.270 nan 0.000 0.450 894 L N 2.964 124.284 121.223 0.162 0.000 2.316 894 L HA 0.441 4.780 4.340 -0.001 0.000 0.280 894 L C -1.172 175.731 176.870 0.055 0.000 1.006 894 L CA -0.546 54.368 54.840 0.123 0.000 0.836 894 L CB 1.738 43.889 42.059 0.154 0.000 1.221 894 L HN 0.306 nan 8.230 nan 0.000 0.418 895 V N 6.191 126.121 119.914 0.026 0.000 2.350 895 V HA 0.402 4.522 4.120 -0.001 0.000 0.285 895 V C -0.329 175.739 176.094 -0.043 0.000 1.014 895 V CA -0.600 61.693 62.300 -0.011 0.000 0.831 895 V CB 1.346 33.154 31.823 -0.025 0.000 1.000 895 V HN 0.632 nan 8.190 nan 0.000 0.433 896 L N 5.452 126.643 121.223 -0.053 0.000 2.289 896 L HA 0.709 5.049 4.340 -0.001 0.000 0.285 896 L C -0.153 176.674 176.870 -0.073 0.000 1.049 896 L CA 0.630 55.428 54.840 -0.069 0.000 0.804 896 L CB 1.102 43.113 42.059 -0.080 0.000 1.195 896 L HN 0.753 nan 8.230 nan 0.000 0.428 897 E N 3.457 123.608 120.200 -0.082 0.000 2.413 897 E HA 0.461 4.810 4.350 -0.001 0.000 0.277 897 E C -1.293 175.260 176.600 -0.080 0.000 0.958 897 E CA -1.192 55.157 56.400 -0.085 0.000 0.779 897 E CB 1.492 31.127 29.700 -0.110 0.000 1.278 897 E HN 0.254 nan 8.360 nan 0.000 0.456 898 K N 1.313 121.670 120.400 -0.072 0.000 2.234 898 K HA 0.225 4.545 4.320 -0.001 0.000 0.282 898 K C 0.355 176.911 176.600 -0.074 0.000 1.039 898 K CA -0.232 56.017 56.287 -0.063 0.000 0.928 898 K CB 1.356 33.824 32.500 -0.053 0.000 1.039 898 K HN 0.476 nan 8.250 nan 0.000 0.470 899 V N -0.563 119.309 119.914 -0.071 0.000 3.253 899 V HA 0.022 4.142 4.120 -0.001 0.000 0.320 899 V C 1.180 177.239 176.094 -0.059 0.000 1.442 899 V CA -0.296 61.954 62.300 -0.083 0.000 1.097 899 V CB -0.349 31.409 31.823 -0.108 0.000 1.008 899 V HN 0.615 nan 8.190 nan 0.000 0.463 900 N N 1.406 120.080 118.700 -0.044 0.000 2.364 900 N HA -0.177 4.563 4.740 -0.001 0.000 0.183 900 N C 1.019 176.508 175.510 -0.035 0.000 1.022 900 N CA 1.581 54.612 53.050 -0.031 0.000 0.883 900 N CB -0.489 37.984 38.487 -0.024 0.000 0.965 900 N HN 0.542 nan 8.380 nan 0.000 0.438 901 N N -0.008 118.666 118.700 -0.044 0.000 2.280 901 N HA 0.078 4.817 4.740 -0.001 0.000 0.192 901 N C -0.327 175.152 175.510 -0.053 0.000 1.109 901 N CA -0.124 52.899 53.050 -0.044 0.000 0.855 901 N CB 0.172 38.632 38.487 -0.044 0.000 0.974 901 N HN 0.200 nan 8.380 nan 0.000 0.482 902 c N 1.422 119.984 118.600 -0.063 0.000 2.593 902 c HA 0.247 4.816 4.570 -0.001 0.000 0.409 902 c C 1.078 175.129 174.090 -0.065 0.000 1.304 902 c CA -0.932 55.352 56.329 -0.076 0.000 2.007 902 c CB 0.647 43.098 42.510 -0.098 0.000 2.614 902 c HN 0.010 nan 8.230 nan 0.000 0.585 903 V N 5.846 125.717 119.914 -0.071 0.000 2.397 903 V HA 0.188 4.308 4.120 -0.001 0.000 0.262 903 V C 0.666 176.721 176.094 -0.064 0.000 1.047 903 V CA 0.460 62.723 62.300 -0.062 0.000 1.003 903 V CB -0.652 31.130 31.823 -0.070 0.000 1.037 903 V HN 0.804 nan 8.190 nan 0.000 0.480 904 R N 4.731 125.206 120.500 -0.041 0.000 2.782 904 R HA 0.567 4.907 4.340 -0.001 0.000 0.258 904 R C -2.450 173.844 176.300 -0.011 0.000 1.055 904 R CA -1.845 54.239 56.100 -0.027 0.000 1.065 904 R CB 1.003 31.293 30.300 -0.017 0.000 1.172 904 R HN 0.398 nan 8.270 nan 0.000 0.510 905 P HA 0.001 nan 4.420 nan 0.000 0.272 905 P C -0.465 176.875 177.300 0.066 0.000 1.230 905 P CA -0.342 62.743 63.100 -0.024 0.000 0.788 905 P CB 0.652 32.257 31.700 -0.159 0.000 0.949 906 S N 0.826 116.593 115.700 0.112 0.000 2.596 906 S HA 0.080 4.549 4.470 -0.001 0.000 0.260 906 S C 1.059 175.740 174.600 0.136 0.000 1.336 906 S CA -0.193 58.074 58.200 0.112 0.000 0.993 906 S CB 0.280 63.547 63.200 0.112 0.000 0.923 906 S HN 0.317 nan 8.310 nan 0.000 0.567 907 K N 0.321 120.784 120.400 0.104 0.000 2.281 907 K HA 0.011 4.330 4.320 -0.001 0.000 0.203 907 K C 1.419 178.079 176.600 0.099 0.000 1.046 907 K CA 1.167 57.514 56.287 0.099 0.000 0.938 907 K CB -0.582 31.960 32.500 0.070 0.000 0.737 907 K HN 0.549 nan 8.250 nan 0.000 0.458 908 L N 0.047 121.332 121.223 0.102 0.000 2.592 908 L HA 0.050 4.390 4.340 -0.001 0.000 0.227 908 L C 1.011 177.936 176.870 0.093 0.000 1.127 908 L CA -0.224 54.661 54.840 0.075 0.000 0.884 908 L CB -0.215 41.873 42.059 0.049 0.000 1.065 908 L HN 0.232 nan 8.230 nan 0.000 0.457 909 H N 2.545 121.655 119.070 0.067 0.000 2.722 909 H HA 0.105 4.661 4.556 -0.001 0.000 0.328 909 H C -1.739 173.633 175.328 0.074 0.000 1.067 909 H CA -1.424 54.677 56.048 0.088 0.000 1.447 909 H CB 1.841 31.682 29.762 0.131 0.000 1.469 909 H HN -0.079 nan 8.280 nan 0.000 0.544 910 P HA 0.157 nan 4.420 nan 0.000 0.249 910 P C -0.396 177.020 177.300 0.193 0.000 1.229 910 P CA 0.134 63.280 63.100 0.077 0.000 0.788 910 P CB 0.497 32.166 31.700 -0.051 0.000 1.072 911 A N -0.354 122.758 122.820 0.486 0.000 2.288 911 A HA 0.785 5.105 4.320 -0.001 0.000 0.328 911 A C 0.225 177.874 177.584 0.109 0.000 1.123 911 A CA -0.338 51.846 52.037 0.245 0.000 0.861 911 A CB 0.987 20.131 19.000 0.239 0.000 1.272 911 A HN 0.161 nan 8.150 nan 0.000 0.490 912 G N -1.585 107.124 108.800 -0.153 0.000 2.642 912 G HA2 0.622 4.581 3.960 -0.001 0.000 0.293 912 G HA3 0.622 4.581 3.960 -0.001 0.000 0.293 912 G C -1.836 172.678 174.900 -0.642 0.000 1.341 912 G CA -0.374 44.563 45.100 -0.273 0.000 0.916 912 G HN 0.541 nan 8.290 nan 0.000 0.474 913 Y N -0.609 119.647 120.300 -0.074 0.000 2.524 913 Y HA 0.504 5.054 4.550 -0.001 0.000 0.347 913 Y C 0.462 176.118 175.900 -0.407 0.000 1.005 913 Y CA -0.922 57.069 58.100 -0.183 0.000 1.025 913 Y CB 2.157 40.502 38.460 -0.191 0.000 1.275 913 Y HN 0.352 nan 8.280 nan 0.000 0.460 914 L N 1.779 122.844 121.223 -0.263 0.000 2.475 914 L HA 0.402 4.742 4.340 -0.001 0.000 0.253 914 L C 0.608 177.327 176.870 -0.251 0.000 1.198 914 L CA -0.533 54.071 54.840 -0.394 0.000 0.814 914 L CB 0.684 42.585 42.059 -0.262 0.000 1.134 914 L HN 0.748 nan 8.230 nan 0.000 0.478 915 T N -3.222 111.179 114.554 -0.255 0.000 2.881 915 T HA 0.103 4.452 4.350 -0.001 0.000 0.278 915 T C 1.022 175.669 174.700 -0.089 0.000 0.982 915 T CA -0.211 61.783 62.100 -0.176 0.000 0.989 915 T CB 1.618 70.376 68.868 -0.183 0.000 1.058 915 T HN 0.603 nan 8.240 nan 0.000 0.529 916 S N 0.556 116.215 115.700 -0.069 0.000 2.370 916 S HA -0.133 4.336 4.470 -0.001 0.000 0.226 916 S C 2.318 176.929 174.600 0.019 0.000 1.033 916 S CA 1.393 59.586 58.200 -0.011 0.000 1.011 916 S CB -1.189 61.985 63.200 -0.042 0.000 0.852 916 S HN 0.914 nan 8.310 nan 0.000 0.457 917 A N 1.180 123.986 122.820 -0.024 0.000 1.930 917 A HA 0.280 4.600 4.320 -0.001 0.000 0.217 917 A C 2.473 180.052 177.584 -0.008 0.000 1.175 917 A CA 1.763 53.790 52.037 -0.017 0.000 0.627 917 A CB -1.314 17.664 19.000 -0.036 0.000 0.815 917 A HN 0.823 nan 8.150 nan 0.000 0.443 918 A N -1.422 121.378 122.820 -0.032 0.000 1.929 918 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 918 A C 2.106 179.717 177.584 0.044 0.000 1.176 918 A CA 1.562 53.582 52.037 -0.028 0.000 0.628 918 A CB -0.860 18.063 19.000 -0.128 0.000 0.816 918 A HN 0.776 nan 8.150 nan 0.000 0.444 919 H N -0.039 119.015 119.070 -0.027 0.000 2.333 919 H HA -0.010 4.546 4.556 -0.001 0.000 0.302 919 H C 1.812 177.177 175.328 0.062 0.000 1.075 919 H CA 1.699 57.768 56.048 0.035 0.000 1.348 919 H CB -0.050 29.727 29.762 0.026 0.000 1.393 919 H HN 0.420 nan 8.280 nan 0.000 0.509 920 K N 0.282 120.656 120.400 -0.043 0.000 2.147 920 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 920 K C 2.359 178.927 176.600 -0.054 0.000 1.049 920 K CA 0.853 57.094 56.287 -0.077 0.000 0.936 920 K CB -0.031 32.475 32.500 0.010 0.000 0.722 920 K HN 0.271 nan 8.250 nan 0.000 0.446 921 A N 0.780 123.591 122.820 -0.016 0.000 1.902 921 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 921 A C 2.205 179.794 177.584 0.008 0.000 1.181 921 A CA 2.054 54.097 52.037 0.009 0.000 0.623 921 A CB -0.647 18.372 19.000 0.032 0.000 0.818 921 A HN 0.276 nan 8.150 nan 0.000 0.443 922 S N -0.714 114.991 115.700 0.008 0.000 2.368 922 S HA -0.215 4.255 4.470 -0.001 0.000 0.224 922 S C 2.138 176.726 174.600 -0.019 0.000 1.029 922 S CA 1.634 59.856 58.200 0.037 0.000 0.988 922 S CB -0.393 62.872 63.200 0.109 0.000 0.838 922 S HN 0.679 nan 8.310 nan 0.000 0.462 923 Q N 0.700 120.440 119.800 -0.101 0.000 2.170 923 Q HA -0.088 4.251 4.340 -0.001 0.000 0.203 923 Q C 2.486 178.441 176.000 -0.075 0.000 0.976 923 Q CA 1.672 57.420 55.803 -0.093 0.000 0.858 923 Q CB -0.331 28.333 28.738 -0.123 0.000 0.907 923 Q HN 0.799 nan 8.270 nan 0.000 0.433 924 S N 0.352 116.019 115.700 -0.055 0.000 2.419 924 S HA -0.092 4.377 4.470 -0.001 0.000 0.233 924 S C 1.855 176.413 174.600 -0.071 0.000 1.016 924 S CA 0.739 58.905 58.200 -0.056 0.000 0.974 924 S CB -0.246 62.938 63.200 -0.025 0.000 0.786 924 S HN 0.281 nan 8.310 nan 0.000 0.492 925 L N 0.060 121.252 121.223 -0.052 0.000 2.168 925 L HA 0.216 4.556 4.340 -0.001 0.000 0.203 925 L C 2.548 179.364 176.870 -0.090 0.000 1.078 925 L CA 0.719 55.525 54.840 -0.056 0.000 0.780 925 L CB -0.396 41.649 42.059 -0.023 0.000 0.939 925 L HN 0.276 nan 8.230 nan 0.000 0.451 926 L N -1.072 120.102 121.223 -0.081 0.000 2.162 926 L HA 0.004 4.344 4.340 -0.001 0.000 0.205 926 L C 0.198 176.953 176.870 -0.191 0.000 1.086 926 L CA 0.859 55.641 54.840 -0.098 0.000 0.778 926 L CB 0.040 42.070 42.059 -0.048 0.000 0.928 926 L HN 0.222 nan 8.230 nan 0.000 0.446 927 D N 0.275 120.537 120.400 -0.230 0.000 2.613 927 D HA 0.230 4.870 4.640 -0.001 0.000 0.312 927 D C -2.331 173.728 176.300 -0.401 0.000 1.202 927 D CA -0.982 52.784 54.000 -0.390 0.000 0.825 927 D CB 1.296 42.052 40.800 -0.073 0.000 1.113 927 D HN 0.068 nan 8.370 nan 0.000 0.502 928 P HA 0.117 nan 4.420 nan 0.000 0.273 928 P C 0.579 177.739 177.300 -0.232 0.000 1.250 928 P CA -0.490 62.440 63.100 -0.283 0.000 0.793 928 P CB 1.573 33.128 31.700 -0.241 0.000 1.011 929 L N 0.859 122.004 121.223 -0.129 0.000 2.483 929 L HA 0.085 4.424 4.340 -0.001 0.000 0.276 929 L C 0.922 177.770 176.870 -0.038 0.000 1.213 929 L CA 0.458 55.264 54.840 -0.055 0.000 0.843 929 L CB -0.259 41.784 42.059 -0.027 0.000 1.107 929 L HN 0.298 nan 8.230 nan 0.000 0.487 930 D N 3.000 123.443 120.400 0.072 0.000 2.225 930 D HA 0.337 4.977 4.640 -0.001 0.000 0.249 930 D C -0.363 175.907 176.300 -0.051 0.000 1.052 930 D CA -0.323 53.658 54.000 -0.032 0.000 0.909 930 D CB 1.711 42.536 40.800 0.042 0.000 1.186 930 D HN 0.360 nan 8.370 nan 0.000 0.431 931 K N 1.282 121.520 120.400 -0.269 0.000 2.270 931 K HA 0.503 4.823 4.320 -0.001 0.000 0.255 931 K C -1.004 175.494 176.600 -0.169 0.000 0.936 931 K CA -0.668 55.600 56.287 -0.030 0.000 0.809 931 K CB 1.629 34.096 32.500 -0.055 0.000 1.131 931 K HN 0.227 nan 8.250 nan 0.000 0.427 932 F N 2.407 122.538 119.950 0.302 0.000 2.540 932 F HA 0.491 5.018 4.527 -0.001 0.000 0.317 932 F C -0.085 176.003 175.800 0.479 0.000 1.104 932 F CA -0.878 57.293 58.000 0.286 0.000 0.913 932 F CB 1.294 40.279 39.000 -0.025 0.000 1.170 932 F HN 0.197 nan 8.300 nan 0.000 0.450 933 I N 3.398 124.353 120.570 0.640 0.000 2.378 933 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 933 I C -0.569 175.813 176.117 0.441 0.000 0.992 933 I CA -0.858 60.737 61.300 0.492 0.000 1.154 933 I CB 1.280 39.466 38.000 0.310 0.000 1.315 933 I HN 0.428 nan 8.210 nan 0.000 0.448 934 F N 5.651 125.730 119.950 0.216 0.000 2.578 934 F HA 0.190 4.717 4.527 -0.001 0.000 0.376 934 F C 1.204 176.910 175.800 -0.155 0.000 1.085 934 F CA 0.069 57.890 58.000 -0.299 0.000 1.260 934 F CB 1.160 40.021 39.000 -0.231 0.000 1.095 934 F HN 0.610 nan 8.300 nan 0.000 0.573 935 A N 4.472 126.637 122.820 -1.092 0.000 1.930 935 A HA 0.027 4.347 4.320 -0.001 0.000 0.215 935 A C 0.969 178.271 177.584 -0.471 0.000 1.176 935 A CA 0.630 52.297 52.037 -0.616 0.000 0.632 935 A CB -0.495 18.155 19.000 -0.582 0.000 0.819 935 A HN 0.797 nan 8.150 nan 0.000 0.445 936 E N -0.507 119.274 120.200 -0.698 0.000 2.359 936 E HA 0.177 4.527 4.350 -0.001 0.000 0.255 936 E C 0.267 176.967 176.600 0.166 0.000 1.191 936 E CA -0.605 55.709 56.400 -0.143 0.000 0.952 936 E CB 0.254 29.955 29.700 0.001 0.000 1.152 936 E HN 0.218 nan 8.360 nan 0.000 0.496 937 N N 0.521 119.337 118.700 0.193 0.000 2.270 937 N HA -0.084 4.655 4.740 -0.001 0.000 0.181 937 N C -0.281 175.390 175.510 0.267 0.000 1.016 937 N CA 0.895 54.070 53.050 0.208 0.000 0.870 937 N CB 0.225 38.790 38.487 0.131 0.000 0.979 937 N HN 0.451 nan 8.380 nan 0.000 0.431 938 E N -0.612 119.770 120.200 0.304 0.000 2.275 938 E HA 0.103 4.452 4.350 -0.001 0.000 0.270 938 E C -1.529 175.157 176.600 0.143 0.000 0.882 938 E CA -0.709 55.795 56.400 0.174 0.000 0.758 938 E CB 1.252 31.014 29.700 0.103 0.000 1.195 938 E HN -0.017 nan 8.360 nan 0.000 0.419 939 W N 7.705 128.671 121.300 -0.557 0.000 2.295 939 W HA 0.397 5.057 4.660 -0.001 0.000 0.333 939 W C -1.437 174.854 176.519 -0.379 0.000 0.990 939 W CA -1.481 55.341 57.345 -0.872 0.000 1.453 939 W CB -0.231 28.197 29.460 -1.721 0.000 1.263 939 W HN 0.440 nan 8.180 nan 0.000 0.380 940 I N 5.804 126.455 120.570 0.135 0.000 2.471 940 I HA 0.328 4.498 4.170 -0.001 0.000 0.286 940 I C 1.482 177.582 176.117 -0.029 0.000 1.079 940 I CA 1.299 62.611 61.300 0.020 0.000 1.398 940 I CB 0.645 38.691 38.000 0.077 0.000 1.403 940 I HN 0.771 nan 8.210 nan 0.000 0.530 941 G N 4.115 112.812 108.800 -0.172 0.000 2.175 941 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.244 941 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.244 941 G C 0.483 175.144 174.900 -0.399 0.000 0.982 941 G CA -0.175 44.812 45.100 -0.189 0.000 0.641 941 G HN 1.038 nan 8.290 nan 0.000 0.527 942 A N -0.245 122.069 122.820 -0.843 0.000 2.561 942 A HA 0.518 4.837 4.320 -0.001 0.000 0.234 942 A C 0.576 177.732 177.584 -0.713 0.000 1.055 942 A CA 1.025 52.203 52.037 -1.431 0.000 0.756 942 A CB 0.184 18.002 19.000 -1.969 0.000 0.986 942 A HN 0.655 nan 8.150 nan 0.000 0.505 943 Q N 0.656 120.109 119.800 -0.578 0.000 2.399 943 Q HA 0.526 4.866 4.340 -0.001 0.000 0.276 943 Q C 1.080 176.953 176.000 -0.211 0.000 1.098 943 Q CA -0.245 55.388 55.803 -0.284 0.000 0.827 943 Q CB 1.994 30.631 28.738 -0.169 0.000 1.386 943 Q HN 0.799 nan 8.270 nan 0.000 0.443 944 G N 0.091 108.805 108.800 -0.143 0.000 2.683 944 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.213 944 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.213 944 G C 0.204 175.068 174.900 -0.059 0.000 1.142 944 G CA 0.596 45.628 45.100 -0.113 0.000 0.793 944 G HN 0.445 nan 8.290 nan 0.000 0.534 945 Q N -1.486 118.295 119.800 -0.031 0.000 2.578 945 Q HA 0.516 4.856 4.340 -0.001 0.000 0.284 945 Q C -2.394 173.614 176.000 0.015 0.000 0.960 945 Q CA -0.940 54.858 55.803 -0.007 0.000 0.809 945 Q CB 2.002 30.721 28.738 -0.032 0.000 1.462 945 Q HN 0.040 nan 8.270 nan 0.000 0.392 946 F N 1.103 120.951 119.950 -0.169 0.000 2.581 946 F HA 0.649 5.175 4.527 -0.001 0.000 0.311 946 F C 0.445 175.989 175.800 -0.426 0.000 1.113 946 F CA 0.452 58.287 58.000 -0.275 0.000 0.935 946 F CB 2.056 40.904 39.000 -0.253 0.000 1.232 946 F HN 0.690 nan 8.300 nan 0.000 0.445 947 G N 2.917 110.638 108.800 -1.799 0.000 2.175 947 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.244 947 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.244 947 G C 1.097 175.294 174.900 -1.171 0.000 0.982 947 G CA 0.252 44.050 45.100 -2.170 0.000 0.641 947 G HN 1.632 nan 8.290 nan 0.000 0.527 948 G N 1.314 109.725 108.800 -0.647 0.000 2.485 948 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.221 948 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.221 948 G C 1.217 176.032 174.900 -0.142 0.000 1.115 948 G CA 1.874 46.827 45.100 -0.245 0.000 0.751 948 G HN 0.883 nan 8.290 nan 0.000 0.567 949 D N -0.906 119.334 120.400 -0.267 0.000 2.340 949 D HA 0.039 4.679 4.640 -0.001 0.000 0.217 949 D C 0.345 176.631 176.300 -0.022 0.000 1.081 949 D CA -0.499 53.444 54.000 -0.095 0.000 0.842 949 D CB -0.880 39.877 40.800 -0.071 0.000 0.934 949 D HN 0.470 nan 8.370 nan 0.000 0.511 950 H N 0.983 119.937 119.070 -0.194 0.000 2.732 950 H HA 0.247 4.802 4.556 -0.001 0.000 0.351 950 H C -2.006 173.285 175.328 -0.061 0.000 1.090 950 H CA -1.745 54.217 56.048 -0.143 0.000 1.431 950 H CB 0.643 30.274 29.762 -0.218 0.000 1.447 950 H HN -0.014 nan 8.280 nan 0.000 0.582 951 P HA -0.043 nan 4.420 nan 0.000 0.268 951 P C -0.638 176.728 177.300 0.109 0.000 1.205 951 P CA -0.026 63.133 63.100 0.099 0.000 0.771 951 P CB 0.781 32.520 31.700 0.064 0.000 0.858 952 S N 2.276 118.075 115.700 0.165 0.000 2.466 952 S HA 0.574 5.043 4.470 -0.001 0.000 0.313 952 S C 0.072 174.786 174.600 0.191 0.000 1.078 952 S CA -0.611 57.720 58.200 0.218 0.000 1.115 952 S CB -0.739 62.708 63.200 0.412 0.000 1.006 952 S HN 0.498 nan 8.310 nan 0.000 0.487 953 A N 4.429 127.351 122.820 0.170 0.000 2.346 953 A HA 0.465 4.785 4.320 -0.001 0.000 0.252 953 A C 0.601 178.255 177.584 0.117 0.000 1.089 953 A CA -0.496 51.619 52.037 0.131 0.000 0.797 953 A CB 0.156 19.229 19.000 0.122 0.000 1.047 953 A HN 0.920 nan 8.150 nan 0.000 0.494 954 R N 0.003 120.541 120.500 0.063 0.000 2.697 954 R HA -0.031 4.308 4.340 -0.001 0.000 0.265 954 R C 1.459 177.766 176.300 0.011 0.000 1.009 954 R CA 0.931 57.040 56.100 0.016 0.000 1.099 954 R CB 0.320 30.615 30.300 -0.008 0.000 0.965 954 R HN 0.921 nan 8.270 nan 0.000 0.428 955 E N 1.886 122.053 120.200 -0.056 0.000 2.267 955 E HA -0.237 4.112 4.350 -0.001 0.000 0.197 955 E C 0.241 176.862 176.600 0.035 0.000 0.998 955 E CA 1.618 57.967 56.400 -0.086 0.000 0.830 955 E CB -0.056 29.568 29.700 -0.127 0.000 0.751 955 E HN 0.764 nan 8.360 nan 0.000 0.491 956 D N 0.521 120.905 120.400 -0.027 0.000 2.340 956 D HA 0.015 4.654 4.640 -0.001 0.000 0.220 956 D C 0.301 176.593 176.300 -0.014 0.000 1.039 956 D CA -0.165 53.778 54.000 -0.096 0.000 0.866 956 D CB -0.011 40.678 40.800 -0.184 0.000 0.913 956 D HN 0.169 nan 8.370 nan 0.000 0.523 957 L N 0.789 122.054 121.223 0.069 0.000 2.309 957 L HA 0.537 4.876 4.340 -0.001 0.000 0.282 957 L C -1.107 175.891 176.870 0.212 0.000 1.036 957 L CA -0.430 54.473 54.840 0.105 0.000 0.806 957 L CB 1.655 43.764 42.059 0.083 0.000 1.220 957 L HN -0.198 nan 8.230 nan 0.000 0.429 958 D N 2.328 122.874 120.400 0.243 0.000 2.671 958 D HA 0.362 5.002 4.640 -0.001 0.000 0.232 958 D C -1.389 175.073 176.300 0.269 0.000 1.114 958 D CA -0.271 53.897 54.000 0.279 0.000 0.858 958 D CB 2.423 43.435 40.800 0.353 0.000 1.544 958 D HN 0.227 nan 8.370 nan 0.000 0.471 959 V N 3.500 123.550 119.914 0.228 0.000 2.258 959 V HA 0.127 4.247 4.120 -0.001 0.000 0.258 959 V C 1.290 177.522 176.094 0.231 0.000 1.121 959 V CA -0.004 62.441 62.300 0.242 0.000 0.942 959 V CB 0.456 32.406 31.823 0.212 0.000 1.170 959 V HN 0.613 nan 8.190 nan 0.000 0.487 960 S N 3.222 119.091 115.700 0.281 0.000 2.383 960 S HA -0.041 4.429 4.470 -0.001 0.000 0.229 960 S C 0.672 175.334 174.600 0.102 0.000 1.030 960 S CA 0.996 59.316 58.200 0.199 0.000 1.002 960 S CB 0.127 63.503 63.200 0.294 0.000 0.829 960 S HN 0.502 nan 8.310 nan 0.000 0.467 961 V N 1.290 121.303 119.914 0.164 0.000 2.760 961 V HA 0.542 4.661 4.120 -0.001 0.000 0.309 961 V C -0.769 175.395 176.094 0.116 0.000 1.077 961 V CA -0.605 61.764 62.300 0.116 0.000 0.910 961 V CB 1.923 33.844 31.823 0.164 0.000 1.008 961 V HN 0.385 nan 8.190 nan 0.000 0.424 962 M N 5.410 124.995 119.600 -0.024 0.000 2.204 962 M HA 0.704 5.184 4.480 -0.001 0.000 0.293 962 M C -1.103 175.018 176.300 -0.298 0.000 0.994 962 M CA -0.470 54.687 55.300 -0.238 0.000 0.925 962 M CB 1.541 34.012 32.600 -0.216 0.000 1.577 962 M HN 0.764 nan 8.290 nan 0.000 0.439 963 R N 4.023 124.263 120.500 -0.433 0.000 2.510 963 R HA 0.433 4.773 4.340 -0.001 0.000 0.287 963 R C -1.513 174.542 176.300 -0.408 0.000 1.084 963 R CA -0.706 55.194 56.100 -0.333 0.000 0.934 963 R CB 1.848 32.032 30.300 -0.193 0.000 1.201 963 R HN 0.915 nan 8.270 nan 0.000 0.431 964 R N 4.544 124.868 120.500 -0.293 0.000 2.389 964 R HA 0.157 4.497 4.340 -0.001 0.000 0.295 964 R C 0.111 176.297 176.300 -0.190 0.000 1.075 964 R CA 0.038 55.996 56.100 -0.235 0.000 1.005 964 R CB 0.613 30.835 30.300 -0.129 0.000 0.987 964 R HN 0.707 nan 8.270 nan 0.000 0.452 965 L N 3.222 124.327 121.223 -0.196 0.000 2.640 965 L HA 0.158 4.497 4.340 -0.001 0.000 0.230 965 L C 0.284 177.105 176.870 -0.081 0.000 1.123 965 L CA -0.041 54.708 54.840 -0.152 0.000 0.900 965 L CB 0.426 42.364 42.059 -0.202 0.000 1.146 965 L HN 0.721 nan 8.230 nan 0.000 0.484 966 T N -2.990 111.527 114.554 -0.062 0.000 2.887 966 T HA 0.464 4.813 4.350 -0.001 0.000 0.288 966 T C -0.259 174.436 174.700 -0.008 0.000 1.021 966 T CA -0.923 61.159 62.100 -0.030 0.000 1.000 966 T CB 2.373 71.230 68.868 -0.019 0.000 1.034 966 T HN -0.088 nan 8.240 nan 0.000 0.467 967 K N 0.909 121.310 120.400 0.001 0.000 2.102 967 K HA 0.343 4.662 4.320 -0.001 0.000 0.244 967 K C 1.607 178.223 176.600 0.027 0.000 1.021 967 K CA -0.278 56.020 56.287 0.019 0.000 0.913 967 K CB 0.605 33.114 32.500 0.015 0.000 1.062 967 K HN 0.803 nan 8.250 nan 0.000 0.485 968 S N -0.611 115.114 115.700 0.041 0.000 2.447 968 S HA -0.146 4.324 4.470 -0.001 0.000 0.233 968 S C 1.722 176.339 174.600 0.028 0.000 1.006 968 S CA 1.380 59.603 58.200 0.038 0.000 0.957 968 S CB -0.365 62.864 63.200 0.049 0.000 0.773 968 S HN 0.630 nan 8.310 nan 0.000 0.507 969 S N 1.401 117.116 115.700 0.024 0.000 2.561 969 S HA 0.432 4.902 4.470 -0.001 0.000 0.225 969 S C 0.781 175.389 174.600 0.014 0.000 0.977 969 S CA 0.030 58.242 58.200 0.019 0.000 0.926 969 S CB -0.570 62.641 63.200 0.018 0.000 0.769 969 S HN 0.755 nan 8.310 nan 0.000 0.533 970 A N 1.879 124.706 122.820 0.012 0.000 2.404 970 A HA 0.399 4.718 4.320 -0.001 0.000 0.273 970 A C 1.238 178.829 177.584 0.012 0.000 1.144 970 A CA -0.434 51.608 52.037 0.007 0.000 0.806 970 A CB 0.239 19.241 19.000 0.003 0.000 1.080 970 A HN 0.469 nan 8.150 nan 0.000 0.509 971 K N 1.997 122.403 120.400 0.010 0.000 2.063 971 K HA -0.094 4.226 4.320 -0.001 0.000 0.208 971 K C 0.207 176.817 176.600 0.018 0.000 1.048 971 K CA 1.740 58.035 56.287 0.014 0.000 0.928 971 K CB -0.045 32.460 32.500 0.010 0.000 0.713 971 K HN 0.625 nan 8.250 nan 0.000 0.442 972 T N 2.503 117.065 114.554 0.013 0.000 2.762 972 T HA 0.170 4.519 4.350 -0.001 0.000 0.303 972 T C -0.851 173.863 174.700 0.023 0.000 0.977 972 T CA -0.641 61.469 62.100 0.017 0.000 0.961 972 T CB 1.332 70.201 68.868 0.002 0.000 0.944 972 T HN 0.109 nan 8.240 nan 0.000 0.481 973 Q N 2.893 122.724 119.800 0.052 0.000 2.327 973 Q HA 0.383 4.722 4.340 -0.001 0.000 0.254 973 Q C 0.112 176.162 176.000 0.084 0.000 0.952 973 Q CA 0.117 55.957 55.803 0.061 0.000 0.884 973 Q CB 1.239 30.023 28.738 0.076 0.000 1.224 973 Q HN 0.569 nan 8.270 nan 0.000 0.422 974 R N 0.266 120.785 120.500 0.032 0.000 2.628 974 R HA 0.694 5.034 4.340 -0.001 0.000 0.288 974 R C -1.056 175.200 176.300 -0.073 0.000 0.980 974 R CA -0.740 55.363 56.100 0.004 0.000 0.891 974 R CB 1.806 32.078 30.300 -0.048 0.000 1.188 974 R HN 0.238 nan 8.270 nan 0.000 0.450 975 V N 1.467 121.329 119.914 -0.087 0.000 2.577 975 V HA 0.572 4.692 4.120 -0.001 0.000 0.303 975 V C 0.123 175.931 176.094 -0.477 0.000 1.042 975 V CA -0.818 61.300 62.300 -0.304 0.000 0.872 975 V CB 2.021 33.675 31.823 -0.281 0.000 0.998 975 V HN 0.956 nan 8.190 nan 0.000 0.423 976 G N 3.175 111.496 108.800 -0.799 0.000 2.389 976 G HA2 0.654 4.614 3.960 -0.001 0.000 0.317 976 G HA3 0.654 4.614 3.960 -0.001 0.000 0.317 976 G C -1.617 172.793 174.900 -0.817 0.000 1.137 976 G CA -0.269 44.184 45.100 -1.078 0.000 0.870 976 G HN 0.511 nan 8.290 nan 0.000 0.496 977 Y N 0.222 120.567 120.300 0.074 0.000 2.442 977 Y HA 0.468 5.018 4.550 -0.001 0.000 0.344 977 Y C -0.166 176.010 175.900 0.460 0.000 0.976 977 Y CA -0.908 57.352 58.100 0.268 0.000 1.040 977 Y CB 2.691 41.277 38.460 0.210 0.000 1.228 977 Y HN 0.348 nan 8.280 nan 0.000 0.451 978 V N 5.118 125.344 119.914 0.521 0.000 2.417 978 V HA 0.409 4.529 4.120 -0.001 0.000 0.291 978 V C -0.527 175.804 176.094 0.395 0.000 1.024 978 V CA -0.748 61.788 62.300 0.393 0.000 0.861 978 V CB 1.453 33.459 31.823 0.305 0.000 0.985 978 V HN 0.571 nan 8.190 nan 0.000 0.436 979 L N 4.757 126.197 121.223 0.361 0.000 2.313 979 L HA 0.570 4.909 4.340 -0.001 0.000 0.283 979 L C -0.823 176.246 176.870 0.331 0.000 1.013 979 L CA -0.508 54.535 54.840 0.338 0.000 0.816 979 L CB 1.665 43.915 42.059 0.319 0.000 1.236 979 L HN 0.757 nan 8.230 nan 0.000 0.419 980 H N 3.805 123.030 119.070 0.258 0.000 2.529 980 H HA 0.464 5.019 4.556 -0.001 0.000 0.348 980 H C -0.993 174.423 175.328 0.147 0.000 1.079 980 H CA -0.557 55.612 56.048 0.201 0.000 1.198 980 H CB 1.632 31.584 29.762 0.316 0.000 1.521 980 H HN 0.503 nan 8.280 nan 0.000 0.514 981 R N 4.367 124.500 120.500 -0.611 0.000 2.393 981 R HA 0.315 4.654 4.340 -0.001 0.000 0.315 981 R C -0.457 175.432 176.300 -0.686 0.000 0.952 981 R CA -0.487 55.350 56.100 -0.437 0.000 0.842 981 R CB 1.417 31.583 30.300 -0.224 0.000 1.163 981 R HN 0.776 nan 8.270 nan 0.000 0.450 982 T N 1.500 115.808 114.554 -0.410 0.000 2.833 982 T HA 0.207 4.557 4.350 -0.001 0.000 0.292 982 T C -0.544 173.991 174.700 -0.276 0.000 1.031 982 T CA -0.433 61.525 62.100 -0.237 0.000 0.937 982 T CB 0.605 69.418 68.868 -0.092 0.000 1.256 982 T HN 0.676 nan 8.240 nan 0.000 0.551 983 N N 0.494 119.055 118.700 -0.232 0.000 2.410 983 N HA 0.466 5.206 4.740 -0.001 0.000 0.287 983 N C -1.557 173.790 175.510 -0.272 0.000 1.044 983 N CA -0.488 52.358 53.050 -0.339 0.000 0.881 983 N CB 0.716 38.837 38.487 -0.610 0.000 1.405 983 N HN 0.484 nan 8.380 nan 0.000 0.490 984 L N 2.694 123.751 121.223 -0.276 0.000 2.325 984 L HA 0.550 4.890 4.340 -0.001 0.000 0.278 984 L C 0.480 177.221 176.870 -0.215 0.000 1.023 984 L CA -0.957 53.754 54.840 -0.215 0.000 0.811 984 L CB 1.632 43.572 42.059 -0.199 0.000 1.249 984 L HN 0.384 nan 8.230 nan 0.000 0.431 985 M N 2.108 121.603 119.600 -0.176 0.000 2.239 985 M HA 0.091 4.571 4.480 -0.001 0.000 0.348 985 M C -0.187 176.024 176.300 -0.148 0.000 1.239 985 M CA 0.328 55.528 55.300 -0.167 0.000 1.114 985 M CB 0.316 32.825 32.600 -0.152 0.000 1.641 985 M HN 0.534 nan 8.290 nan 0.000 0.453 986 Q N 1.733 121.450 119.800 -0.138 0.000 2.314 986 Q HA 0.196 4.535 4.340 -0.001 0.000 0.257 986 Q C -0.328 175.613 176.000 -0.099 0.000 0.975 986 Q CA -0.309 55.425 55.803 -0.115 0.000 0.933 986 Q CB 0.863 29.536 28.738 -0.108 0.000 1.195 986 Q HN 0.797 nan 8.270 nan 0.000 0.426 987 c N 1.439 119.983 118.600 -0.092 0.000 3.240 987 c HA 0.398 4.968 4.570 -0.001 0.000 0.271 987 c C 1.246 175.294 174.090 -0.069 0.000 1.534 987 c CA -0.045 56.234 56.329 -0.082 0.000 1.796 987 c CB -0.436 42.020 42.510 -0.090 0.000 2.892 987 c HN 1.140 nan 8.230 nan 0.000 0.566 988 G N 1.225 109.984 108.800 -0.067 0.000 2.176 988 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.232 988 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.232 988 G C 0.012 174.877 174.900 -0.058 0.000 0.986 988 G CA 0.301 45.366 45.100 -0.058 0.000 0.643 988 G HN 0.431 nan 8.290 nan 0.000 0.522 989 T N 2.082 116.597 114.554 -0.066 0.000 2.749 989 T HA 0.465 4.815 4.350 -0.001 0.000 0.295 989 T C -0.554 174.102 174.700 -0.073 0.000 0.936 989 T CA -0.459 61.601 62.100 -0.066 0.000 1.060 989 T CB 1.802 70.629 68.868 -0.069 0.000 0.904 989 T HN 0.026 nan 8.240 nan 0.000 0.500 990 P HA -0.107 nan 4.420 nan 0.000 0.218 990 P C -0.038 177.201 177.300 -0.103 0.000 1.148 990 P CA 0.450 63.504 63.100 -0.076 0.000 0.822 990 P CB -0.139 31.523 31.700 -0.064 0.000 0.784 991 E N 0.317 120.443 120.200 -0.125 0.000 0.704 991 E HA -0.234 4.115 4.350 -0.001 0.000 0.351 991 E C -0.004 176.478 176.600 -0.197 0.000 0.925 991 E CA 0.556 56.852 56.400 -0.173 0.000 1.318 991 E CB -0.638 28.982 29.700 -0.135 0.000 0.430 991 E HN 0.442 nan 8.360 nan 0.000 0.355 992 E N 0.519 120.531 120.200 -0.315 0.000 2.957 992 E HA 0.234 4.584 4.350 -0.001 0.000 0.169 992 E C -0.893 175.501 176.600 -0.343 0.000 0.757 992 E CA -0.412 55.840 56.400 -0.245 0.000 1.082 992 E CB 0.456 30.070 29.700 -0.143 0.000 1.896 992 E HN 0.660 nan 8.360 nan 0.000 0.365 993 H N -0.759 118.304 119.070 -0.012 0.000 2.099 993 H HA -0.169 4.386 4.556 -0.001 0.000 0.310 993 H C -1.074 174.262 175.328 0.013 0.000 0.858 993 H CA 0.744 56.789 56.048 -0.004 0.000 1.024 993 H CB -2.391 27.364 29.762 -0.010 0.000 1.578 993 H HN 0.285 nan 8.280 nan 0.000 0.302 994 T N -0.193 114.437 114.554 0.126 0.000 2.883 994 T HA 0.672 5.021 4.350 -0.001 0.000 0.296 994 T C -0.333 174.419 174.700 0.086 0.000 1.117 994 T CA -1.193 60.975 62.100 0.112 0.000 1.006 994 T CB 2.627 71.532 68.868 0.063 0.000 1.191 994 T HN 0.644 nan 8.240 nan 0.000 0.508 995 Q N 0.642 120.495 119.800 0.088 0.000 2.297 995 Q HA 0.559 4.899 4.340 -0.001 0.000 0.268 995 Q C -0.695 175.332 176.000 0.044 0.000 1.045 995 Q CA -1.412 54.428 55.803 0.061 0.000 0.861 995 Q CB 1.403 30.182 28.738 0.069 0.000 1.344 995 Q HN 0.346 nan 8.270 nan 0.000 0.452 996 K N 1.247 121.660 120.400 0.021 0.000 2.401 996 K HA 0.170 4.490 4.320 -0.001 0.000 0.278 996 K C -0.672 175.931 176.600 0.005 0.000 1.018 996 K CA -0.342 55.949 56.287 0.006 0.000 0.981 996 K CB 0.309 32.802 32.500 -0.012 0.000 0.933 996 K HN 0.430 nan 8.250 nan 0.000 0.477 997 L N 2.991 124.213 121.223 -0.001 0.000 2.265 997 L HA 0.234 4.574 4.340 -0.001 0.000 0.289 997 L C -0.703 176.129 176.870 -0.063 0.000 1.033 997 L CA -0.214 54.617 54.840 -0.015 0.000 0.814 997 L CB 0.882 42.943 42.059 0.003 0.000 1.203 997 L HN 0.462 nan 8.230 nan 0.000 0.423 998 D N 3.507 123.863 120.400 -0.073 0.000 2.460 998 D HA 0.167 4.807 4.640 -0.001 0.000 0.232 998 D C 1.028 177.225 176.300 -0.172 0.000 1.079 998 D CA -0.324 53.609 54.000 -0.111 0.000 0.864 998 D CB 1.277 42.062 40.800 -0.026 0.000 1.048 998 D HN 0.368 nan 8.370 nan 0.000 0.523 999 V N 1.440 121.152 119.914 -0.337 0.000 2.720 999 V HA -0.154 3.965 4.120 -0.001 0.000 0.256 999 V C 2.133 177.908 176.094 -0.532 0.000 1.082 999 V CA 0.996 62.919 62.300 -0.627 0.000 1.101 999 V CB -1.054 30.106 31.823 -1.106 0.000 0.693 999 V HN 0.618 nan 8.190 nan 0.000 0.479 1000 c N 0.586 119.001 118.600 -0.308 0.000 2.432 1000 c HA 0.002 4.572 4.570 -0.001 0.000 0.282 1000 c C 2.150 176.105 174.090 -0.225 0.000 1.388 1000 c CA 1.282 57.490 56.329 -0.202 0.000 1.777 1000 c CB -1.686 40.693 42.510 -0.219 0.000 1.882 1000 c HN 0.766 nan 8.230 nan 0.000 0.520 1001 H N -0.923 118.119 119.070 -0.047 0.000 2.505 1001 H HA 0.259 4.815 4.556 -0.001 0.000 0.289 1001 H C 1.690 177.045 175.328 0.046 0.000 1.052 1001 H CA 0.001 56.063 56.048 0.024 0.000 1.156 1001 H CB 0.058 29.817 29.762 -0.005 0.000 1.507 1001 H HN 0.356 nan 8.280 nan 0.000 0.548 1002 L N -0.163 121.106 121.223 0.077 0.000 2.156 1002 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 1002 L C 0.135 177.140 176.870 0.225 0.000 1.095 1002 L CA 0.787 55.703 54.840 0.128 0.000 0.770 1002 L CB 0.163 42.267 42.059 0.075 0.000 0.914 1002 L HN 0.212 nan 8.230 nan 0.000 0.439 1003 L N 0.121 121.430 121.223 0.143 0.000 2.331 1003 L HA 0.386 4.725 4.340 -0.001 0.000 0.275 1003 L C -2.031 174.862 176.870 0.039 0.000 1.022 1003 L CA -1.909 52.937 54.840 0.009 0.000 0.812 1003 L CB 1.495 43.318 42.059 -0.393 0.000 1.257 1003 L HN -0.191 nan 8.230 nan 0.000 0.435 1004 P HA 0.128 nan 4.420 nan 0.000 0.277 1004 P C -0.909 176.504 177.300 0.188 0.000 1.271 1004 P CA -0.302 62.866 63.100 0.113 0.000 0.795 1004 P CB 0.458 32.205 31.700 0.078 0.000 1.101 1005 N N -3.084 115.715 118.700 0.165 0.000 2.740 1005 N HA -0.149 4.591 4.740 -0.001 0.000 0.248 1005 N C 0.037 175.645 175.510 0.164 0.000 1.062 1005 N CA 0.066 53.205 53.050 0.149 0.000 0.704 1005 N CB -1.887 36.676 38.487 0.126 0.000 0.968 1005 N HN 0.263 nan 8.380 nan 0.000 0.547 1006 V N -0.039 119.934 119.914 0.098 0.000 2.637 1006 V HA 0.442 4.562 4.120 -0.001 0.000 0.296 1006 V C 1.143 177.152 176.094 -0.143 0.000 1.046 1006 V CA 1.027 63.220 62.300 -0.178 0.000 1.066 1006 V CB 1.302 32.922 31.823 -0.337 0.000 0.968 1006 V HN 0.419 nan 8.190 nan 0.000 0.483 1007 A N 6.984 129.691 122.820 -0.189 0.000 2.259 1007 A HA 0.486 4.806 4.320 -0.001 0.000 0.213 1007 A C 0.925 178.465 177.584 -0.073 0.000 1.209 1007 A CA 0.011 51.995 52.037 -0.087 0.000 0.910 1007 A CB 0.245 19.210 19.000 -0.057 0.000 0.946 1007 A HN 0.775 nan 8.150 nan 0.000 0.497 1008 R N -1.592 118.829 120.500 -0.133 0.000 2.664 1008 R HA 0.478 4.817 4.340 -0.001 0.000 0.266 1008 R C -2.382 173.851 176.300 -0.111 0.000 1.046 1008 R CA -0.323 55.741 56.100 -0.060 0.000 0.885 1008 R CB 1.427 31.742 30.300 0.025 0.000 1.254 1008 R HN 0.291 nan 8.270 nan 0.000 0.465 1009 c N 2.693 121.238 118.600 -0.091 0.000 2.446 1009 c HA 0.599 5.169 4.570 -0.001 0.000 0.329 1009 c C -1.187 172.908 174.090 0.007 0.000 1.166 1009 c CA -0.218 56.074 56.329 -0.061 0.000 1.341 1009 c CB 1.227 43.669 42.510 -0.113 0.000 1.970 1009 c HN 0.921 nan 8.230 nan 0.000 0.452 1010 E N 2.886 123.153 120.200 0.112 0.000 2.266 1010 E HA 0.459 4.808 4.350 -0.001 0.000 0.268 1010 E C -0.906 175.852 176.600 0.263 0.000 0.879 1010 E CA -0.596 55.903 56.400 0.164 0.000 0.762 1010 E CB 1.838 31.626 29.700 0.146 0.000 1.199 1010 E HN 0.646 nan 8.360 nan 0.000 0.422 1011 R N 1.564 122.201 120.500 0.228 0.000 2.308 1011 R HA 0.342 4.681 4.340 -0.001 0.000 0.305 1011 R C -0.516 175.803 176.300 0.033 0.000 1.053 1011 R CA 0.084 56.239 56.100 0.092 0.000 0.957 1011 R CB 0.640 30.969 30.300 0.047 0.000 1.022 1011 R HN 0.701 nan 8.270 nan 0.000 0.461 1012 T N -0.275 114.272 114.554 -0.011 0.000 2.864 1012 T HA 0.367 4.717 4.350 -0.001 0.000 0.289 1012 T C 0.095 174.770 174.700 -0.042 0.000 1.082 1012 T CA -0.790 61.328 62.100 0.031 0.000 1.009 1012 T CB 1.339 70.299 68.868 0.154 0.000 1.234 1012 T HN 0.601 nan 8.240 nan 0.000 0.526 1013 T N 0.208 114.742 114.554 -0.034 0.000 2.795 1013 T HA 0.230 4.580 4.350 -0.001 0.000 0.314 1013 T C 1.621 176.223 174.700 -0.163 0.000 1.069 1013 T CA -0.733 61.322 62.100 -0.074 0.000 1.071 1013 T CB -0.067 68.777 68.868 -0.040 0.000 0.988 1013 T HN 0.565 nan 8.240 nan 0.000 0.543 1014 L N 0.946 122.060 121.223 -0.181 0.000 2.450 1014 L HA -0.031 4.309 4.340 -0.001 0.000 0.224 1014 L C 2.705 179.265 176.870 -0.517 0.000 1.149 1014 L CA 1.315 55.978 54.840 -0.294 0.000 0.816 1014 L CB -1.094 40.885 42.059 -0.133 0.000 0.932 1014 L HN 0.970 nan 8.230 nan 0.000 0.449 1015 T N -4.993 109.357 114.554 -0.341 0.000 3.107 1015 T HA 0.080 4.429 4.350 -0.001 0.000 0.249 1015 T C 0.818 175.383 174.700 -0.225 0.000 1.096 1015 T CA -0.276 61.658 62.100 -0.277 0.000 1.012 1015 T CB -0.292 68.551 68.868 -0.043 0.000 0.977 1015 T HN 0.298 nan 8.240 nan 0.000 0.527 1016 F N -0.584 119.379 119.950 0.022 0.000 2.871 1016 F HA -0.237 4.290 4.527 -0.001 0.000 0.326 1016 F C 1.145 176.947 175.800 0.004 0.000 0.675 1016 F CA 0.188 58.194 58.000 0.010 0.000 1.188 1016 F CB -2.183 36.819 39.000 0.003 0.000 1.567 1016 F HN 0.213 nan 8.300 nan 0.000 0.325 1017 L N -0.626 120.661 121.223 0.108 0.000 2.418 1017 L HA 0.040 4.380 4.340 -0.001 0.000 0.218 1017 L C 1.083 177.977 176.870 0.039 0.000 1.125 1017 L CA 1.100 55.980 54.840 0.067 0.000 0.835 1017 L CB 0.027 42.108 42.059 0.037 0.000 0.953 1017 L HN 0.343 nan 8.230 nan 0.000 0.454 1018 Q N 0.447 120.269 119.800 0.036 0.000 2.305 1018 Q HA 0.265 4.604 4.340 -0.001 0.000 0.271 1018 Q C -1.212 174.808 176.000 0.033 0.000 1.046 1018 Q CA -0.707 55.108 55.803 0.020 0.000 0.798 1018 Q CB 1.911 30.645 28.738 -0.006 0.000 1.286 1018 Q HN 0.101 nan 8.270 nan 0.000 0.435 1019 N N 4.407 123.129 118.700 0.036 0.000 2.488 1019 N HA 0.191 4.930 4.740 -0.001 0.000 0.274 1019 N C 0.271 175.803 175.510 0.036 0.000 1.111 1019 N CA 0.224 53.305 53.050 0.051 0.000 0.974 1019 N CB 1.119 39.640 38.487 0.057 0.000 1.089 1019 N HN 0.635 nan 8.380 nan 0.000 0.465 1020 L N 0.367 121.613 121.223 0.038 0.000 2.642 1020 L HA 0.314 4.653 4.340 -0.001 0.000 0.233 1020 L C 0.548 177.445 176.870 0.045 0.000 1.077 1020 L CA 0.348 55.202 54.840 0.024 0.000 0.879 1020 L CB 0.427 42.486 42.059 0.000 0.000 1.151 1020 L HN 0.501 nan 8.230 nan 0.000 0.495 1021 E N -0.140 120.104 120.200 0.074 0.000 2.311 1021 E HA 0.121 4.471 4.350 -0.001 0.000 0.281 1021 E C -1.323 175.360 176.600 0.139 0.000 0.905 1021 E CA -0.512 55.946 56.400 0.097 0.000 0.778 1021 E CB 1.565 31.315 29.700 0.083 0.000 1.240 1021 E HN 0.063 nan 8.360 nan 0.000 0.410 1022 H N 6.185 125.282 119.070 0.045 0.000 2.668 1022 H HA 0.289 4.845 4.556 -0.001 0.000 0.303 1022 H C -0.846 174.509 175.328 0.045 0.000 1.074 1022 H CA -0.272 55.800 56.048 0.040 0.000 1.406 1022 H CB 0.574 30.350 29.762 0.023 0.000 1.442 1022 H HN 0.405 nan 8.280 nan 0.000 0.482 1023 L N 5.217 126.244 121.223 -0.327 0.000 2.275 1023 L HA 0.124 4.464 4.340 -0.001 0.000 0.288 1023 L C 0.277 176.984 176.870 -0.272 0.000 1.046 1023 L CA -0.890 53.821 54.840 -0.214 0.000 0.805 1023 L CB 1.093 43.099 42.059 -0.089 0.000 1.193 1023 L HN 0.604 nan 8.230 nan 0.000 0.426 1024 D N 2.567 122.882 120.400 -0.141 0.000 2.455 1024 D HA 0.162 4.801 4.640 -0.001 0.000 0.241 1024 D C 1.201 177.464 176.300 -0.063 0.000 1.138 1024 D CA 1.284 55.231 54.000 -0.088 0.000 0.877 1024 D CB 1.204 41.984 40.800 -0.034 0.000 1.187 1024 D HN 0.831 nan 8.370 nan 0.000 0.451 1025 G N 3.012 111.788 108.800 -0.040 0.000 2.180 1025 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.263 1025 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.263 1025 G C 0.746 175.668 174.900 0.038 0.000 0.989 1025 G CA 0.482 45.582 45.100 0.001 0.000 0.692 1025 G HN 0.659 nan 8.290 nan 0.000 0.526 1026 M N -2.656 116.921 119.600 -0.039 0.000 2.393 1026 M HA -0.189 4.291 4.480 -0.001 0.000 0.201 1026 M C -0.004 176.301 176.300 0.008 0.000 0.403 1026 M CA 0.872 56.136 55.300 -0.061 0.000 0.471 1026 M CB -1.963 30.592 32.600 -0.074 0.000 1.669 1026 M HN 0.223 nan 8.290 nan 0.000 0.864 1027 V N 0.604 120.513 119.914 -0.010 0.000 2.417 1027 V HA 0.762 4.881 4.120 -0.001 0.000 0.291 1027 V C 0.554 176.560 176.094 -0.146 0.000 1.024 1027 V CA -0.442 61.850 62.300 -0.013 0.000 0.861 1027 V CB 1.884 33.700 31.823 -0.011 0.000 0.985 1027 V HN 0.418 nan 8.190 nan 0.000 0.436 1028 A N 7.655 130.308 122.820 -0.278 0.000 2.302 1028 A HA 0.771 5.091 4.320 -0.001 0.000 0.295 1028 A C -2.426 174.915 177.584 -0.405 0.000 1.235 1028 A CA -1.369 50.296 52.037 -0.620 0.000 0.876 1028 A CB 0.131 18.432 19.000 -1.166 0.000 1.133 1028 A HN 0.636 nan 8.150 nan 0.000 0.533 1029 P HA 0.235 nan 4.420 nan 0.000 0.274 1029 P C -0.123 177.156 177.300 -0.034 0.000 1.237 1029 P CA -0.265 62.790 63.100 -0.075 0.000 0.793 1029 P CB 0.604 32.314 31.700 0.018 0.000 0.977 1030 E N -0.439 119.760 120.200 -0.002 0.000 2.342 1030 E HA 0.301 4.651 4.350 -0.001 0.000 0.257 1030 E C -0.040 176.607 176.600 0.077 0.000 1.150 1030 E CA -0.942 55.481 56.400 0.039 0.000 0.926 1030 E CB 0.602 30.310 29.700 0.014 0.000 1.074 1030 E HN 0.286 nan 8.360 nan 0.000 0.449 1031 V N -1.573 118.392 119.914 0.084 0.000 3.109 1031 V HA 0.366 4.485 4.120 -0.001 0.000 0.317 1031 V C 0.105 176.200 176.094 0.003 0.000 1.074 1031 V CA -1.021 61.316 62.300 0.062 0.000 1.033 1031 V CB 1.208 33.073 31.823 0.071 0.000 1.111 1031 V HN 0.735 nan 8.190 nan 0.000 0.458 1032 c N 2.134 120.730 118.600 -0.006 0.000 2.500 1032 c HA 0.466 5.035 4.570 -0.001 0.000 0.367 1032 c C -2.108 171.926 174.090 -0.092 0.000 1.283 1032 c CA -0.384 55.924 56.329 -0.036 0.000 2.456 1032 c CB 0.078 42.584 42.510 -0.006 0.000 2.457 1032 c HN 0.811 nan 8.230 nan 0.000 0.632 1033 P HA 0.066 nan 4.420 nan 0.000 0.264 1033 P C 0.270 177.419 177.300 -0.252 0.000 1.193 1033 P CA 0.927 63.893 63.100 -0.224 0.000 0.763 1033 P CB 0.197 31.747 31.700 -0.251 0.000 0.810 1034 M N -1.162 118.241 119.600 -0.329 0.000 2.939 1034 M HA -0.208 4.272 4.480 -0.001 0.000 0.194 1034 M C 0.281 176.572 176.300 -0.015 0.000 0.617 1034 M CA 1.198 56.293 55.300 -0.341 0.000 0.734 1034 M CB -2.378 29.742 32.600 -0.800 0.000 2.637 1034 M HN 0.488 nan 8.290 nan 0.000 0.316 1035 E N 0.541 120.729 120.200 -0.021 0.000 2.250 1035 E HA 0.603 4.953 4.350 -0.001 0.000 0.269 1035 E C -0.648 176.008 176.600 0.093 0.000 1.018 1035 E CA -0.200 56.267 56.400 0.111 0.000 0.873 1035 E CB 1.592 31.325 29.700 0.054 0.000 1.134 1035 E HN 0.189 nan 8.360 nan 0.000 0.403 1036 T N 1.251 115.875 114.554 0.118 0.000 2.921 1036 T HA 0.682 5.032 4.350 -0.001 0.000 0.297 1036 T C -1.287 173.420 174.700 0.012 0.000 1.013 1036 T CA -0.536 61.642 62.100 0.131 0.000 0.990 1036 T CB 1.495 70.453 68.868 0.151 0.000 1.023 1036 T HN 0.637 nan 8.240 nan 0.000 0.447 1037 A N 1.912 124.744 122.820 0.020 0.000 2.479 1037 A HA 1.016 5.336 4.320 -0.001 0.000 0.296 1037 A C -1.074 176.413 177.584 -0.161 0.000 1.121 1037 A CA -0.934 51.014 52.037 -0.147 0.000 0.743 1037 A CB 1.541 20.404 19.000 -0.228 0.000 1.323 1037 A HN 1.133 nan 8.150 nan 0.000 0.415 1038 A N 0.090 122.713 122.820 -0.329 0.000 2.386 1038 A HA 0.822 5.141 4.320 -0.001 0.000 0.311 1038 A C -1.529 175.880 177.584 -0.291 0.000 1.068 1038 A CA -0.355 51.619 52.037 -0.104 0.000 0.743 1038 A CB 0.765 19.718 19.000 -0.080 0.000 1.258 1038 A HN 0.858 nan 8.150 nan 0.000 0.429 1039 Y N 0.164 120.681 120.300 0.362 0.000 2.524 1039 Y HA 0.565 5.115 4.550 -0.001 0.000 0.347 1039 Y C -0.305 175.768 175.900 0.288 0.000 1.005 1039 Y CA -0.921 57.340 58.100 0.268 0.000 1.025 1039 Y CB 2.622 41.196 38.460 0.189 0.000 1.275 1039 Y HN 0.422 nan 8.280 nan 0.000 0.460 1040 V N 2.481 122.595 119.914 0.333 0.000 2.444 1040 V HA 0.478 4.597 4.120 -0.001 0.000 0.294 1040 V C -0.661 175.510 176.094 0.129 0.000 1.022 1040 V CA -0.857 61.530 62.300 0.145 0.000 0.850 1040 V CB 1.730 33.587 31.823 0.056 0.000 0.992 1040 V HN 0.821 nan 8.190 nan 0.000 0.426 1041 S N 3.388 119.167 115.700 0.132 0.000 2.525 1041 S HA 0.735 5.205 4.470 -0.001 0.000 0.290 1041 S C -0.264 174.250 174.600 -0.144 0.000 1.152 1041 S CA -0.618 57.584 58.200 0.003 0.000 1.072 1041 S CB 1.695 64.970 63.200 0.125 0.000 1.027 1041 S HN 0.549 nan 8.310 nan 0.000 0.500 1042 S N 2.291 117.788 115.700 -0.339 0.000 2.509 1042 S HA 0.529 4.999 4.470 -0.001 0.000 0.297 1042 S C -0.883 173.346 174.600 -0.618 0.000 1.118 1042 S CA -0.768 57.257 58.200 -0.292 0.000 1.074 1042 S CB 0.468 63.591 63.200 -0.128 0.000 1.038 1042 S HN 0.775 nan 8.310 nan 0.000 0.498 1043 H N 0.917 119.979 119.070 -0.013 0.000 2.667 1043 H HA 0.407 4.963 4.556 -0.001 0.000 0.353 1043 H C -0.150 175.177 175.328 -0.002 0.000 1.072 1043 H CA -0.597 55.446 56.048 -0.009 0.000 1.214 1043 H CB 1.708 31.467 29.762 -0.006 0.000 1.600 1043 H HN 0.659 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.748 115.700 0.080 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.231 58.200 0.052 0.000 1.107 1044 S CB 0.000 63.219 63.200 0.031 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517