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 1tqs_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 0.000 174.102 174.090 0.020 0.000 1.270 31 c CA 0.000 56.336 56.329 0.012 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.011 0.000 2.134 32 Q N 1.446 121.274 119.800 0.046 0.000 2.392 32 Q HA 0.142 4.481 4.340 -0.001 0.000 0.262 32 Q C -0.225 175.804 176.000 0.049 0.000 1.003 32 Q CA 0.414 56.259 55.803 0.071 0.000 0.888 32 Q CB 0.816 29.635 28.738 0.135 0.000 1.260 32 Q HN 0.657 nan 8.270 nan 0.000 0.435 33 D N 1.634 122.065 120.400 0.052 0.000 2.316 33 D HA 0.071 4.710 4.640 -0.001 0.000 0.245 33 D C 0.509 176.853 176.300 0.074 0.000 1.171 33 D CA -0.248 53.762 54.000 0.018 0.000 0.856 33 D CB 1.357 42.168 40.800 0.018 0.000 1.090 33 D HN 0.383 nan 8.370 nan 0.000 0.476 34 V N 2.221 122.131 119.914 -0.006 0.000 3.649 34 V HA 0.076 4.196 4.120 -0.001 0.000 0.275 34 V C 1.118 177.251 176.094 0.065 0.000 1.281 34 V CA 0.180 62.530 62.300 0.083 0.000 1.143 34 V CB 0.173 31.861 31.823 -0.225 0.000 0.892 34 V HN 0.392 nan 8.190 nan 0.000 0.441 35 V N -0.009 119.860 119.914 -0.075 0.000 2.908 35 V HA 0.096 4.215 4.120 -0.001 0.000 0.240 35 V C 2.298 178.364 176.094 -0.047 0.000 1.117 35 V CA 1.241 63.450 62.300 -0.151 0.000 1.133 35 V CB 0.030 31.717 31.823 -0.226 0.000 0.857 35 V HN 0.484 nan 8.190 nan 0.000 0.478 36 Q N -0.296 119.528 119.800 0.040 0.000 2.356 36 Q HA 0.128 4.468 4.340 -0.001 0.000 0.205 36 Q C -0.488 175.593 176.000 0.136 0.000 0.901 36 Q CA 0.278 56.125 55.803 0.074 0.000 0.938 36 Q CB 0.615 29.370 28.738 0.028 0.000 1.081 36 Q HN 0.496 nan 8.270 nan 0.000 0.517 37 D N 1.228 121.741 120.400 0.188 0.000 2.441 37 D HA 0.181 4.821 4.640 -0.001 0.000 0.231 37 D C -0.713 175.701 176.300 0.190 0.000 1.073 37 D CA -0.264 53.831 54.000 0.159 0.000 0.850 37 D CB 2.139 43.011 40.800 0.120 0.000 1.062 37 D HN -0.173 nan 8.370 nan 0.000 0.524 38 V N 4.449 124.440 119.914 0.129 0.000 2.470 38 V HA 0.143 4.262 4.120 -0.001 0.000 0.276 38 V C -1.817 174.254 176.094 -0.038 0.000 1.040 38 V CA -1.134 61.160 62.300 -0.011 0.000 1.008 38 V CB 0.432 32.257 31.823 0.004 0.000 0.990 38 V HN 0.315 nan 8.190 nan 0.000 0.477 39 P HA 0.105 nan 4.420 nan 0.000 0.268 39 P C -0.459 176.811 177.300 -0.049 0.000 1.205 39 P CA -0.172 62.896 63.100 -0.054 0.000 0.771 39 P CB 0.348 31.998 31.700 -0.084 0.000 0.858 40 N N 2.690 121.377 118.700 -0.022 0.000 2.462 40 N HA 0.329 5.068 4.740 -0.001 0.000 0.242 40 N C -1.057 174.443 175.510 -0.016 0.000 1.010 40 N CA -0.453 52.587 53.050 -0.018 0.000 0.939 40 N CB 0.117 38.602 38.487 -0.003 0.000 1.127 40 N HN 0.124 nan 8.380 nan 0.000 0.509 41 V N 0.448 120.345 119.914 -0.028 0.000 3.001 41 V HA 0.543 4.662 4.120 -0.001 0.000 0.314 41 V C 0.603 176.681 176.094 -0.026 0.000 1.099 41 V CA -0.741 61.545 62.300 -0.023 0.000 0.989 41 V CB 2.028 33.825 31.823 -0.043 0.000 1.040 41 V HN 0.396 nan 8.190 nan 0.000 0.434 42 D N 0.886 121.277 120.400 -0.015 0.000 2.144 42 D HA 0.018 4.657 4.640 -0.001 0.000 0.200 42 D C 0.488 176.756 176.300 -0.053 0.000 0.978 42 D CA 1.601 55.589 54.000 -0.020 0.000 0.833 42 D CB 0.465 41.269 40.800 0.007 0.000 0.961 42 D HN 0.414 nan 8.370 nan 0.000 0.470 43 V N 1.542 121.403 119.914 -0.088 0.000 2.443 43 V HA 0.201 4.321 4.120 -0.001 0.000 0.293 43 V C -0.360 175.636 176.094 -0.163 0.000 1.021 43 V CA -0.740 61.477 62.300 -0.138 0.000 0.848 43 V CB 2.377 34.073 31.823 -0.211 0.000 0.998 43 V HN -0.076 nan 8.190 nan 0.000 0.424 44 Q N 4.603 124.320 119.800 -0.139 0.000 2.341 44 Q HA 0.437 4.776 4.340 -0.001 0.000 0.268 44 Q C 0.440 176.342 176.000 -0.165 0.000 1.013 44 Q CA -0.688 55.024 55.803 -0.151 0.000 0.798 44 Q CB 1.895 30.565 28.738 -0.113 0.000 1.253 44 Q HN 0.673 nan 8.270 nan 0.000 0.457 45 M N 3.072 122.527 119.600 -0.243 0.000 2.213 45 M HA -0.159 4.321 4.480 -0.001 0.000 0.263 45 M C 1.603 177.801 176.300 -0.171 0.000 1.062 45 M CA 0.943 56.089 55.300 -0.257 0.000 1.105 45 M CB -0.774 31.537 32.600 -0.481 0.000 1.385 45 M HN 0.558 nan 8.290 nan 0.000 0.417 46 L N 0.689 121.804 121.223 -0.180 0.000 2.093 46 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 46 L C 2.477 179.339 176.870 -0.013 0.000 1.085 46 L CA 1.782 56.550 54.840 -0.120 0.000 0.755 46 L CB -0.610 41.353 42.059 -0.159 0.000 0.904 46 L HN 0.265 nan 8.230 nan 0.000 0.435 47 E N -0.454 119.725 120.200 -0.036 0.000 2.072 47 E HA -0.212 4.137 4.350 -0.001 0.000 0.190 47 E C 2.187 178.797 176.600 0.017 0.000 0.982 47 E CA 1.250 57.642 56.400 -0.013 0.000 0.803 47 E CB -0.233 29.445 29.700 -0.036 0.000 0.755 47 E HN 0.437 nan 8.360 nan 0.000 0.453 48 L N 0.559 121.791 121.223 0.016 0.000 2.012 48 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 48 L C 2.275 179.208 176.870 0.105 0.000 1.073 48 L CA 1.684 56.542 54.840 0.029 0.000 0.748 48 L CB -1.013 41.051 42.059 0.008 0.000 0.891 48 L HN 0.127 nan 8.230 nan 0.000 0.431 49 Y N -0.076 120.223 120.300 -0.001 0.000 2.207 49 Y HA -0.265 4.284 4.550 -0.001 0.000 0.287 49 Y C 2.552 178.543 175.900 0.151 0.000 1.156 49 Y CA 1.772 59.958 58.100 0.144 0.000 1.182 49 Y CB -0.622 37.924 38.460 0.143 0.000 0.979 49 Y HN 0.372 nan 8.280 nan 0.000 0.521 50 D N -0.619 119.889 120.400 0.180 0.000 2.178 50 D HA -0.103 4.537 4.640 -0.001 0.000 0.202 50 D C 2.033 178.371 176.300 0.063 0.000 0.974 50 D CA 1.162 55.223 54.000 0.102 0.000 0.841 50 D CB 0.077 40.912 40.800 0.059 0.000 0.953 50 D HN 0.245 nan 8.370 nan 0.000 0.478 51 R N -1.058 119.461 120.500 0.032 0.000 2.140 51 R HA 0.210 4.549 4.340 -0.001 0.000 0.213 51 R C 0.847 177.123 176.300 -0.040 0.000 1.059 51 R CA 0.060 56.155 56.100 -0.008 0.000 1.000 51 R CB 0.063 30.345 30.300 -0.030 0.000 0.910 51 R HN 0.189 nan 8.270 nan 0.000 0.455 52 M N 0.667 120.210 119.600 -0.096 0.000 2.252 52 M HA -0.057 4.422 4.480 -0.001 0.000 0.333 52 M C 1.390 177.633 176.300 -0.096 0.000 1.111 52 M CA 0.325 55.478 55.300 -0.245 0.000 1.140 52 M CB 1.220 33.389 32.600 -0.717 0.000 1.538 52 M HN 0.078 nan 8.290 nan 0.000 0.448 53 S N 1.387 117.020 115.700 -0.111 0.000 2.503 53 S HA 0.086 4.555 4.470 -0.001 0.000 0.217 53 S C 0.648 175.357 174.600 0.183 0.000 0.999 53 S CA -0.215 58.014 58.200 0.049 0.000 0.914 53 S CB -0.175 63.030 63.200 0.009 0.000 0.782 53 S HN 0.759 nan 8.310 nan 0.000 0.520 54 F N 0.827 120.708 119.950 -0.116 0.000 3.093 54 F HA -0.144 4.383 4.527 -0.001 0.000 0.287 54 F C 0.159 175.971 175.800 0.020 0.000 0.882 54 F CA 0.393 58.332 58.000 -0.102 0.000 1.063 54 F CB -1.921 36.990 39.000 -0.147 0.000 1.097 54 F HN 0.119 nan 8.300 nan 0.000 0.604 55 K N 1.086 121.566 120.400 0.133 0.000 2.350 55 K HA 0.141 4.460 4.320 -0.001 0.000 0.279 55 K C 0.298 177.009 176.600 0.185 0.000 1.027 55 K CA -0.145 56.225 56.287 0.138 0.000 0.969 55 K CB 0.564 33.106 32.500 0.070 0.000 0.954 55 K HN 0.068 nan 8.250 nan 0.000 0.474 56 D N 3.651 124.173 120.400 0.204 0.000 2.564 56 D HA 0.131 4.771 4.640 -0.001 0.000 0.226 56 D C -0.142 176.205 176.300 0.078 0.000 1.149 56 D CA -0.455 53.669 54.000 0.205 0.000 0.994 56 D CB -0.586 40.342 40.800 0.213 0.000 1.029 56 D HN 0.489 nan 8.370 nan 0.000 0.517 57 I N -1.325 119.279 120.570 0.057 0.000 2.488 57 I HA 0.457 4.626 4.170 -0.001 0.000 0.299 57 I C 0.070 176.179 176.117 -0.013 0.000 0.984 57 I CA -0.906 60.405 61.300 0.018 0.000 1.250 57 I CB 1.432 39.441 38.000 0.015 0.000 1.389 57 I HN -0.133 nan 8.210 nan 0.000 0.488 58 D N 4.411 124.801 120.400 -0.016 0.000 2.346 58 D HA 0.154 4.793 4.640 -0.001 0.000 0.260 58 D C 1.006 177.293 176.300 -0.022 0.000 1.252 58 D CA 0.108 54.092 54.000 -0.026 0.000 0.895 58 D CB 1.431 42.223 40.800 -0.013 0.000 1.097 58 D HN 0.826 nan 8.370 nan 0.000 0.489 59 G N 2.459 111.229 108.800 -0.050 0.000 2.985 59 G HA2 0.416 4.376 3.960 -0.001 0.000 0.209 59 G HA3 0.416 4.376 3.960 -0.001 0.000 0.209 59 G C 0.896 175.797 174.900 0.002 0.000 1.165 59 G CA 0.380 45.453 45.100 -0.044 0.000 0.776 59 G HN 0.919 nan 8.290 nan 0.000 0.541 60 G N -0.657 108.149 108.800 0.011 0.000 2.445 60 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.212 60 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.212 60 G C 1.167 176.089 174.900 0.036 0.000 1.217 60 G CA 0.660 45.778 45.100 0.030 0.000 1.002 60 G HN 1.098 nan 8.290 nan 0.000 0.574 61 V N -3.603 116.332 119.914 0.035 0.000 2.407 61 V HA 0.077 4.197 4.120 -0.001 0.000 0.248 61 V C 1.454 177.580 176.094 0.053 0.000 1.055 61 V CA 2.405 64.709 62.300 0.007 0.000 1.049 61 V CB -0.559 31.235 31.823 -0.049 0.000 0.662 61 V HN 1.400 nan 8.190 nan 0.000 0.455 62 W N 2.703 123.915 121.300 -0.147 0.000 2.422 62 W HA 0.431 5.090 4.660 -0.001 0.000 0.349 62 W C 1.095 177.577 176.519 -0.062 0.000 1.062 62 W CA -1.737 55.512 57.345 -0.159 0.000 1.497 62 W CB 0.285 29.623 29.460 -0.204 0.000 1.407 62 W HN 0.067 nan 8.180 nan 0.000 0.393 63 K N 2.815 123.303 120.400 0.146 0.000 2.147 63 K HA -0.167 4.153 4.320 -0.001 0.000 0.205 63 K C 0.832 177.354 176.600 -0.131 0.000 1.049 63 K CA 1.402 57.681 56.287 -0.015 0.000 0.936 63 K CB 0.135 32.622 32.500 -0.021 0.000 0.722 63 K HN 0.573 nan 8.250 nan 0.000 0.446 64 Q N -0.638 119.042 119.800 -0.199 0.000 2.172 64 Q HA 0.173 4.512 4.340 -0.001 0.000 0.217 64 Q C 0.753 176.406 176.000 -0.578 0.000 0.832 64 Q CA -0.341 55.321 55.803 -0.234 0.000 1.010 64 Q CB 1.312 30.044 28.738 -0.009 0.000 1.133 64 Q HN 0.222 nan 8.270 nan 0.000 0.489 65 G N 0.628 108.664 108.800 -1.274 0.000 3.392 65 G HA2 0.540 4.499 3.960 -0.001 0.000 0.185 65 G HA3 0.540 4.499 3.960 -0.001 0.000 0.185 65 G C -1.483 173.106 174.900 -0.519 0.000 1.206 65 G CA -0.323 43.718 45.100 -1.764 0.000 0.776 65 G HN 0.354 nan 8.290 nan 0.000 0.697 66 W N -1.453 119.558 121.300 -0.482 0.000 2.959 66 W HA 0.630 5.289 4.660 -0.001 0.000 0.358 66 W C -1.502 175.098 176.519 0.136 0.000 1.228 66 W CA -1.165 56.122 57.345 -0.096 0.000 1.183 66 W CB 0.651 30.072 29.460 -0.066 0.000 1.467 66 W HN 0.190 nan 8.180 nan 0.000 0.578 67 N N 2.135 120.989 118.700 0.258 0.000 2.402 67 N HA 0.217 4.956 4.740 -0.001 0.000 0.259 67 N C -0.276 175.371 175.510 0.229 0.000 1.167 67 N CA 0.040 53.193 53.050 0.172 0.000 0.949 67 N CB 0.263 38.852 38.487 0.170 0.000 1.212 67 N HN 0.413 nan 8.380 nan 0.000 0.493 68 I N 2.021 122.629 120.570 0.063 0.000 2.588 68 I HA -0.004 4.165 4.170 -0.001 0.000 0.283 68 I C 0.861 177.134 176.117 0.259 0.000 1.119 68 I CA 0.353 61.761 61.300 0.181 0.000 1.419 68 I CB 0.498 38.550 38.000 0.087 0.000 1.394 68 I HN 0.119 nan 8.210 nan 0.000 0.562 69 K N 6.155 126.744 120.400 0.315 0.000 2.259 69 K HA 0.592 4.912 4.320 -0.001 0.000 0.249 69 K C -1.346 175.413 176.600 0.264 0.000 0.942 69 K CA -0.720 55.681 56.287 0.191 0.000 0.816 69 K CB 2.280 34.862 32.500 0.137 0.000 1.155 69 K HN 0.489 nan 8.250 nan 0.000 0.428 70 Y N -1.908 118.479 120.300 0.145 0.000 2.588 70 Y HA 0.434 4.984 4.550 -0.001 0.000 0.343 70 Y C -1.125 174.845 175.900 0.116 0.000 1.065 70 Y CA -1.539 56.648 58.100 0.144 0.000 1.038 70 Y CB 1.197 39.761 38.460 0.173 0.000 1.297 70 Y HN 0.391 nan 8.280 nan 0.000 0.467 71 D N 2.636 123.194 120.400 0.263 0.000 2.313 71 D HA 0.365 5.004 4.640 -0.001 0.000 0.239 71 D C -1.982 174.486 176.300 0.281 0.000 1.142 71 D CA -2.670 51.424 54.000 0.157 0.000 0.847 71 D CB 1.760 42.623 40.800 0.106 0.000 1.082 71 D HN 0.377 nan 8.370 nan 0.000 0.480 72 P HA -0.078 nan 4.420 nan 0.000 0.219 72 P C 1.253 178.692 177.300 0.231 0.000 1.146 72 P CA 0.844 64.135 63.100 0.318 0.000 0.808 72 P CB 0.209 32.034 31.700 0.208 0.000 0.779 73 L N -0.905 120.404 121.223 0.144 0.000 2.610 73 L HA 0.017 4.356 4.340 -0.001 0.000 0.232 73 L C 2.353 179.257 176.870 0.056 0.000 1.149 73 L CA 0.596 55.494 54.840 0.097 0.000 0.872 73 L CB -0.592 41.504 42.059 0.062 0.000 0.992 73 L HN -0.006 nan 8.230 nan 0.000 0.447 74 K N 0.475 120.891 120.400 0.026 0.000 2.057 74 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 74 K C 0.027 176.460 176.600 -0.278 0.000 1.049 74 K CA 1.056 57.243 56.287 -0.165 0.000 0.931 74 K CB 0.085 32.424 32.500 -0.268 0.000 0.714 74 K HN 0.110 nan 8.250 nan 0.000 0.440 75 Y N 0.875 121.290 120.300 0.193 0.000 2.361 75 Y HA 0.208 4.758 4.550 -0.000 0.000 0.332 75 Y C 0.062 176.038 175.900 0.126 0.000 1.101 75 Y CA -0.918 57.286 58.100 0.173 0.000 1.137 75 Y CB 1.396 39.905 38.460 0.080 0.000 1.207 75 Y HN 0.287 nan 8.280 nan 0.000 0.463 76 N N -0.447 118.393 118.700 0.232 0.000 3.243 76 N HA 0.475 5.215 4.740 -0.001 0.000 0.280 76 N C 0.001 175.536 175.510 0.041 0.000 1.545 76 N CA -0.415 52.703 53.050 0.113 0.000 0.854 76 N CB 0.411 38.948 38.487 0.083 0.000 1.612 76 N HN 0.492 nan 8.380 nan 0.000 0.577 77 A N -1.150 121.607 122.820 -0.105 0.000 1.986 77 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 77 A C 0.866 178.300 177.584 -0.250 0.000 1.171 77 A CA 1.468 53.359 52.037 -0.242 0.000 0.640 77 A CB -1.064 17.677 19.000 -0.433 0.000 0.811 77 A HN 0.695 nan 8.150 nan 0.000 0.451 78 H N -2.858 116.270 119.070 0.097 0.000 2.529 78 H HA 0.194 4.750 4.556 -0.001 0.000 0.277 78 H C -0.443 174.992 175.328 0.178 0.000 1.004 78 H CA 0.596 56.706 56.048 0.103 0.000 1.167 78 H CB 0.053 29.862 29.762 0.079 0.000 1.445 78 H HN 0.728 nan 8.280 nan 0.000 0.554 79 H N 0.436 119.590 119.070 0.140 0.000 2.895 79 H HA 0.282 4.837 4.556 -0.000 0.000 0.282 79 H C -0.826 174.647 175.328 0.241 0.000 1.338 79 H CA -0.470 55.676 56.048 0.162 0.000 1.595 79 H CB 0.262 30.102 29.762 0.130 0.000 1.771 79 H HN -0.045 nan 8.280 nan 0.000 0.573 80 K N 2.325 122.696 120.400 -0.047 0.000 2.087 80 K HA 0.324 4.644 4.320 -0.001 0.000 0.255 80 K C -0.667 175.763 176.600 -0.284 0.000 0.988 80 K CA -1.294 54.945 56.287 -0.081 0.000 0.915 80 K CB 1.760 34.197 32.500 -0.105 0.000 1.043 80 K HN 0.238 nan 8.250 nan 0.000 0.457 81 L N 2.740 123.654 121.223 -0.515 0.000 2.278 81 L HA 0.145 4.485 4.340 -0.001 0.000 0.287 81 L C -0.773 175.809 176.870 -0.481 0.000 1.072 81 L CA 0.152 54.528 54.840 -0.772 0.000 0.819 81 L CB 0.221 41.607 42.059 -1.122 0.000 1.176 81 L HN 0.304 nan 8.230 nan 0.000 0.435 82 K N 5.055 125.202 120.400 -0.421 0.000 2.248 82 K HA 0.444 4.763 4.320 -0.001 0.000 0.281 82 K C -1.095 175.149 176.600 -0.594 0.000 1.054 82 K CA -0.458 55.537 56.287 -0.487 0.000 0.903 82 K CB 1.751 34.011 32.500 -0.400 0.000 1.077 82 K HN 0.412 nan 8.250 nan 0.000 0.474 83 V N 4.799 124.252 119.914 -0.767 0.000 2.448 83 V HA 0.407 4.527 4.120 -0.001 0.000 0.295 83 V C -0.619 174.933 176.094 -0.903 0.000 1.025 83 V CA -0.805 61.002 62.300 -0.821 0.000 0.859 83 V CB 0.795 31.966 31.823 -1.086 0.000 0.988 83 V HN 0.510 nan 8.190 nan 0.000 0.431 84 F N 3.599 123.299 119.950 -0.417 0.000 2.361 84 F HA 0.501 5.028 4.527 -0.001 0.000 0.364 84 F C 0.159 175.782 175.800 -0.295 0.000 1.117 84 F CA -0.767 57.047 58.000 -0.311 0.000 1.071 84 F CB 1.789 40.675 39.000 -0.190 0.000 1.188 84 F HN 0.190 nan 8.300 nan 0.000 0.464 85 V N 5.148 125.038 119.914 -0.040 0.000 2.385 85 V HA 0.267 4.386 4.120 -0.001 0.000 0.269 85 V C -0.188 176.017 176.094 0.184 0.000 1.043 85 V CA -0.609 61.728 62.300 0.063 0.000 0.906 85 V CB 1.266 33.198 31.823 0.181 0.000 0.995 85 V HN 0.431 nan 8.190 nan 0.000 0.467 86 V N 8.362 128.331 119.914 0.092 0.000 2.293 86 V HA 0.317 4.437 4.120 -0.001 0.000 0.275 86 V C -2.369 173.771 176.094 0.076 0.000 1.021 86 V CA -1.911 60.408 62.300 0.032 0.000 0.815 86 V CB 1.461 33.211 31.823 -0.121 0.000 1.025 86 V HN 0.725 nan 8.190 nan 0.000 0.448 87 P HA 0.342 nan 4.420 nan 0.000 0.271 87 P C -0.861 176.460 177.300 0.034 0.000 1.216 87 P CA 0.245 63.336 63.100 -0.014 0.000 0.776 87 P CB 0.375 31.875 31.700 -0.334 0.000 0.881 88 H N -1.202 117.888 119.070 0.032 0.000 2.990 88 H HA 0.788 5.344 4.556 -0.001 0.000 0.336 88 H C -1.518 173.928 175.328 0.196 0.000 1.306 88 H CA -1.109 54.857 56.048 -0.137 0.000 1.118 88 H CB 0.933 30.579 29.762 -0.194 0.000 1.856 88 H HN 0.202 nan 8.280 nan 0.000 0.538 89 S N 0.644 116.368 115.700 0.040 0.000 2.736 89 S HA 0.213 4.683 4.470 -0.001 0.000 0.285 89 S C -1.843 172.687 174.600 -0.117 0.000 1.163 89 S CA -0.668 57.587 58.200 0.092 0.000 1.025 89 S CB 0.233 63.662 63.200 0.382 0.000 1.030 89 S HN 0.834 nan 8.310 nan 0.000 0.486 90 H N 4.403 123.368 119.070 -0.175 0.000 2.864 90 H HA 0.424 4.980 4.556 -0.001 0.000 0.281 90 H C -0.125 174.791 175.328 -0.686 0.000 1.093 90 H CA 0.251 56.104 56.048 -0.325 0.000 1.453 90 H CB 0.238 29.843 29.762 -0.263 0.000 1.462 90 H HN 0.559 nan 8.280 nan 0.000 0.480 91 N N 5.563 123.617 118.700 -1.076 0.000 2.626 91 N HA 0.049 4.788 4.740 -0.001 0.000 0.242 91 N C -1.146 173.924 175.510 -0.732 0.000 1.005 91 N CA -0.587 51.696 53.050 -1.278 0.000 0.905 91 N CB 0.934 38.966 38.487 -0.757 0.000 1.128 91 N HN 0.653 nan 8.380 nan 0.000 0.512 92 D N 2.503 122.483 120.400 -0.700 0.000 2.371 92 D HA 0.089 4.728 4.640 -0.001 0.000 0.256 92 D C -2.059 174.296 176.300 0.091 0.000 1.193 92 D CA -0.838 53.039 54.000 -0.205 0.000 0.881 92 D CB 1.351 42.284 40.800 0.222 0.000 1.143 92 D HN 0.202 nan 8.370 nan 0.000 0.473 93 P HA 0.210 nan 4.420 nan 0.000 0.230 93 P C -0.051 177.451 177.300 0.338 0.000 1.791 93 P CA -0.055 63.054 63.100 0.014 0.000 1.020 93 P CB 0.255 31.827 31.700 -0.214 0.000 1.977 94 G N 0.514 109.696 108.800 0.637 0.000 2.911 94 G HA2 0.010 3.969 3.960 -0.001 0.000 0.686 94 G HA3 0.010 3.969 3.960 -0.001 0.000 0.686 94 G C -1.075 174.370 174.900 0.908 0.000 1.136 94 G CA -0.609 44.894 45.100 0.673 0.000 0.764 94 G HN 0.363 nan 8.290 nan 0.000 0.626 95 W N 2.353 124.006 121.300 0.589 0.000 4.511 95 W HA 0.301 4.960 4.660 -0.001 0.000 0.159 95 W C 0.863 177.571 176.519 0.316 0.000 3.471 95 W CA 0.909 58.563 57.345 0.516 0.000 1.173 95 W CB -0.731 29.110 29.460 0.635 0.000 2.090 95 W HN 0.522 nan 8.180 nan 0.000 0.393 96 I N 1.913 122.497 120.570 0.023 0.000 3.427 96 I HA 0.177 4.347 4.170 -0.001 0.000 0.288 96 I C 0.300 176.295 176.117 -0.203 0.000 1.249 96 I CA 0.950 62.083 61.300 -0.279 0.000 1.421 96 I CB -1.086 36.693 38.000 -0.368 0.000 1.086 96 I HN 0.102 nan 8.210 nan 0.000 0.448 97 Q N -0.004 119.519 119.800 -0.461 0.000 2.458 97 Q HA 0.376 4.715 4.340 -0.001 0.000 0.282 97 Q C 0.151 175.908 176.000 -0.405 0.000 1.106 97 Q CA -0.632 54.840 55.803 -0.551 0.000 0.814 97 Q CB 2.202 30.325 28.738 -1.026 0.000 1.425 97 Q HN 0.232 nan 8.270 nan 0.000 0.437 98 T N -2.119 112.304 114.554 -0.218 0.000 2.766 98 T HA 0.102 4.452 4.350 -0.001 0.000 0.295 98 T C 0.796 175.586 174.700 0.151 0.000 1.024 98 T CA -0.416 61.635 62.100 -0.081 0.000 1.018 98 T CB 0.288 69.136 68.868 -0.034 0.000 1.002 98 T HN 0.569 nan 8.240 nan 0.000 0.532 99 F N 1.151 121.173 119.950 0.119 0.000 2.065 99 F HA -0.127 4.399 4.527 -0.001 0.000 0.298 99 F C 2.484 178.465 175.800 0.302 0.000 1.112 99 F CA 2.337 60.480 58.000 0.237 0.000 1.212 99 F CB -0.358 38.676 39.000 0.056 0.000 0.975 99 F HN 0.769 nan 8.300 nan 0.000 0.476 100 E N 0.378 120.783 120.200 0.342 0.000 2.106 100 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 100 E C 2.005 178.652 176.600 0.078 0.000 0.984 100 E CA 1.669 58.211 56.400 0.237 0.000 0.806 100 E CB -0.261 29.578 29.700 0.232 0.000 0.750 100 E HN 0.612 nan 8.360 nan 0.000 0.458 101 E N -1.057 119.133 120.200 -0.016 0.000 2.051 101 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 101 E C 1.808 178.222 176.600 -0.309 0.000 0.991 101 E CA 1.180 57.421 56.400 -0.265 0.000 0.799 101 E CB -0.233 29.381 29.700 -0.143 0.000 0.748 101 E HN 0.346 nan 8.360 nan 0.000 0.449 102 Y N -0.609 119.648 120.300 -0.072 0.000 2.224 102 Y HA -0.252 4.297 4.550 -0.001 0.000 0.289 102 Y C 2.189 178.021 175.900 -0.114 0.000 1.146 102 Y CA 1.282 59.322 58.100 -0.100 0.000 1.182 102 Y CB -0.692 37.789 38.460 0.035 0.000 0.983 102 Y HN 0.193 nan 8.280 nan 0.000 0.524 103 Y N 0.889 121.195 120.300 0.011 0.000 2.128 103 Y HA -0.285 4.264 4.550 -0.001 0.000 0.284 103 Y C 2.268 178.120 175.900 -0.080 0.000 1.154 103 Y CA 1.864 59.923 58.100 -0.068 0.000 1.149 103 Y CB -0.323 38.095 38.460 -0.070 0.000 0.976 103 Y HN 0.062 nan 8.280 nan 0.000 0.505 104 Q N -0.785 118.898 119.800 -0.195 0.000 2.123 104 Q HA -0.146 4.194 4.340 -0.001 0.000 0.199 104 Q C 2.040 177.978 176.000 -0.103 0.000 0.966 104 Q CA 2.038 57.696 55.803 -0.242 0.000 0.845 104 Q CB -0.481 28.155 28.738 -0.171 0.000 0.907 104 Q HN 0.777 nan 8.270 nan 0.000 0.439 105 H N -0.803 118.281 119.070 0.024 0.000 2.497 105 H HA 0.070 4.626 4.556 -0.001 0.000 0.282 105 H C 0.898 176.319 175.328 0.155 0.000 1.003 105 H CA 0.581 56.681 56.048 0.087 0.000 1.307 105 H CB 0.711 30.489 29.762 0.026 0.000 1.437 105 H HN 0.183 nan 8.280 nan 0.000 0.544 106 D N -1.082 119.421 120.400 0.171 0.000 2.954 106 D HA 0.009 4.649 4.640 -0.001 0.000 0.266 106 D C 1.694 178.049 176.300 0.090 0.000 1.277 106 D CA 0.542 54.635 54.000 0.156 0.000 1.130 106 D CB 0.053 40.854 40.800 0.003 0.000 1.440 106 D HN 0.063 nan 8.370 nan 0.000 0.427 107 T N 2.511 117.035 114.554 -0.050 0.000 2.821 107 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 107 T C 1.935 176.465 174.700 -0.284 0.000 1.046 107 T CA 1.390 63.422 62.100 -0.113 0.000 1.139 107 T CB -0.068 68.570 68.868 -0.383 0.000 0.871 107 T HN 0.243 nan 8.240 nan 0.000 0.454 108 K N 0.799 120.841 120.400 -0.597 0.000 2.211 108 K HA -0.150 4.169 4.320 -0.001 0.000 0.203 108 K C 1.913 178.256 176.600 -0.427 0.000 1.050 108 K CA 1.382 57.299 56.287 -0.617 0.000 0.945 108 K CB -0.362 31.552 32.500 -0.976 0.000 0.732 108 K HN 0.399 nan 8.250 nan 0.000 0.451 109 H N 1.044 120.040 119.070 -0.124 0.000 2.363 109 H HA 0.052 4.607 4.556 -0.001 0.000 0.301 109 H C 2.299 177.630 175.328 0.005 0.000 1.074 109 H CA 1.406 57.441 56.048 -0.023 0.000 1.354 109 H CB -0.167 29.607 29.762 0.020 0.000 1.397 109 H HN 0.186 nan 8.280 nan 0.000 0.516 110 I N 0.799 121.451 120.570 0.138 0.000 2.163 110 I HA -0.275 3.894 4.170 -0.001 0.000 0.243 110 I C 2.432 178.569 176.117 0.034 0.000 1.085 110 I CA 1.137 62.565 61.300 0.213 0.000 1.347 110 I CB -0.277 37.920 38.000 0.329 0.000 1.044 110 I HN 0.089 nan 8.210 nan 0.000 0.408 111 L N -0.493 120.528 121.223 -0.337 0.000 2.093 111 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 111 L C 2.715 179.237 176.870 -0.580 0.000 1.085 111 L CA 1.142 55.544 54.840 -0.729 0.000 0.755 111 L CB -0.528 40.531 42.059 -1.667 0.000 0.904 111 L HN 0.227 nan 8.230 nan 0.000 0.435 112 S N 0.166 115.643 115.700 -0.372 0.000 2.368 112 S HA -0.144 4.325 4.470 -0.001 0.000 0.225 112 S C 1.805 176.373 174.600 -0.054 0.000 1.030 112 S CA 1.474 59.692 58.200 0.030 0.000 0.999 112 S CB -0.150 63.138 63.200 0.146 0.000 0.844 112 S HN 0.442 nan 8.310 nan 0.000 0.459 113 N N 1.471 120.132 118.700 -0.066 0.000 2.354 113 N HA 0.142 4.882 4.740 -0.001 0.000 0.179 113 N C 1.769 176.937 175.510 -0.571 0.000 1.021 113 N CA 1.050 53.989 53.050 -0.185 0.000 0.887 113 N CB -0.693 37.801 38.487 0.013 0.000 0.974 113 N HN 0.487 nan 8.380 nan 0.000 0.437 114 A N 1.064 123.616 122.820 -0.446 0.000 1.898 114 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 114 A C 2.179 179.469 177.584 -0.490 0.000 1.181 114 A CA 0.854 52.440 52.037 -0.752 0.000 0.620 114 A CB -0.645 18.192 19.000 -0.271 0.000 0.819 114 A HN 0.216 nan 8.150 nan 0.000 0.442 115 L N 0.167 121.252 121.223 -0.229 0.000 2.017 115 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 115 L C 2.462 179.258 176.870 -0.123 0.000 1.073 115 L CA 2.523 57.306 54.840 -0.094 0.000 0.745 115 L CB -0.650 41.425 42.059 0.026 0.000 0.894 115 L HN 0.497 nan 8.230 nan 0.000 0.432 116 R N -1.714 118.685 120.500 -0.169 0.000 2.066 116 R HA -0.213 4.127 4.340 -0.001 0.000 0.232 116 R C 2.485 178.684 176.300 -0.168 0.000 1.131 116 R CA 1.607 57.627 56.100 -0.133 0.000 0.955 116 R CB -0.677 29.552 30.300 -0.118 0.000 0.851 116 R HN 0.581 nan 8.270 nan 0.000 0.432 117 H N 0.761 119.536 119.070 -0.491 0.000 2.326 117 H HA -0.057 4.498 4.556 -0.001 0.000 0.301 117 H C 2.194 177.301 175.328 -0.369 0.000 1.081 117 H CA 1.815 57.552 56.048 -0.518 0.000 1.334 117 H CB 0.041 29.216 29.762 -0.979 0.000 1.385 117 H HN 0.214 nan 8.280 nan 0.000 0.504 118 L N -0.129 120.913 121.223 -0.302 0.000 2.046 118 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 118 L C 2.794 179.613 176.870 -0.085 0.000 1.077 118 L CA 1.384 56.130 54.840 -0.158 0.000 0.747 118 L CB -0.858 41.127 42.059 -0.125 0.000 0.896 118 L HN 0.442 nan 8.230 nan 0.000 0.432 119 H N 0.586 119.570 119.070 -0.143 0.000 2.352 119 H HA -0.204 4.352 4.556 -0.001 0.000 0.299 119 H C 1.340 176.603 175.328 -0.107 0.000 1.097 119 H CA 2.073 58.065 56.048 -0.094 0.000 1.311 119 H CB 0.224 29.939 29.762 -0.079 0.000 1.377 119 H HN 0.339 nan 8.280 nan 0.000 0.504 120 D N 0.153 120.475 120.400 -0.130 0.000 2.323 120 D HA -0.024 4.616 4.640 -0.001 0.000 0.209 120 D C -0.045 176.127 176.300 -0.213 0.000 0.973 120 D CA 0.522 54.407 54.000 -0.190 0.000 0.874 120 D CB -0.129 40.581 40.800 -0.150 0.000 0.930 120 D HN 0.402 nan 8.370 nan 0.000 0.521 121 N N 0.304 118.877 118.700 -0.212 0.000 2.746 121 N HA 0.189 4.929 4.740 -0.001 0.000 0.250 121 N C -2.207 173.264 175.510 -0.065 0.000 1.146 121 N CA -1.145 51.825 53.050 -0.134 0.000 0.828 121 N CB 2.212 40.604 38.487 -0.159 0.000 1.158 121 N HN -0.203 nan 8.380 nan 0.000 0.519 122 P HA -0.224 nan 4.420 nan 0.000 0.220 122 P C 1.141 178.459 177.300 0.030 0.000 1.144 122 P CA 1.112 64.198 63.100 -0.024 0.000 0.800 122 P CB 0.311 31.991 31.700 -0.033 0.000 0.772 123 E N -1.174 119.073 120.200 0.078 0.000 2.442 123 E HA -0.018 4.331 4.350 -0.001 0.000 0.195 123 E C 0.786 177.516 176.600 0.216 0.000 1.030 123 E CA 0.201 56.697 56.400 0.159 0.000 0.869 123 E CB -0.592 29.237 29.700 0.215 0.000 0.857 123 E HN 0.168 nan 8.360 nan 0.000 0.505 124 M N 1.968 121.631 119.600 0.105 0.000 2.242 124 M HA 0.213 4.693 4.480 -0.001 0.000 0.344 124 M C -0.497 175.791 176.300 -0.019 0.000 1.140 124 M CA -0.053 55.218 55.300 -0.047 0.000 1.160 124 M CB 0.756 33.344 32.600 -0.020 0.000 1.491 124 M HN -0.274 nan 8.290 nan 0.000 0.459 125 K N 2.924 123.274 120.400 -0.083 0.000 2.433 125 K HA 0.668 4.988 4.320 -0.001 0.000 0.252 125 K C -1.709 174.931 176.600 0.067 0.000 1.015 125 K CA -0.474 55.822 56.287 0.015 0.000 0.860 125 K CB 2.101 34.633 32.500 0.054 0.000 1.359 125 K HN 0.675 nan 8.250 nan 0.000 0.452 126 F N 1.228 121.099 119.950 -0.132 0.000 2.672 126 F HA 0.434 4.961 4.527 -0.001 0.000 0.311 126 F C -1.512 174.185 175.800 -0.172 0.000 1.113 126 F CA -1.258 56.651 58.000 -0.151 0.000 0.996 126 F CB 0.998 39.990 39.000 -0.013 0.000 1.286 126 F HN 0.452 nan 8.300 nan 0.000 0.441 127 I N 1.713 121.959 120.570 -0.540 0.000 2.648 127 I HA 0.615 4.784 4.170 -0.001 0.000 0.304 127 I C -1.742 173.948 176.117 -0.712 0.000 1.009 127 I CA -0.623 60.318 61.300 -0.600 0.000 1.114 127 I CB 2.559 40.142 38.000 -0.695 0.000 1.293 127 I HN 0.696 nan 8.210 nan 0.000 0.449 128 W N 4.416 125.325 121.300 -0.652 0.000 2.957 128 W HA 0.634 5.294 4.660 -0.001 0.000 0.336 128 W C -0.757 175.676 176.519 -0.144 0.000 1.087 128 W CA -0.530 56.562 57.345 -0.421 0.000 1.235 128 W CB 2.681 31.948 29.460 -0.321 0.000 1.399 128 W HN 0.789 nan 8.180 nan 0.000 0.480 129 A N 3.429 125.884 122.820 -0.610 0.000 1.984 129 A HA 0.156 4.476 4.320 -0.001 0.000 0.203 129 A C 0.004 177.543 177.584 -0.075 0.000 1.292 129 A CA 0.472 52.389 52.037 -0.200 0.000 0.782 129 A CB -0.010 18.924 19.000 -0.110 0.000 0.924 129 A HN 0.511 nan 8.150 nan 0.000 0.475 130 E N 1.077 121.125 120.200 -0.254 0.000 2.001 130 E HA 0.293 4.643 4.350 -0.001 0.000 0.279 130 E C 0.440 177.205 176.600 0.275 0.000 1.045 130 E CA -0.276 56.146 56.400 0.036 0.000 0.833 130 E CB 0.712 30.425 29.700 0.021 0.000 1.077 130 E HN 0.283 nan 8.360 nan 0.000 0.397 131 I N 1.563 122.193 120.570 0.100 0.000 2.676 131 I HA -0.197 3.972 4.170 -0.001 0.000 0.259 131 I C 1.970 177.736 176.117 -0.585 0.000 1.194 131 I CA 0.909 62.188 61.300 -0.035 0.000 1.473 131 I CB -1.390 36.641 38.000 0.052 0.000 1.096 131 I HN 0.418 nan 8.210 nan 0.000 0.443 132 S N 0.851 115.912 115.700 -1.065 0.000 2.365 132 S HA -0.265 4.205 4.470 -0.001 0.000 0.225 132 S C 2.194 176.509 174.600 -0.476 0.000 1.039 132 S CA 1.314 58.534 58.200 -1.634 0.000 1.033 132 S CB -1.165 61.144 63.200 -1.486 0.000 0.887 132 S HN 0.473 nan 8.310 nan 0.000 0.447 133 Y N 0.121 120.441 120.300 0.033 0.000 2.200 133 Y HA 0.035 4.585 4.550 -0.001 0.000 0.290 133 Y C 2.309 178.258 175.900 0.082 0.000 1.137 133 Y CA 1.074 59.288 58.100 0.190 0.000 1.163 133 Y CB -0.408 38.266 38.460 0.357 0.000 0.988 133 Y HN 0.296 nan 8.280 nan 0.000 0.518 134 F N 0.198 120.213 119.950 0.108 0.000 2.134 134 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 134 F C 2.320 177.930 175.800 -0.317 0.000 1.097 134 F CA 1.221 59.151 58.000 -0.116 0.000 1.264 134 F CB -0.439 38.480 39.000 -0.135 0.000 1.001 134 F HN -0.021 nan 8.300 nan 0.000 0.479 135 A N 0.101 122.548 122.820 -0.621 0.000 1.930 135 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 135 A C 2.146 179.590 177.584 -0.232 0.000 1.175 135 A CA 1.642 53.135 52.037 -0.907 0.000 0.627 135 A CB -0.719 17.613 19.000 -1.113 0.000 0.815 135 A HN 0.378 nan 8.150 nan 0.000 0.443 136 R N -1.017 119.393 120.500 -0.149 0.000 2.105 136 R HA -0.136 4.204 4.340 -0.001 0.000 0.239 136 R C 1.711 177.939 176.300 -0.119 0.000 1.135 136 R CA 2.027 58.050 56.100 -0.129 0.000 0.967 136 R CB -0.806 29.356 30.300 -0.230 0.000 0.861 136 R HN 0.494 nan 8.270 nan 0.000 0.442 137 F N -0.390 119.464 119.950 -0.161 0.000 2.118 137 F HA -0.072 4.454 4.527 -0.001 0.000 0.293 137 F C 1.968 177.678 175.800 -0.150 0.000 1.102 137 F CA 1.482 59.452 58.000 -0.050 0.000 1.247 137 F CB -0.818 38.086 39.000 -0.161 0.000 1.017 137 F HN 0.119 nan 8.300 nan 0.000 0.475 138 Y N 0.188 120.240 120.300 -0.413 0.000 2.181 138 Y HA -0.276 4.274 4.550 -0.001 0.000 0.288 138 Y C 2.659 178.361 175.900 -0.331 0.000 1.146 138 Y CA 2.251 60.101 58.100 -0.417 0.000 1.164 138 Y CB -0.724 37.605 38.460 -0.217 0.000 0.982 138 Y HN 0.129 nan 8.280 nan 0.000 0.515 139 H N -0.562 118.509 119.070 0.001 0.000 2.491 139 H HA -0.091 4.465 4.556 -0.001 0.000 0.290 139 H C 1.039 176.253 175.328 -0.190 0.000 1.050 139 H CA 1.530 57.535 56.048 -0.071 0.000 1.309 139 H CB -0.105 29.676 29.762 0.031 0.000 1.392 139 H HN 0.473 nan 8.280 nan 0.000 0.554 140 D N 0.028 120.339 120.400 -0.148 0.000 2.349 140 D HA 0.071 4.710 4.640 -0.001 0.000 0.215 140 D C 0.592 176.714 176.300 -0.296 0.000 1.016 140 D CA 0.050 53.945 54.000 -0.175 0.000 0.870 140 D CB 0.294 41.022 40.800 -0.120 0.000 0.917 140 D HN 0.187 nan 8.370 nan 0.000 0.524 141 L N 0.685 121.632 121.223 -0.461 0.000 2.397 141 L HA 0.304 4.644 4.340 -0.001 0.000 0.271 141 L C 1.384 178.066 176.870 -0.313 0.000 1.148 141 L CA -0.591 53.975 54.840 -0.456 0.000 0.825 141 L CB 0.890 42.608 42.059 -0.568 0.000 1.117 141 L HN -0.019 nan 8.230 nan 0.000 0.456 142 G N 0.999 109.666 108.800 -0.222 0.000 2.636 142 G HA2 0.005 3.964 3.960 -0.001 0.000 0.246 142 G HA3 0.005 3.964 3.960 -0.001 0.000 0.246 142 G C 0.670 175.477 174.900 -0.154 0.000 1.216 142 G CA -0.285 44.723 45.100 -0.153 0.000 0.854 142 G HN 0.811 nan 8.290 nan 0.000 0.572 143 E N 0.198 120.335 120.200 -0.104 0.000 2.118 143 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 143 E C 2.209 178.774 176.600 -0.058 0.000 0.992 143 E CA 1.581 57.935 56.400 -0.076 0.000 0.804 143 E CB -0.109 29.570 29.700 -0.035 0.000 0.741 143 E HN 0.590 nan 8.360 nan 0.000 0.458 144 N N 0.105 118.771 118.700 -0.056 0.000 2.084 144 N HA -0.184 4.555 4.740 -0.001 0.000 0.190 144 N C 1.409 176.887 175.510 -0.054 0.000 1.030 144 N CA 1.273 54.297 53.050 -0.045 0.000 0.849 144 N CB 0.024 38.482 38.487 -0.048 0.000 1.012 144 N HN 0.026 nan 8.380 nan 0.000 0.423 145 K N 1.271 121.621 120.400 -0.083 0.000 2.103 145 K HA -0.016 4.303 4.320 -0.001 0.000 0.204 145 K C 2.019 178.590 176.600 -0.048 0.000 1.052 145 K CA 0.627 56.866 56.287 -0.081 0.000 0.945 145 K CB -0.199 32.234 32.500 -0.112 0.000 0.722 145 K HN 0.320 nan 8.250 nan 0.000 0.443 146 K N 0.797 121.134 120.400 -0.105 0.000 2.063 146 K HA -0.080 4.240 4.320 -0.001 0.000 0.208 146 K C 2.253 178.924 176.600 0.117 0.000 1.048 146 K CA 1.089 57.341 56.287 -0.058 0.000 0.928 146 K CB -0.201 32.175 32.500 -0.207 0.000 0.713 146 K HN 0.049 nan 8.250 nan 0.000 0.442 147 L N 1.000 122.263 121.223 0.067 0.000 2.056 147 L HA -0.213 4.127 4.340 -0.001 0.000 0.207 147 L C 2.562 179.493 176.870 0.101 0.000 1.078 147 L CA 1.259 56.154 54.840 0.091 0.000 0.749 147 L CB -0.394 41.698 42.059 0.055 0.000 0.901 147 L HN 0.252 nan 8.230 nan 0.000 0.433 148 Q N -0.828 119.013 119.800 0.069 0.000 2.084 148 Q HA -0.271 4.069 4.340 -0.001 0.000 0.202 148 Q C 2.216 178.299 176.000 0.138 0.000 0.978 148 Q CA 1.731 57.583 55.803 0.081 0.000 0.844 148 Q CB -0.212 28.515 28.738 -0.019 0.000 0.898 148 Q HN 0.366 nan 8.270 nan 0.000 0.426 149 M N 1.181 120.887 119.600 0.176 0.000 2.086 149 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 149 M C 1.628 178.100 176.300 0.288 0.000 1.067 149 M CA 1.754 57.220 55.300 0.277 0.000 1.116 149 M CB 0.019 32.861 32.600 0.405 0.000 1.348 149 M HN -0.092 nan 8.290 nan 0.000 0.407 150 K N -0.373 120.194 120.400 0.278 0.000 2.147 150 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 150 K C 2.096 178.792 176.600 0.161 0.000 1.049 150 K CA 1.697 58.123 56.287 0.232 0.000 0.936 150 K CB -0.407 32.215 32.500 0.204 0.000 0.722 150 K HN 0.614 nan 8.250 nan 0.000 0.446 151 S N 1.718 117.502 115.700 0.140 0.000 2.368 151 S HA -0.125 4.344 4.470 -0.001 0.000 0.224 151 S C 2.128 176.783 174.600 0.092 0.000 1.029 151 S CA 1.100 59.363 58.200 0.104 0.000 0.988 151 S CB -0.701 62.560 63.200 0.102 0.000 0.838 151 S HN 0.455 nan 8.310 nan 0.000 0.462 152 I N -0.384 120.250 120.570 0.107 0.000 2.676 152 I HA 0.067 4.236 4.170 -0.001 0.000 0.259 152 I C 1.970 178.120 176.117 0.055 0.000 1.194 152 I CA 0.579 61.924 61.300 0.074 0.000 1.473 152 I CB -0.419 37.625 38.000 0.073 0.000 1.096 152 I HN 0.148 nan 8.210 nan 0.000 0.443 153 V N 1.528 121.494 119.914 0.087 0.000 2.379 153 V HA -0.171 3.949 4.120 -0.001 0.000 0.243 153 V C 2.687 178.816 176.094 0.058 0.000 1.035 153 V CA 1.913 64.252 62.300 0.065 0.000 1.035 153 V CB -0.669 31.254 31.823 0.168 0.000 0.673 153 V HN 0.422 nan 8.190 nan 0.000 0.457 154 K N 0.452 120.895 120.400 0.072 0.000 2.147 154 K HA -0.160 4.160 4.320 -0.001 0.000 0.205 154 K C 1.543 178.160 176.600 0.029 0.000 1.049 154 K CA 1.527 57.844 56.287 0.049 0.000 0.936 154 K CB -0.089 32.442 32.500 0.052 0.000 0.722 154 K HN 0.437 nan 8.250 nan 0.000 0.446 155 N N -0.384 118.333 118.700 0.029 0.000 2.322 155 N HA 0.022 4.762 4.740 -0.001 0.000 0.194 155 N C 0.594 176.108 175.510 0.006 0.000 1.126 155 N CA 0.961 54.021 53.050 0.016 0.000 0.845 155 N CB 1.147 39.645 38.487 0.018 0.000 0.976 155 N HN 0.456 nan 8.380 nan 0.000 0.475 156 G N 1.112 109.912 108.800 -0.000 0.000 2.157 156 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.248 156 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.248 156 G C 0.886 175.773 174.900 -0.021 0.000 0.979 156 G CA 0.262 45.352 45.100 -0.018 0.000 0.650 156 G HN 0.369 nan 8.290 nan 0.000 0.529 157 Q N -0.957 118.838 119.800 -0.010 0.000 2.062 157 Q HA 0.253 4.593 4.340 -0.001 0.000 0.196 157 Q C 1.499 177.491 176.000 -0.013 0.000 0.967 157 Q CA 0.897 56.699 55.803 -0.002 0.000 0.832 157 Q CB 0.341 29.083 28.738 0.007 0.000 0.899 157 Q HN 0.605 nan 8.270 nan 0.000 0.442 158 L N 1.529 122.726 121.223 -0.044 0.000 2.272 158 L HA 0.355 4.694 4.340 -0.001 0.000 0.289 158 L C -1.018 175.679 176.870 -0.287 0.000 1.032 158 L CA -0.296 54.472 54.840 -0.121 0.000 0.810 158 L CB 1.284 43.279 42.059 -0.107 0.000 1.205 158 L HN 0.031 nan 8.230 nan 0.000 0.422 159 E N 4.559 124.549 120.200 -0.350 0.000 2.210 159 E HA 0.352 4.702 4.350 -0.001 0.000 0.266 159 E C -1.557 174.762 176.600 -0.469 0.000 0.883 159 E CA -0.751 55.441 56.400 -0.347 0.000 0.761 159 E CB 1.465 31.043 29.700 -0.204 0.000 1.156 159 E HN 0.517 nan 8.360 nan 0.000 0.412 160 F N 3.165 123.065 119.950 -0.083 0.000 2.412 160 F HA 0.236 4.763 4.527 -0.001 0.000 0.348 160 F C 0.279 176.043 175.800 -0.060 0.000 1.102 160 F CA -0.549 57.413 58.000 -0.063 0.000 1.196 160 F CB 1.246 40.220 39.000 -0.043 0.000 1.144 160 F HN 0.193 nan 8.300 nan 0.000 0.541 161 V N -0.026 119.940 119.914 0.087 0.000 2.495 161 V HA 0.609 4.729 4.120 -0.001 0.000 0.298 161 V C 0.207 176.421 176.094 0.200 0.000 1.031 161 V CA -0.530 61.815 62.300 0.075 0.000 0.871 161 V CB 0.894 32.641 31.823 -0.127 0.000 0.988 161 V HN 0.997 nan 8.190 nan 0.000 0.432 162 T N 3.225 117.973 114.554 0.323 0.000 12.940 162 T HA -0.310 4.040 4.350 -0.001 0.000 0.419 162 T C 1.736 176.663 174.700 0.379 0.000 1.444 162 T CA 2.938 65.280 62.100 0.404 0.000 2.373 162 T CB -1.679 67.332 68.868 0.238 0.000 2.821 162 T HN 2.790 nan 8.240 nan 0.000 0.696 163 G N 1.811 110.774 108.800 0.270 0.000 2.136 163 G HA2 0.113 4.072 3.960 -0.001 0.000 0.242 163 G HA3 0.113 4.072 3.960 -0.001 0.000 0.242 163 G C 0.295 175.338 174.900 0.239 0.000 0.989 163 G CA 0.571 45.809 45.100 0.230 0.000 0.682 163 G HN 1.552 nan 8.290 nan 0.000 0.522 164 G N -1.643 107.296 108.800 0.232 0.000 2.572 164 G HA2 0.376 4.335 3.960 -0.001 0.000 0.261 164 G HA3 0.376 4.335 3.960 -0.001 0.000 0.261 164 G C 0.973 176.050 174.900 0.296 0.000 1.197 164 G CA 0.157 45.407 45.100 0.249 0.000 0.870 164 G HN 0.331 nan 8.290 nan 0.000 0.548 165 W N 0.384 121.732 121.300 0.079 0.000 2.342 165 W HA -0.049 4.610 4.660 -0.001 0.000 0.297 165 W C 0.720 177.271 176.519 0.053 0.000 1.213 165 W CA 1.903 59.279 57.345 0.053 0.000 1.251 165 W CB 0.248 29.722 29.460 0.023 0.000 1.136 165 W HN 0.404 nan 8.180 nan 0.000 0.526 166 V N -2.721 117.316 119.914 0.205 0.000 3.105 166 V HA 0.500 4.619 4.120 -0.001 0.000 0.311 166 V C -0.438 175.744 176.094 0.147 0.000 1.287 166 V CA -1.289 61.076 62.300 0.109 0.000 1.066 166 V CB 1.725 33.628 31.823 0.133 0.000 1.105 166 V HN -0.053 nan 8.190 nan 0.000 0.462 167 M N 4.011 123.724 119.600 0.188 0.000 2.152 167 M HA 0.510 4.990 4.480 -0.001 0.000 0.354 167 M C -2.687 173.778 176.300 0.276 0.000 1.173 167 M CA -1.906 53.526 55.300 0.219 0.000 1.110 167 M CB 1.418 34.172 32.600 0.256 0.000 1.366 167 M HN 0.646 nan 8.290 nan 0.000 0.415 168 P HA 0.106 nan 4.420 nan 0.000 0.274 168 P C -0.914 176.407 177.300 0.036 0.000 1.231 168 P CA -0.139 63.020 63.100 0.099 0.000 0.790 168 P CB 0.569 32.311 31.700 0.071 0.000 0.951 169 D N 0.941 121.324 120.400 -0.029 0.000 2.478 169 D HA -0.084 4.555 4.640 -0.001 0.000 0.234 169 D C 0.693 177.010 176.300 0.028 0.000 1.154 169 D CA 0.695 54.658 54.000 -0.062 0.000 0.874 169 D CB 0.442 41.213 40.800 -0.048 0.000 1.198 169 D HN 0.324 nan 8.370 nan 0.000 0.455 170 E N 1.303 121.563 120.200 0.100 0.000 2.526 170 E HA 0.199 4.549 4.350 -0.001 0.000 0.208 170 E C 0.831 177.608 176.600 0.296 0.000 0.997 170 E CA 0.027 56.549 56.400 0.204 0.000 0.961 170 E CB 0.707 30.546 29.700 0.231 0.000 1.030 170 E HN 0.465 nan 8.360 nan 0.000 0.483 171 A N 1.418 124.363 122.820 0.208 0.000 1.901 171 A HA 0.031 4.350 4.320 -0.001 0.000 0.210 171 A C 1.813 179.288 177.584 -0.180 0.000 1.208 171 A CA 0.553 52.488 52.037 -0.170 0.000 0.644 171 A CB 0.057 18.933 19.000 -0.206 0.000 0.863 171 A HN 0.028 nan 8.150 nan 0.000 0.454 172 N N 0.659 119.344 118.700 -0.024 0.000 2.356 172 N HA 0.012 4.751 4.740 -0.001 0.000 0.178 172 N C 0.438 175.941 175.510 -0.013 0.000 1.075 172 N CA 0.745 53.775 53.050 -0.035 0.000 0.889 172 N CB 0.081 38.594 38.487 0.042 0.000 0.999 172 N HN 0.494 nan 8.380 nan 0.000 0.464 173 S N 0.822 116.525 115.700 0.005 0.000 2.562 173 S HA 0.023 4.493 4.470 -0.001 0.000 0.281 173 S C 0.041 174.655 174.600 0.023 0.000 1.333 173 S CA -0.533 57.681 58.200 0.022 0.000 1.052 173 S CB 1.064 64.281 63.200 0.028 0.000 0.884 173 S HN 0.206 nan 8.310 nan 0.000 0.506 174 H N 3.477 122.527 119.070 -0.032 0.000 2.582 174 H HA 0.042 4.598 4.556 -0.001 0.000 0.345 174 H C 1.279 176.582 175.328 -0.042 0.000 1.104 174 H CA -0.230 55.785 56.048 -0.055 0.000 1.390 174 H CB 0.527 30.205 29.762 -0.140 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.762 126.962 121.300 -0.168 0.000 2.325 175 W HA -0.186 4.473 4.660 -0.001 0.000 0.299 175 W C 1.118 177.705 176.519 0.113 0.000 1.215 175 W CA 0.472 57.797 57.345 -0.032 0.000 1.244 175 W CB -0.514 28.870 29.460 -0.127 0.000 1.140 175 W HN 0.535 nan 8.180 nan 0.000 0.523 176 R N 0.802 120.939 120.500 -0.605 0.000 2.096 176 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 176 R C 2.014 178.157 176.300 -0.261 0.000 1.127 176 R CA 1.904 57.557 56.100 -0.745 0.000 0.968 176 R CB -0.419 29.374 30.300 -0.845 0.000 0.861 176 R HN 0.160 nan 8.270 nan 0.000 0.440 177 N N -0.203 118.425 118.700 -0.121 0.000 2.376 177 N HA -0.057 4.683 4.740 -0.001 0.000 0.177 177 N C 1.712 177.226 175.510 0.007 0.000 1.024 177 N CA 0.694 53.713 53.050 -0.051 0.000 0.893 177 N CB 0.006 38.481 38.487 -0.019 0.000 0.980 177 N HN 0.003 nan 8.380 nan 0.000 0.439 178 V N 1.427 121.369 119.914 0.047 0.000 2.343 178 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 178 V C 2.313 178.452 176.094 0.075 0.000 1.051 178 V CA 1.064 63.410 62.300 0.076 0.000 1.036 178 V CB -0.452 31.436 31.823 0.108 0.000 0.654 178 V HN 0.191 nan 8.190 nan 0.000 0.451 179 L N -0.330 120.946 121.223 0.088 0.000 2.093 179 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 179 L C 2.156 179.037 176.870 0.019 0.000 1.085 179 L CA 1.749 56.634 54.840 0.075 0.000 0.755 179 L CB -0.644 41.494 42.059 0.132 0.000 0.904 179 L HN 0.280 nan 8.230 nan 0.000 0.435 180 L N -0.048 121.165 121.223 -0.017 0.000 2.012 180 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 180 L C 2.573 179.434 176.870 -0.016 0.000 1.073 180 L CA 2.329 57.147 54.840 -0.036 0.000 0.748 180 L CB -0.734 41.285 42.059 -0.067 0.000 0.891 180 L HN 0.672 nan 8.230 nan 0.000 0.431 181 Q N -0.987 118.826 119.800 0.022 0.000 2.172 181 Q HA -0.188 4.152 4.340 -0.001 0.000 0.200 181 Q C 2.026 178.108 176.000 0.137 0.000 0.964 181 Q CA 1.986 57.835 55.803 0.077 0.000 0.855 181 Q CB -1.154 27.666 28.738 0.137 0.000 0.918 181 Q HN 0.466 nan 8.270 nan 0.000 0.444 182 L N 0.876 122.166 121.223 0.112 0.000 2.017 182 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 182 L C 1.933 178.883 176.870 0.134 0.000 1.073 182 L CA 2.478 57.398 54.840 0.133 0.000 0.745 182 L CB -1.007 41.108 42.059 0.093 0.000 0.894 182 L HN 0.341 nan 8.230 nan 0.000 0.432 183 T N -1.061 113.540 114.554 0.077 0.000 2.821 183 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 183 T C 1.724 176.474 174.700 0.084 0.000 1.046 183 T CA 1.383 63.521 62.100 0.064 0.000 1.139 183 T CB -0.154 68.721 68.868 0.012 0.000 0.871 183 T HN 0.329 nan 8.240 nan 0.000 0.454 184 E N 1.013 121.236 120.200 0.039 0.000 2.051 184 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 184 E C 2.341 179.063 176.600 0.204 0.000 0.991 184 E CA 1.514 57.891 56.400 -0.038 0.000 0.799 184 E CB -0.839 28.644 29.700 -0.363 0.000 0.748 184 E HN 0.446 nan 8.360 nan 0.000 0.449 185 G N -0.131 108.895 108.800 0.378 0.000 2.402 185 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 185 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 185 G C 1.493 176.617 174.900 0.374 0.000 1.162 185 G CA 0.638 46.053 45.100 0.525 0.000 0.777 185 G HN 0.255 nan 8.290 nan 0.000 0.539 186 Q N -0.143 119.810 119.800 0.255 0.000 2.172 186 Q HA -0.061 4.278 4.340 -0.001 0.000 0.200 186 Q C 2.822 178.916 176.000 0.158 0.000 0.964 186 Q CA 1.453 57.364 55.803 0.181 0.000 0.855 186 Q CB -0.232 28.594 28.738 0.146 0.000 0.918 186 Q HN 0.412 nan 8.270 nan 0.000 0.444 187 T N 0.269 114.925 114.554 0.170 0.000 2.746 187 T HA -0.198 4.152 4.350 -0.001 0.000 0.267 187 T C 1.102 175.892 174.700 0.150 0.000 1.039 187 T CA 1.195 63.370 62.100 0.125 0.000 1.142 187 T CB -0.418 68.520 68.868 0.116 0.000 0.866 187 T HN 0.475 nan 8.240 nan 0.000 0.444 188 W N 1.605 123.000 121.300 0.159 0.000 2.335 188 W HA -0.075 4.584 4.660 -0.001 0.000 0.311 188 W C 1.825 178.450 176.519 0.176 0.000 1.213 188 W CA 0.993 58.510 57.345 0.286 0.000 1.274 188 W CB -0.465 29.241 29.460 0.410 0.000 1.148 188 W HN 0.151 nan 8.180 nan 0.000 0.498 189 L N 0.563 121.973 121.223 0.312 0.000 2.046 189 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 189 L C 2.598 179.389 176.870 -0.133 0.000 1.077 189 L CA 1.889 56.744 54.840 0.026 0.000 0.747 189 L CB -0.948 41.079 42.059 -0.053 0.000 0.896 189 L HN -0.013 nan 8.230 nan 0.000 0.432 190 K N 0.009 120.351 120.400 -0.095 0.000 2.057 190 K HA -0.255 4.065 4.320 -0.001 0.000 0.206 190 K C 2.202 178.652 176.600 -0.249 0.000 1.050 190 K CA 1.538 57.747 56.287 -0.130 0.000 0.935 190 K CB -0.014 32.438 32.500 -0.080 0.000 0.715 190 K HN 0.250 nan 8.250 nan 0.000 0.439 191 Q N -0.768 118.802 119.800 -0.382 0.000 2.046 191 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 191 Q C 1.492 176.966 176.000 -0.877 0.000 0.975 191 Q CA 1.744 57.153 55.803 -0.657 0.000 0.836 191 Q CB 0.034 28.232 28.738 -0.901 0.000 0.896 191 Q HN 0.345 nan 8.270 nan 0.000 0.428 192 F N -1.439 118.121 119.950 -0.650 0.000 2.582 192 F HA 0.143 4.669 4.527 -0.001 0.000 0.290 192 F C 1.827 177.337 175.800 -0.484 0.000 1.115 192 F CA 0.144 57.708 58.000 -0.726 0.000 1.445 192 F CB 0.432 38.511 39.000 -1.534 0.000 1.126 192 F HN 0.069 nan 8.300 nan 0.000 0.574 193 M N -0.810 118.643 119.600 -0.245 0.000 2.308 193 M HA 0.193 4.672 4.480 -0.001 0.000 0.269 193 M C 0.223 176.504 176.300 -0.032 0.000 1.040 193 M CA 0.286 55.552 55.300 -0.057 0.000 1.024 193 M CB -0.601 32.001 32.600 0.003 0.000 1.465 193 M HN 0.093 nan 8.290 nan 0.000 0.517 194 N N 2.050 120.694 118.700 -0.094 0.000 2.727 194 N HA -0.135 4.604 4.740 -0.001 0.000 0.249 194 N C -1.013 174.478 175.510 -0.031 0.000 1.048 194 N CA 0.676 53.685 53.050 -0.067 0.000 0.714 194 N CB -0.979 37.481 38.487 -0.044 0.000 0.959 194 N HN 0.371 nan 8.380 nan 0.000 0.544 195 V N -3.929 115.968 119.914 -0.028 0.000 3.049 195 V HA 0.871 4.991 4.120 -0.001 0.000 0.309 195 V C 0.013 176.093 176.094 -0.023 0.000 1.148 195 V CA -0.506 61.793 62.300 -0.002 0.000 0.990 195 V CB 2.347 34.215 31.823 0.075 0.000 1.039 195 V HN 0.052 nan 8.190 nan 0.000 0.430 196 T N 3.682 118.213 114.554 -0.039 0.000 2.930 196 T HA 0.575 4.924 4.350 -0.001 0.000 0.313 196 T C -2.756 171.864 174.700 -0.135 0.000 1.019 196 T CA -0.751 61.307 62.100 -0.071 0.000 1.004 196 T CB 1.383 70.199 68.868 -0.086 0.000 0.987 196 T HN 0.762 nan 8.240 nan 0.000 0.456 197 P HA 0.175 nan 4.420 nan 0.000 0.266 197 P C 0.850 177.766 177.300 -0.641 0.000 1.195 197 P CA -0.163 62.817 63.100 -0.199 0.000 0.768 197 P CB 0.545 32.241 31.700 -0.008 0.000 0.838 198 T N -1.795 112.436 114.554 -0.538 0.000 3.040 198 T HA 0.541 4.891 4.350 -0.001 0.000 0.266 198 T C 0.338 174.856 174.700 -0.303 0.000 1.005 198 T CA -0.273 61.393 62.100 -0.723 0.000 0.906 198 T CB 0.138 68.788 68.868 -0.363 0.000 1.082 198 T HN 0.412 nan 8.240 nan 0.000 0.531 199 A N 0.847 123.645 122.820 -0.036 0.000 2.355 199 A HA 0.803 5.123 4.320 -0.001 0.000 0.317 199 A C -0.191 177.654 177.584 0.434 0.000 1.094 199 A CA -0.704 51.461 52.037 0.213 0.000 0.764 199 A CB 1.842 20.980 19.000 0.230 0.000 1.230 199 A HN 0.259 nan 8.150 nan 0.000 0.448 200 S N 2.059 118.007 115.700 0.413 0.000 2.549 200 S HA 0.678 5.147 4.470 -0.001 0.000 0.297 200 S C -1.149 173.646 174.600 0.325 0.000 1.115 200 S CA -0.434 57.954 58.200 0.314 0.000 1.059 200 S CB 0.773 63.991 63.200 0.030 0.000 1.046 200 S HN 0.803 nan 8.310 nan 0.000 0.506 201 W N 4.591 125.910 121.300 0.032 0.000 2.499 201 W HA 0.637 5.296 4.660 -0.001 0.000 0.320 201 W C -1.465 175.007 176.519 -0.078 0.000 1.010 201 W CA -0.846 56.471 57.345 -0.047 0.000 1.267 201 W CB 1.166 30.570 29.460 -0.093 0.000 1.316 201 W HN 0.786 nan 8.180 nan 0.000 0.431 202 A N 7.934 130.629 122.820 -0.209 0.000 2.893 202 A HA 0.283 4.602 4.320 -0.001 0.000 0.333 202 A C 0.276 177.621 177.584 -0.399 0.000 1.152 202 A CA -0.484 51.426 52.037 -0.212 0.000 0.782 202 A CB -0.327 18.666 19.000 -0.012 0.000 1.108 202 A HN 0.708 nan 8.150 nan 0.000 0.469 203 I N -2.614 117.534 120.570 -0.704 0.000 3.603 203 I HA 0.265 4.434 4.170 -0.001 0.000 0.297 203 I C 0.785 176.562 176.117 -0.567 0.000 1.269 203 I CA 0.873 61.713 61.300 -0.768 0.000 1.361 203 I CB 0.388 37.671 38.000 -1.195 0.000 1.063 203 I HN 0.334 nan 8.210 nan 0.000 0.448 204 D N 0.342 120.371 120.400 -0.618 0.000 2.498 204 D HA 0.251 4.890 4.640 -0.001 0.000 0.223 204 D C -2.185 173.673 176.300 -0.737 0.000 1.125 204 D CA -0.798 52.834 54.000 -0.614 0.000 0.835 204 D CB 0.117 40.472 40.800 -0.740 0.000 1.086 204 D HN 0.176 nan 8.370 nan 0.000 0.510 205 P HA 0.045 nan 4.420 nan 0.000 0.267 205 P C -0.539 176.318 177.300 -0.738 0.000 1.200 205 P CA 0.077 62.654 63.100 -0.871 0.000 0.772 205 P CB 0.204 31.555 31.700 -0.581 0.000 0.855 206 F N 2.113 121.829 119.950 -0.390 0.000 2.541 206 F HA 0.548 5.074 4.527 -0.001 0.000 0.351 206 F C 1.390 177.134 175.800 -0.094 0.000 1.209 206 F CA -0.639 57.087 58.000 -0.456 0.000 1.277 206 F CB -1.023 37.847 39.000 -0.216 0.000 1.632 206 F HN 0.499 nan 8.300 nan 0.000 0.619 207 G N 1.282 109.851 108.800 -0.386 0.000 2.619 207 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.686 207 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.686 207 G C -1.519 173.032 174.900 -0.583 0.000 1.256 207 G CA -1.163 43.799 45.100 -0.230 0.000 0.826 207 G HN 0.601 nan 8.290 nan 0.000 0.619 208 H N -0.591 118.189 119.070 -0.484 0.000 2.717 208 H HA 0.748 5.304 4.556 -0.001 0.000 0.366 208 H C -0.372 174.848 175.328 -0.181 0.000 1.132 208 H CA 0.038 55.989 56.048 -0.162 0.000 1.180 208 H CB 2.048 31.873 29.762 0.105 0.000 1.678 208 H HN 0.681 nan 8.280 nan 0.000 0.537 209 S N 2.269 118.108 115.700 0.231 0.000 2.501 209 S HA 0.265 4.735 4.470 -0.001 0.000 0.301 209 S C -1.778 172.839 174.600 0.029 0.000 1.096 209 S CA -1.797 56.544 58.200 0.236 0.000 1.063 209 S CB 1.323 64.704 63.200 0.302 0.000 1.042 209 S HN 0.446 nan 8.310 nan 0.000 0.494 210 P HA 0.017 nan 4.420 nan 0.000 0.234 210 P C 1.075 178.114 177.300 -0.435 0.000 1.167 210 P CA 0.752 63.454 63.100 -0.663 0.000 0.763 210 P CB -0.246 31.225 31.700 -0.381 0.000 0.835 211 T N -0.232 114.206 114.554 -0.194 0.000 2.881 211 T HA -0.083 4.266 4.350 -0.001 0.000 0.270 211 T C 1.822 176.475 174.700 -0.079 0.000 1.068 211 T CA 1.140 63.168 62.100 -0.120 0.000 1.131 211 T CB -0.387 68.450 68.868 -0.051 0.000 0.871 211 T HN -0.014 nan 8.240 nan 0.000 0.479 212 M N 0.983 120.497 119.600 -0.144 0.000 2.059 212 M HA -0.000 4.479 4.480 -0.001 0.000 0.259 212 M C -0.624 175.542 176.300 -0.225 0.000 1.072 212 M CA 1.242 56.456 55.300 -0.143 0.000 1.117 212 M CB -2.477 30.065 32.600 -0.098 0.000 1.320 212 M HN 0.126 nan 8.290 nan 0.000 0.408 213 P HA -0.195 nan 4.420 nan 0.000 0.218 213 P C 1.663 178.843 177.300 -0.200 0.000 1.149 213 P CA 1.389 64.301 63.100 -0.314 0.000 0.817 213 P CB -0.431 30.986 31.700 -0.471 0.000 0.785 214 Y N 1.136 121.254 120.300 -0.305 0.000 2.097 214 Y HA -0.209 4.340 4.550 -0.001 0.000 0.282 214 Y C 2.403 178.221 175.900 -0.136 0.000 1.152 214 Y CA 1.714 59.698 58.100 -0.194 0.000 1.136 214 Y CB -0.970 37.390 38.460 -0.167 0.000 0.975 214 Y HN -0.237 nan 8.280 nan 0.000 0.498 215 I N -0.440 120.148 120.570 0.031 0.000 2.252 215 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 215 I C 2.282 178.326 176.117 -0.122 0.000 1.102 215 I CA 1.150 62.431 61.300 -0.032 0.000 1.385 215 I CB -0.408 37.636 38.000 0.074 0.000 1.064 215 I HN 0.265 nan 8.210 nan 0.000 0.414 216 L N 0.112 121.216 121.223 -0.199 0.000 2.046 216 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 216 L C 2.691 179.542 176.870 -0.033 0.000 1.077 216 L CA 1.239 55.897 54.840 -0.303 0.000 0.747 216 L CB -0.728 40.960 42.059 -0.618 0.000 0.896 216 L HN 0.350 nan 8.230 nan 0.000 0.432 217 Q N 1.118 120.868 119.800 -0.083 0.000 2.226 217 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 217 Q C 1.686 177.647 176.000 -0.064 0.000 0.975 217 Q CA 1.483 57.260 55.803 -0.043 0.000 0.866 217 Q CB 0.115 28.799 28.738 -0.091 0.000 0.915 217 Q HN 0.468 nan 8.270 nan 0.000 0.440 218 K N -0.481 119.838 120.400 -0.134 0.000 2.444 218 K HA 0.108 4.428 4.320 -0.001 0.000 0.193 218 K C 0.686 177.249 176.600 -0.061 0.000 1.024 218 K CA 0.141 56.343 56.287 -0.141 0.000 1.077 218 K CB 0.509 32.849 32.500 -0.265 0.000 0.833 218 K HN -0.070 nan 8.250 nan 0.000 0.517 219 S N -0.247 115.472 115.700 0.031 0.000 2.754 219 S HA 0.199 4.669 4.470 -0.001 0.000 0.247 219 S C 0.766 175.465 174.600 0.165 0.000 1.031 219 S CA 0.105 58.371 58.200 0.110 0.000 1.014 219 S CB 1.294 64.603 63.200 0.181 0.000 0.918 219 S HN 0.521 nan 8.310 nan 0.000 0.519 220 G N 1.223 110.074 108.800 0.086 0.000 2.176 220 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.253 220 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.253 220 G C -0.017 174.860 174.900 -0.038 0.000 0.979 220 G CA -0.365 44.730 45.100 -0.008 0.000 0.641 220 G HN 0.438 nan 8.290 nan 0.000 0.530 221 F N 0.530 120.441 119.950 -0.066 0.000 2.450 221 F HA 0.541 5.067 4.527 -0.001 0.000 0.339 221 F C 1.722 177.465 175.800 -0.094 0.000 1.146 221 F CA 0.341 58.298 58.000 -0.071 0.000 1.267 221 F CB 0.957 39.919 39.000 -0.064 0.000 1.178 221 F HN -0.068 nan 8.300 nan 0.000 0.585 222 K N 0.524 120.946 120.400 0.037 0.000 2.464 222 K HA 0.228 4.548 4.320 -0.001 0.000 0.206 222 K C -0.522 176.024 176.600 -0.090 0.000 1.186 222 K CA 0.004 56.255 56.287 -0.061 0.000 0.990 222 K CB 0.477 32.891 32.500 -0.144 0.000 1.003 222 K HN 0.592 nan 8.250 nan 0.000 0.562 223 N N 0.641 119.271 118.700 -0.116 0.000 2.484 223 N HA 0.415 5.154 4.740 -0.001 0.000 0.269 223 N C -1.411 173.954 175.510 -0.243 0.000 1.237 223 N CA -0.750 52.074 53.050 -0.378 0.000 0.838 223 N CB 2.041 39.742 38.487 -1.309 0.000 1.593 223 N HN -0.048 nan 8.380 nan 0.000 0.485 224 M N -0.241 119.227 119.600 -0.220 0.000 2.569 224 M HA 0.626 5.106 4.480 -0.001 0.000 0.279 224 M C -2.074 174.292 176.300 0.110 0.000 1.253 224 M CA -0.949 54.347 55.300 -0.007 0.000 0.867 224 M CB 2.448 35.035 32.600 -0.022 0.000 1.727 224 M HN 0.502 nan 8.290 nan 0.000 0.467 225 L N 3.573 124.883 121.223 0.145 0.000 2.386 225 L HA 0.880 5.219 4.340 -0.001 0.000 0.271 225 L C -1.471 175.289 176.870 -0.183 0.000 0.993 225 L CA -0.752 54.133 54.840 0.075 0.000 0.819 225 L CB 2.015 44.172 42.059 0.164 0.000 1.294 225 L HN 0.943 nan 8.230 nan 0.000 0.414 226 I N 0.958 121.330 120.570 -0.330 0.000 3.042 226 I HA 0.613 4.783 4.170 -0.001 0.000 0.310 226 I C -0.717 175.110 176.117 -0.483 0.000 1.117 226 I CA -0.565 60.355 61.300 -0.635 0.000 1.003 226 I CB 2.253 39.584 38.000 -1.115 0.000 1.228 226 I HN 0.734 nan 8.210 nan 0.000 0.443 227 Q N 2.224 121.803 119.800 -0.367 0.000 2.563 227 Q HA 0.337 4.676 4.340 -0.001 0.000 0.236 227 Q C 0.010 175.904 176.000 -0.176 0.000 0.792 227 Q CA 0.461 56.118 55.803 -0.243 0.000 0.960 227 Q CB 0.610 29.196 28.738 -0.253 0.000 1.304 227 Q HN 0.665 nan 8.270 nan 0.000 0.566 228 R N 2.000 122.402 120.500 -0.163 0.000 2.419 228 R HA 0.347 4.687 4.340 -0.001 0.000 0.305 228 R C -0.679 175.362 176.300 -0.431 0.000 1.242 228 R CA 0.548 56.316 56.100 -0.553 0.000 1.105 228 R CB 0.264 29.872 30.300 -1.153 0.000 1.116 228 R HN 0.381 nan 8.270 nan 0.000 0.523 229 T N -2.304 112.219 114.554 -0.052 0.000 2.907 229 T HA 0.138 4.487 4.350 -0.001 0.000 0.292 229 T C -0.004 174.949 174.700 0.423 0.000 1.043 229 T CA -0.898 61.299 62.100 0.163 0.000 1.003 229 T CB 1.741 70.549 68.868 -0.101 0.000 1.084 229 T HN 0.434 nan 8.240 nan 0.000 0.483 230 H N 1.959 121.244 119.070 0.359 0.000 3.115 230 H HA -0.049 4.506 4.556 -0.001 0.000 0.324 230 H C 1.056 176.442 175.328 0.097 0.000 1.007 230 H CA 0.579 56.735 56.048 0.180 0.000 1.385 230 H CB 0.351 30.240 29.762 0.212 0.000 1.351 230 H HN 0.932 nan 8.280 nan 0.000 0.592 231 Y N 2.261 122.663 120.300 0.169 0.000 2.315 231 Y HA -0.165 4.385 4.550 -0.001 0.000 0.288 231 Y C 2.176 178.248 175.900 0.286 0.000 1.154 231 Y CA 0.960 59.191 58.100 0.218 0.000 1.229 231 Y CB -0.614 37.911 38.460 0.107 0.000 0.980 231 Y HN 0.288 nan 8.280 nan 0.000 0.540 232 S N 0.283 116.035 115.700 0.087 0.000 2.406 232 S HA -0.107 4.363 4.470 -0.001 0.000 0.228 232 S C 2.077 176.601 174.600 -0.126 0.000 1.020 232 S CA 1.116 59.253 58.200 -0.104 0.000 0.965 232 S CB -0.518 62.398 63.200 -0.474 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 1.999 121.896 119.914 -0.028 0.000 2.307 233 V HA -0.163 3.956 4.120 -0.001 0.000 0.245 233 V C 2.230 178.360 176.094 0.060 0.000 1.045 233 V CA 1.577 63.889 62.300 0.020 0.000 1.024 233 V CB -0.507 31.432 31.823 0.192 0.000 0.651 233 V HN 0.406 nan 8.190 nan 0.000 0.449 234 K N 0.159 120.636 120.400 0.128 0.000 2.032 234 K HA -0.263 4.056 4.320 -0.001 0.000 0.209 234 K C 2.269 178.999 176.600 0.217 0.000 1.048 234 K CA 1.901 58.280 56.287 0.153 0.000 0.927 234 K CB -0.253 32.395 32.500 0.246 0.000 0.712 234 K HN 0.351 nan 8.250 nan 0.000 0.441 235 K N 1.148 121.678 120.400 0.216 0.000 2.057 235 K HA -0.236 4.084 4.320 -0.001 0.000 0.207 235 K C 2.136 178.832 176.600 0.160 0.000 1.049 235 K CA 1.750 58.174 56.287 0.228 0.000 0.931 235 K CB 0.044 32.608 32.500 0.107 0.000 0.714 235 K HN -0.011 nan 8.250 nan 0.000 0.440 236 E N 0.839 121.054 120.200 0.025 0.000 2.051 236 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 236 E C 1.932 178.525 176.600 -0.011 0.000 0.991 236 E CA 1.410 57.782 56.400 -0.045 0.000 0.799 236 E CB -0.178 29.445 29.700 -0.129 0.000 0.748 236 E HN 0.344 nan 8.360 nan 0.000 0.449 237 L N -0.166 121.060 121.223 0.005 0.000 2.093 237 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 237 L C 2.518 179.408 176.870 0.033 0.000 1.085 237 L CA 0.924 55.760 54.840 -0.006 0.000 0.755 237 L CB -0.583 41.456 42.059 -0.033 0.000 0.904 237 L HN 0.211 nan 8.230 nan 0.000 0.435 238 A N -0.223 122.668 122.820 0.119 0.000 1.902 238 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 238 A C 2.219 179.988 177.584 0.308 0.000 1.181 238 A CA 1.519 53.681 52.037 0.209 0.000 0.623 238 A CB -0.470 18.799 19.000 0.448 0.000 0.818 238 A HN 0.466 nan 8.150 nan 0.000 0.443 239 Q N -0.961 118.979 119.800 0.234 0.000 2.226 239 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 239 Q C 1.325 177.320 176.000 -0.008 0.000 0.975 239 Q CA 1.251 57.042 55.803 -0.020 0.000 0.866 239 Q CB -0.034 28.546 28.738 -0.264 0.000 0.915 239 Q HN 0.600 nan 8.270 nan 0.000 0.440 240 Q N -0.177 119.627 119.800 0.007 0.000 2.247 240 Q HA 0.138 4.478 4.340 -0.001 0.000 0.204 240 Q C -0.412 175.604 176.000 0.026 0.000 0.872 240 Q CA -0.016 55.787 55.803 0.000 0.000 0.951 240 Q CB 0.635 29.362 28.738 -0.018 0.000 1.099 240 Q HN 0.277 nan 8.270 nan 0.000 0.501 241 R N 0.787 121.308 120.500 0.035 0.000 3.333 241 R HA -0.211 4.128 4.340 -0.001 0.000 0.256 241 R C -0.122 176.207 176.300 0.047 0.000 1.010 241 R CA 0.468 56.579 56.100 0.018 0.000 0.680 241 R CB -1.914 28.423 30.300 0.062 0.000 1.102 241 R HN 0.384 nan 8.270 nan 0.000 0.440 242 Q N 0.037 119.852 119.800 0.026 0.000 2.165 242 Q HA 0.199 4.539 4.340 -0.001 0.000 0.245 242 Q C 1.212 177.283 176.000 0.118 0.000 0.841 242 Q CA -0.236 55.616 55.803 0.083 0.000 1.078 242 Q CB 0.553 29.303 28.738 0.021 0.000 1.169 242 Q HN 0.439 nan 8.270 nan 0.000 0.475 243 L N 0.081 121.305 121.223 0.002 0.000 2.395 243 L HA 0.041 4.380 4.340 -0.001 0.000 0.218 243 L C 0.330 177.180 176.870 -0.033 0.000 1.130 243 L CA 0.951 55.761 54.840 -0.050 0.000 0.826 243 L CB 0.309 42.148 42.059 -0.366 0.000 0.941 243 L HN 0.189 nan 8.230 nan 0.000 0.451 244 E N 0.159 120.382 120.200 0.039 0.000 2.171 244 E HA 0.519 4.869 4.350 -0.001 0.000 0.271 244 E C -1.207 175.310 176.600 -0.138 0.000 0.916 244 E CA -0.530 55.702 56.400 -0.280 0.000 0.774 244 E CB 1.513 31.170 29.700 -0.072 0.000 1.128 244 E HN 0.002 nan 8.360 nan 0.000 0.403 245 F N -0.274 119.414 119.950 -0.436 0.000 2.686 245 F HA 0.470 4.996 4.527 -0.001 0.000 0.311 245 F C -1.585 174.102 175.800 -0.189 0.000 1.128 245 F CA -1.383 56.508 58.000 -0.181 0.000 0.946 245 F CB 0.779 39.704 39.000 -0.125 0.000 1.336 245 F HN 0.159 nan 8.300 nan 0.000 0.457 246 L N 2.601 123.979 121.223 0.258 0.000 2.282 246 L HA 0.187 4.527 4.340 -0.001 0.000 0.287 246 L C -1.132 175.965 176.870 0.378 0.000 1.075 246 L CA -0.248 54.741 54.840 0.248 0.000 0.839 246 L CB 0.541 42.750 42.059 0.251 0.000 1.219 246 L HN 0.592 nan 8.230 nan 0.000 0.434 247 W N 6.806 128.213 121.300 0.178 0.000 2.387 247 W HA 0.344 5.004 4.660 -0.001 0.000 0.310 247 W C 0.214 176.761 176.519 0.046 0.000 1.181 247 W CA -1.297 56.169 57.345 0.202 0.000 1.333 247 W CB 0.465 30.087 29.460 0.271 0.000 1.286 247 W HN 0.504 nan 8.180 nan 0.000 0.455 248 R N 3.815 124.493 120.500 0.296 0.000 2.758 248 R HA 0.542 4.881 4.340 -0.001 0.000 0.265 248 R C -0.066 176.144 176.300 -0.149 0.000 1.016 248 R CA -0.907 55.196 56.100 0.005 0.000 1.040 248 R CB 1.119 31.404 30.300 -0.025 0.000 1.152 248 R HN 0.247 nan 8.270 nan 0.000 0.503 249 Q N 1.321 120.878 119.800 -0.405 0.000 2.454 249 Q HA 0.059 4.399 4.340 -0.001 0.000 0.247 249 Q C 1.455 177.053 176.000 -0.671 0.000 1.028 249 Q CA 0.101 55.461 55.803 -0.739 0.000 0.910 249 Q CB 0.789 28.620 28.738 -1.512 0.000 1.276 249 Q HN 0.849 nan 8.270 nan 0.000 0.489 250 I N -2.241 118.028 120.570 -0.503 0.000 2.567 250 I HA -0.132 4.037 4.170 -0.001 0.000 0.257 250 I C 1.264 177.305 176.117 -0.125 0.000 1.184 250 I CA 1.172 62.345 61.300 -0.211 0.000 1.451 250 I CB -0.345 37.635 38.000 -0.033 0.000 1.089 250 I HN 0.664 nan 8.210 nan 0.000 0.441 251 W N 1.244 122.606 121.300 0.104 0.000 3.220 251 W HA 0.376 5.036 4.660 -0.001 0.000 0.328 251 W C 0.179 176.777 176.519 0.132 0.000 1.205 251 W CA -0.758 56.710 57.345 0.204 0.000 1.773 251 W CB -0.685 28.982 29.460 0.345 0.000 1.086 251 W HN -0.074 nan 8.180 nan 0.000 0.622 252 D N 1.930 122.062 120.400 -0.446 0.000 2.422 252 D HA -0.025 4.615 4.640 -0.001 0.000 0.227 252 D C 1.039 177.314 176.300 -0.041 0.000 1.190 252 D CA 0.175 54.062 54.000 -0.189 0.000 0.905 252 D CB 0.296 40.889 40.800 -0.345 0.000 1.034 252 D HN 0.094 nan 8.370 nan 0.000 0.507 253 N N 3.725 122.463 118.700 0.063 0.000 2.216 253 N HA -0.144 4.595 4.740 -0.001 0.000 0.183 253 N C 1.429 176.959 175.510 0.035 0.000 1.017 253 N CA 1.156 54.235 53.050 0.049 0.000 0.861 253 N CB 0.143 38.681 38.487 0.084 0.000 0.986 253 N HN 0.348 nan 8.380 nan 0.000 0.428 254 K N -1.312 119.114 120.400 0.044 0.000 2.186 254 K HA 0.090 4.410 4.320 -0.001 0.000 0.202 254 K C 0.560 177.176 176.600 0.027 0.000 1.052 254 K CA 0.930 57.239 56.287 0.037 0.000 0.965 254 K CB 0.085 32.613 32.500 0.045 0.000 0.746 254 K HN 0.254 nan 8.250 nan 0.000 0.457 255 G N 1.098 109.907 108.800 0.015 0.000 2.148 255 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.203 255 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.203 255 G C 0.111 175.018 174.900 0.013 0.000 0.993 255 G CA 0.333 45.440 45.100 0.011 0.000 0.661 255 G HN 0.375 nan 8.290 nan 0.000 0.518 256 D N 0.612 121.021 120.400 0.015 0.000 2.350 256 D HA -0.026 4.613 4.640 -0.001 0.000 0.216 256 D C 2.545 178.841 176.300 -0.007 0.000 0.968 256 D CA 1.692 55.699 54.000 0.011 0.000 0.894 256 D CB -0.186 40.626 40.800 0.021 0.000 0.909 256 D HN 0.674 nan 8.370 nan 0.000 0.520 257 T N -2.042 112.500 114.554 -0.021 0.000 3.100 257 T HA 0.303 4.652 4.350 -0.001 0.000 0.253 257 T C 1.001 175.671 174.700 -0.049 0.000 1.118 257 T CA -0.093 61.976 62.100 -0.051 0.000 1.058 257 T CB 0.028 68.853 68.868 -0.071 0.000 0.953 257 T HN 0.062 nan 8.240 nan 0.000 0.515 258 A N 1.429 124.244 122.820 -0.009 0.000 2.540 258 A HA 0.535 4.855 4.320 -0.001 0.000 0.239 258 A C -0.258 177.353 177.584 0.045 0.000 1.061 258 A CA -0.285 51.776 52.037 0.040 0.000 0.758 258 A CB -0.157 18.891 19.000 0.080 0.000 0.991 258 A HN 0.556 nan 8.150 nan 0.000 0.502 259 L N 2.759 124.029 121.223 0.079 0.000 2.409 259 L HA 0.570 4.909 4.340 -0.001 0.000 0.272 259 L C -0.644 176.291 176.870 0.108 0.000 0.980 259 L CA -0.564 54.317 54.840 0.069 0.000 0.826 259 L CB 1.482 43.545 42.059 0.007 0.000 1.268 259 L HN 0.664 nan 8.230 nan 0.000 0.407 260 F N 3.827 123.746 119.950 -0.052 0.000 2.578 260 F HA 0.413 4.939 4.527 -0.001 0.000 0.381 260 F C 0.002 175.693 175.800 -0.182 0.000 1.069 260 F CA 0.757 58.693 58.000 -0.106 0.000 1.231 260 F CB 0.475 39.432 39.000 -0.072 0.000 1.086 260 F HN 0.565 nan 8.300 nan 0.000 0.564 261 T N 5.339 119.324 114.554 -0.947 0.000 2.861 261 T HA 0.207 4.556 4.350 -0.001 0.000 0.287 261 T C -1.632 172.446 174.700 -1.036 0.000 1.003 261 T CA -0.484 61.135 62.100 -0.802 0.000 0.977 261 T CB 0.930 69.319 68.868 -0.799 0.000 0.996 261 T HN 0.625 nan 8.240 nan 0.000 0.448 262 H N 2.790 121.558 119.070 -0.502 0.000 2.551 262 H HA 0.624 5.180 4.556 -0.001 0.000 0.321 262 H C -0.398 174.746 175.328 -0.307 0.000 1.028 262 H CA -0.762 55.105 56.048 -0.301 0.000 1.215 262 H CB 0.750 30.559 29.762 0.079 0.000 1.414 262 H HN 0.487 nan 8.280 nan 0.000 0.480 263 M N 7.001 126.288 119.600 -0.521 0.000 2.157 263 M HA 0.290 4.770 4.480 -0.001 0.000 0.354 263 M C -0.838 175.234 176.300 -0.380 0.000 1.170 263 M CA -0.604 54.461 55.300 -0.392 0.000 1.060 263 M CB 0.679 33.094 32.600 -0.308 0.000 1.615 263 M HN 0.666 nan 8.290 nan 0.000 0.460 264 M N 6.521 125.987 119.600 -0.223 0.000 2.245 264 M HA 0.173 4.652 4.480 -0.001 0.000 0.330 264 M C -1.622 174.544 176.300 -0.224 0.000 1.098 264 M CA -1.096 54.111 55.300 -0.156 0.000 1.172 264 M CB 0.152 32.675 32.600 -0.128 0.000 1.467 264 M HN 0.488 nan 8.290 nan 0.000 0.454 265 P HA 0.134 nan 4.420 nan 0.000 0.245 265 P C -0.276 176.829 177.300 -0.326 0.000 1.199 265 P CA 0.876 63.657 63.100 -0.532 0.000 0.807 265 P CB 0.354 31.423 31.700 -1.051 0.000 1.002 266 F N -2.286 117.667 119.950 0.004 0.000 2.611 266 F HA 0.310 4.837 4.527 -0.001 0.000 0.374 266 F C 2.095 177.979 175.800 0.140 0.000 1.110 266 F CA -1.288 56.753 58.000 0.068 0.000 1.090 266 F CB 0.233 39.210 39.000 -0.038 0.000 1.388 266 F HN -0.321 nan 8.300 nan 0.000 0.501 267 Y N 0.389 120.829 120.300 0.235 0.000 2.439 267 Y HA 0.084 4.634 4.550 -0.001 0.000 0.292 267 Y C 0.772 176.583 175.900 -0.149 0.000 1.130 267 Y CA 1.056 59.153 58.100 -0.007 0.000 1.254 267 Y CB 0.074 38.427 38.460 -0.178 0.000 1.000 267 Y HN 0.341 nan 8.280 nan 0.000 0.554 268 S N -1.802 113.757 115.700 -0.236 0.000 2.638 268 S HA 0.238 4.707 4.470 -0.001 0.000 0.274 268 S C -0.336 174.185 174.600 -0.131 0.000 1.157 268 S CA -0.362 57.597 58.200 -0.401 0.000 0.826 268 S CB 0.212 63.112 63.200 -0.499 0.000 1.139 268 S HN 0.282 nan 8.310 nan 0.000 0.474 269 Y N 0.879 121.135 120.300 -0.073 0.000 2.490 269 Y HA 0.299 4.848 4.550 -0.001 0.000 0.281 269 Y C 0.489 176.469 175.900 0.134 0.000 1.174 269 Y CA -0.434 57.648 58.100 -0.030 0.000 1.295 269 Y CB -0.992 37.358 38.460 -0.184 0.000 1.062 269 Y HN 0.556 nan 8.280 nan 0.000 0.522 270 D N 0.779 121.182 120.400 0.005 0.000 2.363 270 D HA -0.043 4.596 4.640 -0.001 0.000 0.240 270 D C 1.235 177.659 176.300 0.206 0.000 1.236 270 D CA -0.350 53.743 54.000 0.156 0.000 0.927 270 D CB 0.825 41.676 40.800 0.085 0.000 1.150 270 D HN 0.264 nan 8.370 nan 0.000 0.458 271 I N -0.097 120.572 120.570 0.166 0.000 2.226 271 I HA -0.157 4.012 4.170 -0.001 0.000 0.245 271 I C -0.745 175.407 176.117 0.058 0.000 1.100 271 I CA 0.863 62.247 61.300 0.139 0.000 1.374 271 I CB -1.133 36.938 38.000 0.118 0.000 1.057 271 I HN 0.351 nan 8.210 nan 0.000 0.413 272 P HA -0.151 nan 4.420 nan 0.000 0.221 272 P C 0.549 177.534 177.300 -0.525 0.000 1.145 272 P CA 1.583 64.496 63.100 -0.311 0.000 0.795 272 P CB -0.081 31.427 31.700 -0.319 0.000 0.775 273 H N -3.022 116.037 119.070 -0.018 0.000 2.486 273 H HA 0.225 4.781 4.556 -0.001 0.000 0.284 273 H C 0.868 176.285 175.328 0.148 0.000 1.103 273 H CA 0.522 56.571 56.048 0.001 0.000 1.089 273 H CB -0.215 29.614 29.762 0.112 0.000 1.603 273 H HN 0.093 nan 8.280 nan 0.000 0.557 274 T N -4.273 110.392 114.554 0.184 0.000 2.986 274 T HA -0.020 4.329 4.350 -0.001 0.000 0.264 274 T C 1.757 176.578 174.700 0.202 0.000 0.964 274 T CA 0.360 62.599 62.100 0.232 0.000 0.895 274 T CB -0.685 68.310 68.868 0.212 0.000 1.163 274 T HN 0.503 nan 8.240 nan 0.000 0.517 275 c N 1.512 120.200 118.600 0.147 0.000 2.563 275 c HA 0.721 5.291 4.570 -0.001 0.000 0.268 275 c C 1.315 175.524 174.090 0.200 0.000 1.365 275 c CA 0.398 56.856 56.329 0.215 0.000 1.754 275 c CB -1.126 41.475 42.510 0.151 0.000 1.932 275 c HN 0.880 nan 8.230 nan 0.000 0.536 276 G N -0.203 108.630 108.800 0.056 0.000 2.315 276 G HA2 0.372 4.331 3.960 -0.001 0.000 0.294 276 G HA3 0.372 4.331 3.960 -0.001 0.000 0.294 276 G C -2.713 171.766 174.900 -0.702 0.000 1.300 276 G CA 0.236 45.293 45.100 -0.072 0.000 0.843 276 G HN -0.107 nan 8.290 nan 0.000 0.527 277 P HA 0.097 nan 4.420 nan 0.000 0.229 277 P C -0.146 176.739 177.300 -0.692 0.000 1.160 277 P CA 1.042 63.466 63.100 -1.126 0.000 0.777 277 P CB 0.392 31.749 31.700 -0.572 0.000 0.814 278 D N 0.889 120.995 120.400 -0.491 0.000 2.427 278 D HA 0.144 4.783 4.640 -0.001 0.000 0.226 278 D C -1.495 174.464 176.300 -0.568 0.000 1.076 278 D CA -2.638 51.116 54.000 -0.411 0.000 0.849 278 D CB 1.448 42.093 40.800 -0.259 0.000 1.052 278 D HN -0.018 nan 8.370 nan 0.000 0.515 279 P HA -0.147 nan 4.420 nan 0.000 0.222 279 P C 1.200 177.702 177.300 -1.330 0.000 1.147 279 P CA 0.718 63.066 63.100 -1.253 0.000 0.790 279 P CB 0.497 31.147 31.700 -1.750 0.000 0.780 280 K N 0.300 120.066 120.400 -1.057 0.000 2.148 280 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 280 K C 1.786 178.210 176.600 -0.293 0.000 1.050 280 K CA 1.014 56.972 56.287 -0.548 0.000 0.942 280 K CB -0.211 32.156 32.500 -0.223 0.000 0.724 280 K HN -0.065 nan 8.250 nan 0.000 0.446 281 V N 0.495 120.242 119.914 -0.279 0.000 2.331 281 V HA -0.233 3.886 4.120 -0.001 0.000 0.242 281 V C 2.416 178.487 176.094 -0.038 0.000 1.034 281 V CA 1.385 63.615 62.300 -0.117 0.000 1.027 281 V CB -0.328 31.441 31.823 -0.090 0.000 0.667 281 V HN 0.474 nan 8.190 nan 0.000 0.457 282 c N -0.700 117.800 118.600 -0.166 0.000 2.422 282 c HA -0.197 4.372 4.570 -0.001 0.000 0.279 282 c C 2.981 177.040 174.090 -0.052 0.000 1.305 282 c CA 0.778 57.071 56.329 -0.060 0.000 1.757 282 c CB -1.507 40.884 42.510 -0.198 0.000 1.962 282 c HN 0.762 nan 8.230 nan 0.000 0.499 283 c N 0.867 119.348 118.600 -0.198 0.000 2.410 283 c HA -0.150 4.420 4.570 -0.001 0.000 0.281 283 c C 2.589 176.571 174.090 -0.180 0.000 1.318 283 c CA 1.245 57.507 56.329 -0.112 0.000 1.776 283 c CB -1.466 41.059 42.510 0.025 0.000 1.942 283 c HN 0.642 nan 8.230 nan 0.000 0.508 284 Q N -1.394 118.245 119.800 -0.269 0.000 2.515 284 Q HA -0.000 4.339 4.340 -0.001 0.000 0.212 284 Q C 0.688 176.021 176.000 -1.112 0.000 0.970 284 Q CA 0.942 56.394 55.803 -0.586 0.000 0.941 284 Q CB -0.014 28.354 28.738 -0.618 0.000 0.998 284 Q HN 0.739 nan 8.270 nan 0.000 0.518 285 F N -0.187 119.477 119.950 -0.476 0.000 2.668 285 F HA 0.161 4.687 4.527 -0.001 0.000 0.301 285 F C 0.272 175.796 175.800 -0.459 0.000 1.106 285 F CA -0.544 57.088 58.000 -0.614 0.000 1.289 285 F CB 0.751 39.631 39.000 -0.201 0.000 1.006 285 F HN -0.137 nan 8.300 nan 0.000 0.535 286 D N 0.084 120.263 120.400 -0.369 0.000 2.467 286 D HA 0.127 4.766 4.640 -0.001 0.000 0.220 286 D C 0.537 176.651 176.300 -0.309 0.000 1.103 286 D CA -0.340 53.560 54.000 -0.168 0.000 0.886 286 D CB 0.107 40.860 40.800 -0.078 0.000 1.025 286 D HN 0.101 nan 8.370 nan 0.000 0.514 287 F N 1.778 121.735 119.950 0.012 0.000 2.771 287 F HA 0.073 4.599 4.527 -0.001 0.000 0.299 287 F C 2.338 178.088 175.800 -0.082 0.000 1.177 287 F CA 0.320 58.301 58.000 -0.031 0.000 1.450 287 F CB 0.094 39.098 39.000 0.008 0.000 1.114 287 F HN 0.256 nan 8.300 nan 0.000 0.587 288 K N 0.714 121.051 120.400 -0.106 0.000 2.487 288 K HA 0.047 4.367 4.320 -0.001 0.000 0.192 288 K C 1.052 177.613 176.600 -0.065 0.000 1.027 288 K CA 0.256 56.350 56.287 -0.322 0.000 1.054 288 K CB 0.118 32.287 32.500 -0.551 0.000 0.824 288 K HN 0.198 nan 8.250 nan 0.000 0.510 289 R N 0.069 120.554 120.500 -0.025 0.000 2.586 289 R HA 0.203 4.542 4.340 -0.001 0.000 0.306 289 R C 0.908 177.231 176.300 0.038 0.000 1.079 289 R CA -0.175 55.933 56.100 0.013 0.000 1.083 289 R CB 0.236 30.521 30.300 -0.026 0.000 1.306 289 R HN 0.186 nan 8.270 nan 0.000 0.567 290 M N -1.075 118.584 119.600 0.098 0.000 2.541 290 M HA 0.150 4.630 4.480 -0.001 0.000 0.252 290 M C 1.190 177.530 176.300 0.066 0.000 1.125 290 M CA 0.896 56.240 55.300 0.073 0.000 1.091 290 M CB 0.820 33.477 32.600 0.095 0.000 1.420 290 M HN 0.511 nan 8.290 nan 0.000 0.486 291 G N -0.134 108.723 108.800 0.094 0.000 3.465 291 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.196 291 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.196 291 G C 0.989 175.898 174.900 0.015 0.000 1.170 291 G CA 0.238 45.365 45.100 0.046 0.000 0.887 291 G HN 0.400 nan 8.290 nan 0.000 0.444 292 S N 0.273 115.945 115.700 -0.046 0.000 2.469 292 S HA 0.174 4.644 4.470 -0.001 0.000 0.238 292 S C 1.756 176.177 174.600 -0.297 0.000 0.998 292 S CA 1.570 59.647 58.200 -0.205 0.000 0.957 292 S CB -0.450 62.551 63.200 -0.332 0.000 0.764 292 S HN 0.397 nan 8.310 nan 0.000 0.514 293 F N 1.667 121.613 119.950 -0.006 0.000 2.727 293 F HA 0.419 4.946 4.527 -0.001 0.000 0.302 293 F C 1.887 177.683 175.800 -0.007 0.000 1.097 293 F CA 0.069 58.064 58.000 -0.009 0.000 1.330 293 F CB 0.035 39.026 39.000 -0.014 0.000 1.084 293 F HN 0.371 nan 8.300 nan 0.000 0.578 294 G N 1.201 110.073 108.800 0.120 0.000 2.143 294 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.248 294 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.248 294 G C -0.137 174.812 174.900 0.080 0.000 0.991 294 G CA 0.025 45.172 45.100 0.077 0.000 0.689 294 G HN 0.298 nan 8.290 nan 0.000 0.522 295 L N 0.159 121.442 121.223 0.100 0.000 2.341 295 L HA 0.865 5.204 4.340 -0.001 0.000 0.267 295 L C 0.477 177.377 176.870 0.049 0.000 1.009 295 L CA -0.383 54.498 54.840 0.068 0.000 0.819 295 L CB 2.366 44.463 42.059 0.063 0.000 1.323 295 L HN 0.462 nan 8.230 nan 0.000 0.425 296 S N -0.687 115.030 115.700 0.028 0.000 2.705 296 S HA 0.538 5.007 4.470 -0.001 0.000 0.280 296 S C -1.256 173.353 174.600 0.016 0.000 1.174 296 S CA -0.808 57.401 58.200 0.014 0.000 0.823 296 S CB 1.611 64.810 63.200 -0.001 0.000 1.162 296 S HN 0.523 nan 8.310 nan 0.000 0.487 297 c N 2.946 121.560 118.600 0.023 0.000 2.285 297 c HA 0.572 5.142 4.570 -0.001 0.000 0.335 297 c C -1.126 172.947 174.090 -0.030 0.000 1.267 297 c CA -1.159 55.221 56.329 0.086 0.000 1.762 297 c CB 0.862 43.458 42.510 0.143 0.000 2.365 297 c HN 0.760 nan 8.230 nan 0.000 0.527 298 P HA -0.057 nan 4.420 nan 0.000 0.233 298 P C 1.110 178.105 177.300 -0.507 0.000 1.167 298 P CA 1.123 63.940 63.100 -0.472 0.000 0.770 298 P CB 0.080 31.356 31.700 -0.706 0.000 0.837 299 W N 0.716 121.992 121.300 -0.040 0.000 3.180 299 W HA 0.160 4.820 4.660 -0.001 0.000 0.254 299 W C 0.637 177.128 176.519 -0.046 0.000 1.318 299 W CA 0.183 57.500 57.345 -0.047 0.000 1.608 299 W CB -0.451 28.971 29.460 -0.062 0.000 1.124 299 W HN 0.139 nan 8.180 nan 0.000 0.694 300 K N -1.026 119.417 120.400 0.072 0.000 3.467 300 K HA -0.174 4.146 4.320 -0.001 0.000 0.309 300 K C -0.429 176.191 176.600 0.033 0.000 1.350 300 K CA 0.461 56.765 56.287 0.028 0.000 0.934 300 K CB -1.999 30.505 32.500 0.007 0.000 1.312 300 K HN -0.117 nan 8.250 nan 0.000 0.461 301 V N 1.722 121.668 119.914 0.052 0.000 2.407 301 V HA 0.360 4.479 4.120 -0.001 0.000 0.291 301 V C -1.837 174.242 176.094 -0.026 0.000 1.018 301 V CA -1.504 60.798 62.300 0.004 0.000 0.842 301 V CB 1.536 33.354 31.823 -0.007 0.000 0.996 301 V HN -0.027 nan 8.190 nan 0.000 0.426 302 P HA 0.485 nan 4.420 nan 0.000 0.281 302 P C -2.901 174.303 177.300 -0.160 0.000 1.264 302 P CA -2.244 60.809 63.100 -0.079 0.000 0.824 302 P CB 0.799 32.469 31.700 -0.050 0.000 1.092 303 P HA 0.311 nan 4.420 nan 0.000 0.274 303 P C -0.375 176.818 177.300 -0.178 0.000 1.231 303 P CA -0.003 62.880 63.100 -0.362 0.000 0.790 303 P CB 0.658 32.071 31.700 -0.478 0.000 0.951 304 R N 0.147 120.555 120.500 -0.154 0.000 2.686 304 R HA 0.434 4.773 4.340 -0.001 0.000 0.286 304 R C -0.272 176.088 176.300 0.099 0.000 0.969 304 R CA -0.671 55.414 56.100 -0.026 0.000 0.898 304 R CB 1.305 31.570 30.300 -0.059 0.000 1.183 304 R HN 0.353 nan 8.270 nan 0.000 0.456 305 T N 3.728 118.336 114.554 0.091 0.000 2.934 305 T HA 0.038 4.387 4.350 -0.001 0.000 0.306 305 T C 0.729 175.426 174.700 -0.005 0.000 1.042 305 T CA 0.140 62.272 62.100 0.054 0.000 1.145 305 T CB 0.169 69.047 68.868 0.016 0.000 0.982 305 T HN 0.189 nan 8.240 nan 0.000 0.544 306 I N 3.795 124.314 120.570 -0.086 0.000 2.496 306 I HA 0.265 4.434 4.170 -0.001 0.000 0.285 306 I C 0.983 177.054 176.117 -0.077 0.000 1.080 306 I CA 0.051 61.298 61.300 -0.089 0.000 1.404 306 I CB 0.405 38.307 38.000 -0.162 0.000 1.403 306 I HN 0.781 nan 8.210 nan 0.000 0.539 307 S N 3.769 119.435 115.700 -0.057 0.000 2.697 307 S HA 0.440 4.910 4.470 -0.001 0.000 0.289 307 S C 0.290 174.862 174.600 -0.048 0.000 1.149 307 S CA -0.753 57.421 58.200 -0.044 0.000 0.850 307 S CB 2.125 65.306 63.200 -0.032 0.000 1.151 307 S HN 0.500 nan 8.310 nan 0.000 0.491 308 D N 0.596 120.978 120.400 -0.031 0.000 2.263 308 D HA -0.026 4.613 4.640 -0.001 0.000 0.208 308 D C 1.482 177.759 176.300 -0.037 0.000 0.971 308 D CA 1.269 55.252 54.000 -0.028 0.000 0.867 308 D CB -0.185 40.613 40.800 -0.005 0.000 0.929 308 D HN 0.526 nan 8.370 nan 0.000 0.492 309 Q N 0.111 119.891 119.800 -0.032 0.000 2.331 309 Q HA -0.006 4.334 4.340 -0.001 0.000 0.203 309 Q C 1.217 177.193 176.000 -0.039 0.000 0.944 309 Q CA 0.732 56.518 55.803 -0.029 0.000 0.892 309 Q CB -0.002 28.725 28.738 -0.019 0.000 0.983 309 Q HN 0.337 nan 8.270 nan 0.000 0.482 310 N N -1.594 117.076 118.700 -0.050 0.000 2.171 310 N HA -0.010 4.729 4.740 -0.001 0.000 0.212 310 N C 1.017 176.480 175.510 -0.079 0.000 1.184 310 N CA 0.093 53.112 53.050 -0.050 0.000 0.888 310 N CB -0.163 38.302 38.487 -0.037 0.000 1.038 310 N HN 0.047 nan 8.380 nan 0.000 0.517 311 V N 0.357 120.190 119.914 -0.135 0.000 2.515 311 V HA -0.017 4.103 4.120 -0.001 0.000 0.250 311 V C 2.192 178.081 176.094 -0.342 0.000 1.058 311 V CA 1.938 64.108 62.300 -0.217 0.000 1.064 311 V CB -0.790 30.879 31.823 -0.256 0.000 0.675 311 V HN 0.433 nan 8.190 nan 0.000 0.461 312 A N -0.185 122.416 122.820 -0.365 0.000 1.898 312 A HA 0.009 4.329 4.320 -0.001 0.000 0.216 312 A C 2.413 180.024 177.584 0.044 0.000 1.181 312 A CA 1.957 53.879 52.037 -0.191 0.000 0.620 312 A CB -0.934 18.061 19.000 -0.010 0.000 0.819 312 A HN 0.772 nan 8.150 nan 0.000 0.442 313 A N -0.426 122.403 122.820 0.015 0.000 1.898 313 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 313 A C 2.229 179.853 177.584 0.068 0.000 1.181 313 A CA 1.286 53.353 52.037 0.051 0.000 0.620 313 A CB -0.415 18.599 19.000 0.023 0.000 0.819 313 A HN 0.407 nan 8.150 nan 0.000 0.442 314 R N 0.139 120.672 120.500 0.056 0.000 2.081 314 R HA -0.052 4.287 4.340 -0.001 0.000 0.235 314 R C 2.384 178.739 176.300 0.093 0.000 1.131 314 R CA 1.561 57.755 56.100 0.158 0.000 0.960 314 R CB -0.961 29.429 30.300 0.151 0.000 0.856 314 R HN 0.532 nan 8.270 nan 0.000 0.436 315 S N 1.382 117.088 115.700 0.010 0.000 2.368 315 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 315 S C 1.342 175.862 174.600 -0.133 0.000 1.029 315 S CA 1.291 59.420 58.200 -0.118 0.000 0.988 315 S CB -0.206 63.078 63.200 0.142 0.000 0.838 315 S HN 0.271 nan 8.310 nan 0.000 0.462 316 D N 1.679 122.181 120.400 0.170 0.000 2.116 316 D HA -0.090 4.549 4.640 -0.001 0.000 0.193 316 D C 1.893 178.204 176.300 0.018 0.000 0.998 316 D CA 0.910 55.052 54.000 0.237 0.000 0.836 316 D CB -0.435 40.502 40.800 0.228 0.000 0.951 316 D HN 0.300 nan 8.370 nan 0.000 0.449 317 L N -0.054 121.155 121.223 -0.023 0.000 2.056 317 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 317 L C 2.395 179.080 176.870 -0.308 0.000 1.078 317 L CA 0.465 55.263 54.840 -0.070 0.000 0.749 317 L CB -0.199 41.896 42.059 0.061 0.000 0.901 317 L HN 0.070 nan 8.230 nan 0.000 0.433 318 L N -0.953 119.902 121.223 -0.613 0.000 2.072 318 L HA -0.099 4.241 4.340 -0.001 0.000 0.205 318 L C 2.304 178.472 176.870 -1.169 0.000 1.079 318 L CA 1.504 55.645 54.840 -1.166 0.000 0.752 318 L CB -0.284 40.788 42.059 -1.645 0.000 0.906 318 L HN -0.095 nan 8.230 nan 0.000 0.436 319 V N 0.034 119.381 119.914 -0.945 0.000 2.407 319 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 319 V C 2.299 178.201 176.094 -0.320 0.000 1.055 319 V CA 1.912 63.792 62.300 -0.700 0.000 1.049 319 V CB -0.785 30.527 31.823 -0.852 0.000 0.662 319 V HN 0.590 nan 8.190 nan 0.000 0.455 320 D N -0.746 119.540 120.400 -0.190 0.000 2.117 320 D HA -0.209 4.431 4.640 -0.001 0.000 0.197 320 D C 2.230 178.503 176.300 -0.045 0.000 0.987 320 D CA 1.193 55.198 54.000 0.009 0.000 0.829 320 D CB -0.009 40.859 40.800 0.113 0.000 0.961 320 D HN 0.294 nan 8.370 nan 0.000 0.460 321 Q N -0.477 119.228 119.800 -0.158 0.000 2.050 321 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 321 Q C 2.155 178.172 176.000 0.029 0.000 0.980 321 Q CA 1.002 56.739 55.803 -0.110 0.000 0.840 321 Q CB -0.611 28.001 28.738 -0.210 0.000 0.898 321 Q HN 0.556 nan 8.270 nan 0.000 0.424 322 W N 1.519 122.707 121.300 -0.187 0.000 2.338 322 W HA -0.105 4.554 4.660 -0.001 0.000 0.304 322 W C 2.070 178.468 176.519 -0.201 0.000 1.212 322 W CA 0.777 58.011 57.345 -0.184 0.000 1.264 322 W CB -0.664 28.656 29.460 -0.232 0.000 1.142 322 W HN 0.219 nan 8.180 nan 0.000 0.512 323 K N 0.137 120.497 120.400 -0.067 0.000 2.211 323 K HA -0.128 4.191 4.320 -0.001 0.000 0.203 323 K C 1.919 178.374 176.600 -0.242 0.000 1.050 323 K CA 1.140 57.236 56.287 -0.318 0.000 0.945 323 K CB -0.203 31.784 32.500 -0.855 0.000 0.732 323 K HN 0.097 nan 8.250 nan 0.000 0.451 324 K N 1.048 121.396 120.400 -0.087 0.000 2.025 324 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 324 K C 2.105 178.774 176.600 0.114 0.000 1.049 324 K CA 1.129 57.486 56.287 0.117 0.000 0.933 324 K CB 0.003 32.586 32.500 0.138 0.000 0.714 324 K HN 0.006 nan 8.250 nan 0.000 0.438 325 K N 0.842 121.314 120.400 0.119 0.000 2.063 325 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 325 K C 2.021 178.736 176.600 0.192 0.000 1.048 325 K CA 1.314 57.697 56.287 0.160 0.000 0.928 325 K CB -0.095 32.516 32.500 0.185 0.000 0.713 325 K HN 0.142 nan 8.250 nan 0.000 0.442 326 A N 1.117 124.030 122.820 0.155 0.000 2.070 326 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 326 A C 1.719 179.468 177.584 0.274 0.000 1.159 326 A CA 1.262 53.425 52.037 0.210 0.000 0.656 326 A CB -0.304 18.767 19.000 0.119 0.000 0.800 326 A HN 0.301 nan 8.150 nan 0.000 0.453 327 E N 0.047 120.386 120.200 0.232 0.000 2.265 327 E HA -0.087 4.262 4.350 -0.001 0.000 0.196 327 E C 1.597 178.323 176.600 0.210 0.000 0.996 327 E CA 0.645 57.193 56.400 0.247 0.000 0.832 327 E CB -0.230 29.638 29.700 0.281 0.000 0.756 327 E HN 0.720 nan 8.360 nan 0.000 0.491 328 L N -0.534 120.770 121.223 0.135 0.000 2.599 328 L HA 0.031 4.371 4.340 -0.001 0.000 0.230 328 L C 0.243 176.916 176.870 -0.329 0.000 1.141 328 L CA 0.271 55.062 54.840 -0.081 0.000 0.877 328 L CB -0.100 41.793 42.059 -0.277 0.000 1.009 328 L HN 0.001 nan 8.230 nan 0.000 0.447 329 Y N -1.645 118.736 120.300 0.136 0.000 2.633 329 Y HA 0.377 4.927 4.550 -0.001 0.000 0.339 329 Y C 1.138 177.156 175.900 0.196 0.000 1.045 329 Y CA -0.974 57.227 58.100 0.168 0.000 1.098 329 Y CB 1.178 39.746 38.460 0.179 0.000 1.296 329 Y HN -0.287 nan 8.280 nan 0.000 0.494 330 R N -0.576 120.166 120.500 0.403 0.000 2.265 330 R HA 0.093 4.433 4.340 -0.001 0.000 0.194 330 R C 0.329 176.770 176.300 0.234 0.000 0.931 330 R CA 0.715 56.967 56.100 0.254 0.000 1.032 330 R CB 0.285 30.674 30.300 0.148 0.000 0.980 330 R HN 0.754 nan 8.270 nan 0.000 0.497 331 T N -0.855 113.879 114.554 0.301 0.000 2.922 331 T HA 0.107 4.456 4.350 -0.001 0.000 0.281 331 T C 0.639 175.489 174.700 0.250 0.000 1.005 331 T CA -0.929 61.313 62.100 0.237 0.000 0.982 331 T CB 1.199 70.185 68.868 0.198 0.000 1.158 331 T HN 0.077 nan 8.240 nan 0.000 0.566 332 N N 0.021 118.840 118.700 0.198 0.000 2.327 332 N HA 0.143 4.883 4.740 -0.001 0.000 0.231 332 N C -0.719 174.771 175.510 -0.034 0.000 1.130 332 N CA -0.365 52.763 53.050 0.130 0.000 0.845 332 N CB -0.084 38.411 38.487 0.012 0.000 1.073 332 N HN 0.373 nan 8.380 nan 0.000 0.496 333 V N 1.329 121.258 119.914 0.024 0.000 2.409 333 V HA 0.417 4.536 4.120 -0.001 0.000 0.291 333 V C -0.627 175.542 176.094 0.124 0.000 1.020 333 V CA -0.966 61.346 62.300 0.019 0.000 0.848 333 V CB 1.569 33.390 31.823 -0.003 0.000 0.990 333 V HN 0.180 nan 8.190 nan 0.000 0.430 334 L N 5.747 126.978 121.223 0.013 0.000 2.341 334 L HA 0.694 5.033 4.340 -0.001 0.000 0.278 334 L C -0.858 175.870 176.870 -0.237 0.000 1.005 334 L CA -0.469 54.298 54.840 -0.121 0.000 0.818 334 L CB 1.670 43.552 42.059 -0.295 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.337 127.212 121.223 -0.581 0.000 2.264 335 L HA 0.560 4.899 4.340 -0.001 0.000 0.289 335 L C -1.029 175.550 176.870 -0.486 0.000 1.044 335 L CA 0.130 54.480 54.840 -0.817 0.000 0.807 335 L CB 0.794 41.886 42.059 -1.612 0.000 1.192 335 L HN 0.443 nan 8.230 nan 0.000 0.425 336 I N 7.392 127.762 120.570 -0.333 0.000 2.502 336 I HA 0.336 4.506 4.170 -0.001 0.000 0.276 336 I C -2.282 173.817 176.117 -0.031 0.000 1.057 336 I CA -1.992 59.202 61.300 -0.176 0.000 1.163 336 I CB 1.019 38.883 38.000 -0.226 0.000 1.288 336 I HN 0.426 nan 8.210 nan 0.000 0.479 337 P HA 0.138 nan 4.420 nan 0.000 0.269 337 P C -0.433 177.050 177.300 0.304 0.000 1.209 337 P CA -0.202 63.034 63.100 0.227 0.000 0.776 337 P CB 0.823 32.688 31.700 0.275 0.000 0.876 338 L N 2.876 124.323 121.223 0.373 0.000 2.454 338 L HA 0.751 5.091 4.340 -0.001 0.000 0.258 338 L C -0.138 176.802 176.870 0.117 0.000 1.025 338 L CA 0.387 55.361 54.840 0.222 0.000 0.901 338 L CB 0.468 42.586 42.059 0.099 0.000 1.210 338 L HN 0.606 nan 8.230 nan 0.000 0.457 339 G N 1.547 110.289 108.800 -0.096 0.000 2.430 339 G HA2 0.492 4.452 3.960 -0.001 0.000 0.300 339 G HA3 0.492 4.452 3.960 -0.001 0.000 0.300 339 G C -2.193 172.578 174.900 -0.214 0.000 1.330 339 G CA -0.220 44.571 45.100 -0.515 0.000 0.813 339 G HN 0.375 nan 8.290 nan 0.000 0.487 340 D N -1.784 118.557 120.400 -0.097 0.000 2.879 340 D HA 0.302 4.942 4.640 -0.001 0.000 0.346 340 D C -1.508 174.923 176.300 0.219 0.000 1.390 340 D CA -0.449 53.680 54.000 0.215 0.000 0.838 340 D CB 1.319 42.201 40.800 0.136 0.000 1.416 340 D HN 0.213 nan 8.370 nan 0.000 0.493 341 D N 0.472 121.063 120.400 0.319 0.000 2.417 341 D HA 0.220 4.859 4.640 -0.001 0.000 0.250 341 D C 0.163 176.625 176.300 0.270 0.000 1.166 341 D CA 0.506 54.680 54.000 0.291 0.000 0.881 341 D CB -0.323 40.760 40.800 0.473 0.000 1.164 341 D HN 0.371 nan 8.370 nan 0.000 0.467 342 F N 0.227 120.238 119.950 0.102 0.000 3.048 342 F HA -0.315 4.212 4.527 -0.001 0.000 0.269 342 F C 1.174 177.013 175.800 0.065 0.000 0.960 342 F CA 0.552 58.590 58.000 0.064 0.000 0.909 342 F CB -0.783 38.245 39.000 0.047 0.000 0.837 342 F HN 0.226 nan 8.300 nan 0.000 0.768 343 R N -0.447 120.136 120.500 0.138 0.000 2.580 343 R HA 0.490 4.830 4.340 -0.001 0.000 0.267 343 R C 0.789 177.123 176.300 0.057 0.000 1.125 343 R CA -0.714 55.355 56.100 -0.052 0.000 1.188 343 R CB -0.088 30.061 30.300 -0.251 0.000 1.155 343 R HN 0.238 nan 8.270 nan 0.000 0.586 344 F N -0.681 119.112 119.950 -0.262 0.000 3.071 344 F HA -0.286 4.240 4.527 -0.001 0.000 0.295 344 F C 1.413 177.177 175.800 -0.060 0.000 0.919 344 F CA 1.015 58.672 58.000 -0.571 0.000 1.050 344 F CB -0.884 37.516 39.000 -1.000 0.000 1.040 344 F HN 0.581 nan 8.300 nan 0.000 0.692 345 K N -0.033 120.430 120.400 0.105 0.000 2.099 345 K HA 0.020 4.340 4.320 -0.001 0.000 0.203 345 K C 0.658 177.406 176.600 0.246 0.000 1.047 345 K CA 0.919 57.338 56.287 0.219 0.000 0.963 345 K CB 0.220 32.820 32.500 0.166 0.000 0.759 345 K HN 0.359 nan 8.250 nan 0.000 0.451 346 Q N 0.483 120.401 119.800 0.197 0.000 2.235 346 Q HA 0.174 4.513 4.340 -0.001 0.000 0.250 346 Q C 0.137 176.335 176.000 0.329 0.000 0.909 346 Q CA -0.148 55.795 55.803 0.233 0.000 0.910 346 Q CB 1.455 30.359 28.738 0.276 0.000 1.223 346 Q HN 0.215 nan 8.270 nan 0.000 0.432 347 N N -0.064 118.802 118.700 0.277 0.000 2.149 347 N HA -0.211 4.529 4.740 -0.001 0.000 0.188 347 N C 1.296 176.978 175.510 0.287 0.000 1.019 347 N CA 1.721 54.940 53.050 0.281 0.000 0.857 347 N CB -0.001 38.593 38.487 0.179 0.000 0.997 347 N HN 0.743 nan 8.380 nan 0.000 0.426 348 T N -1.326 113.387 114.554 0.264 0.000 2.881 348 T HA -0.154 4.195 4.350 -0.001 0.000 0.270 348 T C 1.640 176.540 174.700 0.332 0.000 1.068 348 T CA 1.037 63.310 62.100 0.288 0.000 1.131 348 T CB -0.183 68.845 68.868 0.266 0.000 0.871 348 T HN 0.316 nan 8.240 nan 0.000 0.479 349 E N -0.212 120.134 120.200 0.242 0.000 2.072 349 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 349 E C 1.810 178.329 176.600 -0.135 0.000 0.982 349 E CA 0.677 56.991 56.400 -0.144 0.000 0.803 349 E CB -0.251 29.191 29.700 -0.431 0.000 0.755 349 E HN 0.694 nan 8.360 nan 0.000 0.453 350 W N 1.855 123.094 121.300 -0.103 0.000 2.335 350 W HA -0.201 4.458 4.660 -0.001 0.000 0.311 350 W C 2.122 178.519 176.519 -0.203 0.000 1.213 350 W CA 1.372 58.565 57.345 -0.252 0.000 1.274 350 W CB -0.273 28.703 29.460 -0.806 0.000 1.148 350 W HN 0.189 nan 8.180 nan 0.000 0.498 351 D N -0.621 119.896 120.400 0.195 0.000 2.097 351 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 351 D C 2.282 178.681 176.300 0.166 0.000 0.984 351 D CA 1.435 55.587 54.000 0.253 0.000 0.826 351 D CB -0.978 39.970 40.800 0.246 0.000 0.973 351 D HN 0.032 nan 8.370 nan 0.000 0.460 352 V N 0.976 120.972 119.914 0.137 0.000 2.427 352 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 352 V C 2.227 178.363 176.094 0.070 0.000 1.051 352 V CA 1.542 63.903 62.300 0.101 0.000 1.048 352 V CB -0.058 31.871 31.823 0.177 0.000 0.666 352 V HN 0.146 nan 8.190 nan 0.000 0.456 353 Q N -0.312 119.563 119.800 0.125 0.000 2.049 353 Q HA -0.182 4.157 4.340 -0.001 0.000 0.198 353 Q C 2.347 178.544 176.000 0.328 0.000 0.971 353 Q CA 1.847 57.816 55.803 0.276 0.000 0.833 353 Q CB -0.471 28.403 28.738 0.226 0.000 0.896 353 Q HN 0.612 nan 8.270 nan 0.000 0.434 354 R N 0.499 121.162 120.500 0.271 0.000 2.073 354 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 354 R C 2.232 178.708 176.300 0.293 0.000 1.134 354 R CA 1.386 57.701 56.100 0.358 0.000 0.952 354 R CB -0.077 30.429 30.300 0.343 0.000 0.850 354 R HN 0.058 nan 8.270 nan 0.000 0.433 355 V N 1.901 121.907 119.914 0.153 0.000 2.358 355 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 355 V C 2.000 178.036 176.094 -0.096 0.000 1.047 355 V CA 1.807 64.140 62.300 0.055 0.000 1.035 355 V CB -0.595 31.252 31.823 0.039 0.000 0.658 355 V HN 0.438 nan 8.190 nan 0.000 0.452 356 N N -0.626 117.902 118.700 -0.287 0.000 2.120 356 N HA -0.174 4.565 4.740 -0.001 0.000 0.188 356 N C 1.854 177.037 175.510 -0.546 0.000 1.024 356 N CA 1.665 54.327 53.050 -0.647 0.000 0.852 356 N CB -0.319 37.193 38.487 -1.625 0.000 1.003 356 N HN 0.520 nan 8.380 nan 0.000 0.424 357 Y N 1.873 121.969 120.300 -0.341 0.000 2.242 357 Y HA -0.077 4.473 4.550 -0.001 0.000 0.291 357 Y C 2.346 177.737 175.900 -0.848 0.000 1.137 357 Y CA 1.046 58.832 58.100 -0.523 0.000 1.181 357 Y CB -0.054 38.202 38.460 -0.341 0.000 0.989 357 Y HN 0.137 nan 8.280 nan 0.000 0.527 358 E N -0.334 119.713 120.200 -0.255 0.000 2.150 358 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 358 E C 2.181 178.730 176.600 -0.085 0.000 0.985 358 E CA 0.808 57.134 56.400 -0.123 0.000 0.814 358 E CB -0.095 29.676 29.700 0.119 0.000 0.752 358 E HN 0.460 nan 8.360 nan 0.000 0.466 359 R N 0.328 120.756 120.500 -0.119 0.000 2.092 359 R HA -0.083 4.257 4.340 -0.001 0.000 0.231 359 R C 2.412 178.685 176.300 -0.045 0.000 1.119 359 R CA 0.840 56.902 56.100 -0.064 0.000 0.970 359 R CB -0.222 30.020 30.300 -0.096 0.000 0.864 359 R HN 0.156 nan 8.270 nan 0.000 0.440 360 L N -0.425 120.705 121.223 -0.156 0.000 2.017 360 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 360 L C 2.198 179.122 176.870 0.091 0.000 1.073 360 L CA 1.497 56.286 54.840 -0.085 0.000 0.745 360 L CB -0.436 41.485 42.059 -0.230 0.000 0.894 360 L HN 0.165 nan 8.230 nan 0.000 0.432 361 F N -0.018 119.951 119.950 0.033 0.000 2.134 361 F HA -0.258 4.268 4.527 -0.001 0.000 0.299 361 F C 2.714 178.527 175.800 0.022 0.000 1.097 361 F CA 1.080 59.089 58.000 0.014 0.000 1.264 361 F CB -0.241 38.726 39.000 -0.055 0.000 1.001 361 F HN 0.172 nan 8.300 nan 0.000 0.479 362 E N -0.035 120.298 120.200 0.222 0.000 2.077 362 E HA -0.307 4.043 4.350 -0.001 0.000 0.193 362 E C 1.963 178.649 176.600 0.144 0.000 0.989 362 E CA 1.542 58.032 56.400 0.149 0.000 0.800 362 E CB -0.170 29.601 29.700 0.118 0.000 0.746 362 E HN 0.481 nan 8.360 nan 0.000 0.452 363 H N 0.234 119.355 119.070 0.084 0.000 2.276 363 H HA -0.054 4.502 4.556 -0.001 0.000 0.301 363 H C 2.046 177.457 175.328 0.137 0.000 1.073 363 H CA 2.207 58.314 56.048 0.098 0.000 1.311 363 H CB -0.210 29.606 29.762 0.091 0.000 1.379 363 H HN 0.146 nan 8.280 nan 0.000 0.494 364 I N 0.492 121.144 120.570 0.137 0.000 2.208 364 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 364 I C 1.629 177.775 176.117 0.049 0.000 1.097 364 I CA 1.447 62.798 61.300 0.085 0.000 1.363 364 I CB -0.300 37.703 38.000 0.005 0.000 1.051 364 I HN 0.372 nan 8.210 nan 0.000 0.413 365 N N 0.207 118.927 118.700 0.034 0.000 2.459 365 N HA -0.091 4.649 4.740 -0.001 0.000 0.181 365 N C 1.745 177.237 175.510 -0.029 0.000 1.046 365 N CA 1.356 54.400 53.050 -0.011 0.000 0.904 365 N CB -0.190 38.283 38.487 -0.023 0.000 0.964 365 N HN 0.396 nan 8.380 nan 0.000 0.444 366 S N -1.046 114.629 115.700 -0.042 0.000 2.556 366 S HA 0.166 4.635 4.470 -0.001 0.000 0.216 366 S C 0.458 174.998 174.600 -0.101 0.000 0.970 366 S CA -0.234 57.931 58.200 -0.058 0.000 0.912 366 S CB 0.308 63.486 63.200 -0.036 0.000 0.790 366 S HN -0.056 nan 8.310 nan 0.000 0.504 367 Q N 1.360 121.068 119.800 -0.152 0.000 2.465 367 Q HA 0.556 4.896 4.340 -0.001 0.000 0.237 367 Q C 0.915 176.771 176.000 -0.240 0.000 1.051 367 Q CA 0.030 55.692 55.803 -0.236 0.000 0.874 367 Q CB 1.140 29.608 28.738 -0.450 0.000 1.207 367 Q HN 0.429 nan 8.270 nan 0.000 0.508 368 A N 2.598 125.347 122.820 -0.118 0.000 1.986 368 A HA -0.267 4.053 4.320 -0.001 0.000 0.220 368 A C 1.607 179.133 177.584 -0.096 0.000 1.171 368 A CA 2.154 54.142 52.037 -0.080 0.000 0.640 368 A CB -0.716 18.264 19.000 -0.033 0.000 0.811 368 A HN 0.889 nan 8.150 nan 0.000 0.451 369 H N -3.245 115.754 119.070 -0.118 0.000 2.457 369 H HA -0.050 4.505 4.556 -0.001 0.000 0.297 369 H C 1.559 176.856 175.328 -0.052 0.000 1.092 369 H CA 1.611 57.584 56.048 -0.125 0.000 1.309 369 H CB -0.715 28.916 29.762 -0.218 0.000 1.382 369 H HN 0.517 nan 8.280 nan 0.000 0.535 370 F N 0.806 120.473 119.950 -0.471 0.000 2.367 370 F HA -0.027 4.500 4.527 -0.001 0.000 0.298 370 F C 0.636 176.385 175.800 -0.085 0.000 1.094 370 F CA 0.234 58.099 58.000 -0.225 0.000 1.409 370 F CB 0.036 38.874 39.000 -0.270 0.000 1.064 370 F HN 0.131 nan 8.300 nan 0.000 0.528 371 N N 0.902 119.657 118.700 0.091 0.000 2.725 371 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 371 N C -1.156 174.346 175.510 -0.013 0.000 1.031 371 N CA 0.363 53.446 53.050 0.055 0.000 0.720 371 N CB -1.473 37.090 38.487 0.126 0.000 0.930 371 N HN 0.031 nan 8.380 nan 0.000 0.543 372 V N 0.701 120.595 119.914 -0.034 0.000 2.709 372 V HA 0.373 4.493 4.120 -0.001 0.000 0.308 372 V C 0.078 176.089 176.094 -0.138 0.000 1.062 372 V CA -0.664 61.561 62.300 -0.124 0.000 0.901 372 V CB 2.483 34.259 31.823 -0.077 0.000 1.003 372 V HN 0.185 nan 8.190 nan 0.000 0.425 373 Q N 3.254 122.915 119.800 -0.231 0.000 2.363 373 Q HA 0.750 5.090 4.340 -0.001 0.000 0.265 373 Q C -0.749 174.995 176.000 -0.426 0.000 1.032 373 Q CA -0.142 55.500 55.803 -0.268 0.000 0.746 373 Q CB 1.552 30.135 28.738 -0.257 0.000 1.237 373 Q HN 0.980 nan 8.270 nan 0.000 0.475 374 A N 4.385 126.941 122.820 -0.440 0.000 2.337 374 A HA 0.901 5.220 4.320 -0.001 0.000 0.329 374 A C -1.109 175.785 177.584 -1.151 0.000 1.146 374 A CA -0.499 51.107 52.037 -0.719 0.000 0.800 374 A CB 1.126 19.893 19.000 -0.389 0.000 1.220 374 A HN 0.769 nan 8.150 nan 0.000 0.472 375 Q N 1.293 120.331 119.800 -1.271 0.000 2.575 375 Q HA 0.424 4.764 4.340 -0.001 0.000 0.290 375 Q C -1.533 174.047 176.000 -0.700 0.000 0.963 375 Q CA -0.627 54.460 55.803 -1.193 0.000 0.783 375 Q CB 0.684 29.097 28.738 -0.543 0.000 1.467 375 Q HN 0.481 nan 8.270 nan 0.000 0.402 376 F N 0.289 120.167 119.950 -0.119 0.000 2.518 376 F HA 0.600 5.126 4.527 -0.001 0.000 0.359 376 F C 1.255 177.114 175.800 0.099 0.000 1.118 376 F CA 1.127 59.182 58.000 0.092 0.000 1.287 376 F CB 1.146 40.249 39.000 0.172 0.000 1.132 376 F HN 0.750 nan 8.300 nan 0.000 0.587 377 G N 0.516 109.509 108.800 0.321 0.000 2.687 377 G HA2 0.582 4.541 3.960 -0.001 0.000 0.291 377 G HA3 0.582 4.541 3.960 -0.001 0.000 0.291 377 G C -1.189 173.712 174.900 0.001 0.000 1.420 377 G CA -0.732 44.480 45.100 0.186 0.000 0.796 377 G HN 0.657 nan 8.290 nan 0.000 0.485 378 T N -1.890 112.580 114.554 -0.139 0.000 2.937 378 T HA 0.477 4.827 4.350 -0.001 0.000 0.283 378 T C 1.278 175.817 174.700 -0.269 0.000 1.012 378 T CA -0.457 61.525 62.100 -0.196 0.000 0.997 378 T CB 1.538 70.304 68.868 -0.170 0.000 1.136 378 T HN 0.566 nan 8.240 nan 0.000 0.551 379 L N 0.529 121.592 121.223 -0.266 0.000 2.046 379 L HA 0.033 4.372 4.340 -0.001 0.000 0.208 379 L C 2.760 179.575 176.870 -0.091 0.000 1.077 379 L CA 1.984 56.693 54.840 -0.220 0.000 0.747 379 L CB -1.122 40.835 42.059 -0.169 0.000 0.896 379 L HN 0.893 nan 8.230 nan 0.000 0.432 380 Q N -0.078 119.698 119.800 -0.039 0.000 2.124 380 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 380 Q C 2.067 177.993 176.000 -0.123 0.000 0.977 380 Q CA 1.925 57.742 55.803 0.023 0.000 0.850 380 Q CB -0.174 28.552 28.738 -0.020 0.000 0.901 380 Q HN 0.634 nan 8.270 nan 0.000 0.429 381 E N -1.162 118.871 120.200 -0.278 0.000 2.077 381 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 381 E C 1.683 177.835 176.600 -0.746 0.000 0.989 381 E CA 1.168 57.279 56.400 -0.482 0.000 0.800 381 E CB -0.310 29.017 29.700 -0.623 0.000 0.746 381 E HN 0.477 nan 8.360 nan 0.000 0.452 382 Y N 0.571 120.334 120.300 -0.896 0.000 2.097 382 Y HA -0.267 4.283 4.550 -0.001 0.000 0.282 382 Y C 1.842 177.454 175.900 -0.480 0.000 1.152 382 Y CA 1.710 59.330 58.100 -0.800 0.000 1.136 382 Y CB -0.600 37.413 38.460 -0.745 0.000 0.975 382 Y HN -0.033 nan 8.280 nan 0.000 0.498 383 F N 0.478 120.159 119.950 -0.448 0.000 2.186 383 F HA -0.208 4.318 4.527 -0.001 0.000 0.299 383 F C 2.214 177.778 175.800 -0.393 0.000 1.090 383 F CA 1.220 58.934 58.000 -0.477 0.000 1.307 383 F CB -0.330 38.588 39.000 -0.137 0.000 1.019 383 F HN 0.069 nan 8.300 nan 0.000 0.489 384 D N 0.406 120.754 120.400 -0.088 0.000 2.123 384 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 384 D C 2.283 178.507 176.300 -0.127 0.000 0.992 384 D CA 1.456 55.413 54.000 -0.071 0.000 0.833 384 D CB -0.558 40.190 40.800 -0.087 0.000 0.954 384 D HN 0.257 nan 8.370 nan 0.000 0.455 385 A N 0.450 123.140 122.820 -0.216 0.000 1.930 385 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 385 A C 2.525 179.991 177.584 -0.198 0.000 1.175 385 A CA 0.967 52.920 52.037 -0.140 0.000 0.627 385 A CB -0.656 18.340 19.000 -0.008 0.000 0.815 385 A HN 0.137 nan 8.150 nan 0.000 0.443 386 V N -0.045 119.616 119.914 -0.422 0.000 2.287 386 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 386 V C 2.424 178.330 176.094 -0.314 0.000 1.053 386 V CA 2.146 64.194 62.300 -0.420 0.000 1.027 386 V CB -1.029 30.361 31.823 -0.722 0.000 0.646 386 V HN 0.653 nan 8.190 nan 0.000 0.447 387 H N -0.259 118.697 119.070 -0.191 0.000 2.462 387 H HA -0.081 4.475 4.556 -0.001 0.000 0.292 387 H C 2.415 177.709 175.328 -0.056 0.000 1.049 387 H CA 1.366 57.333 56.048 -0.134 0.000 1.334 387 H CB -0.084 29.561 29.762 -0.195 0.000 1.404 387 H HN 0.558 nan 8.280 nan 0.000 0.544 388 Q N 0.300 120.118 119.800 0.029 0.000 2.084 388 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 388 Q C 2.567 178.586 176.000 0.032 0.000 0.978 388 Q CA 1.309 57.126 55.803 0.024 0.000 0.844 388 Q CB -0.016 28.725 28.738 0.004 0.000 0.898 388 Q HN 0.405 nan 8.270 nan 0.000 0.426 389 A N 1.094 123.930 122.820 0.026 0.000 1.902 389 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 389 A C 1.945 179.562 177.584 0.055 0.000 1.181 389 A CA 1.639 53.705 52.037 0.048 0.000 0.623 389 A CB -0.563 18.471 19.000 0.055 0.000 0.818 389 A HN 0.445 nan 8.150 nan 0.000 0.443 390 E N -0.249 120.002 120.200 0.084 0.000 2.051 390 E HA -0.217 4.133 4.350 -0.001 0.000 0.192 390 E C 2.220 178.861 176.600 0.068 0.000 0.991 390 E CA 1.134 57.592 56.400 0.096 0.000 0.799 390 E CB -0.135 29.730 29.700 0.274 0.000 0.748 390 E HN 0.573 nan 8.360 nan 0.000 0.449 391 R N -0.319 120.224 120.500 0.071 0.000 2.189 391 R HA -0.035 4.304 4.340 -0.001 0.000 0.223 391 R C 2.045 178.363 176.300 0.030 0.000 1.092 391 R CA 0.797 56.924 56.100 0.045 0.000 0.989 391 R CB -0.086 30.235 30.300 0.036 0.000 0.876 391 R HN 0.126 nan 8.270 nan 0.000 0.457 392 A N 0.173 123.012 122.820 0.032 0.000 2.238 392 A HA 0.188 4.507 4.320 -0.001 0.000 0.208 392 A C 1.350 178.945 177.584 0.019 0.000 1.177 392 A CA 0.751 52.803 52.037 0.026 0.000 0.804 392 A CB -0.087 18.934 19.000 0.035 0.000 0.823 392 A HN 0.428 nan 8.150 nan 0.000 0.482 393 G N -0.290 108.518 108.800 0.014 0.000 2.136 393 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.242 393 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.242 393 G C 0.718 175.613 174.900 -0.010 0.000 0.989 393 G CA 0.749 45.848 45.100 -0.001 0.000 0.682 393 G HN 0.987 nan 8.290 nan 0.000 0.522 394 Q N -0.712 119.089 119.800 0.001 0.000 2.425 394 Q HA 0.667 5.007 4.340 -0.001 0.000 0.204 394 Q C 0.875 176.855 176.000 -0.032 0.000 0.933 394 Q CA 1.249 57.056 55.803 0.006 0.000 0.939 394 Q CB 0.400 29.177 28.738 0.065 0.000 1.044 394 Q HN 1.686 nan 8.270 nan 0.000 0.513 395 A N 1.019 123.777 122.820 -0.104 0.000 2.604 395 A HA 0.539 4.859 4.320 -0.001 0.000 0.295 395 A C -1.709 175.644 177.584 -0.386 0.000 1.067 395 A CA -0.903 50.983 52.037 -0.252 0.000 0.683 395 A CB 1.263 20.066 19.000 -0.327 0.000 1.281 395 A HN 0.377 nan 8.150 nan 0.000 0.407 396 E N 0.741 120.684 120.200 -0.429 0.000 2.317 396 E HA 0.765 5.114 4.350 -0.001 0.000 0.270 396 E C -1.715 174.639 176.600 -0.410 0.000 0.885 396 E CA -0.608 55.596 56.400 -0.328 0.000 0.760 396 E CB 1.885 31.527 29.700 -0.097 0.000 1.227 396 E HN 0.391 nan 8.360 nan 0.000 0.434 397 F N 1.330 121.386 119.950 0.177 0.000 2.492 397 F HA 0.440 4.966 4.527 -0.000 0.000 0.327 397 F C -1.859 174.040 175.800 0.165 0.000 1.079 397 F CA -2.115 56.010 58.000 0.209 0.000 0.967 397 F CB 1.582 40.784 39.000 0.337 0.000 1.169 397 F HN 0.330 nan 8.300 nan 0.000 0.472 398 P HA 0.169 nan 4.420 nan 0.000 0.274 398 P C -0.708 176.727 177.300 0.225 0.000 1.237 398 P CA -0.378 62.849 63.100 0.212 0.000 0.793 398 P CB 1.010 32.803 31.700 0.155 0.000 0.977 399 T N -0.602 114.037 114.554 0.143 0.000 2.907 399 T HA 0.684 5.033 4.350 -0.001 0.000 0.284 399 T C -0.286 174.440 174.700 0.044 0.000 1.004 399 T CA -0.801 61.376 62.100 0.128 0.000 1.063 399 T CB 1.060 69.983 68.868 0.091 0.000 0.992 399 T HN 0.469 nan 8.240 nan 0.000 0.483 400 L N 1.718 122.967 121.223 0.042 0.000 2.472 400 L HA 0.726 5.066 4.340 -0.001 0.000 0.260 400 L C -0.767 176.092 176.870 -0.019 0.000 0.963 400 L CA -0.430 54.330 54.840 -0.134 0.000 0.829 400 L CB 2.194 43.936 42.059 -0.528 0.000 1.348 400 L HN 1.113 nan 8.230 nan 0.000 0.408 401 S N 2.400 118.042 115.700 -0.096 0.000 2.595 401 S HA 1.060 5.529 4.470 -0.001 0.000 0.281 401 S C -0.342 174.178 174.600 -0.133 0.000 1.117 401 S CA -0.029 58.173 58.200 0.003 0.000 0.873 401 S CB 2.045 65.213 63.200 -0.054 0.000 1.108 401 S HN 1.702 nan 8.310 nan 0.000 0.477 402 G N 1.024 109.803 108.800 -0.034 0.000 2.331 402 G HA2 0.326 4.286 3.960 -0.001 0.000 0.479 402 G HA3 0.326 4.286 3.960 -0.001 0.000 0.479 402 G C -1.831 172.966 174.900 -0.171 0.000 1.262 402 G CA -0.014 44.970 45.100 -0.195 0.000 1.029 402 G HN 1.296 nan 8.290 nan 0.000 0.487 403 D N -1.616 118.554 120.400 -0.384 0.000 2.585 403 D HA 0.740 5.380 4.640 -0.001 0.000 0.254 403 D C -0.611 175.206 176.300 -0.804 0.000 1.067 403 D CA -1.095 52.702 54.000 -0.338 0.000 1.090 403 D CB 1.110 41.888 40.800 -0.037 0.000 1.408 403 D HN 0.425 nan 8.370 nan 0.000 0.554 404 F N -0.388 119.436 119.950 -0.210 0.000 2.679 404 F HA 0.413 4.940 4.527 -0.001 0.000 0.354 404 F C -0.780 174.850 175.800 -0.282 0.000 1.423 404 F CA -0.673 57.204 58.000 -0.205 0.000 1.141 404 F CB 0.242 39.155 39.000 -0.145 0.000 1.168 404 F HN -0.003 nan 8.300 nan 0.000 0.530 405 F N -0.685 119.446 119.950 0.303 0.000 2.561 405 F HA 0.517 5.044 4.527 -0.001 0.000 0.321 405 F C 0.534 176.594 175.800 0.434 0.000 1.065 405 F CA -1.172 57.074 58.000 0.411 0.000 0.934 405 F CB 1.901 41.135 39.000 0.391 0.000 1.215 405 F HN -0.270 nan 8.300 nan 0.000 0.471 406 T N 1.692 116.630 114.554 0.640 0.000 2.806 406 T HA 0.134 4.484 4.350 -0.001 0.000 0.290 406 T C -0.925 174.242 174.700 0.779 0.000 0.966 406 T CA -0.232 62.307 62.100 0.732 0.000 1.060 406 T CB 0.237 69.400 68.868 0.493 0.000 0.927 406 T HN 0.361 nan 8.240 nan 0.000 0.485 407 Y N 2.993 123.622 120.300 0.547 0.000 2.497 407 Y HA 0.430 4.979 4.550 -0.001 0.000 0.334 407 Y C -0.159 175.795 175.900 0.091 0.000 1.199 407 Y CA -1.133 57.124 58.100 0.261 0.000 1.425 407 Y CB 0.148 38.644 38.460 0.059 0.000 1.291 407 Y HN 0.682 nan 8.280 nan 0.000 0.562 408 A N 5.073 127.454 122.820 -0.733 0.000 2.374 408 A HA 0.368 4.688 4.320 -0.001 0.000 0.305 408 A C -0.127 176.836 177.584 -1.034 0.000 1.053 408 A CA -0.270 51.175 52.037 -0.987 0.000 0.726 408 A CB 0.725 18.904 19.000 -1.367 0.000 1.229 408 A HN 0.802 nan 8.150 nan 0.000 0.431 409 D N 1.483 121.414 120.400 -0.783 0.000 2.346 409 D HA 0.056 4.695 4.640 -0.001 0.000 0.206 409 D C 0.525 176.833 176.300 0.012 0.000 1.001 409 D CA 0.532 54.330 54.000 -0.336 0.000 0.871 409 D CB 0.165 40.888 40.800 -0.129 0.000 0.943 409 D HN 0.727 nan 8.370 nan 0.000 0.518 410 R N -2.260 118.191 120.500 -0.081 0.000 2.687 410 R HA 0.404 4.743 4.340 -0.001 0.000 0.265 410 R C -0.169 176.029 176.300 -0.169 0.000 1.048 410 R CA -0.212 55.696 56.100 -0.320 0.000 0.884 410 R CB 0.806 30.994 30.300 -0.187 0.000 1.258 410 R HN -0.118 nan 8.270 nan 0.000 0.469 411 S N 0.299 115.854 115.700 -0.240 0.000 4.050 411 S HA -0.298 4.172 4.470 -0.001 0.000 0.602 411 S C 0.428 175.108 174.600 0.133 0.000 2.030 411 S CA 2.003 60.201 58.200 -0.004 0.000 4.208 411 S CB -1.045 62.137 63.200 -0.030 0.000 0.290 411 S HN 1.084 nan 8.310 nan 0.000 0.615 412 D N 1.387 121.848 120.400 0.102 0.000 2.463 412 D HA 0.203 4.843 4.640 -0.001 0.000 0.224 412 D C -0.023 176.375 176.300 0.162 0.000 1.174 412 D CA -0.150 53.974 54.000 0.206 0.000 0.829 412 D CB -1.421 39.487 40.800 0.180 0.000 0.993 412 D HN 0.507 nan 8.370 nan 0.000 0.497 413 N N 0.961 119.662 118.700 0.003 0.000 2.807 413 N HA 0.054 4.793 4.740 -0.001 0.000 0.259 413 N C -0.929 174.598 175.510 0.028 0.000 1.149 413 N CA -0.313 52.746 53.050 0.015 0.000 1.042 413 N CB 0.160 38.644 38.487 -0.006 0.000 1.367 413 N HN 0.136 nan 8.380 nan 0.000 0.516 414 Y N 0.240 120.627 120.300 0.144 0.000 2.316 414 Y HA 0.111 4.660 4.550 -0.001 0.000 0.331 414 Y C 0.109 176.207 175.900 0.330 0.000 1.083 414 Y CA -0.671 57.576 58.100 0.245 0.000 1.206 414 Y CB 0.563 39.114 38.460 0.153 0.000 1.195 414 Y HN 0.398 nan 8.280 nan 0.000 0.497 415 W N 2.519 123.943 121.300 0.208 0.000 1.694 415 W HA 0.217 4.877 4.660 -0.001 0.000 0.425 415 W C 0.835 177.399 176.519 0.076 0.000 0.615 415 W CA -0.546 56.954 57.345 0.258 0.000 2.237 415 W CB -0.520 29.197 29.460 0.429 0.000 1.478 415 W HN 0.550 nan 8.180 nan 0.000 0.427 416 S N -2.084 113.652 115.700 0.061 0.000 2.524 416 S HA 0.134 4.603 4.470 -0.001 0.000 0.215 416 S C 1.946 176.282 174.600 -0.440 0.000 0.986 416 S CA 0.313 58.183 58.200 -0.549 0.000 0.911 416 S CB 0.174 63.372 63.200 -0.003 0.000 0.805 416 S HN 0.340 nan 8.310 nan 0.000 0.501 417 G N 2.035 110.771 108.800 -0.106 0.000 2.422 417 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.218 417 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.218 417 G C 1.250 176.128 174.900 -0.036 0.000 1.146 417 G CA 0.901 45.949 45.100 -0.087 0.000 0.769 417 G HN 0.806 nan 8.290 nan 0.000 0.547 418 Y N -0.942 119.327 120.300 -0.051 0.000 2.616 418 Y HA 0.178 4.727 4.550 -0.001 0.000 0.296 418 Y C 1.960 177.980 175.900 0.200 0.000 1.154 418 Y CA -0.017 58.132 58.100 0.081 0.000 1.325 418 Y CB -0.527 38.064 38.460 0.219 0.000 1.007 418 Y HN 0.332 nan 8.280 nan 0.000 0.542 419 Y N 0.284 120.373 120.300 -0.353 0.000 2.497 419 Y HA -0.099 4.450 4.550 -0.001 0.000 0.292 419 Y C 1.475 177.329 175.900 -0.078 0.000 1.137 419 Y CA 0.649 58.572 58.100 -0.296 0.000 1.285 419 Y CB 0.178 38.500 38.460 -0.229 0.000 0.991 419 Y HN 0.257 nan 8.280 nan 0.000 0.556 420 T N -2.283 112.341 114.554 0.117 0.000 2.964 420 T HA 0.048 4.398 4.350 -0.001 0.000 0.250 420 T C 0.635 175.425 174.700 0.149 0.000 0.982 420 T CA -0.160 62.011 62.100 0.117 0.000 0.959 420 T CB 0.133 69.041 68.868 0.066 0.000 1.141 420 T HN -0.088 nan 8.240 nan 0.000 0.494 421 S N 2.460 118.246 115.700 0.143 0.000 2.573 421 S HA 0.185 4.655 4.470 -0.001 0.000 0.297 421 S C 0.421 175.157 174.600 0.227 0.000 1.280 421 S CA 0.003 58.298 58.200 0.159 0.000 1.061 421 S CB 0.085 63.364 63.200 0.132 0.000 0.812 421 S HN 0.403 nan 8.310 nan 0.000 0.500 422 R N 0.951 121.603 120.500 0.252 0.000 3.205 422 R HA -0.122 4.218 4.340 -0.001 0.000 0.249 422 R C -1.969 174.582 176.300 0.418 0.000 0.937 422 R CA 0.706 57.031 56.100 0.376 0.000 0.641 422 R CB -1.810 28.741 30.300 0.418 0.000 1.114 422 R HN 0.512 nan 8.270 nan 0.000 0.451 423 P HA -0.224 nan 4.420 nan 0.000 0.223 423 P C 1.120 178.631 177.300 0.351 0.000 1.151 423 P CA 0.989 64.308 63.100 0.364 0.000 0.787 423 P CB -0.020 31.937 31.700 0.429 0.000 0.788 424 Y N 1.471 121.862 120.300 0.151 0.000 2.165 424 Y HA -0.258 4.292 4.550 -0.001 0.000 0.286 424 Y C 2.293 178.172 175.900 -0.035 0.000 1.155 424 Y CA 2.075 60.182 58.100 0.012 0.000 1.164 424 Y CB -0.928 37.418 38.460 -0.191 0.000 0.978 424 Y HN 0.062 nan 8.280 nan 0.000 0.513 425 H N -0.826 118.490 119.070 0.410 0.000 2.470 425 H HA 0.012 4.568 4.556 -0.001 0.000 0.289 425 H C 2.044 177.521 175.328 0.249 0.000 1.033 425 H CA 1.259 57.472 56.048 0.275 0.000 1.331 425 H CB -0.061 29.930 29.762 0.381 0.000 1.414 425 H HN 0.251 nan 8.280 nan 0.000 0.545 426 K N 0.363 120.979 120.400 0.360 0.000 2.057 426 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 426 K C 2.256 178.916 176.600 0.101 0.000 1.049 426 K CA 1.240 57.681 56.287 0.257 0.000 0.931 426 K CB 0.060 32.691 32.500 0.218 0.000 0.714 426 K HN 0.028 nan 8.250 nan 0.000 0.440 427 R N 1.428 121.959 120.500 0.053 0.000 2.075 427 R HA -0.018 4.322 4.340 -0.001 0.000 0.232 427 R C 2.061 178.136 176.300 -0.374 0.000 1.126 427 R CA 1.468 57.533 56.100 -0.059 0.000 0.963 427 R CB -0.460 29.895 30.300 0.093 0.000 0.858 427 R HN 0.168 nan 8.270 nan 0.000 0.435 428 M N 0.281 119.530 119.600 -0.585 0.000 2.149 428 M HA -0.217 4.263 4.480 -0.001 0.000 0.261 428 M C 1.475 177.463 176.300 -0.521 0.000 1.064 428 M CA 2.447 57.160 55.300 -0.978 0.000 1.102 428 M CB -0.358 31.835 32.600 -0.679 0.000 1.369 428 M HN 0.291 nan 8.290 nan 0.000 0.408 429 D N -0.261 120.017 120.400 -0.203 0.000 2.116 429 D HA -0.226 4.413 4.640 -0.001 0.000 0.193 429 D C 1.881 178.111 176.300 -0.117 0.000 0.998 429 D CA 1.521 55.501 54.000 -0.034 0.000 0.836 429 D CB 0.103 41.026 40.800 0.205 0.000 0.951 429 D HN 0.224 nan 8.370 nan 0.000 0.449 430 R N -0.001 120.409 120.500 -0.150 0.000 2.115 430 R HA -0.000 4.339 4.340 -0.001 0.000 0.226 430 R C 2.409 178.582 176.300 -0.213 0.000 1.100 430 R CA 0.381 56.386 56.100 -0.158 0.000 0.980 430 R CB -0.888 29.335 30.300 -0.127 0.000 0.875 430 R HN 0.266 nan 8.270 nan 0.000 0.445 431 V N 1.431 121.152 119.914 -0.322 0.000 2.307 431 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 431 V C 2.336 178.343 176.094 -0.146 0.000 1.045 431 V CA 1.465 63.579 62.300 -0.309 0.000 1.024 431 V CB -0.548 30.890 31.823 -0.641 0.000 0.651 431 V HN 0.137 nan 8.190 nan 0.000 0.449 432 L N -0.382 120.726 121.223 -0.192 0.000 2.141 432 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 432 L C 2.288 179.115 176.870 -0.072 0.000 1.094 432 L CA 1.966 56.760 54.840 -0.076 0.000 0.763 432 L CB -0.675 41.308 42.059 -0.127 0.000 0.908 432 L HN 0.334 nan 8.230 nan 0.000 0.437 433 M N -1.270 118.260 119.600 -0.117 0.000 2.082 433 M HA -0.328 4.152 4.480 -0.001 0.000 0.258 433 M C 2.379 178.584 176.300 -0.160 0.000 1.069 433 M CA 2.423 57.636 55.300 -0.145 0.000 1.102 433 M CB -0.413 32.069 32.600 -0.195 0.000 1.336 433 M HN 0.556 nan 8.290 nan 0.000 0.404 434 H N -0.789 118.128 119.070 -0.255 0.000 2.357 434 H HA -0.149 4.406 4.556 -0.001 0.000 0.301 434 H C 1.445 176.619 175.328 -0.256 0.000 1.082 434 H CA 2.372 58.238 56.048 -0.304 0.000 1.342 434 H CB -0.475 29.027 29.762 -0.434 0.000 1.389 434 H HN 0.566 nan 8.280 nan 0.000 0.511 435 Y N -0.950 119.213 120.300 -0.228 0.000 2.373 435 Y HA -0.121 4.429 4.550 -0.001 0.000 0.293 435 Y C 2.598 178.380 175.900 -0.198 0.000 1.129 435 Y CA 0.637 58.598 58.100 -0.232 0.000 1.226 435 Y CB 0.154 38.547 38.460 -0.111 0.000 1.000 435 Y HN 0.111 nan 8.280 nan 0.000 0.549 436 V N 0.298 120.188 119.914 -0.040 0.000 2.307 436 V HA -0.303 3.816 4.120 -0.001 0.000 0.245 436 V C 2.448 178.480 176.094 -0.102 0.000 1.045 436 V CA 2.081 64.340 62.300 -0.069 0.000 1.024 436 V CB -0.521 31.253 31.823 -0.082 0.000 0.651 436 V HN 0.345 nan 8.190 nan 0.000 0.449 437 R N 0.446 120.852 120.500 -0.157 0.000 2.083 437 R HA -0.181 4.159 4.340 -0.001 0.000 0.237 437 R C 2.246 178.485 176.300 -0.102 0.000 1.137 437 R CA 1.903 57.921 56.100 -0.136 0.000 0.951 437 R CB -0.486 29.717 30.300 -0.161 0.000 0.851 437 R HN 0.459 nan 8.270 nan 0.000 0.434 438 A N 0.659 123.369 122.820 -0.183 0.000 1.930 438 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 438 A C 2.368 179.959 177.584 0.011 0.000 1.175 438 A CA 1.565 53.590 52.037 -0.021 0.000 0.627 438 A CB -0.713 18.238 19.000 -0.081 0.000 0.815 438 A HN 0.573 nan 8.150 nan 0.000 0.443 439 A N -0.121 122.696 122.820 -0.005 0.000 1.898 439 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 439 A C 1.935 179.492 177.584 -0.045 0.000 1.181 439 A CA 1.549 53.578 52.037 -0.014 0.000 0.620 439 A CB -0.506 18.480 19.000 -0.023 0.000 0.819 439 A HN 0.619 nan 8.150 nan 0.000 0.442 440 E N -0.965 119.200 120.200 -0.058 0.000 2.077 440 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 440 E C 2.062 178.612 176.600 -0.084 0.000 0.989 440 E CA 1.357 57.710 56.400 -0.078 0.000 0.800 440 E CB -0.259 29.392 29.700 -0.081 0.000 0.746 440 E HN 0.750 nan 8.360 nan 0.000 0.452 441 M N 0.722 120.296 119.600 -0.043 0.000 2.099 441 M HA -0.138 4.341 4.480 -0.001 0.000 0.262 441 M C 2.157 178.465 176.300 0.013 0.000 1.067 441 M CA 1.323 56.598 55.300 -0.041 0.000 1.124 441 M CB 0.053 32.723 32.600 0.117 0.000 1.353 441 M HN 0.074 nan 8.290 nan 0.000 0.410 442 L N 0.071 121.357 121.223 0.104 0.000 2.083 442 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 442 L C 2.604 179.635 176.870 0.268 0.000 1.083 442 L CA 1.678 56.636 54.840 0.197 0.000 0.752 442 L CB -0.516 41.519 42.059 -0.042 0.000 0.899 442 L HN 0.510 nan 8.230 nan 0.000 0.433 443 S N -1.030 114.752 115.700 0.136 0.000 2.528 443 S HA 0.075 4.545 4.470 -0.001 0.000 0.219 443 S C 1.977 176.751 174.600 0.290 0.000 0.985 443 S CA 0.374 58.726 58.200 0.253 0.000 0.914 443 S CB 0.032 63.191 63.200 -0.069 0.000 0.776 443 S HN 0.292 nan 8.310 nan 0.000 0.526 444 A N 0.967 123.785 122.820 -0.003 0.000 2.015 444 A HA 0.087 4.406 4.320 -0.001 0.000 0.219 444 A C 1.696 179.176 177.584 -0.173 0.000 1.163 444 A CA 0.785 52.724 52.037 -0.164 0.000 0.646 444 A CB -1.183 17.566 19.000 -0.418 0.000 0.806 444 A HN 0.754 nan 8.150 nan 0.000 0.448 445 W N -0.631 120.684 121.300 0.025 0.000 2.392 445 W HA -0.032 4.628 4.660 -0.001 0.000 0.279 445 W C 0.950 177.274 176.519 -0.325 0.000 1.225 445 W CA 1.072 58.335 57.345 -0.136 0.000 1.233 445 W CB -0.192 29.143 29.460 -0.208 0.000 1.122 445 W HN 0.396 nan 8.180 nan 0.000 0.561 446 H N -2.372 116.751 119.070 0.088 0.000 2.771 446 H HA 0.365 4.921 4.556 -0.001 0.000 0.367 446 H C -0.418 174.807 175.328 -0.172 0.000 1.172 446 H CA -0.941 55.001 56.048 -0.177 0.000 1.186 446 H CB 1.743 31.151 29.762 -0.590 0.000 1.790 446 H HN -0.437 nan 8.280 nan 0.000 0.556 447 S N 0.891 116.546 115.700 -0.075 0.000 2.525 447 S HA 0.290 4.759 4.470 -0.001 0.000 0.278 447 S C -1.361 173.137 174.600 -0.170 0.000 1.234 447 S CA -0.647 57.535 58.200 -0.030 0.000 1.058 447 S CB 0.167 63.355 63.200 -0.019 0.000 0.983 447 S HN 0.399 nan 8.310 nan 0.000 0.495 448 W N 2.479 123.777 121.300 -0.003 0.000 2.632 448 W HA 0.360 5.019 4.660 -0.001 0.000 0.328 448 W C -0.013 176.461 176.519 -0.075 0.000 1.044 448 W CA -0.822 56.492 57.345 -0.051 0.000 1.225 448 W CB 0.682 30.074 29.460 -0.114 0.000 1.396 448 W HN 0.652 nan 8.180 nan 0.000 0.499 449 D N 0.807 121.289 120.400 0.137 0.000 2.423 449 D HA 0.158 4.797 4.640 -0.001 0.000 0.238 449 D C 1.651 177.957 176.300 0.009 0.000 1.142 449 D CA 1.042 55.087 54.000 0.074 0.000 0.884 449 D CB 1.260 42.131 40.800 0.118 0.000 1.199 449 D HN 0.545 nan 8.370 nan 0.000 0.438 450 G N 2.748 111.559 108.800 0.020 0.000 2.450 450 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.220 450 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.220 450 G C 1.307 176.185 174.900 -0.037 0.000 1.130 450 G CA 0.451 45.548 45.100 -0.006 0.000 0.760 450 G HN 0.479 nan 8.290 nan 0.000 0.557 451 M N 1.051 120.644 119.600 -0.011 0.000 2.446 451 M HA 0.101 4.581 4.480 -0.001 0.000 0.263 451 M C 2.732 178.966 176.300 -0.110 0.000 1.066 451 M CA 0.702 56.021 55.300 0.031 0.000 1.087 451 M CB -0.867 31.852 32.600 0.198 0.000 1.406 451 M HN 0.317 nan 8.290 nan 0.000 0.459 452 A N -0.170 122.344 122.820 -0.509 0.000 2.167 452 A HA -0.019 4.300 4.320 -0.001 0.000 0.214 452 A C 1.239 178.615 177.584 -0.348 0.000 1.151 452 A CA 0.320 51.831 52.037 -0.877 0.000 0.735 452 A CB -0.331 17.957 19.000 -1.188 0.000 0.802 452 A HN 0.583 nan 8.150 nan 0.000 0.467 453 R N -1.715 118.659 120.500 -0.210 0.000 3.758 453 R HA -0.180 4.160 4.340 -0.001 0.000 0.299 453 R C 0.671 176.860 176.300 -0.185 0.000 1.182 453 R CA 0.759 56.777 56.100 -0.137 0.000 0.809 453 R CB -2.127 28.126 30.300 -0.078 0.000 1.249 453 R HN 0.475 nan 8.270 nan 0.000 0.497 454 I N 0.503 120.910 120.570 -0.271 0.000 2.233 454 I HA -0.176 3.993 4.170 -0.001 0.000 0.243 454 I C 2.123 178.113 176.117 -0.211 0.000 1.093 454 I CA 1.640 62.734 61.300 -0.343 0.000 1.380 454 I CB -0.658 36.983 38.000 -0.599 0.000 1.067 454 I HN 0.196 nan 8.210 nan 0.000 0.413 455 E N 0.733 120.847 120.200 -0.143 0.000 2.110 455 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 455 E C 2.089 178.642 176.600 -0.078 0.000 0.988 455 E CA 1.188 57.534 56.400 -0.090 0.000 0.804 455 E CB -0.228 29.443 29.700 -0.049 0.000 0.745 455 E HN 0.477 nan 8.360 nan 0.000 0.458 456 E N 0.388 120.544 120.200 -0.074 0.000 2.051 456 E HA -0.248 4.102 4.350 -0.001 0.000 0.192 456 E C 1.905 178.464 176.600 -0.068 0.000 0.991 456 E CA 1.051 57.417 56.400 -0.057 0.000 0.799 456 E CB 0.108 29.779 29.700 -0.049 0.000 0.748 456 E HN -0.031 nan 8.360 nan 0.000 0.449 457 R N 0.270 120.717 120.500 -0.089 0.000 2.092 457 R HA 0.011 4.351 4.340 -0.001 0.000 0.231 457 R C 2.372 178.618 176.300 -0.090 0.000 1.119 457 R CA 0.866 56.914 56.100 -0.087 0.000 0.970 457 R CB -0.468 29.772 30.300 -0.101 0.000 0.864 457 R HN 0.277 nan 8.270 nan 0.000 0.440 458 L N -0.073 121.087 121.223 -0.105 0.000 2.093 458 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 458 L C 2.347 179.159 176.870 -0.096 0.000 1.085 458 L CA 1.413 56.192 54.840 -0.101 0.000 0.755 458 L CB -0.396 41.598 42.059 -0.109 0.000 0.904 458 L HN 0.301 nan 8.230 nan 0.000 0.435 459 E N 0.191 120.338 120.200 -0.088 0.000 2.106 459 E HA -0.293 4.056 4.350 -0.001 0.000 0.192 459 E C 2.204 178.739 176.600 -0.109 0.000 0.984 459 E CA 1.158 57.501 56.400 -0.096 0.000 0.806 459 E CB 0.009 29.674 29.700 -0.060 0.000 0.750 459 E HN 0.436 nan 8.360 nan 0.000 0.458 460 Q N 0.085 119.838 119.800 -0.079 0.000 2.050 460 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 460 Q C 2.087 178.040 176.000 -0.077 0.000 0.980 460 Q CA 1.653 57.416 55.803 -0.067 0.000 0.840 460 Q CB -0.230 28.480 28.738 -0.046 0.000 0.898 460 Q HN 0.353 nan 8.270 nan 0.000 0.424 461 A N 1.110 123.882 122.820 -0.079 0.000 1.877 461 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 461 A C 2.097 179.624 177.584 -0.095 0.000 1.186 461 A CA 1.431 53.423 52.037 -0.075 0.000 0.620 461 A CB -0.507 18.450 19.000 -0.070 0.000 0.822 461 A HN 0.381 nan 8.150 nan 0.000 0.443 462 R N -0.779 119.646 120.500 -0.126 0.000 2.096 462 R HA -0.099 4.240 4.340 -0.001 0.000 0.235 462 R C 2.429 178.587 176.300 -0.236 0.000 1.127 462 R CA 1.623 57.624 56.100 -0.165 0.000 0.968 462 R CB -0.273 29.916 30.300 -0.185 0.000 0.861 462 R HN 0.488 nan 8.270 nan 0.000 0.440 463 R N 0.213 120.544 120.500 -0.281 0.000 2.090 463 R HA -0.054 4.285 4.340 -0.001 0.000 0.228 463 R C 2.075 178.314 176.300 -0.102 0.000 1.110 463 R CA 0.843 56.709 56.100 -0.389 0.000 0.973 463 R CB 0.047 30.146 30.300 -0.335 0.000 0.869 463 R HN 0.188 nan 8.270 nan 0.000 0.440 464 E N 0.836 121.012 120.200 -0.040 0.000 2.072 464 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 464 E C 1.971 178.607 176.600 0.060 0.000 0.985 464 E CA 0.773 57.194 56.400 0.035 0.000 0.801 464 E CB -0.223 29.488 29.700 0.018 0.000 0.750 464 E HN 0.148 nan 8.360 nan 0.000 0.452 465 L N 1.248 122.477 121.223 0.009 0.000 2.056 465 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 465 L C 2.166 179.083 176.870 0.079 0.000 1.078 465 L CA 1.580 56.444 54.840 0.040 0.000 0.749 465 L CB -0.591 41.458 42.059 -0.018 0.000 0.901 465 L HN -0.098 nan 8.230 nan 0.000 0.433 466 S N -0.379 115.332 115.700 0.017 0.000 2.368 466 S HA -0.183 4.287 4.470 -0.001 0.000 0.225 466 S C 1.842 176.579 174.600 0.227 0.000 1.030 466 S CA 1.556 59.796 58.200 0.067 0.000 0.999 466 S CB -0.600 62.536 63.200 -0.107 0.000 0.844 466 S HN 0.472 nan 8.310 nan 0.000 0.459 467 L N 0.733 122.131 121.223 0.293 0.000 2.042 467 L HA -0.034 4.305 4.340 -0.001 0.000 0.210 467 L C 1.860 178.830 176.870 0.167 0.000 1.076 467 L CA 1.675 56.683 54.840 0.279 0.000 0.749 467 L CB -0.657 41.541 42.059 0.231 0.000 0.893 467 L HN 0.289 nan 8.230 nan 0.000 0.432 468 F N -0.270 119.654 119.950 -0.044 0.000 2.451 468 F HA -0.122 4.404 4.527 -0.001 0.000 0.299 468 F C 2.194 177.919 175.800 -0.124 0.000 1.101 468 F CA 0.847 58.716 58.000 -0.218 0.000 1.436 468 F CB -0.230 38.680 39.000 -0.151 0.000 1.074 468 F HN 0.253 nan 8.300 nan 0.000 0.553 469 Q N -0.408 119.356 119.800 -0.060 0.000 2.437 469 Q HA -0.152 4.188 4.340 -0.001 0.000 0.210 469 Q C 0.574 176.516 176.000 -0.097 0.000 0.972 469 Q CA 0.510 56.259 55.803 -0.090 0.000 0.903 469 Q CB -1.309 27.443 28.738 0.025 0.000 0.967 469 Q HN 0.503 nan 8.270 nan 0.000 0.486 470 H N 1.969 120.925 119.070 -0.191 0.000 3.073 470 H HA -0.119 4.437 4.556 -0.001 0.000 0.340 470 H C 1.293 176.461 175.328 -0.267 0.000 1.054 470 H CA 0.773 56.701 56.048 -0.201 0.000 1.372 470 H CB 0.542 30.202 29.762 -0.170 0.000 1.314 470 H HN 0.247 nan 8.280 nan 0.000 0.603 471 H N 2.049 120.722 119.070 -0.662 0.000 2.562 471 H HA 0.002 4.558 4.556 -0.001 0.000 0.272 471 H C -0.341 174.547 175.328 -0.733 0.000 1.019 471 H CA 0.671 56.283 56.048 -0.727 0.000 1.160 471 H CB 0.295 29.625 29.762 -0.719 0.000 1.334 471 H HN 0.606 nan 8.280 nan 0.000 0.611 472 D N 0.378 120.049 120.400 -1.216 0.000 2.503 472 D HA 0.127 4.766 4.640 -0.001 0.000 0.218 472 D C 1.590 177.855 176.300 -0.059 0.000 1.183 472 D CA 0.281 54.112 54.000 -0.282 0.000 0.827 472 D CB 0.877 41.752 40.800 0.125 0.000 1.034 472 D HN 0.531 nan 8.370 nan 0.000 0.510 473 G N 1.267 109.826 108.800 -0.400 0.000 2.600 473 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.225 473 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.225 473 G C 1.343 175.670 174.900 -0.955 0.000 1.623 473 G CA -0.202 44.420 45.100 -0.797 0.000 0.903 473 G HN 0.201 nan 8.290 nan 0.000 0.574 474 I N 2.012 121.746 120.570 -1.392 0.000 2.530 474 I HA -0.170 3.999 4.170 -0.001 0.000 0.257 474 I C 2.865 178.893 176.117 -0.149 0.000 1.179 474 I CA 2.046 62.840 61.300 -0.844 0.000 1.440 474 I CB -0.037 37.628 38.000 -0.557 0.000 1.087 474 I HN 0.374 nan 8.210 nan 0.000 0.440 475 T N -1.706 112.808 114.554 -0.068 0.000 3.007 475 T HA 0.027 4.377 4.350 -0.001 0.000 0.270 475 T C 1.557 176.402 174.700 0.241 0.000 1.107 475 T CA 0.632 62.878 62.100 0.243 0.000 1.118 475 T CB -0.513 68.492 68.868 0.228 0.000 0.889 475 T HN 0.631 nan 8.240 nan 0.000 0.506 476 G N 1.450 110.349 108.800 0.165 0.000 2.176 476 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.252 476 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.252 476 G C 0.555 175.527 174.900 0.121 0.000 1.024 476 G CA 0.650 45.868 45.100 0.196 0.000 0.755 476 G HN 1.148 nan 8.290 nan 0.000 0.507 477 T N -3.392 111.225 114.554 0.105 0.000 3.215 477 T HA 0.740 5.090 4.350 -0.001 0.000 0.271 477 T C 0.847 175.739 174.700 0.320 0.000 1.012 477 T CA 1.025 63.116 62.100 -0.016 0.000 0.899 477 T CB 0.987 69.667 68.868 -0.312 0.000 1.089 477 T HN 1.563 nan 8.240 nan 0.000 0.552 478 A N 1.259 124.286 122.820 0.346 0.000 2.269 478 A HA 0.699 5.019 4.320 -0.001 0.000 0.327 478 A C 0.184 177.875 177.584 0.179 0.000 1.112 478 A CA -0.956 51.320 52.037 0.399 0.000 0.865 478 A CB 0.902 20.173 19.000 0.452 0.000 1.227 478 A HN 0.387 nan 8.150 nan 0.000 0.498 479 K N -0.227 120.211 120.400 0.063 0.000 2.276 479 K HA 0.145 4.465 4.320 -0.001 0.000 0.259 479 K C 1.083 177.703 176.600 0.033 0.000 1.001 479 K CA 0.369 56.674 56.287 0.030 0.000 0.927 479 K CB 0.350 32.860 32.500 0.017 0.000 0.969 479 K HN 0.737 nan 8.250 nan 0.000 0.490 480 T N 1.315 115.915 114.554 0.077 0.000 2.665 480 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 480 T C 1.664 176.405 174.700 0.067 0.000 1.035 480 T CA 1.845 63.991 62.100 0.078 0.000 1.151 480 T CB -0.419 68.502 68.868 0.089 0.000 0.862 480 T HN 0.687 nan 8.240 nan 0.000 0.438 481 H N 0.589 119.657 119.070 -0.004 0.000 2.491 481 H HA 0.105 4.660 4.556 -0.001 0.000 0.290 481 H C 2.016 177.321 175.328 -0.039 0.000 1.050 481 H CA 0.809 56.847 56.048 -0.016 0.000 1.309 481 H CB -0.806 28.941 29.762 -0.024 0.000 1.392 481 H HN 0.276 nan 8.280 nan 0.000 0.554 482 V N 1.129 120.703 119.914 -0.566 0.000 2.407 482 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 482 V C 3.024 178.938 176.094 -0.299 0.000 1.041 482 V CA 1.092 63.086 62.300 -0.510 0.000 1.040 482 V CB -0.445 31.134 31.823 -0.408 0.000 0.671 482 V HN 0.236 nan 8.190 nan 0.000 0.455 483 V N 0.023 119.895 119.914 -0.069 0.000 2.332 483 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 483 V C 2.459 178.538 176.094 -0.026 0.000 1.055 483 V CA 1.986 64.303 62.300 0.027 0.000 1.038 483 V CB -0.546 31.250 31.823 -0.045 0.000 0.651 483 V HN 0.415 nan 8.190 nan 0.000 0.450 484 V N 0.396 120.301 119.914 -0.015 0.000 2.343 484 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 484 V C 2.305 178.419 176.094 0.034 0.000 1.051 484 V CA 2.430 64.753 62.300 0.040 0.000 1.036 484 V CB -0.682 31.174 31.823 0.055 0.000 0.654 484 V HN 0.659 nan 8.190 nan 0.000 0.451 485 D N -0.954 119.420 120.400 -0.042 0.000 2.097 485 D HA -0.210 4.429 4.640 -0.001 0.000 0.195 485 D C 2.003 178.320 176.300 0.028 0.000 0.989 485 D CA 1.680 55.653 54.000 -0.045 0.000 0.827 485 D CB -0.256 40.456 40.800 -0.146 0.000 0.966 485 D HN 0.595 nan 8.370 nan 0.000 0.456 486 Y N 0.427 120.772 120.300 0.075 0.000 2.181 486 Y HA -0.140 4.409 4.550 -0.001 0.000 0.288 486 Y C 2.571 178.459 175.900 -0.021 0.000 1.146 486 Y CA 1.151 59.295 58.100 0.074 0.000 1.164 486 Y CB -0.158 38.420 38.460 0.196 0.000 0.982 486 Y HN 0.090 nan 8.280 nan 0.000 0.515 487 E N 0.512 120.824 120.200 0.187 0.000 2.077 487 E HA -0.265 4.084 4.350 -0.001 0.000 0.193 487 E C 2.004 178.692 176.600 0.148 0.000 0.989 487 E CA 1.397 57.923 56.400 0.211 0.000 0.800 487 E CB -0.056 29.849 29.700 0.341 0.000 0.746 487 E HN 0.567 nan 8.360 nan 0.000 0.452 488 Q N -0.096 119.775 119.800 0.119 0.000 2.084 488 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 488 Q C 2.339 178.382 176.000 0.072 0.000 0.978 488 Q CA 1.302 57.157 55.803 0.088 0.000 0.844 488 Q CB -0.075 28.705 28.738 0.070 0.000 0.898 488 Q HN 0.199 nan 8.270 nan 0.000 0.426 489 R N 0.077 120.625 120.500 0.080 0.000 2.081 489 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 489 R C 2.265 178.588 176.300 0.038 0.000 1.131 489 R CA 1.396 57.535 56.100 0.066 0.000 0.960 489 R CB -0.144 30.220 30.300 0.106 0.000 0.856 489 R HN 0.293 nan 8.270 nan 0.000 0.436 490 M N -0.067 119.546 119.600 0.022 0.000 2.229 490 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 490 M C 2.278 178.577 176.300 -0.000 0.000 1.063 490 M CA 1.319 56.601 55.300 -0.029 0.000 1.114 490 M CB -0.106 32.419 32.600 -0.125 0.000 1.387 490 M HN 0.040 nan 8.290 nan 0.000 0.420 491 Q N 0.942 120.771 119.800 0.048 0.000 2.084 491 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 491 Q C 1.740 177.755 176.000 0.024 0.000 0.978 491 Q CA 1.608 57.450 55.803 0.064 0.000 0.844 491 Q CB -0.061 28.732 28.738 0.093 0.000 0.898 491 Q HN 0.316 nan 8.270 nan 0.000 0.426 492 E N -0.142 120.069 120.200 0.019 0.000 2.110 492 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 492 E C 1.825 178.415 176.600 -0.017 0.000 0.988 492 E CA 1.170 57.571 56.400 0.002 0.000 0.804 492 E CB -0.466 29.238 29.700 0.007 0.000 0.745 492 E HN 0.464 nan 8.360 nan 0.000 0.458 493 A N 1.101 123.909 122.820 -0.020 0.000 1.902 493 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 493 A C 2.402 179.955 177.584 -0.052 0.000 1.181 493 A CA 1.049 53.063 52.037 -0.037 0.000 0.623 493 A CB -0.707 18.270 19.000 -0.038 0.000 0.818 493 A HN 0.188 nan 8.150 nan 0.000 0.443 494 L N -0.670 120.520 121.223 -0.055 0.000 2.046 494 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 494 L C 2.586 179.387 176.870 -0.115 0.000 1.077 494 L CA 1.772 56.553 54.840 -0.098 0.000 0.747 494 L CB -0.404 41.605 42.059 -0.082 0.000 0.896 494 L HN 0.364 nan 8.230 nan 0.000 0.432 495 K N -0.143 120.214 120.400 -0.071 0.000 2.097 495 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 495 K C 2.235 178.795 176.600 -0.066 0.000 1.049 495 K CA 1.264 57.510 56.287 -0.067 0.000 0.933 495 K CB -0.245 32.230 32.500 -0.042 0.000 0.717 495 K HN 0.289 nan 8.250 nan 0.000 0.442 496 A N 1.134 123.918 122.820 -0.060 0.000 1.902 496 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 496 A C 2.423 179.966 177.584 -0.069 0.000 1.181 496 A CA 1.464 53.464 52.037 -0.061 0.000 0.623 496 A CB -0.981 17.984 19.000 -0.059 0.000 0.818 496 A HN 0.403 nan 8.150 nan 0.000 0.443 497 C N -0.984 118.273 119.300 -0.072 0.000 2.429 497 C HA -0.124 4.335 4.460 -0.001 0.000 0.277 497 C C 2.860 177.819 174.990 -0.052 0.000 1.262 497 C CA 1.256 60.239 59.018 -0.058 0.000 1.733 497 C CB -1.302 26.414 27.740 -0.039 0.000 2.010 497 C HN 0.791 nan 8.230 nan 0.000 0.483 498 Q N 0.266 120.006 119.800 -0.100 0.000 2.061 498 Q HA -0.283 4.056 4.340 -0.001 0.000 0.204 498 Q C 2.177 178.190 176.000 0.021 0.000 0.984 498 Q CA 2.059 57.824 55.803 -0.063 0.000 0.846 498 Q CB -0.274 28.395 28.738 -0.115 0.000 0.902 498 Q HN 0.578 nan 8.270 nan 0.000 0.421 499 M N -0.121 119.471 119.600 -0.013 0.000 2.080 499 M HA -0.140 4.339 4.480 -0.001 0.000 0.260 499 M C 1.870 178.171 176.300 0.001 0.000 1.068 499 M CA 1.578 56.879 55.300 0.002 0.000 1.109 499 M CB -0.517 32.066 32.600 -0.028 0.000 1.342 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.188 120.068 119.914 -0.057 0.000 2.343 500 V HA -0.305 3.815 4.120 -0.001 0.000 0.247 500 V C 2.441 178.501 176.094 -0.056 0.000 1.051 500 V CA 2.202 64.422 62.300 -0.134 0.000 1.036 500 V CB -0.699 31.022 31.823 -0.170 0.000 0.654 500 V HN 0.556 nan 8.190 nan 0.000 0.451 501 M N 0.227 119.854 119.600 0.044 0.000 2.086 501 M HA -0.260 4.220 4.480 -0.001 0.000 0.261 501 M C 2.378 178.751 176.300 0.121 0.000 1.067 501 M CA 2.412 57.793 55.300 0.135 0.000 1.116 501 M CB -0.466 32.340 32.600 0.343 0.000 1.348 501 M HN 0.547 nan 8.290 nan 0.000 0.407 502 Q N -0.230 119.713 119.800 0.240 0.000 2.123 502 Q HA -0.125 4.214 4.340 -0.001 0.000 0.199 502 Q C 1.803 177.985 176.000 0.303 0.000 0.966 502 Q CA 1.152 57.115 55.803 0.268 0.000 0.845 502 Q CB -0.617 28.375 28.738 0.424 0.000 0.907 502 Q HN 0.409 nan 8.270 nan 0.000 0.439 503 Q N 0.567 120.531 119.800 0.273 0.000 2.124 503 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 503 Q C 2.260 178.505 176.000 0.408 0.000 0.977 503 Q CA 1.730 57.765 55.803 0.388 0.000 0.850 503 Q CB -0.220 28.656 28.738 0.230 0.000 0.901 503 Q HN 0.514 nan 8.270 nan 0.000 0.429 504 S N 0.329 116.163 115.700 0.222 0.000 2.368 504 S HA -0.083 4.387 4.470 -0.001 0.000 0.224 504 S C 2.212 176.855 174.600 0.072 0.000 1.029 504 S CA 0.974 59.353 58.200 0.297 0.000 0.988 504 S CB -0.184 63.123 63.200 0.178 0.000 0.838 504 S HN 0.128 nan 8.310 nan 0.000 0.462 505 V N 0.859 120.690 119.914 -0.139 0.000 2.295 505 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 505 V C 2.017 178.074 176.094 -0.062 0.000 1.049 505 V CA 1.854 63.941 62.300 -0.355 0.000 1.024 505 V CB -0.773 30.427 31.823 -1.039 0.000 0.648 505 V HN 0.545 nan 8.190 nan 0.000 0.447 506 Y N 1.292 121.633 120.300 0.069 0.000 2.165 506 Y HA -0.255 4.294 4.550 -0.001 0.000 0.286 506 Y C 2.731 178.697 175.900 0.111 0.000 1.155 506 Y CA 2.213 60.442 58.100 0.216 0.000 1.164 506 Y CB -0.368 38.137 38.460 0.074 0.000 0.978 506 Y HN 0.101 nan 8.280 nan 0.000 0.513 507 R N -0.219 120.170 120.500 -0.185 0.000 2.090 507 R HA -0.083 4.257 4.340 -0.001 0.000 0.228 507 R C 2.130 178.120 176.300 -0.518 0.000 1.110 507 R CA 1.461 57.105 56.100 -0.761 0.000 0.973 507 R CB -0.337 29.501 30.300 -0.770 0.000 0.869 507 R HN 0.444 nan 8.270 nan 0.000 0.440 508 L N 0.241 121.302 121.223 -0.269 0.000 2.291 508 L HA -0.043 4.296 4.340 -0.001 0.000 0.214 508 L C 1.373 178.129 176.870 -0.190 0.000 1.120 508 L CA 0.722 55.372 54.840 -0.318 0.000 0.799 508 L CB 0.157 41.862 42.059 -0.589 0.000 0.925 508 L HN 0.231 nan 8.230 nan 0.000 0.446 509 L N -1.341 119.866 121.223 -0.027 0.000 3.014 509 L HA 0.224 4.563 4.340 -0.001 0.000 0.263 509 L C -0.173 176.784 176.870 0.144 0.000 1.207 509 L CA -0.089 54.830 54.840 0.132 0.000 1.017 509 L CB 0.553 42.836 42.059 0.373 0.000 1.360 509 L HN -0.005 nan 8.230 nan 0.000 0.560 510 T N 0.070 114.626 114.554 0.004 0.000 2.829 510 T HA 0.195 4.545 4.350 -0.001 0.000 0.280 510 T C -0.161 174.479 174.700 -0.099 0.000 0.999 510 T CA -0.565 61.529 62.100 -0.009 0.000 0.983 510 T CB 2.467 71.301 68.868 -0.057 0.000 0.968 510 T HN 0.010 nan 8.240 nan 0.000 0.446 511 K N 3.499 123.856 120.400 -0.073 0.000 2.511 511 K HA 0.002 4.321 4.320 -0.001 0.000 0.280 511 K C -1.736 174.839 176.600 -0.042 0.000 1.008 511 K CA -1.071 55.179 56.287 -0.061 0.000 1.050 511 K CB 0.438 32.908 32.500 -0.050 0.000 0.889 511 K HN 0.167 nan 8.250 nan 0.000 0.484 512 P HA -0.177 nan 4.420 nan 0.000 0.218 512 P C 0.752 178.071 177.300 0.032 0.000 1.148 512 P CA 1.354 64.434 63.100 -0.033 0.000 0.822 512 P CB 0.170 31.839 31.700 -0.050 0.000 0.784 513 S N -2.155 113.554 115.700 0.014 0.000 2.561 513 S HA 0.047 4.517 4.470 -0.001 0.000 0.225 513 S C 1.662 176.279 174.600 0.029 0.000 0.977 513 S CA 0.531 58.743 58.200 0.020 0.000 0.926 513 S CB -1.093 62.110 63.200 0.005 0.000 0.769 513 S HN 0.106 nan 8.310 nan 0.000 0.533 514 I N -0.769 119.827 120.570 0.044 0.000 3.616 514 I HA 0.209 4.378 4.170 -0.001 0.000 0.296 514 I C 0.566 176.740 176.117 0.095 0.000 1.226 514 I CA -0.407 60.927 61.300 0.057 0.000 1.394 514 I CB -0.040 37.991 38.000 0.050 0.000 1.171 514 I HN 0.253 nan 8.210 nan 0.000 0.442 515 Y N 2.794 123.052 120.300 -0.070 0.000 2.865 515 Y HA -0.066 4.483 4.550 -0.001 0.000 0.338 515 Y C 0.417 176.301 175.900 -0.027 0.000 1.269 515 Y CA 0.087 58.104 58.100 -0.139 0.000 1.585 515 Y CB 0.360 38.668 38.460 -0.254 0.000 1.224 515 Y HN -0.120 nan 8.280 nan 0.000 0.554 516 S N 8.919 124.442 115.700 -0.294 0.000 2.279 516 S HA 0.358 4.827 4.470 -0.001 0.000 0.176 516 S C -2.839 171.580 174.600 -0.301 0.000 1.554 516 S CA -1.212 56.816 58.200 -0.288 0.000 1.242 516 S CB -0.004 63.145 63.200 -0.085 0.000 1.163 516 S HN 0.661 nan 8.310 nan 0.000 0.449 517 P HA 0.357 nan 4.420 nan 0.000 0.279 517 P C -1.231 175.812 177.300 -0.428 0.000 1.239 517 P CA -0.212 62.647 63.100 -0.401 0.000 0.789 517 P CB 0.953 32.326 31.700 -0.545 0.000 0.933 518 D N 2.234 122.566 120.400 -0.113 0.000 2.414 518 D HA 0.168 4.807 4.640 -0.001 0.000 0.232 518 D C 0.162 176.491 176.300 0.047 0.000 1.070 518 D CA -0.713 53.207 54.000 -0.134 0.000 0.839 518 D CB 0.348 41.112 40.800 -0.060 0.000 1.079 518 D HN 0.039 nan 8.370 nan 0.000 0.521 519 F N 1.678 121.743 119.950 0.192 0.000 2.771 519 F HA -0.031 4.496 4.527 -0.001 0.000 0.299 519 F C 2.355 178.229 175.800 0.123 0.000 1.177 519 F CA 0.493 58.605 58.000 0.187 0.000 1.450 519 F CB -0.386 38.704 39.000 0.150 0.000 1.114 519 F HN 0.362 nan 8.300 nan 0.000 0.587 520 S N -1.888 113.953 115.700 0.235 0.000 2.524 520 S HA 0.128 4.597 4.470 -0.001 0.000 0.215 520 S C 0.315 174.953 174.600 0.063 0.000 0.986 520 S CA -0.404 57.873 58.200 0.127 0.000 0.911 520 S CB -0.615 62.639 63.200 0.090 0.000 0.805 520 S HN 0.095 nan 8.310 nan 0.000 0.501 521 F N 2.919 122.807 119.950 -0.104 0.000 2.375 521 F HA 0.593 5.119 4.527 -0.001 0.000 0.333 521 F C -0.007 175.567 175.800 -0.377 0.000 1.104 521 F CA -0.673 57.132 58.000 -0.325 0.000 1.149 521 F CB 1.524 40.176 39.000 -0.580 0.000 1.190 521 F HN -0.057 nan 8.300 nan 0.000 0.533 522 S N 5.734 120.616 115.700 -1.363 0.000 2.464 522 S HA 0.164 4.633 4.470 -0.001 0.000 0.313 522 S C 0.368 174.314 174.600 -1.090 0.000 1.078 522 S CA -0.338 57.331 58.200 -0.885 0.000 1.096 522 S CB -0.217 62.601 63.200 -0.637 0.000 1.032 522 S HN 0.672 nan 8.310 nan 0.000 0.498 523 Y N 1.595 121.650 120.300 -0.409 0.000 2.314 523 Y HA 0.132 4.682 4.550 -0.001 0.000 0.293 523 Y C 0.329 175.689 175.900 -0.899 0.000 1.129 523 Y CA 0.802 58.563 58.100 -0.566 0.000 1.201 523 Y CB 0.166 38.377 38.460 -0.415 0.000 0.999 523 Y HN 0.488 nan 8.280 nan 0.000 0.541 524 F N -1.407 118.496 119.950 -0.077 0.000 2.613 524 F HA 0.428 4.955 4.527 -0.001 0.000 0.310 524 F C -0.168 175.658 175.800 0.044 0.000 1.085 524 F CA -1.531 56.490 58.000 0.035 0.000 0.945 524 F CB 1.625 40.794 39.000 0.282 0.000 1.298 524 F HN -0.410 nan 8.300 nan 0.000 0.455 525 T N 0.251 114.953 114.554 0.247 0.000 2.855 525 T HA 0.716 5.066 4.350 -0.001 0.000 0.281 525 T C -0.608 174.183 174.700 0.153 0.000 1.007 525 T CA -0.807 61.371 62.100 0.130 0.000 1.009 525 T CB 1.211 70.100 68.868 0.034 0.000 0.983 525 T HN 0.521 nan 8.240 nan 0.000 0.455 526 L N 2.042 123.269 121.223 0.008 0.000 2.439 526 L HA 0.416 4.755 4.340 -0.001 0.000 0.269 526 L C 0.103 176.935 176.870 -0.063 0.000 1.179 526 L CA -0.289 54.460 54.840 -0.152 0.000 0.828 526 L CB 0.696 42.593 42.059 -0.271 0.000 1.106 526 L HN 0.809 nan 8.230 nan 0.000 0.467 527 D N 1.502 121.866 120.400 -0.060 0.000 2.481 527 D HA 0.203 4.843 4.640 -0.001 0.000 0.246 527 D C -1.239 174.997 176.300 -0.107 0.000 1.109 527 D CA -0.385 53.581 54.000 -0.057 0.000 0.845 527 D CB 1.098 41.902 40.800 0.007 0.000 1.160 527 D HN 0.278 nan 8.370 nan 0.000 0.534 528 D N 2.371 122.722 120.400 -0.082 0.000 2.481 528 D HA 0.200 4.839 4.640 -0.001 0.000 0.246 528 D C 0.074 176.321 176.300 -0.089 0.000 1.109 528 D CA -0.458 53.526 54.000 -0.027 0.000 0.845 528 D CB 1.893 42.767 40.800 0.123 0.000 1.160 528 D HN 0.246 nan 8.370 nan 0.000 0.534 529 S N 2.667 118.288 115.700 -0.130 0.000 2.527 529 S HA 0.047 4.516 4.470 -0.001 0.000 0.222 529 S C 1.331 175.887 174.600 -0.073 0.000 0.985 529 S CA 0.427 58.536 58.200 -0.152 0.000 0.921 529 S CB 0.403 63.500 63.200 -0.171 0.000 0.772 529 S HN 0.485 nan 8.310 nan 0.000 0.529 530 R N -0.479 120.014 120.500 -0.012 0.000 2.535 530 R HA 0.223 4.562 4.340 -0.001 0.000 0.323 530 R C -0.726 175.652 176.300 0.130 0.000 0.979 530 R CA -0.109 56.009 56.100 0.029 0.000 1.120 530 R CB 0.800 31.110 30.300 0.018 0.000 1.306 530 R HN 0.333 nan 8.270 nan 0.000 0.540 531 W N 1.351 122.616 121.300 -0.058 0.000 3.211 531 W HA 0.293 4.952 4.660 -0.001 0.000 0.335 531 W C -2.928 173.567 176.519 -0.040 0.000 1.113 531 W CA -1.946 55.365 57.345 -0.056 0.000 1.235 531 W CB 1.819 31.259 29.460 -0.034 0.000 1.365 531 W HN -0.190 nan 8.180 nan 0.000 0.476 532 P HA 0.095 nan 4.420 nan 0.000 0.226 532 P C 0.337 177.262 177.300 -0.625 0.000 1.153 532 P CA 1.710 63.936 63.100 -1.457 0.000 0.777 532 P CB 0.306 31.415 31.700 -0.985 0.000 0.794 533 G N -1.153 107.458 108.800 -0.315 0.000 2.617 533 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.686 533 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.686 533 G C -0.477 174.361 174.900 -0.103 0.000 1.214 533 G CA -0.586 44.421 45.100 -0.154 0.000 0.796 533 G HN 0.055 nan 8.290 nan 0.000 0.654 534 S N 0.166 115.846 115.700 -0.033 0.000 2.537 534 S HA 0.517 4.986 4.470 -0.001 0.000 0.286 534 S C 1.796 176.396 174.600 -0.001 0.000 1.299 534 S CA 2.064 60.278 58.200 0.023 0.000 1.067 534 S CB 0.281 63.534 63.200 0.089 0.000 0.864 534 S HN 2.664 nan 8.310 nan 0.000 0.494 535 G N 2.784 111.583 108.800 -0.001 0.000 2.195 535 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.246 535 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.246 535 G C 0.586 175.461 174.900 -0.041 0.000 0.984 535 G CA 0.321 45.411 45.100 -0.017 0.000 0.633 535 G HN 0.799 nan 8.290 nan 0.000 0.525 536 V N -0.297 119.575 119.914 -0.070 0.000 2.743 536 V HA 0.458 4.578 4.120 -0.001 0.000 0.237 536 V C 0.772 176.805 176.094 -0.100 0.000 1.113 536 V CA 1.742 63.984 62.300 -0.096 0.000 1.141 536 V CB 1.020 32.751 31.823 -0.154 0.000 0.873 536 V HN 0.501 nan 8.190 nan 0.000 0.486 537 E N 0.116 120.247 120.200 -0.115 0.000 2.343 537 E HA 0.189 4.538 4.350 -0.001 0.000 0.278 537 E C -1.752 174.814 176.600 -0.056 0.000 0.910 537 E CA -0.565 55.779 56.400 -0.093 0.000 0.757 537 E CB 1.955 31.572 29.700 -0.138 0.000 1.218 537 E HN 0.221 nan 8.360 nan 0.000 0.435 538 D N 2.867 123.254 120.400 -0.022 0.000 2.441 538 D HA 0.093 4.733 4.640 -0.001 0.000 0.221 538 D C 0.072 176.373 176.300 0.002 0.000 1.156 538 D CA 0.096 54.104 54.000 0.013 0.000 0.896 538 D CB 0.705 41.520 40.800 0.025 0.000 1.028 538 D HN 0.429 nan 8.370 nan 0.000 0.509 539 S N 2.901 118.594 115.700 -0.011 0.000 2.589 539 S HA 0.196 4.666 4.470 -0.001 0.000 0.235 539 S C 0.875 175.467 174.600 -0.013 0.000 1.051 539 S CA -0.482 57.704 58.200 -0.023 0.000 0.978 539 S CB 0.571 63.736 63.200 -0.059 0.000 0.929 539 S HN 0.264 nan 8.310 nan 0.000 0.523 540 R N 2.893 123.390 120.500 -0.005 0.000 2.438 540 R HA 0.411 4.750 4.340 -0.001 0.000 0.287 540 R C 0.085 176.424 176.300 0.064 0.000 1.077 540 R CA 0.258 56.343 56.100 -0.025 0.000 1.034 540 R CB 0.745 30.932 30.300 -0.187 0.000 0.993 540 R HN 0.484 nan 8.270 nan 0.000 0.459 541 T N -0.759 113.832 114.554 0.062 0.000 2.909 541 T HA 0.211 4.560 4.350 -0.001 0.000 0.289 541 T C 0.260 175.067 174.700 0.179 0.000 1.005 541 T CA -0.719 61.443 62.100 0.104 0.000 1.084 541 T CB 1.481 70.394 68.868 0.076 0.000 0.975 541 T HN 0.338 nan 8.240 nan 0.000 0.509 542 T N 3.519 118.187 114.554 0.189 0.000 2.806 542 T HA 0.399 4.748 4.350 -0.001 0.000 0.290 542 T C 0.444 175.251 174.700 0.178 0.000 0.966 542 T CA -0.522 61.713 62.100 0.226 0.000 1.060 542 T CB 0.234 69.194 68.868 0.153 0.000 0.927 542 T HN 0.573 nan 8.240 nan 0.000 0.485 543 I N 3.993 124.687 120.570 0.207 0.000 2.436 543 I HA 0.205 4.375 4.170 -0.001 0.000 0.289 543 I C 0.188 176.392 176.117 0.145 0.000 1.083 543 I CA -0.073 61.328 61.300 0.168 0.000 1.372 543 I CB 0.285 38.389 38.000 0.174 0.000 1.408 543 I HN 0.447 nan 8.210 nan 0.000 0.516 544 I N 8.103 128.743 120.570 0.117 0.000 2.297 544 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 544 I C -0.176 176.002 176.117 0.102 0.000 1.033 544 I CA -0.184 61.176 61.300 0.101 0.000 1.253 544 I CB 0.466 38.513 38.000 0.078 0.000 1.396 544 I HN 0.387 nan 8.210 nan 0.000 0.476 545 L N 5.761 127.048 121.223 0.107 0.000 2.341 545 L HA 0.949 5.288 4.340 -0.001 0.000 0.267 545 L C 0.135 177.063 176.870 0.096 0.000 1.009 545 L CA -0.680 54.223 54.840 0.105 0.000 0.819 545 L CB 2.220 44.348 42.059 0.115 0.000 1.323 545 L HN 0.687 nan 8.230 nan 0.000 0.425 546 G N -0.021 108.832 108.800 0.088 0.000 2.473 546 G HA2 0.123 4.082 3.960 -0.001 0.000 0.298 546 G HA3 0.123 4.082 3.960 -0.001 0.000 0.298 546 G C -0.226 174.717 174.900 0.071 0.000 1.575 546 G CA -0.429 44.720 45.100 0.081 0.000 0.846 546 G HN 0.701 nan 8.290 nan 0.000 0.585 547 E N -0.122 120.117 120.200 0.066 0.000 2.153 547 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 547 E C 0.669 177.297 176.600 0.047 0.000 0.988 547 E CA 1.391 57.824 56.400 0.054 0.000 0.811 547 E CB 0.145 29.875 29.700 0.048 0.000 0.746 547 E HN 0.425 nan 8.360 nan 0.000 0.466 548 D N -0.184 120.244 120.400 0.046 0.000 2.358 548 D HA 0.111 4.751 4.640 -0.001 0.000 0.224 548 D C 1.147 177.472 176.300 0.041 0.000 1.123 548 D CA 0.157 54.181 54.000 0.039 0.000 0.833 548 D CB 0.884 41.704 40.800 0.035 0.000 0.946 548 D HN 0.341 nan 8.370 nan 0.000 0.505 549 I N -0.890 119.709 120.570 0.049 0.000 4.420 549 I HA 0.110 4.279 4.170 -0.001 0.000 0.292 549 I C -1.402 174.751 176.117 0.060 0.000 1.153 549 I CA 0.055 61.385 61.300 0.051 0.000 1.315 549 I CB 1.261 39.291 38.000 0.051 0.000 1.616 549 I HN -0.170 nan 8.210 nan 0.000 0.450 550 L N 2.149 123.413 121.223 0.069 0.000 2.795 550 L HA 0.460 4.800 4.340 -0.001 0.000 0.260 550 L C -2.536 174.387 176.870 0.088 0.000 0.935 550 L CA -0.836 54.053 54.840 0.082 0.000 0.985 550 L CB 1.667 43.781 42.059 0.092 0.000 1.433 550 L HN -0.165 nan 8.230 nan 0.000 0.447 551 P HA 0.067 nan 4.420 nan 0.000 0.224 551 P C -0.143 177.215 177.300 0.096 0.000 1.157 551 P CA 0.823 63.974 63.100 0.084 0.000 0.799 551 P CB 0.441 32.184 31.700 0.071 0.000 0.809 552 S N -2.047 113.722 115.700 0.115 0.000 2.625 552 S HA 0.721 5.190 4.470 -0.001 0.000 0.271 552 S C -1.302 173.408 174.600 0.183 0.000 1.161 552 S CA -0.715 57.564 58.200 0.131 0.000 0.820 552 S CB 2.498 65.770 63.200 0.121 0.000 1.137 552 S HN -0.114 nan 8.310 nan 0.000 0.470 553 K N 0.562 121.082 120.400 0.200 0.000 2.535 553 K HA 0.565 4.884 4.320 -0.001 0.000 0.251 553 K C -2.040 174.751 176.600 0.320 0.000 0.942 553 K CA -0.238 56.213 56.287 0.273 0.000 0.798 553 K CB 0.943 33.559 32.500 0.192 0.000 1.267 553 K HN 0.843 nan 8.250 nan 0.000 0.434 554 H N 0.915 120.139 119.070 0.256 0.000 2.610 554 H HA 0.454 5.009 4.556 -0.001 0.000 0.336 554 H C -0.198 175.370 175.328 0.398 0.000 1.087 554 H CA -0.144 56.104 56.048 0.334 0.000 1.405 554 H CB 0.998 31.049 29.762 0.482 0.000 1.460 554 H HN 0.397 nan 8.280 nan 0.000 0.538 555 V N 1.003 121.179 119.914 0.436 0.000 2.914 555 V HA 0.788 4.907 4.120 -0.001 0.000 0.314 555 V C -0.694 175.740 176.094 0.567 0.000 1.084 555 V CA -0.876 61.678 62.300 0.423 0.000 0.963 555 V CB 2.113 33.929 31.823 -0.012 0.000 1.025 555 V HN 0.457 nan 8.190 nan 0.000 0.432 556 V N 3.691 123.965 119.914 0.601 0.000 2.709 556 V HA 0.640 4.759 4.120 -0.001 0.000 0.308 556 V C -0.509 175.948 176.094 0.605 0.000 1.062 556 V CA -0.379 62.238 62.300 0.528 0.000 0.901 556 V CB 1.880 33.865 31.823 0.270 0.000 1.003 556 V HN 0.939 nan 8.190 nan 0.000 0.425 557 M N 4.020 123.945 119.600 0.542 0.000 2.336 557 M HA 0.494 4.974 4.480 -0.001 0.000 0.342 557 M C -0.512 176.067 176.300 0.466 0.000 1.128 557 M CA -0.310 55.284 55.300 0.491 0.000 1.016 557 M CB 1.201 34.032 32.600 0.384 0.000 1.665 557 M HN 0.755 nan 8.290 nan 0.000 0.445 558 H N 1.988 121.290 119.070 0.387 0.000 2.469 558 H HA 0.488 5.043 4.556 -0.001 0.000 0.342 558 H C -1.342 174.122 175.328 0.228 0.000 1.115 558 H CA -0.570 55.669 56.048 0.317 0.000 1.204 558 H CB 1.192 31.214 29.762 0.433 0.000 1.492 558 H HN 0.649 nan 8.280 nan 0.000 0.499 559 N N 3.094 121.570 118.700 -0.373 0.000 2.569 559 N HA 0.039 4.779 4.740 -0.001 0.000 0.254 559 N C 0.305 175.477 175.510 -0.562 0.000 1.004 559 N CA -0.305 52.529 53.050 -0.359 0.000 0.904 559 N CB 1.616 39.997 38.487 -0.175 0.000 1.165 559 N HN 0.638 nan 8.380 nan 0.000 0.513 560 T N 2.923 117.195 114.554 -0.471 0.000 3.072 560 T HA 0.173 4.522 4.350 -0.001 0.000 0.266 560 T C 0.699 175.358 174.700 -0.068 0.000 1.127 560 T CA 0.466 62.455 62.100 -0.185 0.000 1.107 560 T CB -0.229 68.669 68.868 0.050 0.000 0.910 560 T HN 0.416 nan 8.240 nan 0.000 0.513 561 L N 2.751 123.883 121.223 -0.152 0.000 2.417 561 L HA 0.313 4.652 4.340 -0.001 0.000 0.268 561 L C -1.604 175.127 176.870 -0.232 0.000 1.158 561 L CA -1.909 52.809 54.840 -0.203 0.000 0.819 561 L CB 0.647 42.456 42.059 -0.417 0.000 1.112 561 L HN -0.042 nan 8.230 nan 0.000 0.458 562 P HA 0.058 nan 4.420 nan 0.000 0.235 562 P C -0.975 176.348 177.300 0.038 0.000 1.725 562 P CA 0.306 63.399 63.100 -0.012 0.000 0.894 562 P CB -0.336 31.413 31.700 0.082 0.000 1.704 563 H N -3.190 115.901 119.070 0.034 0.000 3.012 563 H HA 0.238 4.793 4.556 -0.001 0.000 0.367 563 H C -1.035 174.318 175.328 0.042 0.000 1.211 563 H CA -1.059 55.030 56.048 0.068 0.000 1.139 563 H CB -0.018 29.818 29.762 0.123 0.000 1.838 563 H HN -0.130 nan 8.280 nan 0.000 0.550 564 W N 1.762 123.176 121.300 0.189 0.000 2.231 564 W HA 0.223 4.882 4.660 -0.001 0.000 0.341 564 W C 0.898 177.528 176.519 0.185 0.000 1.298 564 W CA 0.490 57.910 57.345 0.125 0.000 1.266 564 W CB 0.444 29.960 29.460 0.092 0.000 1.172 564 W HN 0.527 nan 8.180 nan 0.000 0.568 565 R N 2.277 122.978 120.500 0.336 0.000 2.604 565 R HA 0.285 4.625 4.340 -0.001 0.000 0.281 565 R C -1.106 175.327 176.300 0.222 0.000 1.020 565 R CA -0.666 55.589 56.100 0.258 0.000 0.899 565 R CB 1.400 31.777 30.300 0.130 0.000 1.205 565 R HN 0.502 nan 8.270 nan 0.000 0.450 566 E N 2.447 122.757 120.200 0.183 0.000 2.191 566 E HA 0.257 4.607 4.350 -0.001 0.000 0.274 566 E C -1.229 175.419 176.600 0.081 0.000 0.948 566 E CA -0.760 55.723 56.400 0.139 0.000 0.802 566 E CB 2.353 32.128 29.700 0.126 0.000 1.137 566 E HN 0.400 nan 8.360 nan 0.000 0.397 567 Q N 2.927 122.752 119.800 0.040 0.000 2.386 567 Q HA 0.257 4.596 4.340 -0.001 0.000 0.274 567 Q C -1.529 174.430 176.000 -0.068 0.000 1.011 567 Q CA -0.599 55.199 55.803 -0.010 0.000 0.867 567 Q CB 1.444 30.166 28.738 -0.027 0.000 1.409 567 Q HN 0.545 nan 8.270 nan 0.000 0.395 568 L N 3.200 124.377 121.223 -0.076 0.000 2.416 568 L HA 0.386 4.725 4.340 -0.001 0.000 0.272 568 L C 0.207 176.942 176.870 -0.224 0.000 1.161 568 L CA -0.375 54.381 54.840 -0.139 0.000 0.845 568 L CB 0.674 42.686 42.059 -0.077 0.000 1.119 568 L HN 0.480 nan 8.230 nan 0.000 0.464 569 V N -0.625 119.053 119.914 -0.393 0.000 2.914 569 V HA 0.705 4.825 4.120 -0.001 0.000 0.314 569 V C -0.956 174.867 176.094 -0.451 0.000 1.084 569 V CA -0.858 61.167 62.300 -0.458 0.000 0.963 569 V CB 2.180 33.677 31.823 -0.543 0.000 1.025 569 V HN 0.802 nan 8.190 nan 0.000 0.432 570 D N 1.428 121.554 120.400 -0.456 0.000 2.671 570 D HA 0.632 5.272 4.640 -0.001 0.000 0.232 570 D C -1.414 174.572 176.300 -0.524 0.000 1.114 570 D CA -0.395 53.444 54.000 -0.269 0.000 0.858 570 D CB 2.434 43.171 40.800 -0.105 0.000 1.544 570 D HN 0.447 nan 8.370 nan 0.000 0.471 571 F N -0.069 119.930 119.950 0.082 0.000 2.599 571 F HA 0.351 4.877 4.527 -0.001 0.000 0.311 571 F C -0.598 175.344 175.800 0.237 0.000 1.076 571 F CA -1.025 57.033 58.000 0.097 0.000 0.937 571 F CB 1.609 40.717 39.000 0.181 0.000 1.282 571 F HN 0.155 nan 8.300 nan 0.000 0.460 572 Y N 2.071 122.526 120.300 0.259 0.000 2.304 572 Y HA 0.572 5.122 4.550 -0.001 0.000 0.328 572 Y C 0.171 176.194 175.900 0.205 0.000 1.123 572 Y CA -1.490 56.714 58.100 0.174 0.000 1.218 572 Y CB 0.972 39.488 38.460 0.093 0.000 1.207 572 Y HN 0.340 nan 8.280 nan 0.000 0.495 573 V N -0.456 119.663 119.914 0.342 0.000 2.962 573 V HA 0.564 4.683 4.120 -0.001 0.000 0.313 573 V C 0.331 176.563 176.094 0.230 0.000 1.099 573 V CA -0.774 61.686 62.300 0.266 0.000 0.971 573 V CB 1.708 33.689 31.823 0.263 0.000 1.028 573 V HN 0.670 nan 8.190 nan 0.000 0.430 574 S N 0.230 116.044 115.700 0.191 0.000 2.593 574 S HA 0.266 4.736 4.470 -0.001 0.000 0.217 574 S C 0.650 175.388 174.600 0.229 0.000 0.966 574 S CA 0.476 58.776 58.200 0.167 0.000 0.914 574 S CB -0.257 63.011 63.200 0.114 0.000 0.776 574 S HN 1.445 nan 8.310 nan 0.000 0.523 575 S N 1.227 117.070 115.700 0.237 0.000 2.564 575 S HA 0.587 5.057 4.470 -0.001 0.000 0.274 575 S C -2.617 171.902 174.600 -0.135 0.000 1.124 575 S CA -1.371 56.866 58.200 0.062 0.000 0.869 575 S CB 1.980 65.212 63.200 0.053 0.000 1.105 575 S HN 0.026 nan 8.310 nan 0.000 0.472 576 P HA 0.200 nan 4.420 nan 0.000 0.240 576 P C -0.120 177.028 177.300 -0.253 0.000 1.190 576 P CA 0.301 63.006 63.100 -0.658 0.000 0.781 576 P CB -0.162 30.828 31.700 -1.185 0.000 0.931 577 F N 0.851 120.810 119.950 0.015 0.000 2.467 577 F HA 0.286 4.813 4.527 -0.001 0.000 0.349 577 F C 0.297 176.142 175.800 0.075 0.000 1.182 577 F CA -0.855 57.186 58.000 0.068 0.000 1.279 577 F CB 0.476 39.482 39.000 0.011 0.000 1.626 577 F HN -0.345 nan 8.300 nan 0.000 0.596 578 V N 1.209 121.261 119.914 0.230 0.000 2.709 578 V HA 0.524 4.644 4.120 -0.001 0.000 0.308 578 V C -0.358 175.806 176.094 0.117 0.000 1.062 578 V CA -0.777 61.615 62.300 0.155 0.000 0.901 578 V CB 2.315 34.222 31.823 0.140 0.000 1.003 578 V HN 0.532 nan 8.190 nan 0.000 0.425 579 S N 3.071 118.821 115.700 0.083 0.000 2.600 579 S HA 0.896 5.366 4.470 -0.001 0.000 0.300 579 S C -0.933 173.652 174.600 -0.024 0.000 1.087 579 S CA -0.829 57.398 58.200 0.046 0.000 0.965 579 S CB 2.112 65.356 63.200 0.073 0.000 1.089 579 S HN 0.441 nan 8.310 nan 0.000 0.496 580 V N 1.792 121.654 119.914 -0.087 0.000 2.555 580 V HA 0.813 4.932 4.120 -0.001 0.000 0.302 580 V C 0.058 176.061 176.094 -0.150 0.000 1.038 580 V CA -0.451 61.718 62.300 -0.218 0.000 0.887 580 V CB 1.567 33.069 31.823 -0.535 0.000 0.991 580 V HN 1.212 nan 8.190 nan 0.000 0.434 581 T N -0.505 113.980 114.554 -0.115 0.000 2.896 581 T HA 0.645 4.995 4.350 -0.001 0.000 0.297 581 T C -0.872 173.809 174.700 -0.032 0.000 1.108 581 T CA -0.917 61.139 62.100 -0.073 0.000 1.004 581 T CB 2.066 70.883 68.868 -0.085 0.000 1.159 581 T HN 0.716 nan 8.240 nan 0.000 0.499 582 D N 0.634 120.989 120.400 -0.074 0.000 2.451 582 D HA 0.228 4.868 4.640 -0.001 0.000 0.259 582 D C 0.938 177.106 176.300 -0.220 0.000 1.201 582 D CA -1.158 52.689 54.000 -0.255 0.000 1.028 582 D CB 0.316 40.954 40.800 -0.270 0.000 1.095 582 D HN 0.302 nan 8.370 nan 0.000 0.539 583 L N -0.511 120.564 121.223 -0.246 0.000 2.610 583 L HA 0.220 4.560 4.340 -0.001 0.000 0.232 583 L C 1.835 178.626 176.870 -0.132 0.000 1.149 583 L CA 0.819 55.548 54.840 -0.184 0.000 0.872 583 L CB -0.936 41.017 42.059 -0.176 0.000 0.992 583 L HN 0.651 nan 8.230 nan 0.000 0.447 584 A N -1.429 121.318 122.820 -0.120 0.000 2.307 584 A HA 0.123 4.443 4.320 -0.001 0.000 0.218 584 A C 1.113 178.649 177.584 -0.080 0.000 1.228 584 A CA 0.070 52.054 52.037 -0.088 0.000 0.857 584 A CB -0.386 18.568 19.000 -0.077 0.000 0.897 584 A HN 0.468 nan 8.150 nan 0.000 0.495 585 N N 0.085 118.730 118.700 -0.091 0.000 2.782 585 N HA -0.127 4.613 4.740 -0.001 0.000 0.251 585 N C -1.049 174.416 175.510 -0.076 0.000 1.101 585 N CA 0.625 53.629 53.050 -0.078 0.000 0.764 585 N CB -1.255 37.197 38.487 -0.058 0.000 1.122 585 N HN 0.593 nan 8.380 nan 0.000 0.561 586 N N 1.422 120.073 118.700 -0.082 0.000 2.488 586 N HA 0.285 5.025 4.740 -0.001 0.000 0.274 586 N C -2.408 173.033 175.510 -0.116 0.000 1.111 586 N CA -0.726 52.271 53.050 -0.088 0.000 0.974 586 N CB 0.718 39.163 38.487 -0.069 0.000 1.089 586 N HN 0.123 nan 8.380 nan 0.000 0.465 587 P HA 0.098 nan 4.420 nan 0.000 0.269 587 P C -0.482 176.687 177.300 -0.220 0.000 1.209 587 P CA -0.114 62.806 63.100 -0.299 0.000 0.776 587 P CB 0.773 32.021 31.700 -0.753 0.000 0.876 588 V N 2.181 122.010 119.914 -0.141 0.000 2.540 588 V HA 0.221 4.340 4.120 -0.001 0.000 0.302 588 V C 0.292 176.382 176.094 -0.006 0.000 1.035 588 V CA -0.792 61.484 62.300 -0.040 0.000 0.873 588 V CB 1.557 33.366 31.823 -0.023 0.000 0.992 588 V HN 0.533 nan 8.190 nan 0.000 0.428 589 E N 2.806 123.044 120.200 0.063 0.000 2.384 589 E HA 0.495 4.844 4.350 -0.001 0.000 0.266 589 E C -0.271 176.399 176.600 0.117 0.000 1.012 589 E CA 0.060 56.528 56.400 0.112 0.000 0.901 589 E CB 0.966 30.736 29.700 0.116 0.000 0.967 589 E HN 0.880 nan 8.360 nan 0.000 0.435 590 A N 4.206 127.084 122.820 0.096 0.000 2.527 590 A HA 0.421 4.741 4.320 -0.001 0.000 0.293 590 A C -1.318 176.286 177.584 0.034 0.000 1.117 590 A CA -0.704 51.400 52.037 0.112 0.000 0.723 590 A CB 1.962 21.021 19.000 0.098 0.000 1.313 590 A HN 0.657 nan 8.150 nan 0.000 0.411 591 Q N 0.833 120.659 119.800 0.044 0.000 2.337 591 Q HA 0.648 4.987 4.340 -0.001 0.000 0.270 591 Q C -2.004 173.990 176.000 -0.010 0.000 1.043 591 Q CA -0.540 55.246 55.803 -0.027 0.000 0.794 591 Q CB 2.156 30.915 28.738 0.035 0.000 1.281 591 Q HN 0.577 nan 8.270 nan 0.000 0.446 592 V N 2.648 122.485 119.914 -0.129 0.000 2.483 592 V HA 0.587 4.706 4.120 -0.001 0.000 0.295 592 V C -0.529 175.738 176.094 0.288 0.000 1.035 592 V CA -0.294 62.044 62.300 0.064 0.000 0.896 592 V CB 1.855 33.677 31.823 -0.001 0.000 0.986 592 V HN 0.855 nan 8.190 nan 0.000 0.447 593 S N 5.035 120.943 115.700 0.346 0.000 2.632 593 S HA 0.694 5.163 4.470 -0.001 0.000 0.289 593 S C -2.773 171.911 174.600 0.139 0.000 1.115 593 S CA -1.153 57.239 58.200 0.321 0.000 0.889 593 S CB 2.443 65.775 63.200 0.221 0.000 1.116 593 S HN 0.535 nan 8.310 nan 0.000 0.486 594 P HA 0.294 nan 4.420 nan 0.000 0.274 594 P C -1.177 175.810 177.300 -0.522 0.000 1.256 594 P CA -0.539 62.204 63.100 -0.595 0.000 0.795 594 P CB 0.392 31.335 31.700 -1.261 0.000 1.038 595 V N 1.343 120.873 119.914 -0.640 0.000 2.348 595 V HA 0.214 4.333 4.120 -0.001 0.000 0.270 595 V C -0.614 175.180 176.094 -0.501 0.000 1.037 595 V CA -0.193 61.821 62.300 -0.476 0.000 0.872 595 V CB -0.217 31.243 31.823 -0.605 0.000 1.002 595 V HN 0.513 nan 8.190 nan 0.000 0.464 596 W N 3.503 124.717 121.300 -0.144 0.000 2.478 596 W HA 0.633 5.292 4.660 -0.001 0.000 0.318 596 W C 0.346 176.780 176.519 -0.142 0.000 1.062 596 W CA -0.447 56.794 57.345 -0.174 0.000 1.210 596 W CB 1.894 31.258 29.460 -0.160 0.000 1.325 596 W HN 0.574 nan 8.180 nan 0.000 0.496 597 S N 1.602 117.327 115.700 0.041 0.000 2.521 597 S HA 0.583 5.053 4.470 -0.001 0.000 0.295 597 S C -1.359 173.033 174.600 -0.347 0.000 1.098 597 S CA -0.938 57.219 58.200 -0.072 0.000 0.999 597 S CB 1.062 64.204 63.200 -0.096 0.000 1.034 597 S HN 0.414 nan 8.310 nan 0.000 0.483 598 W N 1.261 122.339 121.300 -0.370 0.000 2.438 598 W HA 0.559 5.219 4.660 -0.001 0.000 0.324 598 W C 0.191 176.316 176.519 -0.656 0.000 1.119 598 W CA -0.116 56.998 57.345 -0.386 0.000 1.221 598 W CB 0.870 30.213 29.460 -0.194 0.000 1.253 598 W HN 0.759 nan 8.180 nan 0.000 0.555 599 H N 0.256 119.342 119.070 0.026 0.000 2.679 599 H HA 0.165 4.721 4.556 -0.001 0.000 0.360 599 H C -0.912 174.423 175.328 0.012 0.000 1.105 599 H CA -1.060 54.960 56.048 -0.046 0.000 1.196 599 H CB 1.524 31.160 29.762 -0.212 0.000 1.636 599 H HN 0.320 nan 8.280 nan 0.000 0.531 600 H N 2.206 121.342 119.070 0.109 0.000 2.846 600 H HA 0.091 4.646 4.556 -0.001 0.000 0.278 600 H C -0.702 174.684 175.328 0.097 0.000 1.117 600 H CA -0.730 55.373 56.048 0.093 0.000 1.406 600 H CB 0.280 30.082 29.762 0.066 0.000 1.445 600 H HN 0.528 nan 8.280 nan 0.000 0.469 601 D N 3.738 124.041 120.400 -0.162 0.000 2.365 601 D HA -0.019 4.620 4.640 -0.001 0.000 0.237 601 D C 0.963 177.047 176.300 -0.361 0.000 1.190 601 D CA 0.087 54.006 54.000 -0.135 0.000 0.867 601 D CB 0.716 41.636 40.800 0.201 0.000 1.050 601 D HN 0.779 nan 8.370 nan 0.000 0.491 602 T N 1.350 115.689 114.554 -0.359 0.000 3.113 602 T HA -0.072 4.277 4.350 -0.001 0.000 0.263 602 T C 1.727 176.366 174.700 -0.101 0.000 1.143 602 T CA 0.189 62.134 62.100 -0.259 0.000 1.090 602 T CB 0.182 68.968 68.868 -0.137 0.000 0.922 602 T HN 0.262 nan 8.240 nan 0.000 0.521 603 L N 2.033 123.214 121.223 -0.069 0.000 2.130 603 L HA 0.122 4.461 4.340 -0.001 0.000 0.200 603 L C 2.998 179.861 176.870 -0.012 0.000 1.075 603 L CA 2.081 56.904 54.840 -0.029 0.000 0.768 603 L CB -1.652 40.395 42.059 -0.021 0.000 0.933 603 L HN 0.541 nan 8.230 nan 0.000 0.451 604 T N -3.781 110.772 114.554 -0.002 0.000 3.088 604 T HA -0.023 4.327 4.350 -0.001 0.000 0.259 604 T C 0.763 175.485 174.700 0.037 0.000 1.122 604 T CA -0.082 62.023 62.100 0.009 0.000 1.095 604 T CB 0.081 68.945 68.868 -0.006 0.000 0.930 604 T HN 0.111 nan 8.240 nan 0.000 0.508 605 K N 2.002 122.426 120.400 0.040 0.000 3.125 605 K HA -0.121 4.198 4.320 -0.001 0.000 0.268 605 K C 0.074 176.782 176.600 0.181 0.000 1.078 605 K CA 1.230 57.587 56.287 0.116 0.000 0.775 605 K CB -2.897 29.665 32.500 0.102 0.000 1.253 605 K HN 0.880 nan 8.250 nan 0.000 0.486 606 T N -2.813 111.865 114.554 0.207 0.000 2.896 606 T HA 0.802 5.151 4.350 -0.001 0.000 0.297 606 T C 0.176 175.112 174.700 0.393 0.000 1.108 606 T CA -1.046 61.211 62.100 0.261 0.000 1.004 606 T CB 2.289 71.274 68.868 0.195 0.000 1.159 606 T HN 0.140 nan 8.240 nan 0.000 0.499 607 I N 3.122 123.915 120.570 0.372 0.000 2.355 607 I HA 0.527 4.696 4.170 -0.001 0.000 0.288 607 I C -0.311 176.102 176.117 0.494 0.000 0.999 607 I CA -0.667 60.866 61.300 0.389 0.000 1.163 607 I CB 0.680 38.848 38.000 0.281 0.000 1.316 607 I HN 0.940 nan 8.210 nan 0.000 0.454 608 H N 5.922 125.167 119.070 0.292 0.000 3.016 608 H HA 0.670 5.225 4.556 -0.001 0.000 0.362 608 H C -3.174 171.949 175.328 -0.342 0.000 1.233 608 H CA -2.313 53.738 56.048 0.004 0.000 1.124 608 H CB 1.862 31.627 29.762 0.006 0.000 1.850 608 H HN 0.147 nan 8.280 nan 0.000 0.549 609 P HA 0.222 nan 4.420 nan 0.000 0.290 609 P C -1.070 176.150 177.300 -0.133 0.000 1.275 609 P CA -0.708 61.875 63.100 -0.862 0.000 0.841 609 P CB 1.932 32.743 31.700 -1.482 0.000 1.042 610 Q N 0.819 120.639 119.800 0.033 0.000 2.353 610 Q HA 0.574 4.914 4.340 -0.001 0.000 0.268 610 Q C 0.127 176.213 176.000 0.143 0.000 1.045 610 Q CA -0.588 55.323 55.803 0.181 0.000 0.811 610 Q CB 2.907 31.756 28.738 0.185 0.000 1.305 610 Q HN 0.589 nan 8.270 nan 0.000 0.447 611 G N 0.642 109.409 108.800 -0.055 0.000 2.389 611 G HA2 0.358 4.317 3.960 -0.001 0.000 0.328 611 G HA3 0.358 4.317 3.960 -0.001 0.000 0.328 611 G C -0.483 174.162 174.900 -0.425 0.000 1.133 611 G CA -0.321 44.407 45.100 -0.619 0.000 0.891 611 G HN 0.413 nan 8.290 nan 0.000 0.485 612 S N -0.822 114.564 115.700 -0.523 0.000 2.584 612 S HA 0.386 4.856 4.470 -0.001 0.000 0.273 612 S C 1.466 175.800 174.600 -0.443 0.000 1.311 612 S CA 0.157 58.096 58.200 -0.434 0.000 1.034 612 S CB 0.850 63.735 63.200 -0.524 0.000 0.939 612 S HN 0.886 nan 8.310 nan 0.000 0.513 613 T N -0.238 114.145 114.554 -0.286 0.000 3.092 613 T HA 0.183 4.532 4.350 -0.001 0.000 0.258 613 T C 0.940 175.563 174.700 -0.128 0.000 1.031 613 T CA 0.401 62.404 62.100 -0.160 0.000 0.925 613 T CB -0.218 68.610 68.868 -0.066 0.000 1.036 613 T HN 0.695 nan 8.240 nan 0.000 0.544 614 T N -2.460 111.913 114.554 -0.302 0.000 3.130 614 T HA 0.412 4.761 4.350 -0.001 0.000 0.288 614 T C 0.009 174.502 174.700 -0.345 0.000 0.936 614 T CA -0.524 61.465 62.100 -0.186 0.000 0.897 614 T CB 0.289 69.098 68.868 -0.098 0.000 1.178 614 T HN 0.227 nan 8.240 nan 0.000 0.543 615 K N 0.584 120.543 120.400 -0.735 0.000 2.371 615 K HA 0.705 5.024 4.320 -0.001 0.000 0.251 615 K C -1.896 174.043 176.600 -1.101 0.000 0.934 615 K CA -0.771 55.145 56.287 -0.617 0.000 0.798 615 K CB 2.191 34.381 32.500 -0.516 0.000 1.204 615 K HN 0.142 nan 8.250 nan 0.000 0.427 616 Y N -0.025 120.205 120.300 -0.118 0.000 2.609 616 Y HA 0.451 5.001 4.550 -0.001 0.000 0.342 616 Y C -0.303 175.627 175.900 0.051 0.000 1.058 616 Y CA -1.157 56.907 58.100 -0.060 0.000 1.055 616 Y CB 1.792 40.281 38.460 0.048 0.000 1.292 616 Y HN 0.223 nan 8.280 nan 0.000 0.476 617 R N 1.754 122.403 120.500 0.248 0.000 2.294 617 R HA 0.574 4.913 4.340 -0.001 0.000 0.319 617 R C -1.247 175.230 176.300 0.295 0.000 0.984 617 R CA -0.627 55.658 56.100 0.309 0.000 0.861 617 R CB 1.655 32.110 30.300 0.259 0.000 1.104 617 R HN 0.632 nan 8.270 nan 0.000 0.451 618 I N 4.287 125.049 120.570 0.320 0.000 2.412 618 I HA 0.431 4.600 4.170 -0.001 0.000 0.296 618 I C -1.019 175.284 176.117 0.310 0.000 0.987 618 I CA -0.766 60.713 61.300 0.297 0.000 1.180 618 I CB 1.021 39.210 38.000 0.316 0.000 1.340 618 I HN 0.546 nan 8.210 nan 0.000 0.455 619 I N 8.055 128.777 120.570 0.254 0.000 2.545 619 I HA 0.516 4.685 4.170 -0.001 0.000 0.292 619 I C -1.021 175.249 176.117 0.255 0.000 1.040 619 I CA -0.540 60.857 61.300 0.163 0.000 1.068 619 I CB 1.741 39.797 38.000 0.093 0.000 1.251 619 I HN 0.516 nan 8.210 nan 0.000 0.424 620 F N 2.628 122.601 119.950 0.037 0.000 2.686 620 F HA 0.572 5.099 4.527 -0.001 0.000 0.311 620 F C -1.067 174.715 175.800 -0.029 0.000 1.128 620 F CA -1.281 56.719 58.000 0.001 0.000 0.946 620 F CB 1.340 40.326 39.000 -0.023 0.000 1.336 620 F HN 0.207 nan 8.300 nan 0.000 0.457 621 K N 1.981 122.478 120.400 0.162 0.000 2.285 621 K HA 0.730 5.049 4.320 -0.001 0.000 0.286 621 K C -0.660 175.998 176.600 0.096 0.000 1.072 621 K CA -0.353 55.967 56.287 0.055 0.000 0.913 621 K CB 0.863 33.426 32.500 0.104 0.000 1.067 621 K HN 0.925 nan 8.250 nan 0.000 0.479 622 A N 4.639 127.423 122.820 -0.060 0.000 2.310 622 A HA 0.415 4.734 4.320 -0.001 0.000 0.299 622 A C -0.640 177.081 177.584 0.228 0.000 1.147 622 A CA -0.672 51.400 52.037 0.058 0.000 0.818 622 A CB 0.669 19.660 19.000 -0.014 0.000 1.096 622 A HN 0.877 nan 8.150 nan 0.000 0.495 623 R N 2.015 122.757 120.500 0.403 0.000 2.439 623 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 623 R C -1.893 174.663 176.300 0.427 0.000 0.955 623 R CA -0.239 56.086 56.100 0.374 0.000 0.853 623 R CB 1.373 31.876 30.300 0.339 0.000 1.171 623 R HN 0.505 nan 8.270 nan 0.000 0.449 624 V N 5.995 126.115 119.914 0.343 0.000 2.709 624 V HA 0.477 4.597 4.120 -0.001 0.000 0.308 624 V C -2.287 173.708 176.094 -0.165 0.000 1.062 624 V CA -2.316 60.078 62.300 0.157 0.000 0.901 624 V CB 1.955 33.850 31.823 0.121 0.000 1.003 624 V HN 0.781 nan 8.190 nan 0.000 0.425 625 P HA 0.243 nan 4.420 nan 0.000 0.272 625 P C -2.756 174.060 177.300 -0.807 0.000 1.240 625 P CA -1.493 60.712 63.100 -1.491 0.000 0.791 625 P CB -0.234 30.779 31.700 -1.145 0.000 0.978 626 P HA 0.077 nan 4.420 nan 0.000 0.264 626 P C 0.106 177.364 177.300 -0.070 0.000 1.193 626 P CA 0.602 63.512 63.100 -0.316 0.000 0.763 626 P CB -0.249 31.337 31.700 -0.191 0.000 0.810 627 M N 0.360 119.960 119.600 -0.001 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.571 177.070 176.300 0.331 0.000 0.342 627 M CA 0.995 56.433 55.300 0.229 0.000 0.417 627 M CB -2.039 30.789 32.600 0.380 0.000 1.338 627 M HN 0.592 nan 8.290 nan 0.000 0.920 628 G N -0.243 108.611 108.800 0.090 0.000 3.022 628 G HA2 0.933 4.892 3.960 -0.001 0.000 0.284 628 G HA3 0.933 4.892 3.960 -0.001 0.000 0.284 628 G C -1.336 173.697 174.900 0.221 0.000 1.375 628 G CA -0.977 44.152 45.100 0.048 0.000 0.902 628 G HN 0.178 nan 8.290 nan 0.000 0.538 629 L N -0.509 120.827 121.223 0.189 0.000 2.371 629 L HA 0.813 5.152 4.340 -0.001 0.000 0.262 629 L C -0.228 176.738 176.870 0.159 0.000 1.006 629 L CA -1.053 53.928 54.840 0.235 0.000 0.818 629 L CB 2.471 44.675 42.059 0.241 0.000 1.354 629 L HN 0.764 nan 8.230 nan 0.000 0.415 630 A N 0.703 123.656 122.820 0.222 0.000 2.427 630 A HA 0.794 5.113 4.320 -0.001 0.000 0.298 630 A C -0.818 176.907 177.584 0.235 0.000 1.036 630 A CA -0.441 51.706 52.037 0.183 0.000 0.701 630 A CB 1.738 20.894 19.000 0.260 0.000 1.250 630 A HN 0.555 nan 8.150 nan 0.000 0.412 631 T N 2.094 116.681 114.554 0.054 0.000 2.829 631 T HA 0.660 5.009 4.350 -0.001 0.000 0.282 631 T C -1.058 173.544 174.700 -0.164 0.000 0.990 631 T CA 0.225 62.400 62.100 0.125 0.000 1.028 631 T CB 0.375 69.312 68.868 0.116 0.000 0.951 631 T HN 0.442 nan 8.240 nan 0.000 0.460 632 Y N 0.270 120.648 120.300 0.129 0.000 2.634 632 Y HA 0.675 5.224 4.550 -0.001 0.000 0.340 632 Y C -0.372 175.451 175.900 -0.128 0.000 1.058 632 Y CA -1.155 56.936 58.100 -0.015 0.000 1.081 632 Y CB 1.731 40.200 38.460 0.015 0.000 1.295 632 Y HN 0.310 nan 8.280 nan 0.000 0.487 633 V N 3.022 122.903 119.914 -0.054 0.000 2.588 633 V HA 0.445 4.564 4.120 -0.001 0.000 0.304 633 V C -0.834 175.210 176.094 -0.084 0.000 1.042 633 V CA -0.957 61.257 62.300 -0.144 0.000 0.877 633 V CB 1.814 33.482 31.823 -0.258 0.000 0.996 633 V HN 0.490 nan 8.190 nan 0.000 0.425 634 L N 3.867 125.071 121.223 -0.032 0.000 2.287 634 L HA 0.683 5.022 4.340 -0.001 0.000 0.287 634 L C -0.113 176.780 176.870 0.038 0.000 1.022 634 L CA -0.141 54.692 54.840 -0.011 0.000 0.814 634 L CB 1.790 43.856 42.059 0.013 0.000 1.217 634 L HN 0.601 nan 8.230 nan 0.000 0.420 635 T N 3.666 118.244 114.554 0.040 0.000 2.861 635 T HA 0.477 4.826 4.350 -0.001 0.000 0.287 635 T C -0.246 174.505 174.700 0.085 0.000 1.003 635 T CA -0.388 61.749 62.100 0.062 0.000 0.977 635 T CB 2.435 71.329 68.868 0.043 0.000 0.996 635 T HN 0.385 nan 8.240 nan 0.000 0.448 636 I N 2.992 123.620 120.570 0.097 0.000 2.612 636 I HA 0.545 4.714 4.170 -0.001 0.000 0.295 636 I C 0.198 176.379 176.117 0.108 0.000 1.011 636 I CA 0.055 61.428 61.300 0.121 0.000 1.326 636 I CB 0.809 38.883 38.000 0.123 0.000 1.427 636 I HN 0.817 nan 8.210 nan 0.000 0.537 637 S N 3.627 119.407 115.700 0.134 0.000 2.667 637 S HA 0.311 4.780 4.470 -0.001 0.000 0.292 637 S C 0.144 174.777 174.600 0.056 0.000 1.126 637 S CA -0.619 57.625 58.200 0.073 0.000 0.881 637 S CB 1.573 64.798 63.200 0.041 0.000 1.132 637 S HN 0.734 nan 8.310 nan 0.000 0.492 638 D N 0.089 120.467 120.400 -0.037 0.000 2.355 638 D HA 0.057 4.697 4.640 -0.001 0.000 0.218 638 D C 0.678 176.743 176.300 -0.392 0.000 1.004 638 D CA 0.653 54.597 54.000 -0.093 0.000 0.880 638 D CB -0.104 40.655 40.800 -0.067 0.000 0.911 638 D HN 0.615 nan 8.370 nan 0.000 0.528 639 S N -1.397 113.965 115.700 -0.564 0.000 2.688 639 S HA 0.359 4.828 4.470 -0.001 0.000 0.275 639 S C -0.729 173.412 174.600 -0.765 0.000 1.175 639 S CA -1.172 56.410 58.200 -1.030 0.000 0.818 639 S CB 1.497 64.380 63.200 -0.528 0.000 1.157 639 S HN -0.044 nan 8.310 nan 0.000 0.482 640 K N 1.842 121.896 120.400 -0.578 0.000 2.466 640 K HA 0.189 4.508 4.320 -0.001 0.000 0.278 640 K C -2.434 174.188 176.600 0.036 0.000 1.048 640 K CA -0.546 55.735 56.287 -0.010 0.000 1.088 640 K CB -0.594 31.943 32.500 0.061 0.000 0.884 640 K HN 0.368 nan 8.250 nan 0.000 0.478 641 P HA -0.006 nan 4.420 nan 0.000 0.274 641 P C 0.520 177.847 177.300 0.045 0.000 1.231 641 P CA -0.297 62.856 63.100 0.087 0.000 0.790 641 P CB 0.753 32.530 31.700 0.129 0.000 0.951 642 E N 1.201 121.393 120.200 -0.014 0.000 2.118 642 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 642 E C 0.541 176.963 176.600 -0.298 0.000 0.992 642 E CA 1.160 57.462 56.400 -0.163 0.000 0.804 642 E CB -0.035 29.517 29.700 -0.248 0.000 0.741 642 E HN 0.497 nan 8.360 nan 0.000 0.458 643 H N -0.668 118.414 119.070 0.020 0.000 2.505 643 H HA 0.215 4.771 4.556 -0.001 0.000 0.289 643 H C -0.413 174.912 175.328 -0.005 0.000 1.052 643 H CA 0.210 56.264 56.048 0.010 0.000 1.156 643 H CB 0.701 30.468 29.762 0.007 0.000 1.507 643 H HN -0.042 nan 8.280 nan 0.000 0.548 644 T N 1.408 115.985 114.554 0.040 0.000 2.824 644 T HA 0.317 4.666 4.350 -0.001 0.000 0.282 644 T C 0.271 174.859 174.700 -0.187 0.000 0.993 644 T CA -0.712 61.348 62.100 -0.067 0.000 0.967 644 T CB 2.193 71.017 68.868 -0.072 0.000 0.960 644 T HN 0.266 nan 8.240 nan 0.000 0.441 645 S N 2.253 117.792 115.700 -0.269 0.000 2.718 645 S HA 0.787 5.256 4.470 -0.001 0.000 0.300 645 S C -1.407 172.830 174.600 -0.604 0.000 1.117 645 S CA -0.818 57.233 58.200 -0.248 0.000 1.002 645 S CB 0.889 64.056 63.200 -0.056 0.000 1.092 645 S HN 0.574 nan 8.310 nan 0.000 0.542 646 Y N 0.045 120.350 120.300 0.008 0.000 2.376 646 Y HA 0.655 5.204 4.550 -0.001 0.000 0.340 646 Y C 0.597 176.551 175.900 0.089 0.000 0.965 646 Y CA -0.776 57.316 58.100 -0.014 0.000 1.078 646 Y CB 1.685 40.004 38.460 -0.236 0.000 1.193 646 Y HN 1.034 nan 8.280 nan 0.000 0.452 647 A N 2.051 125.058 122.820 0.311 0.000 2.407 647 A HA 0.532 4.851 4.320 -0.001 0.000 0.248 647 A C 0.063 177.848 177.584 0.335 0.000 1.082 647 A CA -0.330 51.879 52.037 0.287 0.000 0.785 647 A CB 0.128 19.295 19.000 0.279 0.000 1.020 647 A HN 0.700 nan 8.150 nan 0.000 0.489 648 S N 1.169 117.000 115.700 0.220 0.000 2.646 648 S HA 0.465 4.934 4.470 -0.001 0.000 0.276 648 S C -0.132 174.566 174.600 0.162 0.000 1.222 648 S CA -0.748 57.566 58.200 0.191 0.000 1.014 648 S CB 0.570 63.837 63.200 0.112 0.000 0.991 648 S HN 0.744 nan 8.310 nan 0.000 0.533 649 N N 1.009 119.782 118.700 0.122 0.000 2.310 649 N HA 0.470 5.210 4.740 -0.001 0.000 0.292 649 N C -1.862 173.598 175.510 -0.084 0.000 1.049 649 N CA -0.543 52.538 53.050 0.053 0.000 0.849 649 N CB 2.279 40.881 38.487 0.192 0.000 1.532 649 N HN 0.354 nan 8.380 nan 0.000 0.479 650 L N 2.556 123.683 121.223 -0.160 0.000 2.406 650 L HA 0.491 4.830 4.340 -0.001 0.000 0.272 650 L C -1.550 175.158 176.870 -0.271 0.000 0.980 650 L CA -0.584 54.126 54.840 -0.218 0.000 0.831 650 L CB 1.530 43.516 42.059 -0.121 0.000 1.253 650 L HN 0.422 nan 8.230 nan 0.000 0.406 651 L N 6.699 127.705 121.223 -0.363 0.000 2.265 651 L HA 0.476 4.816 4.340 -0.001 0.000 0.289 651 L C -1.250 175.581 176.870 -0.065 0.000 1.033 651 L CA -0.361 54.333 54.840 -0.244 0.000 0.814 651 L CB 1.198 43.105 42.059 -0.253 0.000 1.203 651 L HN 0.684 nan 8.230 nan 0.000 0.423 652 L N 6.926 128.135 121.223 -0.023 0.000 2.276 652 L HA 0.567 4.907 4.340 -0.001 0.000 0.286 652 L C -0.269 176.636 176.870 0.058 0.000 1.024 652 L CA -0.534 54.323 54.840 0.028 0.000 0.826 652 L CB 1.148 43.215 42.059 0.013 0.000 1.211 652 L HN 0.677 nan 8.230 nan 0.000 0.422 653 R N 2.143 122.690 120.500 0.078 0.000 2.753 653 R HA 0.437 4.776 4.340 -0.001 0.000 0.272 653 R C -1.795 174.541 176.300 0.061 0.000 1.034 653 R CA -1.014 55.128 56.100 0.071 0.000 0.869 653 R CB 1.140 31.484 30.300 0.074 0.000 1.264 653 R HN 0.179 nan 8.270 nan 0.000 0.481 654 K N 1.435 121.860 120.400 0.043 0.000 2.154 654 K HA 0.218 4.537 4.320 -0.001 0.000 0.264 654 K C -0.340 176.264 176.600 0.007 0.000 1.008 654 K CA -0.616 55.687 56.287 0.026 0.000 0.937 654 K CB 0.561 33.074 32.500 0.022 0.000 1.002 654 K HN 0.825 nan 8.250 nan 0.000 0.469 655 N N 0.948 119.640 118.700 -0.012 0.000 2.746 655 N HA -0.105 4.634 4.740 -0.001 0.000 0.250 655 N C -2.592 172.876 175.510 -0.071 0.000 1.055 655 N CA 0.111 53.136 53.050 -0.042 0.000 0.699 655 N CB -0.760 37.706 38.487 -0.036 0.000 0.919 655 N HN 0.447 nan 8.380 nan 0.000 0.548 656 P HA 0.322 nan 4.420 nan 0.000 0.276 656 P C -0.332 176.804 177.300 -0.274 0.000 1.244 656 P CA -0.129 62.883 63.100 -0.147 0.000 0.801 656 P CB 1.099 32.703 31.700 -0.160 0.000 1.006 657 T N -2.914 111.474 114.554 -0.278 0.000 2.916 657 T HA 0.478 4.828 4.350 -0.001 0.000 0.292 657 T C 0.219 174.737 174.700 -0.304 0.000 1.064 657 T CA -0.767 61.174 62.100 -0.265 0.000 1.011 657 T CB 0.663 69.443 68.868 -0.147 0.000 1.152 657 T HN 0.478 nan 8.240 nan 0.000 0.510 658 S N 0.773 116.343 115.700 -0.217 0.000 2.573 658 S HA 0.404 4.873 4.470 -0.001 0.000 0.277 658 S C -0.144 174.546 174.600 0.150 0.000 1.346 658 S CA -0.752 57.416 58.200 -0.052 0.000 1.034 658 S CB -0.350 62.837 63.200 -0.022 0.000 0.879 658 S HN 0.695 nan 8.310 nan 0.000 0.528 659 L N 2.409 123.822 121.223 0.318 0.000 2.481 659 L HA 0.371 4.711 4.340 -0.001 0.000 0.255 659 L C -2.343 174.634 176.870 0.179 0.000 1.192 659 L CA -1.623 53.381 54.840 0.273 0.000 0.924 659 L CB 1.517 43.822 42.059 0.409 0.000 1.179 659 L HN 0.586 nan 8.230 nan 0.000 0.491 660 P HA 0.151 nan 4.420 nan 0.000 0.271 660 P C -0.039 177.263 177.300 0.003 0.000 1.218 660 P CA -0.111 63.027 63.100 0.064 0.000 0.780 660 P CB 1.714 33.441 31.700 0.045 0.000 0.901 661 L N 1.143 122.379 121.223 0.022 0.000 3.366 661 L HA 0.277 4.616 4.340 -0.001 0.000 0.304 661 L C 1.431 178.378 176.870 0.127 0.000 1.292 661 L CA -0.086 54.747 54.840 -0.011 0.000 1.012 661 L CB 0.056 42.081 42.059 -0.057 0.000 1.414 661 L HN 0.725 nan 8.230 nan 0.000 0.603 662 G N 1.235 110.088 108.800 0.088 0.000 2.622 662 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.307 662 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.307 662 G C 0.584 175.540 174.900 0.094 0.000 1.226 662 G CA 0.751 45.916 45.100 0.108 0.000 0.997 662 G HN 0.472 nan 8.290 nan 0.000 0.551 663 Q N -0.527 119.308 119.800 0.059 0.000 2.488 663 Q HA 0.132 4.472 4.340 -0.001 0.000 0.211 663 Q C 0.935 176.761 176.000 -0.290 0.000 0.967 663 Q CA 0.433 56.163 55.803 -0.122 0.000 0.926 663 Q CB 0.200 28.775 28.738 -0.272 0.000 0.992 663 Q HN 0.512 nan 8.270 nan 0.000 0.506 664 Y N 4.282 124.392 120.300 -0.317 0.000 2.805 664 Y HA -0.058 4.492 4.550 -0.001 0.000 0.331 664 Y C -1.290 174.469 175.900 -0.236 0.000 1.241 664 Y CA -1.472 56.429 58.100 -0.331 0.000 1.546 664 Y CB 0.790 39.221 38.460 -0.049 0.000 1.248 664 Y HN 0.042 nan 8.280 nan 0.000 0.559 665 P HA -0.069 nan 4.420 nan 0.000 0.237 665 P C -0.638 176.514 177.300 -0.246 0.000 1.178 665 P CA 1.012 63.843 63.100 -0.448 0.000 0.766 665 P CB 0.531 31.860 31.700 -0.619 0.000 0.876 666 E N 0.957 121.058 120.200 -0.165 0.000 2.176 666 E HA 0.238 4.587 4.350 -0.001 0.000 0.267 666 E C -0.513 176.213 176.600 0.210 0.000 0.893 666 E CA -0.587 55.852 56.400 0.065 0.000 0.761 666 E CB 1.286 31.076 29.700 0.150 0.000 1.133 666 E HN 0.019 nan 8.360 nan 0.000 0.409 667 D N 1.257 121.739 120.400 0.137 0.000 2.382 667 D HA 0.096 4.736 4.640 -0.001 0.000 0.245 667 D C 0.175 176.550 176.300 0.125 0.000 1.120 667 D CA -0.267 53.820 54.000 0.145 0.000 0.890 667 D CB 1.169 42.039 40.800 0.115 0.000 1.201 667 D HN 0.033 nan 8.370 nan 0.000 0.433 668 V N 3.487 123.466 119.914 0.109 0.000 2.673 668 V HA -0.018 4.102 4.120 -0.001 0.000 0.303 668 V C 0.834 176.801 176.094 -0.211 0.000 1.046 668 V CA 0.138 62.410 62.300 -0.046 0.000 1.126 668 V CB 0.377 32.158 31.823 -0.069 0.000 0.934 668 V HN 0.310 nan 8.190 nan 0.000 0.487 669 K N 3.448 123.645 120.400 -0.339 0.000 2.123 669 K HA 0.676 4.996 4.320 -0.001 0.000 0.248 669 K C -0.940 175.249 176.600 -0.685 0.000 0.969 669 K CA -0.380 55.736 56.287 -0.285 0.000 0.882 669 K CB 1.699 34.141 32.500 -0.097 0.000 1.080 669 K HN 0.423 nan 8.250 nan 0.000 0.441 670 F N -1.012 118.950 119.950 0.021 0.000 2.588 670 F HA 0.685 5.212 4.527 -0.001 0.000 0.314 670 F C 0.592 176.397 175.800 0.007 0.000 1.069 670 F CA -0.658 57.346 58.000 0.006 0.000 0.931 670 F CB 2.729 41.732 39.000 0.005 0.000 1.260 670 F HN 0.587 nan 8.300 nan 0.000 0.465 671 G N 0.405 109.307 108.800 0.171 0.000 2.601 671 G HA2 0.405 4.364 3.960 -0.001 0.000 0.291 671 G HA3 0.405 4.364 3.960 -0.001 0.000 0.291 671 G C -2.145 172.807 174.900 0.087 0.000 1.456 671 G CA -0.843 44.320 45.100 0.105 0.000 0.804 671 G HN 0.370 nan 8.290 nan 0.000 0.499 672 D N 0.745 121.184 120.400 0.066 0.000 2.362 672 D HA 0.374 5.013 4.640 -0.001 0.000 0.242 672 D C -1.958 174.371 176.300 0.048 0.000 1.132 672 D CA -0.600 53.432 54.000 0.054 0.000 0.907 672 D CB 1.011 41.837 40.800 0.043 0.000 1.195 672 D HN -0.008 nan 8.370 nan 0.000 0.429 673 P HA 0.068 nan 4.420 nan 0.000 0.265 673 P C -0.486 176.841 177.300 0.045 0.000 1.187 673 P CA 0.454 63.582 63.100 0.047 0.000 0.766 673 P CB 0.451 32.181 31.700 0.050 0.000 0.820 674 R N 0.276 120.804 120.500 0.046 0.000 2.712 674 R HA 0.417 4.756 4.340 -0.001 0.000 0.272 674 R C -1.141 175.194 176.300 0.057 0.000 1.032 674 R CA -1.036 55.092 56.100 0.047 0.000 0.874 674 R CB 1.056 31.380 30.300 0.040 0.000 1.256 674 R HN 0.229 nan 8.270 nan 0.000 0.468 675 E N 1.490 121.726 120.200 0.059 0.000 2.398 675 E HA 0.269 4.618 4.350 -0.001 0.000 0.263 675 E C -0.025 176.624 176.600 0.082 0.000 1.046 675 E CA -0.025 56.421 56.400 0.076 0.000 0.908 675 E CB 0.878 30.610 29.700 0.053 0.000 0.963 675 E HN 0.450 nan 8.360 nan 0.000 0.431 676 I N -2.125 118.525 120.570 0.132 0.000 2.994 676 I HA 0.584 4.753 4.170 -0.001 0.000 0.306 676 I C -0.718 175.529 176.117 0.216 0.000 1.195 676 I CA -0.841 60.538 61.300 0.132 0.000 1.001 676 I CB 2.389 40.442 38.000 0.088 0.000 1.244 676 I HN 0.259 nan 8.210 nan 0.000 0.437 677 S N 3.688 119.489 115.700 0.168 0.000 2.536 677 S HA 0.871 5.340 4.470 -0.001 0.000 0.287 677 S C -1.232 173.475 174.600 0.179 0.000 1.101 677 S CA -0.543 57.767 58.200 0.185 0.000 0.950 677 S CB 1.287 64.544 63.200 0.096 0.000 1.056 677 S HN 0.666 nan 8.310 nan 0.000 0.481 678 L N 3.064 124.418 121.223 0.218 0.000 2.424 678 L HA 0.701 5.041 4.340 -0.001 0.000 0.258 678 L C -0.485 176.470 176.870 0.142 0.000 0.995 678 L CA -0.771 54.170 54.840 0.169 0.000 0.821 678 L CB 2.468 44.641 42.059 0.190 0.000 1.383 678 L HN 0.676 nan 8.230 nan 0.000 0.410 679 R N 1.502 122.065 120.500 0.104 0.000 2.522 679 R HA 0.659 4.998 4.340 -0.001 0.000 0.283 679 R C -2.049 174.294 176.300 0.071 0.000 1.074 679 R CA -0.471 55.678 56.100 0.083 0.000 0.925 679 R CB 2.280 32.620 30.300 0.068 0.000 1.205 679 R HN 0.400 nan 8.270 nan 0.000 0.436 680 V N 4.626 124.580 119.914 0.067 0.000 2.435 680 V HA 0.570 4.690 4.120 -0.001 0.000 0.290 680 V C 1.099 177.223 176.094 0.049 0.000 1.030 680 V CA 0.652 62.987 62.300 0.059 0.000 0.881 680 V CB 1.133 32.993 31.823 0.062 0.000 0.983 680 V HN 1.113 nan 8.190 nan 0.000 0.445 681 G N 5.087 113.914 108.800 0.045 0.000 2.596 681 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.295 681 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.295 681 G C 0.455 175.375 174.900 0.033 0.000 1.240 681 G CA 0.610 45.733 45.100 0.038 0.000 0.985 681 G HN 0.692 nan 8.290 nan 0.000 0.555 682 N N 2.319 121.035 118.700 0.027 0.000 2.251 682 N HA 0.284 5.024 4.740 -0.001 0.000 0.217 682 N C 1.136 176.655 175.510 0.016 0.000 1.124 682 N CA 0.896 53.958 53.050 0.020 0.000 0.843 682 N CB 0.482 38.977 38.487 0.014 0.000 1.024 682 N HN 0.814 nan 8.380 nan 0.000 0.501 683 G N 1.729 110.542 108.800 0.022 0.000 2.516 683 G HA2 0.207 4.166 3.960 -0.001 0.000 0.276 683 G HA3 0.207 4.166 3.960 -0.001 0.000 0.276 683 G C -2.314 172.594 174.900 0.015 0.000 1.390 683 G CA -0.595 44.516 45.100 0.019 0.000 1.050 683 G HN 0.007 nan 8.290 nan 0.000 0.519 684 P HA 0.209 nan 4.420 nan 0.000 0.274 684 P C -0.544 176.770 177.300 0.022 0.000 1.246 684 P CA 0.020 63.120 63.100 0.001 0.000 0.795 684 P CB 0.886 32.581 31.700 -0.008 0.000 1.006 685 T N 2.220 116.784 114.554 0.016 0.000 2.767 685 T HA 0.462 4.811 4.350 -0.001 0.000 0.284 685 T C -0.007 174.717 174.700 0.040 0.000 0.973 685 T CA -0.375 61.758 62.100 0.055 0.000 0.996 685 T CB 0.141 69.058 68.868 0.081 0.000 0.927 685 T HN 0.179 nan 8.240 nan 0.000 0.456 686 L N 2.703 123.952 121.223 0.044 0.000 2.329 686 L HA 0.779 5.119 4.340 -0.001 0.000 0.279 686 L C 0.156 176.940 176.870 -0.144 0.000 1.014 686 L CA -1.135 53.646 54.840 -0.099 0.000 0.814 686 L CB 1.570 43.564 42.059 -0.108 0.000 1.257 686 L HN 0.649 nan 8.230 nan 0.000 0.424 687 A N 3.165 125.803 122.820 -0.303 0.000 2.337 687 A HA 0.872 5.192 4.320 -0.001 0.000 0.329 687 A C -1.229 176.061 177.584 -0.490 0.000 1.146 687 A CA -0.318 51.591 52.037 -0.213 0.000 0.800 687 A CB 0.891 19.813 19.000 -0.131 0.000 1.220 687 A HN 0.498 nan 8.150 nan 0.000 0.472 688 F N 0.798 120.741 119.950 -0.011 0.000 2.546 688 F HA 0.530 5.057 4.527 -0.001 0.000 0.320 688 F C 1.086 176.885 175.800 -0.002 0.000 1.076 688 F CA -0.316 57.685 58.000 0.002 0.000 0.928 688 F CB 2.160 41.181 39.000 0.033 0.000 1.189 688 F HN 0.679 nan 8.300 nan 0.000 0.465 689 S N 0.168 115.969 115.700 0.168 0.000 2.617 689 S HA 0.093 4.562 4.470 -0.001 0.000 0.259 689 S C 1.032 175.715 174.600 0.138 0.000 1.301 689 S CA -0.051 58.220 58.200 0.119 0.000 0.984 689 S CB 0.651 63.916 63.200 0.108 0.000 0.954 689 S HN 0.846 nan 8.310 nan 0.000 0.572 690 E N -0.146 120.114 120.200 0.099 0.000 2.409 690 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 690 E C 1.357 178.009 176.600 0.087 0.000 1.024 690 E CA 0.930 57.381 56.400 0.085 0.000 0.861 690 E CB -0.416 29.324 29.700 0.067 0.000 0.788 690 E HN 0.795 nan 8.360 nan 0.000 0.521 691 Q N 0.107 119.968 119.800 0.102 0.000 2.320 691 Q HA 0.161 4.501 4.340 -0.001 0.000 0.201 691 Q C 0.706 176.778 176.000 0.120 0.000 0.910 691 Q CA 0.277 56.139 55.803 0.098 0.000 0.946 691 Q CB 0.802 29.598 28.738 0.096 0.000 1.062 691 Q HN 0.527 nan 8.270 nan 0.000 0.503 692 G N 0.920 109.808 108.800 0.147 0.000 2.136 692 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.242 692 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.242 692 G C -0.191 174.906 174.900 0.329 0.000 0.989 692 G CA -0.137 45.058 45.100 0.157 0.000 0.682 692 G HN 0.250 nan 8.290 nan 0.000 0.522 693 L N -0.080 121.360 121.223 0.362 0.000 2.325 693 L HA 0.675 5.014 4.340 -0.001 0.000 0.278 693 L C 0.795 177.874 176.870 0.349 0.000 1.023 693 L CA -1.392 53.701 54.840 0.421 0.000 0.811 693 L CB 1.598 43.821 42.059 0.273 0.000 1.249 693 L HN 0.133 nan 8.230 nan 0.000 0.431 694 L N 3.402 124.822 121.223 0.329 0.000 2.559 694 L HA -0.055 4.284 4.340 -0.001 0.000 0.282 694 L C 1.038 177.731 176.870 -0.295 0.000 1.232 694 L CA 0.969 55.715 54.840 -0.156 0.000 0.885 694 L CB 0.179 42.224 42.059 -0.023 0.000 1.131 694 L HN 0.802 nan 8.230 nan 0.000 0.498 695 K N 1.268 121.363 120.400 -0.507 0.000 2.511 695 K HA 0.321 4.641 4.320 -0.001 0.000 0.209 695 K C -0.112 176.107 176.600 -0.635 0.000 1.301 695 K CA 0.309 56.060 56.287 -0.894 0.000 0.967 695 K CB 0.451 32.542 32.500 -0.680 0.000 1.109 695 K HN 0.601 nan 8.250 nan 0.000 0.561 696 S N 0.365 115.837 115.700 -0.381 0.000 2.565 696 S HA 0.590 5.059 4.470 -0.001 0.000 0.269 696 S C -1.132 173.370 174.600 -0.163 0.000 1.153 696 S CA -1.002 57.078 58.200 -0.200 0.000 0.835 696 S CB 1.326 64.485 63.200 -0.069 0.000 1.122 696 S HN 0.178 nan 8.310 nan 0.000 0.462 697 I N 1.395 121.904 120.570 -0.101 0.000 2.466 697 I HA 0.462 4.632 4.170 -0.001 0.000 0.289 697 I C -0.609 175.462 176.117 -0.077 0.000 1.026 697 I CA -0.386 60.863 61.300 -0.086 0.000 1.078 697 I CB 2.140 40.081 38.000 -0.098 0.000 1.249 697 I HN 0.734 nan 8.210 nan 0.000 0.429 698 Q N 6.033 125.780 119.800 -0.088 0.000 2.357 698 Q HA 0.419 4.759 4.340 -0.001 0.000 0.266 698 Q C -0.009 175.916 176.000 -0.124 0.000 1.021 698 Q CA -0.528 55.156 55.803 -0.198 0.000 0.784 698 Q CB 1.781 30.273 28.738 -0.409 0.000 1.243 698 Q HN 0.780 nan 8.270 nan 0.000 0.465 699 L N 2.019 123.177 121.223 -0.109 0.000 2.093 699 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 699 L C 1.164 177.997 176.870 -0.061 0.000 1.085 699 L CA 1.318 56.115 54.840 -0.072 0.000 0.755 699 L CB -0.226 41.794 42.059 -0.065 0.000 0.904 699 L HN 0.687 nan 8.230 nan 0.000 0.435 700 T N -6.850 107.660 114.554 -0.074 0.000 2.838 700 T HA 0.205 4.554 4.350 -0.001 0.000 0.292 700 T C 0.550 175.212 174.700 -0.063 0.000 1.113 700 T CA -0.847 61.220 62.100 -0.054 0.000 1.008 700 T CB 1.724 70.566 68.868 -0.043 0.000 1.259 700 T HN -0.174 nan 8.240 nan 0.000 0.520 701 Q N 1.054 120.832 119.800 -0.037 0.000 2.118 701 Q HA -0.197 4.142 4.340 -0.001 0.000 0.211 701 Q C 1.810 177.788 176.000 -0.038 0.000 0.998 701 Q CA 2.680 58.467 55.803 -0.026 0.000 0.872 701 Q CB -0.436 28.297 28.738 -0.008 0.000 0.925 701 Q HN 0.937 nan 8.270 nan 0.000 0.414 702 D N -0.481 119.894 120.400 -0.042 0.000 2.240 702 D HA -0.045 4.594 4.640 -0.001 0.000 0.206 702 D C 0.754 177.013 176.300 -0.068 0.000 0.963 702 D CA 0.579 54.555 54.000 -0.040 0.000 0.863 702 D CB -0.332 40.452 40.800 -0.026 0.000 0.973 702 D HN 0.089 nan 8.370 nan 0.000 0.501 703 S N 1.773 117.418 115.700 -0.092 0.000 2.563 703 S HA 0.133 4.602 4.470 -0.001 0.000 0.269 703 S C -2.204 172.296 174.600 -0.167 0.000 1.364 703 S CA -0.916 57.218 58.200 -0.109 0.000 1.010 703 S CB 0.075 63.212 63.200 -0.104 0.000 0.877 703 S HN 0.051 nan 8.310 nan 0.000 0.549 704 P HA 0.134 nan 4.420 nan 0.000 0.272 704 P C -0.581 176.602 177.300 -0.195 0.000 1.223 704 P CA -0.161 62.877 63.100 -0.102 0.000 0.784 704 P CB 0.190 31.873 31.700 -0.028 0.000 0.923 705 H N 0.658 119.716 119.070 -0.020 0.000 3.004 705 H HA 0.153 4.709 4.556 -0.001 0.000 0.267 705 H C -0.050 175.252 175.328 -0.043 0.000 1.165 705 H CA -0.243 55.783 56.048 -0.037 0.000 1.450 705 H CB 0.005 29.748 29.762 -0.032 0.000 1.488 705 H HN 0.087 nan 8.280 nan 0.000 0.478 706 V N 7.310 127.217 119.914 -0.012 0.000 2.470 706 V HA 0.059 4.178 4.120 -0.001 0.000 0.276 706 V C -1.868 174.191 176.094 -0.057 0.000 1.040 706 V CA -1.505 60.774 62.300 -0.034 0.000 1.008 706 V CB 0.776 32.564 31.823 -0.059 0.000 0.990 706 V HN 0.558 nan 8.190 nan 0.000 0.477 707 P HA 0.186 nan 4.420 nan 0.000 0.266 707 P C -0.835 176.398 177.300 -0.111 0.000 1.215 707 P CA 0.250 63.291 63.100 -0.098 0.000 0.763 707 P CB 0.502 31.983 31.700 -0.365 0.000 0.806 708 V N 5.088 124.966 119.914 -0.060 0.000 2.559 708 V HA 0.220 4.339 4.120 -0.001 0.000 0.289 708 V C -0.819 175.165 176.094 -0.183 0.000 1.036 708 V CA -0.464 61.747 62.300 -0.147 0.000 0.887 708 V CB 1.187 32.877 31.823 -0.222 0.000 1.022 708 V HN 0.520 nan 8.190 nan 0.000 0.442 709 H N 3.839 122.748 119.070 -0.269 0.000 2.539 709 H HA 0.607 5.162 4.556 -0.001 0.000 0.332 709 H C -0.693 174.512 175.328 -0.206 0.000 1.031 709 H CA -0.500 55.439 56.048 -0.182 0.000 1.206 709 H CB 1.371 31.067 29.762 -0.110 0.000 1.446 709 H HN 0.519 nan 8.280 nan 0.000 0.496 710 F N 2.446 122.381 119.950 -0.025 0.000 2.399 710 F HA 0.333 4.859 4.527 -0.001 0.000 0.342 710 F C 0.557 176.273 175.800 -0.140 0.000 1.106 710 F CA -0.017 57.906 58.000 -0.128 0.000 1.196 710 F CB 0.867 39.789 39.000 -0.130 0.000 1.163 710 F HN 0.278 nan 8.300 nan 0.000 0.547 711 K N 3.461 123.848 120.400 -0.021 0.000 2.523 711 K HA 0.453 4.773 4.320 -0.001 0.000 0.257 711 K C -1.956 174.479 176.600 -0.275 0.000 0.932 711 K CA -0.618 55.635 56.287 -0.056 0.000 0.812 711 K CB 1.393 33.887 32.500 -0.009 0.000 1.326 711 K HN 0.424 nan 8.250 nan 0.000 0.433 712 F N 3.911 123.839 119.950 -0.037 0.000 2.436 712 F HA 0.504 5.030 4.527 -0.001 0.000 0.340 712 F C -0.347 175.431 175.800 -0.037 0.000 1.113 712 F CA -0.568 57.404 58.000 -0.047 0.000 1.022 712 F CB 1.184 40.134 39.000 -0.084 0.000 1.128 712 F HN 0.244 nan 8.300 nan 0.000 0.466 713 L N 2.653 123.935 121.223 0.098 0.000 2.322 713 L HA 0.630 4.969 4.340 -0.001 0.000 0.252 713 L C -1.167 175.701 176.870 -0.004 0.000 1.055 713 L CA -1.020 53.821 54.840 0.001 0.000 0.849 713 L CB 2.297 44.293 42.059 -0.106 0.000 1.446 713 L HN 0.481 nan 8.230 nan 0.000 0.416 714 K N -0.295 120.061 120.400 -0.073 0.000 2.427 714 K HA 0.650 4.970 4.320 -0.001 0.000 0.252 714 K C -1.792 174.739 176.600 -0.114 0.000 0.931 714 K CA -0.796 55.478 56.287 -0.022 0.000 0.793 714 K CB 1.769 34.288 32.500 0.031 0.000 1.211 714 K HN 0.277 nan 8.250 nan 0.000 0.426 715 Y N 0.535 120.900 120.300 0.109 0.000 2.387 715 Y HA 0.509 5.058 4.550 -0.001 0.000 0.330 715 Y C 1.011 176.972 175.900 0.101 0.000 1.133 715 Y CA -0.140 58.036 58.100 0.126 0.000 1.152 715 Y CB 2.178 40.784 38.460 0.242 0.000 1.215 715 Y HN 0.909 nan 8.280 nan 0.000 0.466 716 G N 0.541 109.490 108.800 0.248 0.000 2.971 716 G HA2 0.633 4.593 3.960 -0.001 0.000 0.235 716 G HA3 0.633 4.593 3.960 -0.001 0.000 0.235 716 G C -1.424 173.553 174.900 0.129 0.000 1.351 716 G CA -0.708 44.482 45.100 0.151 0.000 1.039 716 G HN 0.436 nan 8.290 nan 0.000 0.563 717 V N -0.241 119.718 119.914 0.074 0.000 2.864 717 V HA 0.469 4.589 4.120 -0.001 0.000 0.314 717 V C -0.058 176.038 176.094 0.003 0.000 1.073 717 V CA -0.881 61.442 62.300 0.038 0.000 0.956 717 V CB 1.993 33.842 31.823 0.042 0.000 1.023 717 V HN 0.679 nan 8.190 nan 0.000 0.435 718 R N 1.244 121.720 120.500 -0.041 0.000 2.491 718 R HA 0.194 4.534 4.340 -0.001 0.000 0.283 718 R C 1.180 177.443 176.300 -0.063 0.000 1.072 718 R CA 0.436 56.479 56.100 -0.095 0.000 1.048 718 R CB 0.622 30.811 30.300 -0.184 0.000 0.983 718 R HN 0.914 nan 8.270 nan 0.000 0.450 719 S N 1.562 117.243 115.700 -0.032 0.000 2.528 719 S HA -0.035 4.435 4.470 -0.001 0.000 0.219 719 S C 0.543 175.200 174.600 0.096 0.000 0.985 719 S CA 0.024 58.251 58.200 0.046 0.000 0.914 719 S CB -0.185 63.069 63.200 0.090 0.000 0.776 719 S HN 0.784 nan 8.310 nan 0.000 0.526 720 H N -1.208 117.865 119.070 0.004 0.000 2.895 720 H HA 0.640 5.195 4.556 -0.001 0.000 0.373 720 H C 0.484 175.811 175.328 -0.002 0.000 1.174 720 H CA -0.388 55.661 56.048 0.001 0.000 1.144 720 H CB 1.106 30.868 29.762 0.000 0.000 1.793 720 H HN 0.455 nan 8.280 nan 0.000 0.551 721 G N 1.548 110.350 108.800 0.004 0.000 2.615 721 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 721 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 721 G C -1.183 173.682 174.900 -0.059 0.000 1.339 721 G CA -0.209 44.858 45.100 -0.055 0.000 0.884 721 G HN 0.785 nan 8.290 nan 0.000 0.559 722 D N 1.339 121.701 120.400 -0.064 0.000 2.389 722 D HA 0.443 5.083 4.640 -0.001 0.000 0.247 722 D C 1.000 177.267 176.300 -0.056 0.000 1.128 722 D CA 0.308 54.277 54.000 -0.051 0.000 0.884 722 D CB 0.593 41.364 40.800 -0.048 0.000 1.194 722 D HN 0.504 nan 8.370 nan 0.000 0.441 723 R N 1.121 121.599 120.500 -0.037 0.000 2.474 723 R HA 0.354 4.694 4.340 -0.001 0.000 0.295 723 R C 0.119 176.411 176.300 -0.014 0.000 0.980 723 R CA -0.692 55.394 56.100 -0.023 0.000 0.934 723 R CB 1.242 31.539 30.300 -0.006 0.000 1.101 723 R HN 0.307 nan 8.270 nan 0.000 0.469 724 S N 0.440 116.143 115.700 0.005 0.000 2.563 724 S HA 0.311 4.781 4.470 -0.001 0.000 0.284 724 S C 0.457 175.078 174.600 0.035 0.000 1.331 724 S CA 0.002 58.223 58.200 0.034 0.000 1.047 724 S CB 1.201 64.454 63.200 0.088 0.000 0.859 724 S HN 0.786 nan 8.310 nan 0.000 0.514 725 G N -0.097 108.725 108.800 0.036 0.000 2.815 725 G HA2 0.588 4.548 3.960 -0.001 0.000 0.305 725 G HA3 0.588 4.548 3.960 -0.001 0.000 0.305 725 G C 0.560 175.482 174.900 0.036 0.000 1.277 725 G CA -0.125 45.003 45.100 0.046 0.000 0.795 725 G HN 0.707 nan 8.290 nan 0.000 0.528 726 A N -1.231 121.598 122.820 0.015 0.000 1.978 726 A HA 0.037 4.357 4.320 -0.001 0.000 0.220 726 A C 1.938 179.430 177.584 -0.154 0.000 1.170 726 A CA 2.131 54.115 52.037 -0.089 0.000 0.636 726 A CB -0.667 18.216 19.000 -0.194 0.000 0.810 726 A HN 0.601 nan 8.150 nan 0.000 0.448 727 Y N -0.803 119.433 120.300 -0.107 0.000 2.301 727 Y HA 0.329 4.879 4.550 -0.001 0.000 0.295 727 Y C 0.900 176.691 175.900 -0.182 0.000 1.126 727 Y CA 0.099 58.061 58.100 -0.229 0.000 1.154 727 Y CB -0.161 37.801 38.460 -0.830 0.000 1.075 727 Y HN 0.030 nan 8.280 nan 0.000 0.534 728 L N 0.475 121.659 121.223 -0.064 0.000 2.312 728 L HA 0.225 4.564 4.340 -0.001 0.000 0.281 728 L C -0.941 175.981 176.870 0.087 0.000 1.070 728 L CA -0.374 54.434 54.840 -0.053 0.000 0.805 728 L CB 1.183 43.158 42.059 -0.140 0.000 1.174 728 L HN 0.102 nan 8.230 nan 0.000 0.434 729 F N 4.928 124.822 119.950 -0.093 0.000 2.361 729 F HA 0.477 5.004 4.527 -0.001 0.000 0.364 729 F C -0.570 175.152 175.800 -0.131 0.000 1.117 729 F CA -0.751 57.154 58.000 -0.157 0.000 1.071 729 F CB 0.695 39.535 39.000 -0.266 0.000 1.188 729 F HN 0.323 nan 8.300 nan 0.000 0.464 730 L N 8.984 130.106 121.223 -0.168 0.000 2.529 730 L HA 0.320 4.660 4.340 -0.001 0.000 0.246 730 L C -2.310 174.380 176.870 -0.301 0.000 1.394 730 L CA -1.874 52.812 54.840 -0.257 0.000 0.906 730 L CB 0.880 42.874 42.059 -0.109 0.000 1.170 730 L HN 0.425 nan 8.230 nan 0.000 0.501 731 P HA 0.014 nan 4.420 nan 0.000 0.269 731 P C -0.479 176.735 177.300 -0.143 0.000 1.215 731 P CA -0.224 62.686 63.100 -0.315 0.000 0.780 731 P CB 0.565 31.943 31.700 -0.537 0.000 0.898 732 N N 1.143 119.832 118.700 -0.018 0.000 3.250 732 N HA 0.269 5.008 4.740 -0.001 0.000 0.307 732 N C 0.707 176.231 175.510 0.023 0.000 1.355 732 N CA -0.111 52.932 53.050 -0.013 0.000 1.192 732 N CB -0.853 37.638 38.487 0.007 0.000 1.478 732 N HN 0.752 nan 8.380 nan 0.000 0.543 733 G N 0.779 109.587 108.800 0.013 0.000 2.655 733 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.680 733 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.680 733 G C -3.031 171.943 174.900 0.124 0.000 1.302 733 G CA -1.124 44.001 45.100 0.042 0.000 0.872 733 G HN 0.371 nan 8.290 nan 0.000 0.540 734 P HA 0.451 nan 4.420 nan 0.000 0.268 734 P C 0.536 177.805 177.300 -0.052 0.000 1.208 734 P CA 0.695 63.858 63.100 0.105 0.000 0.777 734 P CB 0.429 32.155 31.700 0.044 0.000 0.875 735 A N 2.157 124.763 122.820 -0.356 0.000 2.425 735 A HA 0.362 4.682 4.320 -0.001 0.000 0.242 735 A C 0.191 177.626 177.584 -0.248 0.000 1.077 735 A CA 0.339 52.010 52.037 -0.609 0.000 0.781 735 A CB -0.225 18.123 19.000 -1.086 0.000 1.020 735 A HN 0.476 nan 8.150 nan 0.000 0.494 736 S N 2.317 117.908 115.700 -0.182 0.000 2.509 736 S HA 0.583 5.052 4.470 -0.001 0.000 0.297 736 S C -2.683 171.879 174.600 -0.063 0.000 1.118 736 S CA -1.002 57.147 58.200 -0.084 0.000 1.074 736 S CB 1.303 64.477 63.200 -0.045 0.000 1.038 736 S HN 0.570 nan 8.310 nan 0.000 0.498 737 P HA 0.113 nan 4.420 nan 0.000 0.268 737 P C -0.709 176.599 177.300 0.013 0.000 1.205 737 P CA -0.344 62.755 63.100 -0.003 0.000 0.771 737 P CB 0.314 32.019 31.700 0.009 0.000 0.858 738 V N 3.996 123.933 119.914 0.039 0.000 2.585 738 V HA -0.011 4.108 4.120 -0.001 0.000 0.296 738 V C 0.987 177.098 176.094 0.029 0.000 1.035 738 V CA 0.181 62.502 62.300 0.035 0.000 1.084 738 V CB -0.114 31.740 31.823 0.051 0.000 0.953 738 V HN 0.482 nan 8.190 nan 0.000 0.483 739 E N 4.962 125.172 120.200 0.017 0.000 2.217 739 E HA 0.140 4.490 4.350 -0.001 0.000 0.279 739 E C 0.613 177.222 176.600 0.014 0.000 1.068 739 E CA 0.012 56.422 56.400 0.018 0.000 0.882 739 E CB 1.152 30.860 29.700 0.015 0.000 1.039 739 E HN 0.539 nan 8.360 nan 0.000 0.418 740 L N 1.953 123.189 121.223 0.021 0.000 2.446 740 L HA 0.080 4.420 4.340 -0.001 0.000 0.219 740 L C 1.402 178.285 176.870 0.022 0.000 1.116 740 L CA 0.539 55.389 54.840 0.017 0.000 0.844 740 L CB -0.477 41.600 42.059 0.030 0.000 0.970 740 L HN 0.756 nan 8.230 nan 0.000 0.457 741 G N 0.772 109.588 108.800 0.027 0.000 2.547 741 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.271 741 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.271 741 G C -0.030 174.894 174.900 0.039 0.000 1.209 741 G CA -0.208 44.911 45.100 0.033 0.000 0.959 741 G HN 0.362 nan 8.290 nan 0.000 0.563 742 Q N 1.646 121.473 119.800 0.045 0.000 2.644 742 Q HA 0.350 4.690 4.340 -0.001 0.000 0.245 742 Q C -2.129 173.908 176.000 0.061 0.000 1.064 742 Q CA -1.454 54.379 55.803 0.050 0.000 0.860 742 Q CB 1.782 30.548 28.738 0.046 0.000 1.145 742 Q HN 0.570 nan 8.270 nan 0.000 0.515 743 P HA 0.054 nan 4.420 nan 0.000 0.272 743 P C -0.211 177.152 177.300 0.105 0.000 1.223 743 P CA -0.241 62.906 63.100 0.078 0.000 0.784 743 P CB 1.049 32.777 31.700 0.047 0.000 0.923 744 V N 2.412 122.425 119.914 0.164 0.000 2.530 744 V HA 0.127 4.246 4.120 -0.001 0.000 0.282 744 V C 0.539 176.776 176.094 0.237 0.000 1.048 744 V CA -0.222 62.195 62.300 0.195 0.000 0.997 744 V CB 1.230 33.206 31.823 0.255 0.000 0.987 744 V HN 0.269 nan 8.190 nan 0.000 0.477 745 V N 6.329 126.329 119.914 0.143 0.000 2.448 745 V HA 0.464 4.583 4.120 -0.001 0.000 0.295 745 V C -0.445 175.663 176.094 0.023 0.000 1.025 745 V CA -0.622 61.737 62.300 0.099 0.000 0.859 745 V CB 1.691 33.533 31.823 0.033 0.000 0.988 745 V HN 0.669 nan 8.190 nan 0.000 0.431 746 L N 6.784 128.013 121.223 0.011 0.000 2.305 746 L HA 0.726 5.066 4.340 -0.001 0.000 0.284 746 L C -0.609 176.145 176.870 -0.194 0.000 1.013 746 L CA 0.013 54.739 54.840 -0.191 0.000 0.819 746 L CB 1.734 43.592 42.059 -0.336 0.000 1.227 746 L HN 0.437 nan 8.230 nan 0.000 0.417 747 V N 4.115 123.906 119.914 -0.205 0.000 2.384 747 V HA 0.548 4.668 4.120 -0.001 0.000 0.287 747 V C 0.026 176.048 176.094 -0.120 0.000 1.020 747 V CA -0.401 61.798 62.300 -0.167 0.000 0.850 747 V CB 1.566 33.305 31.823 -0.139 0.000 0.987 747 V HN 0.842 nan 8.190 nan 0.000 0.436 748 T N 5.390 119.904 114.554 -0.066 0.000 2.770 748 T HA 0.430 4.780 4.350 -0.001 0.000 0.283 748 T C -0.397 174.329 174.700 0.043 0.000 0.988 748 T CA -0.557 61.559 62.100 0.027 0.000 0.957 748 T CB 1.109 70.032 68.868 0.092 0.000 0.930 748 T HN 0.641 nan 8.240 nan 0.000 0.443 749 K N 2.385 122.827 120.400 0.070 0.000 2.358 749 K HA 0.681 5.001 4.320 -0.001 0.000 0.260 749 K C -0.366 176.291 176.600 0.095 0.000 0.956 749 K CA -0.571 55.758 56.287 0.069 0.000 0.834 749 K CB 1.037 33.571 32.500 0.056 0.000 1.102 749 K HN 0.798 nan 8.250 nan 0.000 0.431 750 G N 2.129 110.982 108.800 0.088 0.000 2.680 750 G HA2 0.171 4.130 3.960 -0.001 0.000 0.290 750 G HA3 0.171 4.130 3.960 -0.001 0.000 0.290 750 G C -0.234 174.709 174.900 0.072 0.000 1.355 750 G CA -0.596 44.558 45.100 0.090 0.000 0.903 750 G HN 0.643 nan 8.290 nan 0.000 0.474 751 K N -0.333 120.105 120.400 0.063 0.000 2.097 751 K HA 0.116 4.436 4.320 -0.001 0.000 0.205 751 K C 1.731 178.364 176.600 0.057 0.000 1.050 751 K CA 0.975 57.295 56.287 0.056 0.000 0.938 751 K CB -0.143 32.386 32.500 0.049 0.000 0.718 751 K HN 0.435 nan 8.250 nan 0.000 0.442 752 L N -0.583 120.675 121.223 0.059 0.000 2.357 752 L HA 0.187 4.526 4.340 -0.001 0.000 0.211 752 L C 0.638 177.542 176.870 0.056 0.000 1.075 752 L CA 0.150 55.025 54.840 0.058 0.000 0.830 752 L CB 0.343 42.440 42.059 0.063 0.000 0.996 752 L HN 0.168 nan 8.230 nan 0.000 0.467 753 E N -0.373 119.865 120.200 0.063 0.000 2.321 753 E HA 0.404 4.753 4.350 -0.001 0.000 0.281 753 E C -1.475 175.168 176.600 0.071 0.000 0.910 753 E CA -0.224 56.213 56.400 0.063 0.000 0.770 753 E CB 2.155 31.892 29.700 0.061 0.000 1.225 753 E HN -0.127 nan 8.360 nan 0.000 0.417 754 S N 1.365 117.104 115.700 0.064 0.000 2.634 754 S HA 0.773 5.243 4.470 -0.001 0.000 0.296 754 S C -1.341 173.282 174.600 0.038 0.000 1.104 754 S CA -0.707 57.527 58.200 0.056 0.000 0.920 754 S CB 1.883 65.116 63.200 0.056 0.000 1.111 754 S HN 0.503 nan 8.310 nan 0.000 0.493 755 S N 0.470 116.168 115.700 -0.002 0.000 2.547 755 S HA 0.690 5.160 4.470 -0.001 0.000 0.270 755 S C -2.065 172.441 174.600 -0.156 0.000 1.150 755 S CA -0.538 57.636 58.200 -0.044 0.000 0.850 755 S CB 1.131 64.331 63.200 -0.001 0.000 1.118 755 S HN 0.469 nan 8.310 nan 0.000 0.461 756 V N 2.895 122.656 119.914 -0.255 0.000 2.531 756 V HA 0.719 4.838 4.120 -0.001 0.000 0.301 756 V C -0.443 175.515 176.094 -0.227 0.000 1.034 756 V CA -0.474 61.601 62.300 -0.376 0.000 0.865 756 V CB 1.621 32.903 31.823 -0.902 0.000 0.995 756 V HN 0.904 nan 8.190 nan 0.000 0.424 757 S N 3.133 118.756 115.700 -0.128 0.000 2.526 757 S HA 0.794 5.263 4.470 -0.001 0.000 0.293 757 S C -0.890 173.652 174.600 -0.096 0.000 1.092 757 S CA -0.612 57.525 58.200 -0.106 0.000 0.980 757 S CB 2.155 65.394 63.200 0.064 0.000 1.048 757 S HN 0.665 nan 8.310 nan 0.000 0.483 758 V N 2.020 121.765 119.914 -0.282 0.000 2.760 758 V HA 0.818 4.938 4.120 -0.001 0.000 0.309 758 V C -0.089 175.678 176.094 -0.545 0.000 1.077 758 V CA -0.421 61.736 62.300 -0.239 0.000 0.910 758 V CB 1.825 33.624 31.823 -0.041 0.000 1.008 758 V HN 0.990 nan 8.190 nan 0.000 0.424 759 G N 6.924 115.437 108.800 -0.478 0.000 2.546 759 G HA2 0.543 4.503 3.960 -0.001 0.000 0.320 759 G HA3 0.543 4.503 3.960 -0.001 0.000 0.320 759 G C -0.601 174.190 174.900 -0.181 0.000 0.984 759 G CA -0.326 44.524 45.100 -0.416 0.000 1.183 759 G HN 0.701 nan 8.290 nan 0.000 0.443 760 L N 2.757 123.829 121.223 -0.252 0.000 2.387 760 L HA 0.423 4.762 4.340 -0.001 0.000 0.266 760 L C -2.055 174.695 176.870 -0.199 0.000 1.059 760 L CA -2.411 52.304 54.840 -0.207 0.000 0.801 760 L CB 1.966 43.830 42.059 -0.326 0.000 1.223 760 L HN 0.206 nan 8.230 nan 0.000 0.456 761 P HA 0.075 nan 4.420 nan 0.000 0.267 761 P C 0.055 177.250 177.300 -0.176 0.000 1.209 761 P CA 0.362 63.377 63.100 -0.142 0.000 0.763 761 P CB 0.926 32.571 31.700 -0.092 0.000 0.816 762 S N -0.332 115.268 115.700 -0.167 0.000 2.981 762 S HA -0.116 4.353 4.470 -0.001 0.000 0.274 762 S C 0.204 174.689 174.600 -0.192 0.000 1.297 762 S CA 1.258 59.369 58.200 -0.148 0.000 1.266 762 S CB -1.613 61.528 63.200 -0.098 0.000 1.542 762 S HN 0.413 nan 8.310 nan 0.000 0.674 763 V N 1.119 120.862 119.914 -0.285 0.000 2.711 763 V HA 0.437 4.556 4.120 -0.001 0.000 0.304 763 V C -0.249 175.617 176.094 -0.381 0.000 1.097 763 V CA -0.817 61.275 62.300 -0.347 0.000 0.906 763 V CB 2.139 33.599 31.823 -0.606 0.000 1.015 763 V HN 0.091 nan 8.190 nan 0.000 0.427 764 V N 4.043 123.742 119.914 -0.358 0.000 2.368 764 V HA 0.339 4.458 4.120 -0.001 0.000 0.266 764 V C -0.197 175.685 176.094 -0.353 0.000 1.045 764 V CA -0.356 61.628 62.300 -0.528 0.000 0.899 764 V CB 0.884 32.275 31.823 -0.720 0.000 1.006 764 V HN 0.935 nan 8.190 nan 0.000 0.470 765 H N 4.513 123.326 119.070 -0.427 0.000 2.488 765 H HA 0.591 5.147 4.556 -0.001 0.000 0.322 765 H C -0.412 174.799 175.328 -0.195 0.000 1.078 765 H CA -0.188 55.714 56.048 -0.245 0.000 1.260 765 H CB 1.179 30.828 29.762 -0.188 0.000 1.425 765 H HN 0.686 nan 8.280 nan 0.000 0.471 766 Q N 3.925 123.422 119.800 -0.505 0.000 2.323 766 Q HA 0.392 4.732 4.340 -0.001 0.000 0.271 766 Q C -1.333 174.454 176.000 -0.354 0.000 1.048 766 Q CA -0.918 54.671 55.803 -0.356 0.000 0.792 766 Q CB 1.653 30.286 28.738 -0.174 0.000 1.280 766 Q HN 0.752 nan 8.270 nan 0.000 0.441 767 T N 4.829 119.257 114.554 -0.209 0.000 2.772 767 T HA 0.530 4.879 4.350 -0.001 0.000 0.288 767 T C -0.370 174.349 174.700 0.032 0.000 0.994 767 T CA -0.324 61.768 62.100 -0.012 0.000 0.951 767 T CB 0.291 69.308 68.868 0.248 0.000 0.933 767 T HN 0.456 nan 8.240 nan 0.000 0.447 768 I N 3.696 124.299 120.570 0.055 0.000 2.404 768 I HA 0.498 4.667 4.170 -0.001 0.000 0.293 768 I C -0.246 175.919 176.117 0.080 0.000 0.992 768 I CA -0.786 60.547 61.300 0.055 0.000 1.149 768 I CB 1.748 39.772 38.000 0.039 0.000 1.315 768 I HN 0.389 nan 8.210 nan 0.000 0.446 769 M N 5.883 125.530 119.600 0.079 0.000 2.253 769 M HA 0.478 4.958 4.480 -0.001 0.000 0.314 769 M C 0.157 176.495 176.300 0.064 0.000 1.019 769 M CA -0.319 55.031 55.300 0.083 0.000 0.932 769 M CB 2.179 34.842 32.600 0.105 0.000 1.606 769 M HN 0.473 nan 8.290 nan 0.000 0.430 770 R N 1.128 121.660 120.500 0.054 0.000 2.572 770 R HA 0.368 4.707 4.340 -0.001 0.000 0.370 770 R C 0.810 177.135 176.300 0.043 0.000 1.005 770 R CA 0.257 56.383 56.100 0.045 0.000 1.146 770 R CB 1.114 31.433 30.300 0.033 0.000 1.390 770 R HN 1.137 nan 8.270 nan 0.000 0.553 771 G N -0.396 108.431 108.800 0.045 0.000 2.284 771 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.201 771 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.201 771 G C 0.302 175.221 174.900 0.032 0.000 0.998 771 G CA -0.397 44.726 45.100 0.039 0.000 0.651 771 G HN 0.515 nan 8.290 nan 0.000 0.489 772 G N -0.017 108.802 108.800 0.032 0.000 3.252 772 G HA2 0.792 4.751 3.960 -0.001 0.000 0.181 772 G HA3 0.792 4.751 3.960 -0.001 0.000 0.181 772 G C 0.419 175.337 174.900 0.029 0.000 1.187 772 G CA 0.471 45.586 45.100 0.025 0.000 0.886 772 G HN 1.519 nan 8.290 nan 0.000 0.615 773 A N 1.404 124.239 122.820 0.025 0.000 2.540 773 A HA 0.517 4.836 4.320 -0.001 0.000 0.239 773 A C -1.716 175.902 177.584 0.057 0.000 1.061 773 A CA -0.430 51.628 52.037 0.034 0.000 0.758 773 A CB -0.433 18.585 19.000 0.029 0.000 0.991 773 A HN 0.400 nan 8.150 nan 0.000 0.502 774 P HA 0.137 nan 4.420 nan 0.000 0.272 774 P C -0.497 176.870 177.300 0.113 0.000 1.230 774 P CA -0.209 62.953 63.100 0.102 0.000 0.788 774 P CB 0.686 32.468 31.700 0.137 0.000 0.949 775 E N 1.371 121.633 120.200 0.104 0.000 2.191 775 E HA 0.370 4.720 4.350 -0.001 0.000 0.278 775 E C -0.742 175.930 176.600 0.119 0.000 0.972 775 E CA -0.721 55.744 56.400 0.108 0.000 0.804 775 E CB 0.572 30.312 29.700 0.067 0.000 1.110 775 E HN 0.219 nan 8.360 nan 0.000 0.394 776 I N 4.151 124.825 120.570 0.173 0.000 2.377 776 I HA 0.410 4.579 4.170 -0.001 0.000 0.293 776 I C 0.004 176.235 176.117 0.191 0.000 0.987 776 I CA -0.609 60.770 61.300 0.133 0.000 1.185 776 I CB 1.269 39.354 38.000 0.142 0.000 1.341 776 I HN 0.564 nan 8.210 nan 0.000 0.455 777 R N 4.595 125.137 120.500 0.070 0.000 2.561 777 R HA 0.496 4.836 4.340 -0.001 0.000 0.297 777 R C -0.958 175.391 176.300 0.082 0.000 0.969 777 R CA -0.840 55.317 56.100 0.095 0.000 0.879 777 R CB 2.044 32.358 30.300 0.024 0.000 1.178 777 R HN 0.472 nan 8.270 nan 0.000 0.445 778 N N 2.546 121.355 118.700 0.182 0.000 2.407 778 N HA 0.216 4.955 4.740 -0.001 0.000 0.277 778 N C -1.322 174.203 175.510 0.025 0.000 0.995 778 N CA -0.717 52.415 53.050 0.136 0.000 0.903 778 N CB 1.974 40.648 38.487 0.313 0.000 1.218 778 N HN 0.319 nan 8.380 nan 0.000 0.487 779 L N 3.594 124.772 121.223 -0.075 0.000 2.268 779 L HA 0.397 4.737 4.340 -0.001 0.000 0.289 779 L C -1.045 175.755 176.870 -0.115 0.000 1.064 779 L CA -0.489 54.288 54.840 -0.106 0.000 0.824 779 L CB 0.523 42.507 42.059 -0.126 0.000 1.202 779 L HN 0.217 nan 8.230 nan 0.000 0.433 780 V N 4.568 124.418 119.914 -0.105 0.000 2.350 780 V HA 0.392 4.512 4.120 -0.001 0.000 0.276 780 V C -0.506 175.551 176.094 -0.061 0.000 1.028 780 V CA -0.501 61.755 62.300 -0.075 0.000 0.860 780 V CB 1.315 33.124 31.823 -0.023 0.000 0.990 780 V HN 0.690 nan 8.190 nan 0.000 0.453 781 D N 4.033 124.397 120.400 -0.060 0.000 2.375 781 D HA 0.259 4.899 4.640 -0.001 0.000 0.259 781 D C 0.546 176.825 176.300 -0.034 0.000 1.235 781 D CA -0.410 53.565 54.000 -0.041 0.000 0.924 781 D CB 1.340 42.112 40.800 -0.047 0.000 1.143 781 D HN 0.466 nan 8.370 nan 0.000 0.529 782 I N 2.365 122.932 120.570 -0.005 0.000 3.083 782 I HA 0.049 4.219 4.170 -0.001 0.000 0.273 782 I C 1.383 177.499 176.117 -0.001 0.000 1.297 782 I CA 1.138 62.441 61.300 0.005 0.000 1.452 782 I CB -0.235 37.788 38.000 0.038 0.000 1.078 782 I HN 0.621 nan 8.210 nan 0.000 0.484 783 G N 0.861 109.658 108.800 -0.005 0.000 2.611 783 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.301 783 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.301 783 G C 0.563 175.468 174.900 0.009 0.000 1.233 783 G CA 0.494 45.591 45.100 -0.005 0.000 0.993 783 G HN 0.706 nan 8.290 nan 0.000 0.553 784 S N -0.106 115.599 115.700 0.008 0.000 2.561 784 S HA 0.551 5.021 4.470 -0.001 0.000 0.245 784 S C 0.743 175.354 174.600 0.019 0.000 1.001 784 S CA 0.009 58.220 58.200 0.017 0.000 1.002 784 S CB 0.064 63.276 63.200 0.019 0.000 0.805 784 S HN 0.689 nan 8.310 nan 0.000 0.458 785 L N 2.940 124.173 121.223 0.018 0.000 2.505 785 L HA 0.284 4.623 4.340 -0.001 0.000 0.279 785 L C -0.341 176.551 176.870 0.036 0.000 1.211 785 L CA -0.306 54.548 54.840 0.024 0.000 1.059 785 L CB -0.608 41.463 42.059 0.021 0.000 1.340 785 L HN 0.156 nan 8.230 nan 0.000 0.447 786 D N 2.719 123.140 120.400 0.035 0.000 2.382 786 D HA 0.022 4.661 4.640 -0.001 0.000 0.240 786 D C 0.653 176.981 176.300 0.048 0.000 1.146 786 D CA 0.209 54.234 54.000 0.041 0.000 0.897 786 D CB 0.375 41.196 40.800 0.036 0.000 1.197 786 D HN 0.303 nan 8.370 nan 0.000 0.432 787 N N 0.521 119.254 118.700 0.054 0.000 2.714 787 N HA -0.174 4.565 4.740 -0.001 0.000 0.253 787 N C -0.979 174.579 175.510 0.080 0.000 1.024 787 N CA 0.842 53.930 53.050 0.064 0.000 0.726 787 N CB -1.146 37.373 38.487 0.054 0.000 0.908 787 N HN 0.286 nan 8.380 nan 0.000 0.542 788 T N 0.452 115.058 114.554 0.086 0.000 2.916 788 T HA 0.422 4.771 4.350 -0.001 0.000 0.298 788 T C -0.304 174.468 174.700 0.121 0.000 1.031 788 T CA -0.719 61.444 62.100 0.104 0.000 0.993 788 T CB 2.312 71.227 68.868 0.077 0.000 1.045 788 T HN 0.032 nan 8.240 nan 0.000 0.454 789 E N 2.402 122.705 120.200 0.171 0.000 2.199 789 E HA 0.449 4.799 4.350 -0.001 0.000 0.265 789 E C -0.769 175.955 176.600 0.207 0.000 0.882 789 E CA -0.633 55.866 56.400 0.166 0.000 0.759 789 E CB 2.310 32.089 29.700 0.131 0.000 1.148 789 E HN 0.483 nan 8.360 nan 0.000 0.412 790 I N 2.805 123.481 120.570 0.176 0.000 2.331 790 I HA 0.225 4.394 4.170 -0.001 0.000 0.292 790 I C -0.240 176.020 176.117 0.238 0.000 0.998 790 I CA -0.776 60.641 61.300 0.194 0.000 1.267 790 I CB 1.404 39.508 38.000 0.173 0.000 1.386 790 I HN 0.199 nan 8.210 nan 0.000 0.476 791 V N 8.100 128.154 119.914 0.234 0.000 2.628 791 V HA 0.491 4.610 4.120 -0.001 0.000 0.306 791 V C -0.421 175.717 176.094 0.073 0.000 1.045 791 V CA -0.725 61.699 62.300 0.207 0.000 0.905 791 V CB 1.999 34.001 31.823 0.299 0.000 0.997 791 V HN 0.747 nan 8.190 nan 0.000 0.436 792 M N 7.288 126.858 119.600 -0.050 0.000 2.129 792 M HA 0.562 5.041 4.480 -0.001 0.000 0.348 792 M C -0.543 175.633 176.300 -0.206 0.000 1.116 792 M CA -0.415 54.630 55.300 -0.424 0.000 1.022 792 M CB 0.584 32.893 32.600 -0.485 0.000 1.599 792 M HN 0.752 nan 8.290 nan 0.000 0.449 793 R N 4.643 125.021 120.500 -0.203 0.000 2.711 793 R HA 0.698 5.037 4.340 -0.001 0.000 0.284 793 R C -1.938 174.318 176.300 -0.074 0.000 0.968 793 R CA -0.638 55.408 56.100 -0.090 0.000 0.924 793 R CB 1.503 31.762 30.300 -0.068 0.000 1.162 793 R HN 0.810 nan 8.270 nan 0.000 0.465 794 L N 3.286 124.435 121.223 -0.124 0.000 2.313 794 L HA 0.413 4.752 4.340 -0.001 0.000 0.283 794 L C -0.538 176.243 176.870 -0.150 0.000 1.013 794 L CA -0.390 54.304 54.840 -0.244 0.000 0.816 794 L CB 1.912 43.770 42.059 -0.334 0.000 1.236 794 L HN 0.606 nan 8.230 nan 0.000 0.419 795 E N 2.269 122.393 120.200 -0.126 0.000 2.145 795 E HA 0.472 4.821 4.350 -0.001 0.000 0.270 795 E C -0.548 175.991 176.600 -0.101 0.000 0.906 795 E CA -0.459 55.890 56.400 -0.084 0.000 0.761 795 E CB 2.043 31.698 29.700 -0.076 0.000 1.116 795 E HN 0.608 nan 8.360 nan 0.000 0.408 796 T N -1.009 113.502 114.554 -0.072 0.000 2.831 796 T HA 0.337 4.687 4.350 -0.001 0.000 0.287 796 T C 0.165 174.902 174.700 0.062 0.000 1.070 796 T CA -0.698 61.340 62.100 -0.103 0.000 1.010 796 T CB 1.073 69.897 68.868 -0.074 0.000 1.264 796 T HN 0.586 nan 8.240 nan 0.000 0.532 797 H N -0.630 118.424 119.070 -0.026 0.000 2.542 797 H HA 0.413 4.968 4.556 -0.001 0.000 0.283 797 H C 0.154 175.476 175.328 -0.009 0.000 1.059 797 H CA -0.622 55.413 56.048 -0.021 0.000 1.162 797 H CB 0.121 29.871 29.762 -0.019 0.000 1.539 797 H HN 0.328 nan 8.280 nan 0.000 0.543 798 I N 2.009 122.635 120.570 0.093 0.000 2.752 798 I HA -0.141 4.029 4.170 -0.001 0.000 0.289 798 I C 0.592 176.747 176.117 0.064 0.000 1.197 798 I CA 0.359 61.697 61.300 0.064 0.000 1.432 798 I CB 0.412 38.441 38.000 0.048 0.000 1.359 798 I HN 0.206 nan 8.210 nan 0.000 0.571 799 D N 4.830 125.264 120.400 0.057 0.000 2.713 799 D HA 0.028 4.668 4.640 -0.001 0.000 0.229 799 D C 1.234 177.570 176.300 0.061 0.000 1.136 799 D CA -0.026 54.004 54.000 0.049 0.000 1.010 799 D CB 0.339 41.162 40.800 0.037 0.000 1.084 799 D HN 0.553 nan 8.370 nan 0.000 0.495 800 S N 0.367 116.109 115.700 0.071 0.000 2.496 800 S HA 0.233 4.703 4.470 -0.001 0.000 0.224 800 S C 1.584 176.234 174.600 0.083 0.000 0.996 800 S CA 0.303 58.560 58.200 0.094 0.000 0.927 800 S CB -0.163 63.106 63.200 0.115 0.000 0.774 800 S HN 0.541 nan 8.310 nan 0.000 0.524 801 G N 3.156 111.993 108.800 0.062 0.000 2.543 801 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.286 801 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.286 801 G C 0.091 175.030 174.900 0.066 0.000 1.153 801 G CA 0.523 45.656 45.100 0.054 0.000 0.968 801 G HN 0.758 nan 8.290 nan 0.000 0.544 802 D N 0.184 120.628 120.400 0.073 0.000 2.440 802 D HA 0.355 4.994 4.640 -0.001 0.000 0.216 802 D C 0.671 177.052 176.300 0.134 0.000 1.150 802 D CA -0.212 53.848 54.000 0.101 0.000 0.832 802 D CB 0.267 41.111 40.800 0.074 0.000 0.992 802 D HN 0.451 nan 8.370 nan 0.000 0.502 803 I N 1.461 122.096 120.570 0.110 0.000 2.460 803 I HA 0.498 4.668 4.170 -0.001 0.000 0.298 803 I C -0.107 176.102 176.117 0.153 0.000 0.989 803 I CA -1.100 60.212 61.300 0.021 0.000 1.173 803 I CB 0.713 38.696 38.000 -0.028 0.000 1.338 803 I HN 0.008 nan 8.210 nan 0.000 0.456 804 F N 4.155 123.933 119.950 -0.286 0.000 2.745 804 F HA 0.693 5.220 4.527 -0.001 0.000 0.316 804 F C -2.036 173.419 175.800 -0.576 0.000 1.155 804 F CA -1.153 56.702 58.000 -0.242 0.000 0.937 804 F CB 1.578 40.505 39.000 -0.121 0.000 1.361 804 F HN 0.167 nan 8.300 nan 0.000 0.472 805 Y N 0.158 120.238 120.300 -0.366 0.000 2.442 805 Y HA 0.668 5.217 4.550 -0.001 0.000 0.344 805 Y C -0.061 175.667 175.900 -0.286 0.000 0.976 805 Y CA -0.775 56.972 58.100 -0.588 0.000 1.040 805 Y CB 2.443 40.137 38.460 -1.276 0.000 1.228 805 Y HN 0.863 nan 8.280 nan 0.000 0.451 806 T N -1.289 113.195 114.554 -0.116 0.000 2.906 806 T HA 0.478 4.827 4.350 -0.001 0.000 0.295 806 T C -1.040 173.484 174.700 -0.293 0.000 1.075 806 T CA -1.069 60.981 62.100 -0.083 0.000 1.005 806 T CB 2.017 70.813 68.868 -0.120 0.000 1.136 806 T HN 0.590 nan 8.240 nan 0.000 0.498 807 D N 1.242 121.310 120.400 -0.553 0.000 2.340 807 D HA 0.351 4.991 4.640 -0.001 0.000 0.251 807 D C -0.591 175.442 176.300 -0.445 0.000 1.080 807 D CA -0.791 52.696 54.000 -0.854 0.000 0.971 807 D CB 1.238 41.274 40.800 -1.275 0.000 1.137 807 D HN 0.559 nan 8.370 nan 0.000 0.475 808 L N 0.957 121.961 121.223 -0.366 0.000 2.316 808 L HA 0.214 4.553 4.340 -0.001 0.000 0.280 808 L C -0.116 176.633 176.870 -0.201 0.000 1.006 808 L CA -0.786 53.932 54.840 -0.204 0.000 0.836 808 L CB 0.447 42.449 42.059 -0.096 0.000 1.221 808 L HN 0.459 nan 8.230 nan 0.000 0.418 809 N N 2.102 120.691 118.700 -0.186 0.000 2.714 809 N HA -0.233 4.507 4.740 -0.001 0.000 0.250 809 N C 0.986 176.289 175.510 -0.345 0.000 1.117 809 N CA 0.917 53.853 53.050 -0.189 0.000 0.719 809 N CB -1.058 37.395 38.487 -0.057 0.000 1.081 809 N HN 1.077 nan 8.380 nan 0.000 0.557 810 G N -1.635 106.968 108.800 -0.328 0.000 2.168 810 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.263 810 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.263 810 G C 0.620 175.503 174.900 -0.028 0.000 0.977 810 G CA 0.664 45.602 45.100 -0.269 0.000 0.659 810 G HN 0.486 nan 8.290 nan 0.000 0.533 811 L N -0.290 120.851 121.223 -0.136 0.000 2.500 811 L HA 0.501 4.841 4.340 -0.001 0.000 0.219 811 L C 0.967 177.723 176.870 -0.190 0.000 1.057 811 L CA 1.919 56.591 54.840 -0.279 0.000 0.854 811 L CB 0.164 41.900 42.059 -0.538 0.000 1.078 811 L HN 0.707 nan 8.230 nan 0.000 0.480 812 Q N -1.814 117.879 119.800 -0.178 0.000 2.472 812 Q HA 0.342 4.681 4.340 -0.001 0.000 0.281 812 Q C -1.680 174.214 176.000 -0.177 0.000 0.997 812 Q CA -0.739 55.024 55.803 -0.066 0.000 0.828 812 Q CB 1.010 29.765 28.738 0.029 0.000 1.443 812 Q HN -0.049 nan 8.270 nan 0.000 0.390 813 F N 1.356 121.263 119.950 -0.071 0.000 2.436 813 F HA 0.597 5.123 4.527 -0.001 0.000 0.340 813 F C -0.117 175.645 175.800 -0.063 0.000 1.113 813 F CA -0.815 57.154 58.000 -0.053 0.000 1.022 813 F CB 1.610 40.620 39.000 0.018 0.000 1.128 813 F HN 0.531 nan 8.300 nan 0.000 0.466 814 I N 3.749 124.324 120.570 0.007 0.000 2.530 814 I HA 0.335 4.504 4.170 -0.001 0.000 0.297 814 I C -0.487 175.494 176.117 -0.227 0.000 1.011 814 I CA -0.889 60.364 61.300 -0.078 0.000 1.107 814 I CB 1.301 39.206 38.000 -0.157 0.000 1.285 814 I HN 0.501 nan 8.210 nan 0.000 0.436 815 K N 6.739 126.957 120.400 -0.304 0.000 2.368 815 K HA 0.264 4.584 4.320 -0.001 0.000 0.282 815 K C -0.843 175.310 176.600 -0.746 0.000 1.035 815 K CA -0.373 55.461 56.287 -0.755 0.000 0.973 815 K CB 0.517 32.710 32.500 -0.512 0.000 0.957 815 K HN 0.509 nan 8.250 nan 0.000 0.474 816 R N 3.264 123.143 120.500 -1.034 0.000 2.664 816 R HA 0.361 4.701 4.340 -0.001 0.000 0.286 816 R C -0.486 175.330 176.300 -0.807 0.000 0.967 816 R CA -0.795 54.637 56.100 -1.113 0.000 0.933 816 R CB 1.545 30.648 30.300 -1.995 0.000 1.146 816 R HN 0.664 nan 8.270 nan 0.000 0.468 817 R N 1.408 121.640 120.500 -0.446 0.000 2.476 817 R HA 0.289 4.628 4.340 -0.001 0.000 0.305 817 R C -0.525 175.814 176.300 0.065 0.000 0.965 817 R CA -0.669 55.342 56.100 -0.148 0.000 0.867 817 R CB 1.595 31.848 30.300 -0.079 0.000 1.176 817 R HN 0.534 nan 8.270 nan 0.000 0.447 818 R N 4.959 125.603 120.500 0.240 0.000 2.489 818 R HA 0.130 4.469 4.340 -0.001 0.000 0.287 818 R C -0.945 175.438 176.300 0.139 0.000 1.053 818 R CA 0.189 56.461 56.100 0.287 0.000 1.036 818 R CB 0.393 30.845 30.300 0.254 0.000 0.966 818 R HN 0.539 nan 8.270 nan 0.000 0.432 819 L N 5.067 126.350 121.223 0.100 0.000 2.316 819 L HA 0.225 4.564 4.340 -0.001 0.000 0.280 819 L C 0.164 177.028 176.870 -0.011 0.000 1.006 819 L CA -0.672 54.184 54.840 0.027 0.000 0.836 819 L CB 1.951 43.996 42.059 -0.024 0.000 1.221 819 L HN 0.643 nan 8.230 nan 0.000 0.418 820 D N 1.635 122.035 120.400 0.000 0.000 2.371 820 D HA -0.108 4.532 4.640 -0.001 0.000 0.221 820 D C 1.693 177.976 176.300 -0.029 0.000 0.986 820 D CA 0.725 54.720 54.000 -0.009 0.000 0.899 820 D CB 0.370 41.174 40.800 0.005 0.000 0.902 820 D HN 0.560 nan 8.370 nan 0.000 0.530 821 K N 0.235 120.609 120.400 -0.042 0.000 2.486 821 K HA 0.019 4.338 4.320 -0.001 0.000 0.194 821 K C 0.673 177.214 176.600 -0.099 0.000 1.033 821 K CA 0.326 56.585 56.287 -0.046 0.000 1.004 821 K CB 0.351 32.837 32.500 -0.022 0.000 0.798 821 K HN 0.099 nan 8.250 nan 0.000 0.495 822 L N 2.339 123.466 121.223 -0.161 0.000 2.330 822 L HA 0.463 4.803 4.340 -0.001 0.000 0.271 822 L C -2.225 174.540 176.870 -0.177 0.000 1.013 822 L CA -2.894 51.809 54.840 -0.228 0.000 0.816 822 L CB 1.411 43.237 42.059 -0.389 0.000 1.287 822 L HN -0.038 nan 8.230 nan 0.000 0.435 823 P HA 0.033 nan 4.420 nan 0.000 0.272 823 P C 0.852 178.024 177.300 -0.213 0.000 1.240 823 P CA -0.407 62.595 63.100 -0.164 0.000 0.791 823 P CB 1.255 32.885 31.700 -0.116 0.000 0.978 824 L N 0.797 121.922 121.223 -0.164 0.000 2.021 824 L HA -0.278 4.061 4.340 -0.001 0.000 0.215 824 L C 2.513 179.284 176.870 -0.164 0.000 1.074 824 L CA 1.942 56.706 54.840 -0.127 0.000 0.760 824 L CB -0.638 41.344 42.059 -0.129 0.000 0.889 824 L HN 0.435 nan 8.230 nan 0.000 0.433 825 Q N -0.321 119.272 119.800 -0.344 0.000 2.291 825 Q HA -0.164 4.176 4.340 -0.001 0.000 0.205 825 Q C 1.875 177.763 176.000 -0.187 0.000 0.970 825 Q CA 1.479 57.113 55.803 -0.282 0.000 0.876 825 Q CB -0.515 27.982 28.738 -0.402 0.000 0.935 825 Q HN 0.605 nan 8.270 nan 0.000 0.455 826 A N 1.492 123.980 122.820 -0.552 0.000 2.066 826 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 826 A C 1.651 179.046 177.584 -0.314 0.000 1.157 826 A CA 0.792 52.356 52.037 -0.789 0.000 0.670 826 A CB -0.211 17.962 19.000 -1.379 0.000 0.804 826 A HN 0.347 nan 8.150 nan 0.000 0.453 827 N N -1.187 117.443 118.700 -0.116 0.000 2.398 827 N HA 0.048 4.788 4.740 -0.001 0.000 0.188 827 N C -0.819 174.779 175.510 0.147 0.000 1.122 827 N CA 0.220 53.318 53.050 0.079 0.000 0.866 827 N CB 0.043 38.625 38.487 0.159 0.000 0.970 827 N HN 0.454 nan 8.380 nan 0.000 0.462 828 Y N 0.247 120.498 120.300 -0.082 0.000 2.304 828 Y HA 0.212 4.762 4.550 -0.001 0.000 0.328 828 Y C -0.153 175.683 175.900 -0.107 0.000 1.123 828 Y CA -0.158 57.977 58.100 0.058 0.000 1.218 828 Y CB 0.390 38.960 38.460 0.183 0.000 1.207 828 Y HN -0.069 nan 8.280 nan 0.000 0.495 829 Y N 3.137 123.569 120.300 0.220 0.000 2.605 829 Y HA 0.456 5.006 4.550 -0.001 0.000 0.343 829 Y C -2.287 173.309 175.900 -0.507 0.000 1.036 829 Y CA -2.821 55.257 58.100 -0.036 0.000 1.065 829 Y CB 1.633 40.069 38.460 -0.039 0.000 1.288 829 Y HN 0.436 nan 8.280 nan 0.000 0.481 830 P HA 0.144 nan 4.420 nan 0.000 0.271 830 P C -0.701 176.359 177.300 -0.399 0.000 1.216 830 P CA 0.162 62.677 63.100 -0.975 0.000 0.776 830 P CB 0.644 31.666 31.700 -1.131 0.000 0.881 831 I N 4.538 124.956 120.570 -0.254 0.000 2.697 831 I HA 0.170 4.339 4.170 -0.001 0.000 0.279 831 I C -1.710 174.338 176.117 -0.115 0.000 1.171 831 I CA -2.479 58.745 61.300 -0.126 0.000 1.135 831 I CB 0.757 38.739 38.000 -0.031 0.000 1.445 831 I HN 0.197 nan 8.210 nan 0.000 0.541 832 P HA -0.057 nan 4.420 nan 0.000 0.221 832 P C 1.037 178.306 177.300 -0.051 0.000 1.150 832 P CA 1.218 64.248 63.100 -0.116 0.000 0.800 832 P CB 0.591 32.193 31.700 -0.163 0.000 0.787 833 S N -3.506 112.168 115.700 -0.043 0.000 2.560 833 S HA 0.474 4.943 4.470 -0.001 0.000 0.281 833 S C 0.571 175.259 174.600 0.147 0.000 1.075 833 S CA 0.324 58.555 58.200 0.052 0.000 1.295 833 S CB 0.343 63.596 63.200 0.088 0.000 1.156 833 S HN 0.338 nan 8.310 nan 0.000 0.627 834 G N 1.515 110.404 108.800 0.149 0.000 2.368 834 G HA2 0.548 4.507 3.960 -0.001 0.000 0.293 834 G HA3 0.548 4.507 3.960 -0.001 0.000 0.293 834 G C -1.509 173.641 174.900 0.416 0.000 1.467 834 G CA -0.439 44.872 45.100 0.351 0.000 0.804 834 G HN 0.869 nan 8.290 nan 0.000 0.535 835 M N -0.694 119.172 119.600 0.443 0.000 2.578 835 M HA 0.894 5.373 4.480 -0.001 0.000 0.276 835 M C -1.663 174.880 176.300 0.406 0.000 1.245 835 M CA -1.022 54.500 55.300 0.370 0.000 0.871 835 M CB 2.538 35.265 32.600 0.211 0.000 1.722 835 M HN 1.210 nan 8.290 nan 0.000 0.473 836 F N 0.783 120.882 119.950 0.248 0.000 2.668 836 F HA 0.901 5.427 4.527 -0.001 0.000 0.309 836 F C -1.789 174.147 175.800 0.226 0.000 1.117 836 F CA -1.217 56.868 58.000 0.141 0.000 0.951 836 F CB 1.108 40.104 39.000 -0.007 0.000 1.323 836 F HN 0.786 nan 8.300 nan 0.000 0.451 837 I N -0.138 120.673 120.570 0.402 0.000 2.785 837 I HA 0.895 5.065 4.170 -0.001 0.000 0.302 837 I C -1.380 174.923 176.117 0.311 0.000 1.069 837 I CA -0.856 60.640 61.300 0.327 0.000 1.045 837 I CB 2.406 40.515 38.000 0.181 0.000 1.236 837 I HN 0.953 nan 8.210 nan 0.000 0.429 838 E N 2.197 122.564 120.200 0.278 0.000 2.423 838 E HA 0.543 4.893 4.350 -0.001 0.000 0.280 838 E C -2.051 174.632 176.600 0.139 0.000 1.030 838 E CA -0.843 55.662 56.400 0.176 0.000 0.812 838 E CB 2.187 31.978 29.700 0.152 0.000 1.313 838 E HN 0.741 nan 8.360 nan 0.000 0.456 839 D N 0.527 120.978 120.400 0.084 0.000 2.784 839 D HA 0.464 5.103 4.640 -0.001 0.000 0.256 839 D C 0.863 177.192 176.300 0.047 0.000 1.129 839 D CA -0.192 53.849 54.000 0.069 0.000 1.102 839 D CB 0.014 40.846 40.800 0.054 0.000 1.330 839 D HN 0.448 nan 8.370 nan 0.000 0.626 840 A N -0.766 122.075 122.820 0.035 0.000 2.019 840 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 840 A C 1.478 179.066 177.584 0.005 0.000 1.164 840 A CA 1.457 53.507 52.037 0.021 0.000 0.644 840 A CB -0.712 18.299 19.000 0.018 0.000 0.805 840 A HN 0.508 nan 8.150 nan 0.000 0.449 841 N N -1.680 117.023 118.700 0.004 0.000 2.397 841 N HA 0.070 4.809 4.740 -0.001 0.000 0.190 841 N C -0.408 175.090 175.510 -0.020 0.000 1.099 841 N CA 0.726 53.771 53.050 -0.009 0.000 0.876 841 N CB 0.642 39.125 38.487 -0.006 0.000 1.143 841 N HN 0.299 nan 8.380 nan 0.000 0.468 842 T N 0.542 115.089 114.554 -0.011 0.000 2.893 842 T HA 0.460 4.810 4.350 -0.001 0.000 0.293 842 T C -0.599 174.092 174.700 -0.015 0.000 1.027 842 T CA -0.656 61.432 62.100 -0.021 0.000 0.988 842 T CB 2.879 71.740 68.868 -0.012 0.000 1.043 842 T HN -0.040 nan 8.240 nan 0.000 0.461 843 R N 1.859 122.333 120.500 -0.044 0.000 2.686 843 R HA 0.731 5.070 4.340 -0.001 0.000 0.283 843 R C -1.989 174.286 176.300 -0.042 0.000 0.978 843 R CA -0.898 55.177 56.100 -0.041 0.000 0.897 843 R CB 1.330 31.539 30.300 -0.151 0.000 1.192 843 R HN 0.459 nan 8.270 nan 0.000 0.457 844 L N 2.646 123.875 121.223 0.010 0.000 2.349 844 L HA 0.502 4.842 4.340 -0.001 0.000 0.278 844 L C -1.321 175.589 176.870 0.067 0.000 0.996 844 L CA 0.085 54.926 54.840 0.001 0.000 0.825 844 L CB 2.251 44.300 42.059 -0.017 0.000 1.243 844 L HN 0.645 nan 8.230 nan 0.000 0.412 845 T N 5.644 120.217 114.554 0.031 0.000 2.807 845 T HA 0.561 4.911 4.350 -0.001 0.000 0.279 845 T C -1.052 173.714 174.700 0.109 0.000 0.993 845 T CA -0.281 61.878 62.100 0.099 0.000 0.970 845 T CB 1.424 70.277 68.868 -0.025 0.000 0.950 845 T HN 0.449 nan 8.240 nan 0.000 0.441 846 L N 5.096 126.421 121.223 0.170 0.000 2.298 846 L HA 0.523 4.862 4.340 -0.001 0.000 0.284 846 L C -1.251 175.767 176.870 0.246 0.000 1.013 846 L CA -0.713 54.238 54.840 0.186 0.000 0.824 846 L CB 0.515 42.669 42.059 0.157 0.000 1.221 846 L HN 0.412 nan 8.230 nan 0.000 0.418 847 L N 3.859 125.227 121.223 0.241 0.000 2.325 847 L HA 0.628 4.968 4.340 -0.001 0.000 0.279 847 L C 0.540 177.555 176.870 0.242 0.000 1.054 847 L CA -0.232 54.747 54.840 0.232 0.000 0.804 847 L CB 1.353 43.516 42.059 0.173 0.000 1.200 847 L HN 0.760 nan 8.230 nan 0.000 0.436 848 T N -2.322 112.329 114.554 0.161 0.000 2.887 848 T HA 0.600 4.950 4.350 -0.001 0.000 0.288 848 T C 0.698 175.361 174.700 -0.063 0.000 1.021 848 T CA -0.311 61.802 62.100 0.021 0.000 1.000 848 T CB 1.919 70.805 68.868 0.030 0.000 1.034 848 T HN 0.678 nan 8.240 nan 0.000 0.467 849 G N 1.340 110.030 108.800 -0.182 0.000 3.284 849 G HA2 0.404 4.364 3.960 -0.001 0.000 0.236 849 G HA3 0.404 4.364 3.960 -0.001 0.000 0.236 849 G C 0.206 175.041 174.900 -0.107 0.000 1.158 849 G CA -0.272 44.750 45.100 -0.129 0.000 0.774 849 G HN 0.965 nan 8.290 nan 0.000 0.545 850 Q N -0.217 119.516 119.800 -0.112 0.000 2.479 850 Q HA 0.318 4.658 4.340 -0.001 0.000 0.276 850 Q C -3.535 172.429 176.000 -0.059 0.000 0.989 850 Q CA -2.303 53.460 55.803 -0.066 0.000 0.864 850 Q CB 1.847 30.562 28.738 -0.037 0.000 1.444 850 Q HN -0.012 nan 8.270 nan 0.000 0.388 851 P HA 0.496 nan 4.420 nan 0.000 0.281 851 P C -0.697 176.592 177.300 -0.017 0.000 1.252 851 P CA -0.195 62.889 63.100 -0.025 0.000 0.778 851 P CB 1.054 32.746 31.700 -0.013 0.000 0.895 852 L N 1.481 122.688 121.223 -0.026 0.000 2.491 852 L HA 0.659 4.998 4.340 -0.001 0.000 0.254 852 L C 0.688 177.577 176.870 0.031 0.000 1.048 852 L CA -1.130 53.718 54.840 0.013 0.000 0.855 852 L CB 2.121 44.173 42.059 -0.012 0.000 1.466 852 L HN 0.348 nan 8.230 nan 0.000 0.409 853 G N -0.916 107.957 108.800 0.122 0.000 2.425 853 G HA2 0.679 4.638 3.960 -0.001 0.000 0.302 853 G HA3 0.679 4.638 3.960 -0.001 0.000 0.302 853 G C -0.477 174.441 174.900 0.031 0.000 1.159 853 G CA 0.136 45.357 45.100 0.202 0.000 0.865 853 G HN 0.876 nan 8.290 nan 0.000 0.515 854 G N -1.423 107.212 108.800 -0.274 0.000 2.550 854 G HA2 0.683 4.642 3.960 -0.001 0.000 0.293 854 G HA3 0.683 4.642 3.960 -0.001 0.000 0.293 854 G C -1.168 173.287 174.900 -0.741 0.000 1.402 854 G CA 0.448 45.193 45.100 -0.591 0.000 0.784 854 G HN 1.300 nan 8.290 nan 0.000 0.482 855 S N -1.940 113.393 115.700 -0.612 0.000 2.683 855 S HA 0.711 5.180 4.470 -0.001 0.000 0.269 855 S C -1.575 172.592 174.600 -0.721 0.000 1.165 855 S CA 0.362 58.206 58.200 -0.594 0.000 0.840 855 S CB 1.256 64.173 63.200 -0.472 0.000 1.169 855 S HN 1.580 nan 8.310 nan 0.000 0.490 856 S N 1.660 116.650 115.700 -1.183 0.000 2.664 856 S HA 0.473 4.943 4.470 -0.001 0.000 0.262 856 S C 0.176 174.528 174.600 -0.413 0.000 1.229 856 S CA -0.633 57.122 58.200 -0.743 0.000 1.151 856 S CB -0.095 62.600 63.200 -0.842 0.000 1.054 856 S HN 0.571 nan 8.310 nan 0.000 0.483 857 L N 3.073 124.192 121.223 -0.173 0.000 2.591 857 L HA 0.481 4.821 4.340 -0.001 0.000 0.228 857 L C 0.866 177.725 176.870 -0.018 0.000 1.133 857 L CA 0.271 55.086 54.840 -0.041 0.000 0.880 857 L CB -0.060 42.033 42.059 0.057 0.000 1.033 857 L HN 0.695 nan 8.230 nan 0.000 0.450 858 A N -1.247 121.550 122.820 -0.039 0.000 2.604 858 A HA 0.443 4.763 4.320 -0.001 0.000 0.295 858 A C -0.423 177.153 177.584 -0.013 0.000 1.067 858 A CA -0.457 51.573 52.037 -0.012 0.000 0.683 858 A CB 1.162 20.159 19.000 -0.006 0.000 1.281 858 A HN -0.142 nan 8.150 nan 0.000 0.407 859 S N -0.055 115.650 115.700 0.008 0.000 2.573 859 S HA 0.390 4.860 4.470 -0.001 0.000 0.297 859 S C 1.561 176.171 174.600 0.018 0.000 1.280 859 S CA 1.982 60.195 58.200 0.020 0.000 1.061 859 S CB -0.044 63.171 63.200 0.024 0.000 0.812 859 S HN 2.666 nan 8.310 nan 0.000 0.500 860 G N 3.384 112.200 108.800 0.027 0.000 2.179 860 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.260 860 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.260 860 G C -0.159 174.737 174.900 -0.005 0.000 0.977 860 G CA 0.524 45.641 45.100 0.029 0.000 0.641 860 G HN 0.724 nan 8.290 nan 0.000 0.533 861 E N -0.504 119.678 120.200 -0.031 0.000 2.212 861 E HA 0.776 5.126 4.350 -0.001 0.000 0.270 861 E C -0.203 176.338 176.600 -0.098 0.000 0.956 861 E CA -0.758 55.604 56.400 -0.064 0.000 0.825 861 E CB 1.863 31.524 29.700 -0.064 0.000 1.167 861 E HN 0.236 nan 8.360 nan 0.000 0.400 862 L N 1.631 122.793 121.223 -0.101 0.000 2.388 862 L HA 0.493 4.832 4.340 -0.001 0.000 0.264 862 L C -0.621 176.187 176.870 -0.102 0.000 0.998 862 L CA -0.636 54.134 54.840 -0.116 0.000 0.817 862 L CB 2.040 44.062 42.059 -0.062 0.000 1.338 862 L HN 0.676 nan 8.230 nan 0.000 0.414 863 E N 2.603 122.735 120.200 -0.114 0.000 2.392 863 E HA 0.686 5.035 4.350 -0.001 0.000 0.279 863 E C -1.565 174.996 176.600 -0.064 0.000 0.964 863 E CA -0.838 55.529 56.400 -0.055 0.000 0.777 863 E CB 3.298 33.010 29.700 0.020 0.000 1.249 863 E HN 0.526 nan 8.360 nan 0.000 0.449 864 I N 2.122 122.692 120.570 0.002 0.000 2.610 864 I HA 0.321 4.491 4.170 -0.001 0.000 0.289 864 I C -1.374 174.812 176.117 0.115 0.000 1.163 864 I CA -1.106 60.215 61.300 0.034 0.000 1.044 864 I CB 1.925 39.950 38.000 0.041 0.000 1.251 864 I HN 0.784 nan 8.210 nan 0.000 0.424 865 M N 6.261 125.965 119.600 0.172 0.000 2.238 865 M HA 0.202 4.682 4.480 -0.001 0.000 0.347 865 M C 0.590 176.992 176.300 0.170 0.000 1.173 865 M CA 0.689 56.100 55.300 0.184 0.000 1.147 865 M CB 0.870 33.555 32.600 0.142 0.000 1.547 865 M HN 0.584 nan 8.290 nan 0.000 0.455 866 Q N 1.371 121.306 119.800 0.226 0.000 2.287 866 Q HA 0.259 4.599 4.340 -0.001 0.000 0.201 866 Q C -0.255 175.954 176.000 0.349 0.000 0.946 866 Q CA 0.816 56.818 55.803 0.331 0.000 0.868 866 Q CB 0.382 29.348 28.738 0.380 0.000 0.967 866 Q HN 0.765 nan 8.270 nan 0.000 0.516 867 D N -0.879 119.659 120.400 0.231 0.000 2.671 867 D HA 0.319 4.959 4.640 -0.001 0.000 0.273 867 D C -1.418 174.958 176.300 0.126 0.000 1.264 867 D CA -0.492 53.620 54.000 0.188 0.000 0.788 867 D CB 1.502 42.404 40.800 0.170 0.000 1.324 867 D HN 0.041 nan 8.370 nan 0.000 0.424 868 R N 0.701 121.265 120.500 0.106 0.000 2.566 868 R HA 0.678 5.018 4.340 -0.001 0.000 0.271 868 R C -1.119 175.229 176.300 0.081 0.000 1.071 868 R CA -1.057 55.089 56.100 0.077 0.000 0.915 868 R CB 2.063 32.381 30.300 0.029 0.000 1.228 868 R HN 0.328 nan 8.270 nan 0.000 0.449 869 R N 3.606 124.151 120.500 0.075 0.000 2.483 869 R HA 0.488 4.827 4.340 -0.001 0.000 0.303 869 R C -1.535 174.803 176.300 0.064 0.000 0.987 869 R CA -0.578 55.563 56.100 0.068 0.000 0.881 869 R CB 1.332 31.669 30.300 0.062 0.000 1.177 869 R HN 0.716 nan 8.270 nan 0.000 0.451 870 L N 3.855 125.115 121.223 0.060 0.000 2.409 870 L HA 0.527 4.867 4.340 -0.001 0.000 0.272 870 L C 0.666 177.566 176.870 0.049 0.000 0.980 870 L CA -0.550 54.323 54.840 0.056 0.000 0.826 870 L CB 2.188 44.281 42.059 0.057 0.000 1.268 870 L HN 0.812 nan 8.230 nan 0.000 0.407 871 A N 1.494 124.340 122.820 0.044 0.000 2.072 871 A HA 0.169 4.489 4.320 -0.001 0.000 0.216 871 A C 0.930 178.535 177.584 0.035 0.000 1.156 871 A CA 0.616 52.675 52.037 0.038 0.000 0.701 871 A CB 0.031 19.051 19.000 0.033 0.000 0.816 871 A HN 0.603 nan 8.150 nan 0.000 0.458 872 S N -0.024 115.697 115.700 0.035 0.000 2.608 872 S HA 0.408 4.877 4.470 -0.001 0.000 0.291 872 S C -0.618 174.004 174.600 0.037 0.000 1.146 872 S CA -0.648 57.571 58.200 0.031 0.000 1.043 872 S CB 1.457 64.671 63.200 0.023 0.000 1.037 872 S HN 0.492 nan 8.310 nan 0.000 0.520 873 D N 0.406 120.828 120.400 0.037 0.000 2.341 873 D HA 0.196 4.836 4.640 -0.001 0.000 0.245 873 D C -0.089 176.231 176.300 0.035 0.000 1.106 873 D CA -0.375 53.655 54.000 0.050 0.000 0.905 873 D CB 0.670 41.498 40.800 0.046 0.000 1.202 873 D HN 0.495 nan 8.370 nan 0.000 0.426 874 D N 2.141 122.566 120.400 0.042 0.000 2.525 874 D HA 0.063 4.703 4.640 -0.001 0.000 0.229 874 D C -0.331 175.933 176.300 -0.060 0.000 1.202 874 D CA -0.277 53.716 54.000 -0.013 0.000 0.828 874 D CB -0.385 40.398 40.800 -0.028 0.000 1.008 874 D HN 0.674 nan 8.370 nan 0.000 0.493 875 E N -0.274 119.914 120.200 -0.020 0.000 2.791 875 E HA -0.213 4.137 4.350 -0.001 0.000 0.271 875 E C 0.226 176.788 176.600 -0.063 0.000 1.044 875 E CA 0.216 56.599 56.400 -0.028 0.000 0.814 875 E CB -0.739 28.941 29.700 -0.033 0.000 1.400 875 E HN 0.240 nan 8.360 nan 0.000 0.423 876 R N -0.548 119.883 120.500 -0.115 0.000 2.509 876 R HA 0.215 4.554 4.340 -0.001 0.000 0.300 876 R C 1.368 177.726 176.300 0.097 0.000 0.985 876 R CA 0.667 56.628 56.100 -0.231 0.000 1.092 876 R CB 0.986 30.701 30.300 -0.975 0.000 1.237 876 R HN 0.396 nan 8.270 nan 0.000 0.546 877 G N 0.863 109.794 108.800 0.218 0.000 2.195 877 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.224 877 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.224 877 G C 0.740 175.769 174.900 0.214 0.000 0.990 877 G CA 0.258 45.570 45.100 0.352 0.000 0.639 877 G HN 0.309 nan 8.290 nan 0.000 0.514 878 L N 1.356 122.791 121.223 0.354 0.000 2.109 878 L HA 0.459 4.798 4.340 -0.001 0.000 0.207 878 L C 2.198 179.069 176.870 0.002 0.000 1.086 878 L CA 2.709 57.648 54.840 0.165 0.000 0.760 878 L CB -0.549 41.761 42.059 0.419 0.000 0.910 878 L HN 1.699 nan 8.230 nan 0.000 0.437 879 G N -0.456 108.375 108.800 0.051 0.000 2.160 879 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.251 879 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.251 879 G C 0.068 174.981 174.900 0.022 0.000 1.008 879 G CA 0.632 45.742 45.100 0.017 0.000 0.724 879 G HN 0.792 nan 8.290 nan 0.000 0.514 880 Q N -2.074 117.754 119.800 0.048 0.000 2.633 880 Q HA 0.679 5.018 4.340 -0.001 0.000 0.289 880 Q C 0.400 176.436 176.000 0.059 0.000 0.940 880 Q CA -0.622 55.208 55.803 0.045 0.000 0.785 880 Q CB 0.449 29.211 28.738 0.040 0.000 1.467 880 Q HN 0.941 nan 8.270 nan 0.000 0.401 881 G N 0.014 108.844 108.800 0.051 0.000 2.531 881 G HA2 0.512 4.472 3.960 -0.001 0.000 0.253 881 G HA3 0.512 4.472 3.960 -0.001 0.000 0.253 881 G C -0.959 173.977 174.900 0.059 0.000 1.439 881 G CA -0.634 44.498 45.100 0.054 0.000 1.056 881 G HN 0.397 nan 8.290 nan 0.000 0.555 882 V N 0.840 120.790 119.914 0.060 0.000 2.305 882 V HA 0.342 4.462 4.120 -0.001 0.000 0.275 882 V C 0.074 176.209 176.094 0.067 0.000 1.020 882 V CA -0.166 62.175 62.300 0.069 0.000 0.811 882 V CB 0.950 32.817 31.823 0.073 0.000 1.031 882 V HN 0.547 nan 8.190 nan 0.000 0.439 883 L N 3.261 124.522 121.223 0.064 0.000 3.229 883 L HA 0.315 4.654 4.340 -0.001 0.000 0.286 883 L C 0.627 177.531 176.870 0.056 0.000 1.239 883 L CA 0.032 54.906 54.840 0.055 0.000 1.035 883 L CB 0.727 42.813 42.059 0.045 0.000 1.408 883 L HN 0.670 nan 8.230 nan 0.000 0.593 884 D N -1.960 118.482 120.400 0.070 0.000 2.525 884 D HA 0.053 4.692 4.640 -0.001 0.000 0.229 884 D C 0.137 176.485 176.300 0.080 0.000 1.202 884 D CA -0.451 53.591 54.000 0.071 0.000 0.828 884 D CB -0.419 40.431 40.800 0.083 0.000 1.008 884 D HN 0.082 nan 8.370 nan 0.000 0.493 885 N N 1.651 120.396 118.700 0.075 0.000 2.395 885 N HA 0.105 4.845 4.740 -0.001 0.000 0.246 885 N C 0.202 175.731 175.510 0.031 0.000 1.246 885 N CA 0.354 53.448 53.050 0.074 0.000 0.879 885 N CB 0.659 39.186 38.487 0.067 0.000 1.098 885 N HN 0.325 nan 8.380 nan 0.000 0.444 886 K N -0.423 119.983 120.400 0.010 0.000 2.512 886 K HA 0.556 4.876 4.320 -0.001 0.000 0.263 886 K C -3.258 173.321 176.600 -0.035 0.000 0.966 886 K CA -2.017 54.233 56.287 -0.063 0.000 0.851 886 K CB 1.262 33.643 32.500 -0.198 0.000 1.395 886 K HN 0.122 nan 8.250 nan 0.000 0.440 887 P HA -0.004 nan 4.420 nan 0.000 0.265 887 P C -1.028 176.296 177.300 0.039 0.000 1.193 887 P CA -0.435 62.650 63.100 -0.025 0.000 0.765 887 P CB 0.781 32.456 31.700 -0.043 0.000 0.823 888 V N 5.069 124.973 119.914 -0.017 0.000 2.841 888 V HA 0.488 4.607 4.120 -0.001 0.000 0.310 888 V C -1.334 174.637 176.094 -0.204 0.000 1.090 888 V CA -1.108 61.161 62.300 -0.052 0.000 0.930 888 V CB 2.140 33.907 31.823 -0.094 0.000 1.014 888 V HN 0.281 nan 8.190 nan 0.000 0.425 889 L N 6.840 127.967 121.223 -0.160 0.000 2.272 889 L HA 0.592 4.932 4.340 -0.001 0.000 0.284 889 L C -0.354 176.492 176.870 -0.039 0.000 1.045 889 L CA 0.104 54.881 54.840 -0.105 0.000 0.842 889 L CB 0.328 42.347 42.059 -0.065 0.000 1.224 889 L HN 0.704 nan 8.230 nan 0.000 0.430 890 H N 5.624 124.711 119.070 0.029 0.000 2.582 890 H HA 0.476 5.031 4.556 -0.001 0.000 0.345 890 H C -0.082 175.147 175.328 -0.164 0.000 1.104 890 H CA -0.133 55.876 56.048 -0.064 0.000 1.390 890 H CB 1.181 30.976 29.762 0.056 0.000 1.461 890 H HN 0.694 nan 8.280 nan 0.000 0.551 891 I N 0.170 120.573 120.570 -0.278 0.000 2.689 891 I HA 0.612 4.782 4.170 -0.001 0.000 0.299 891 I C -1.430 174.343 176.117 -0.573 0.000 1.059 891 I CA -0.953 60.199 61.300 -0.247 0.000 1.055 891 I CB 2.172 40.118 38.000 -0.090 0.000 1.243 891 I HN 0.246 nan 8.210 nan 0.000 0.425 892 Y N 2.436 122.781 120.300 0.076 0.000 2.638 892 Y HA 0.695 5.244 4.550 -0.001 0.000 0.335 892 Y C -0.630 175.320 175.900 0.084 0.000 1.155 892 Y CA -1.085 57.068 58.100 0.088 0.000 1.046 892 Y CB 1.570 40.104 38.460 0.124 0.000 1.303 892 Y HN 0.422 nan 8.280 nan 0.000 0.460 893 R N 1.352 122.012 120.500 0.268 0.000 2.686 893 R HA 0.610 4.950 4.340 -0.001 0.000 0.286 893 R C -1.941 174.473 176.300 0.190 0.000 0.969 893 R CA -1.145 55.065 56.100 0.184 0.000 0.898 893 R CB 2.598 32.965 30.300 0.112 0.000 1.183 893 R HN 0.647 nan 8.270 nan 0.000 0.456 894 L N 2.525 123.840 121.223 0.155 0.000 2.316 894 L HA 0.427 4.766 4.340 -0.001 0.000 0.280 894 L C -1.242 175.659 176.870 0.051 0.000 1.006 894 L CA -0.561 54.347 54.840 0.113 0.000 0.836 894 L CB 1.769 43.911 42.059 0.139 0.000 1.221 894 L HN 0.301 nan 8.230 nan 0.000 0.418 895 V N 6.137 126.065 119.914 0.023 0.000 2.350 895 V HA 0.416 4.535 4.120 -0.001 0.000 0.285 895 V C -0.341 175.729 176.094 -0.041 0.000 1.014 895 V CA -0.589 61.703 62.300 -0.012 0.000 0.831 895 V CB 1.415 33.223 31.823 -0.024 0.000 1.000 895 V HN 0.632 nan 8.190 nan 0.000 0.433 896 L N 5.568 126.762 121.223 -0.049 0.000 2.282 896 L HA 0.703 5.042 4.340 -0.001 0.000 0.288 896 L C -0.173 176.657 176.870 -0.067 0.000 1.033 896 L CA 0.607 55.410 54.840 -0.062 0.000 0.807 896 L CB 1.134 43.152 42.059 -0.068 0.000 1.209 896 L HN 0.751 nan 8.230 nan 0.000 0.423 897 E N 3.535 123.688 120.200 -0.078 0.000 2.383 897 E HA 0.449 4.798 4.350 -0.001 0.000 0.275 897 E C -1.284 175.270 176.600 -0.078 0.000 0.918 897 E CA -1.205 55.146 56.400 -0.082 0.000 0.764 897 E CB 1.468 31.104 29.700 -0.107 0.000 1.252 897 E HN 0.232 nan 8.360 nan 0.000 0.449 898 K N 1.382 121.740 120.400 -0.070 0.000 2.276 898 K HA 0.196 4.515 4.320 -0.001 0.000 0.283 898 K C 0.348 176.904 176.600 -0.073 0.000 1.044 898 K CA -0.169 56.081 56.287 -0.062 0.000 0.944 898 K CB 1.233 33.702 32.500 -0.053 0.000 1.012 898 K HN 0.489 nan 8.250 nan 0.000 0.472 899 V N -0.325 119.547 119.914 -0.070 0.000 3.253 899 V HA 0.034 4.154 4.120 -0.001 0.000 0.320 899 V C 1.157 177.216 176.094 -0.059 0.000 1.442 899 V CA -0.312 61.939 62.300 -0.081 0.000 1.097 899 V CB -0.267 31.492 31.823 -0.107 0.000 1.008 899 V HN 0.607 nan 8.190 nan 0.000 0.463 900 N N 1.862 120.536 118.700 -0.044 0.000 2.364 900 N HA -0.196 4.543 4.740 -0.001 0.000 0.183 900 N C 1.051 176.539 175.510 -0.035 0.000 1.022 900 N CA 1.961 54.992 53.050 -0.032 0.000 0.883 900 N CB -0.550 37.922 38.487 -0.025 0.000 0.965 900 N HN 0.714 nan 8.380 nan 0.000 0.438 901 N N -0.634 118.040 118.700 -0.044 0.000 2.280 901 N HA 0.133 4.872 4.740 -0.001 0.000 0.192 901 N C -0.413 175.065 175.510 -0.053 0.000 1.109 901 N CA -0.290 52.734 53.050 -0.044 0.000 0.855 901 N CB 0.387 38.847 38.487 -0.045 0.000 0.974 901 N HN 0.134 nan 8.380 nan 0.000 0.482 902 c N 1.273 119.835 118.600 -0.063 0.000 2.601 902 c HA 0.216 4.786 4.570 -0.001 0.000 0.409 902 c C 0.922 174.973 174.090 -0.065 0.000 1.293 902 c CA -0.981 55.303 56.329 -0.075 0.000 2.101 902 c CB 0.382 42.833 42.510 -0.098 0.000 2.639 902 c HN 0.069 nan 8.230 nan 0.000 0.592 903 V N 5.728 125.600 119.914 -0.070 0.000 2.370 903 V HA 0.208 4.327 4.120 -0.001 0.000 0.257 903 V C 0.641 176.696 176.094 -0.065 0.000 1.064 903 V CA 0.407 62.670 62.300 -0.062 0.000 0.975 903 V CB -0.658 31.123 31.823 -0.069 0.000 1.067 903 V HN 0.794 nan 8.190 nan 0.000 0.485 904 R N 4.578 125.053 120.500 -0.043 0.000 2.758 904 R HA 0.551 4.890 4.340 -0.001 0.000 0.265 904 R C -2.449 173.845 176.300 -0.011 0.000 1.016 904 R CA -1.868 54.215 56.100 -0.028 0.000 1.040 904 R CB 1.183 31.470 30.300 -0.021 0.000 1.152 904 R HN 0.394 nan 8.270 nan 0.000 0.503 905 P HA -0.036 nan 4.420 nan 0.000 0.271 905 P C -0.401 176.938 177.300 0.065 0.000 1.233 905 P CA -0.207 62.880 63.100 -0.022 0.000 0.789 905 P CB 0.562 32.175 31.700 -0.145 0.000 0.951 906 S N 0.700 116.466 115.700 0.111 0.000 2.596 906 S HA 0.101 4.570 4.470 -0.001 0.000 0.260 906 S C 1.074 175.755 174.600 0.135 0.000 1.336 906 S CA -0.207 58.059 58.200 0.111 0.000 0.993 906 S CB 0.331 63.597 63.200 0.110 0.000 0.923 906 S HN 0.302 nan 8.310 nan 0.000 0.567 907 K N 0.224 120.685 120.400 0.101 0.000 2.211 907 K HA 0.012 4.331 4.320 -0.001 0.000 0.204 907 K C 1.416 178.072 176.600 0.093 0.000 1.047 907 K CA 1.287 57.631 56.287 0.094 0.000 0.935 907 K CB -0.555 31.984 32.500 0.065 0.000 0.728 907 K HN 0.552 nan 8.250 nan 0.000 0.452 908 L N -0.091 121.189 121.223 0.096 0.000 2.592 908 L HA 0.055 4.395 4.340 -0.001 0.000 0.227 908 L C 0.989 177.912 176.870 0.087 0.000 1.127 908 L CA -0.271 54.610 54.840 0.068 0.000 0.884 908 L CB -0.200 41.883 42.059 0.041 0.000 1.065 908 L HN 0.238 nan 8.230 nan 0.000 0.457 909 H N 2.716 121.824 119.070 0.063 0.000 2.764 909 H HA 0.091 4.646 4.556 -0.001 0.000 0.341 909 H C -1.689 173.680 175.328 0.069 0.000 1.072 909 H CA -1.282 54.816 56.048 0.084 0.000 1.444 909 H CB 1.844 31.683 29.762 0.129 0.000 1.458 909 H HN -0.082 nan 8.280 nan 0.000 0.572 910 P HA 0.141 nan 4.420 nan 0.000 0.249 910 P C -0.394 177.017 177.300 0.184 0.000 1.229 910 P CA 0.191 63.329 63.100 0.063 0.000 0.788 910 P CB 0.510 32.170 31.700 -0.065 0.000 1.072 911 A N -0.320 122.781 122.820 0.468 0.000 2.299 911 A HA 0.754 5.074 4.320 -0.001 0.000 0.332 911 A C 0.266 177.922 177.584 0.119 0.000 1.131 911 A CA -0.320 51.859 52.037 0.237 0.000 0.844 911 A CB 1.054 20.182 19.000 0.212 0.000 1.251 911 A HN 0.159 nan 8.150 nan 0.000 0.486 912 G N -1.433 107.309 108.800 -0.098 0.000 2.658 912 G HA2 0.638 4.597 3.960 -0.001 0.000 0.292 912 G HA3 0.638 4.597 3.960 -0.001 0.000 0.292 912 G C -1.759 172.765 174.900 -0.626 0.000 1.320 912 G CA -0.430 44.512 45.100 -0.264 0.000 0.933 912 G HN 0.554 nan 8.290 nan 0.000 0.476 913 Y N -0.876 119.388 120.300 -0.060 0.000 2.534 913 Y HA 0.480 5.029 4.550 -0.001 0.000 0.345 913 Y C 0.335 176.000 175.900 -0.391 0.000 1.031 913 Y CA -0.913 57.087 58.100 -0.168 0.000 1.022 913 Y CB 2.165 40.518 38.460 -0.177 0.000 1.292 913 Y HN 0.323 nan 8.280 nan 0.000 0.459 914 L N 2.005 123.066 121.223 -0.270 0.000 2.466 914 L HA 0.378 4.718 4.340 -0.001 0.000 0.257 914 L C 0.676 177.396 176.870 -0.249 0.000 1.189 914 L CA -0.559 54.042 54.840 -0.398 0.000 0.813 914 L CB 0.909 42.813 42.059 -0.259 0.000 1.118 914 L HN 0.779 nan 8.230 nan 0.000 0.471 915 T N -2.631 111.766 114.554 -0.262 0.000 2.816 915 T HA 0.048 4.398 4.350 -0.001 0.000 0.282 915 T C 1.157 175.805 174.700 -0.086 0.000 0.993 915 T CA -0.149 61.848 62.100 -0.172 0.000 0.994 915 T CB 1.487 70.249 68.868 -0.176 0.000 1.025 915 T HN 0.625 nan 8.240 nan 0.000 0.529 916 S N 0.673 116.336 115.700 -0.061 0.000 2.374 916 S HA -0.160 4.309 4.470 -0.001 0.000 0.227 916 S C 2.322 176.933 174.600 0.017 0.000 1.037 916 S CA 1.520 59.717 58.200 -0.004 0.000 1.024 916 S CB -1.231 61.951 63.200 -0.029 0.000 0.861 916 S HN 0.935 nan 8.310 nan 0.000 0.456 917 A N 1.136 123.942 122.820 -0.023 0.000 1.930 917 A HA 0.279 4.598 4.320 -0.001 0.000 0.217 917 A C 2.477 180.056 177.584 -0.008 0.000 1.175 917 A CA 1.772 53.799 52.037 -0.017 0.000 0.627 917 A CB -1.319 17.660 19.000 -0.034 0.000 0.815 917 A HN 0.811 nan 8.150 nan 0.000 0.443 918 A N -1.305 121.497 122.820 -0.030 0.000 1.930 918 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 918 A C 2.115 179.729 177.584 0.051 0.000 1.175 918 A CA 1.607 53.631 52.037 -0.021 0.000 0.627 918 A CB -0.918 18.014 19.000 -0.114 0.000 0.815 918 A HN 0.778 nan 8.150 nan 0.000 0.443 919 H N -0.022 119.035 119.070 -0.021 0.000 2.326 919 H HA -0.053 4.503 4.556 -0.001 0.000 0.301 919 H C 1.872 177.236 175.328 0.060 0.000 1.081 919 H CA 1.791 57.864 56.048 0.041 0.000 1.334 919 H CB -0.051 29.730 29.762 0.031 0.000 1.385 919 H HN 0.432 nan 8.280 nan 0.000 0.504 920 K N 0.241 120.604 120.400 -0.061 0.000 2.103 920 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 920 K C 2.390 178.955 176.600 -0.060 0.000 1.048 920 K CA 0.963 57.196 56.287 -0.090 0.000 0.930 920 K CB -0.071 32.422 32.500 -0.011 0.000 0.716 920 K HN 0.279 nan 8.250 nan 0.000 0.444 921 A N 0.790 123.599 122.820 -0.018 0.000 1.902 921 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 921 A C 2.200 179.787 177.584 0.004 0.000 1.181 921 A CA 2.034 54.074 52.037 0.004 0.000 0.623 921 A CB -0.640 18.378 19.000 0.029 0.000 0.818 921 A HN 0.290 nan 8.150 nan 0.000 0.443 922 S N -0.639 115.068 115.700 0.011 0.000 2.368 922 S HA -0.233 4.236 4.470 -0.001 0.000 0.225 922 S C 2.132 176.717 174.600 -0.025 0.000 1.030 922 S CA 1.690 59.912 58.200 0.036 0.000 0.999 922 S CB -0.419 62.852 63.200 0.117 0.000 0.844 922 S HN 0.675 nan 8.310 nan 0.000 0.459 923 Q N 0.665 120.405 119.800 -0.101 0.000 2.170 923 Q HA -0.097 4.242 4.340 -0.001 0.000 0.203 923 Q C 2.491 178.438 176.000 -0.088 0.000 0.976 923 Q CA 1.693 57.435 55.803 -0.101 0.000 0.858 923 Q CB -0.334 28.323 28.738 -0.135 0.000 0.907 923 Q HN 0.816 nan 8.270 nan 0.000 0.433 924 S N 0.229 115.888 115.700 -0.068 0.000 2.423 924 S HA -0.080 4.389 4.470 -0.001 0.000 0.231 924 S C 1.851 176.393 174.600 -0.097 0.000 1.014 924 S CA 0.672 58.830 58.200 -0.071 0.000 0.965 924 S CB -0.221 62.957 63.200 -0.036 0.000 0.785 924 S HN 0.282 nan 8.310 nan 0.000 0.495 925 L N 0.029 121.203 121.223 -0.081 0.000 2.102 925 L HA 0.217 4.556 4.340 -0.001 0.000 0.202 925 L C 2.525 179.307 176.870 -0.147 0.000 1.076 925 L CA 0.767 55.551 54.840 -0.093 0.000 0.761 925 L CB -0.373 41.656 42.059 -0.051 0.000 0.921 925 L HN 0.283 nan 8.230 nan 0.000 0.444 926 L N -1.203 119.937 121.223 -0.138 0.000 2.249 926 L HA 0.027 4.366 4.340 -0.001 0.000 0.207 926 L C 0.173 176.875 176.870 -0.281 0.000 1.090 926 L CA 0.783 55.518 54.840 -0.174 0.000 0.802 926 L CB 0.109 42.102 42.059 -0.111 0.000 0.947 926 L HN 0.204 nan 8.230 nan 0.000 0.453 927 D N 0.278 120.505 120.400 -0.288 0.000 2.656 927 D HA 0.229 4.868 4.640 -0.001 0.000 0.303 927 D C -2.349 173.706 176.300 -0.409 0.000 1.199 927 D CA -0.977 52.780 54.000 -0.406 0.000 0.797 927 D CB 1.326 42.089 40.800 -0.062 0.000 1.170 927 D HN 0.051 nan 8.370 nan 0.000 0.509 928 P HA 0.113 nan 4.420 nan 0.000 0.273 928 P C 0.581 177.741 177.300 -0.233 0.000 1.250 928 P CA -0.488 62.425 63.100 -0.311 0.000 0.793 928 P CB 1.511 33.033 31.700 -0.297 0.000 1.011 929 L N 0.871 122.027 121.223 -0.112 0.000 2.514 929 L HA 0.070 4.409 4.340 -0.001 0.000 0.280 929 L C 0.935 177.821 176.870 0.027 0.000 1.223 929 L CA 0.436 55.267 54.840 -0.015 0.000 0.864 929 L CB -0.347 41.718 42.059 0.010 0.000 1.118 929 L HN 0.286 nan 8.230 nan 0.000 0.494 930 D N 3.332 123.839 120.400 0.178 0.000 2.264 930 D HA 0.327 4.967 4.640 -0.001 0.000 0.249 930 D C -0.315 176.051 176.300 0.111 0.000 1.070 930 D CA -0.277 53.819 54.000 0.160 0.000 0.912 930 D CB 1.628 42.621 40.800 0.322 0.000 1.193 930 D HN 0.377 nan 8.370 nan 0.000 0.427 931 K N 1.266 121.612 120.400 -0.091 0.000 2.345 931 K HA 0.472 4.791 4.320 -0.001 0.000 0.255 931 K C -1.056 175.502 176.600 -0.070 0.000 0.934 931 K CA -0.652 55.684 56.287 0.083 0.000 0.801 931 K CB 1.591 34.096 32.500 0.007 0.000 1.137 931 K HN 0.227 nan 8.250 nan 0.000 0.424 932 F N 2.490 122.652 119.950 0.354 0.000 2.540 932 F HA 0.503 5.029 4.527 -0.001 0.000 0.317 932 F C -0.013 176.083 175.800 0.493 0.000 1.104 932 F CA -0.885 57.314 58.000 0.332 0.000 0.913 932 F CB 1.313 40.352 39.000 0.064 0.000 1.170 932 F HN 0.198 nan 8.300 nan 0.000 0.450 933 I N 3.426 124.382 120.570 0.643 0.000 2.362 933 I HA 0.219 4.388 4.170 -0.001 0.000 0.289 933 I C -0.594 175.799 176.117 0.460 0.000 0.994 933 I CA -0.831 60.767 61.300 0.496 0.000 1.158 933 I CB 1.258 39.449 38.000 0.319 0.000 1.315 933 I HN 0.441 nan 8.210 nan 0.000 0.451 934 F N 5.820 125.924 119.950 0.255 0.000 2.578 934 F HA 0.175 4.701 4.527 -0.001 0.000 0.376 934 F C 1.214 176.930 175.800 -0.139 0.000 1.085 934 F CA 0.140 57.993 58.000 -0.244 0.000 1.260 934 F CB 1.168 40.054 39.000 -0.191 0.000 1.095 934 F HN 0.604 nan 8.300 nan 0.000 0.573 935 A N 4.457 126.699 122.820 -0.964 0.000 1.975 935 A HA 0.044 4.363 4.320 -0.001 0.000 0.215 935 A C 0.949 178.264 177.584 -0.448 0.000 1.170 935 A CA 0.569 52.270 52.037 -0.560 0.000 0.656 935 A CB -0.458 18.207 19.000 -0.559 0.000 0.821 935 A HN 0.797 nan 8.150 nan 0.000 0.449 936 E N -0.537 119.243 120.200 -0.699 0.000 2.359 936 E HA 0.180 4.530 4.350 -0.001 0.000 0.255 936 E C 0.241 176.947 176.600 0.177 0.000 1.191 936 E CA -0.636 55.670 56.400 -0.157 0.000 0.952 936 E CB 0.253 29.922 29.700 -0.051 0.000 1.152 936 E HN 0.202 nan 8.360 nan 0.000 0.496 937 N N 0.468 119.284 118.700 0.193 0.000 2.270 937 N HA -0.077 4.662 4.740 -0.001 0.000 0.181 937 N C -0.306 175.352 175.510 0.247 0.000 1.016 937 N CA 0.907 54.079 53.050 0.204 0.000 0.870 937 N CB 0.216 38.777 38.487 0.123 0.000 0.979 937 N HN 0.427 nan 8.380 nan 0.000 0.431 938 E N -0.672 119.695 120.200 0.278 0.000 2.256 938 E HA 0.117 4.467 4.350 -0.001 0.000 0.268 938 E C -1.552 175.123 176.600 0.125 0.000 0.877 938 E CA -0.719 55.766 56.400 0.140 0.000 0.757 938 E CB 1.181 30.931 29.700 0.084 0.000 1.183 938 E HN 0.007 nan 8.360 nan 0.000 0.418 939 W N 7.881 128.852 121.300 -0.550 0.000 2.295 939 W HA 0.413 5.072 4.660 -0.001 0.000 0.333 939 W C -1.381 174.941 176.519 -0.328 0.000 0.990 939 W CA -1.453 55.422 57.345 -0.783 0.000 1.453 939 W CB -0.149 28.355 29.460 -1.594 0.000 1.263 939 W HN 0.463 nan 8.180 nan 0.000 0.380 940 I N 5.825 126.498 120.570 0.172 0.000 2.496 940 I HA 0.293 4.462 4.170 -0.001 0.000 0.285 940 I C 1.506 177.630 176.117 0.012 0.000 1.080 940 I CA 1.146 62.473 61.300 0.047 0.000 1.404 940 I CB 0.654 38.706 38.000 0.086 0.000 1.403 940 I HN 0.777 nan 8.210 nan 0.000 0.539 941 G N 4.207 112.927 108.800 -0.133 0.000 2.136 941 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.242 941 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.242 941 G C 0.360 175.045 174.900 -0.357 0.000 0.989 941 G CA -0.119 44.888 45.100 -0.154 0.000 0.682 941 G HN 1.012 nan 8.290 nan 0.000 0.522 942 A N -0.415 121.941 122.820 -0.774 0.000 2.498 942 A HA 0.602 4.922 4.320 -0.001 0.000 0.239 942 A C 0.559 177.761 177.584 -0.636 0.000 1.068 942 A CA 0.682 51.938 52.037 -1.302 0.000 0.766 942 A CB 0.296 18.168 19.000 -1.880 0.000 1.003 942 A HN 0.618 nan 8.150 nan 0.000 0.497 943 Q N 0.648 120.159 119.800 -0.481 0.000 2.351 943 Q HA 0.525 4.865 4.340 -0.001 0.000 0.273 943 Q C 1.060 176.957 176.000 -0.171 0.000 1.077 943 Q CA -0.219 55.443 55.803 -0.235 0.000 0.843 943 Q CB 1.890 30.554 28.738 -0.123 0.000 1.367 943 Q HN 0.798 nan 8.270 nan 0.000 0.449 944 G N 0.042 108.771 108.800 -0.118 0.000 2.683 944 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.213 944 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.213 944 G C 0.164 175.035 174.900 -0.048 0.000 1.142 944 G CA 0.519 45.560 45.100 -0.099 0.000 0.793 944 G HN 0.438 nan 8.290 nan 0.000 0.534 945 Q N -1.366 118.424 119.800 -0.018 0.000 2.527 945 Q HA 0.508 4.847 4.340 -0.001 0.000 0.280 945 Q C -2.383 173.635 176.000 0.028 0.000 0.977 945 Q CA -0.916 54.891 55.803 0.006 0.000 0.837 945 Q CB 2.098 30.823 28.738 -0.021 0.000 1.454 945 Q HN 0.048 nan 8.270 nan 0.000 0.387 946 F N 1.316 121.174 119.950 -0.153 0.000 2.569 946 F HA 0.656 5.183 4.527 -0.001 0.000 0.312 946 F C 0.523 176.075 175.800 -0.413 0.000 1.109 946 F CA 0.480 58.322 58.000 -0.262 0.000 0.919 946 F CB 2.078 40.933 39.000 -0.242 0.000 1.211 946 F HN 0.677 nan 8.300 nan 0.000 0.446 947 G N 3.032 110.817 108.800 -1.691 0.000 2.157 947 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.239 947 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.239 947 G C 1.034 175.255 174.900 -1.132 0.000 0.982 947 G CA 0.235 44.093 45.100 -2.070 0.000 0.650 947 G HN 1.565 nan 8.290 nan 0.000 0.527 948 G N 1.143 109.576 108.800 -0.612 0.000 2.470 948 G HA2 0.026 3.985 3.960 -0.001 0.000 0.220 948 G HA3 0.026 3.985 3.960 -0.001 0.000 0.220 948 G C 1.216 176.051 174.900 -0.110 0.000 1.121 948 G CA 1.750 46.720 45.100 -0.216 0.000 0.766 948 G HN 0.829 nan 8.290 nan 0.000 0.553 949 D N -0.777 119.476 120.400 -0.245 0.000 2.340 949 D HA 0.021 4.661 4.640 -0.001 0.000 0.217 949 D C 0.266 176.560 176.300 -0.009 0.000 1.081 949 D CA -0.469 53.478 54.000 -0.089 0.000 0.842 949 D CB -0.856 39.897 40.800 -0.079 0.000 0.934 949 D HN 0.445 nan 8.370 nan 0.000 0.511 950 H N 1.089 120.053 119.070 -0.176 0.000 2.683 950 H HA 0.247 4.802 4.556 -0.001 0.000 0.339 950 H C -1.990 173.304 175.328 -0.056 0.000 1.081 950 H CA -1.817 54.150 56.048 -0.135 0.000 1.432 950 H CB 0.741 30.372 29.762 -0.218 0.000 1.462 950 H HN -0.018 nan 8.280 nan 0.000 0.557 951 P HA -0.061 nan 4.420 nan 0.000 0.268 951 P C -0.622 176.744 177.300 0.110 0.000 1.205 951 P CA 0.080 63.240 63.100 0.099 0.000 0.771 951 P CB 0.724 32.461 31.700 0.063 0.000 0.858 952 S N 1.934 117.731 115.700 0.163 0.000 2.423 952 S HA 0.607 5.077 4.470 -0.001 0.000 0.317 952 S C -0.120 174.593 174.600 0.187 0.000 1.065 952 S CA -0.563 57.764 58.200 0.213 0.000 1.111 952 S CB -0.542 62.891 63.200 0.387 0.000 0.968 952 S HN 0.486 nan 8.310 nan 0.000 0.474 953 A N 4.495 127.420 122.820 0.176 0.000 2.304 953 A HA 0.566 4.885 4.320 -0.001 0.000 0.271 953 A C 0.511 178.176 177.584 0.135 0.000 1.091 953 A CA -0.630 51.491 52.037 0.139 0.000 0.812 953 A CB 0.271 19.347 19.000 0.127 0.000 1.056 953 A HN 0.914 nan 8.150 nan 0.000 0.489 954 R N -0.078 120.472 120.500 0.083 0.000 2.697 954 R HA -0.047 4.292 4.340 -0.001 0.000 0.265 954 R C 1.430 177.755 176.300 0.042 0.000 1.009 954 R CA 1.000 57.127 56.100 0.044 0.000 1.099 954 R CB 0.326 30.635 30.300 0.014 0.000 0.965 954 R HN 0.922 nan 8.270 nan 0.000 0.428 955 E N 1.573 121.761 120.200 -0.021 0.000 2.204 955 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 955 E C 0.364 177.005 176.600 0.069 0.000 0.990 955 E CA 1.503 57.868 56.400 -0.058 0.000 0.821 955 E CB -0.062 29.579 29.700 -0.099 0.000 0.750 955 E HN 0.752 nan 8.360 nan 0.000 0.477 956 D N 0.667 121.069 120.400 0.002 0.000 2.349 956 D HA -0.015 4.625 4.640 -0.001 0.000 0.224 956 D C 0.363 176.667 176.300 0.006 0.000 1.029 956 D CA -0.052 53.907 54.000 -0.069 0.000 0.879 956 D CB -0.038 40.665 40.800 -0.162 0.000 0.906 956 D HN 0.173 nan 8.370 nan 0.000 0.528 957 L N 0.737 122.012 121.223 0.087 0.000 2.309 957 L HA 0.519 4.858 4.340 -0.001 0.000 0.282 957 L C -1.090 175.910 176.870 0.216 0.000 1.036 957 L CA -0.456 54.452 54.840 0.114 0.000 0.806 957 L CB 1.660 43.775 42.059 0.094 0.000 1.220 957 L HN -0.213 nan 8.230 nan 0.000 0.429 958 D N 2.307 122.854 120.400 0.245 0.000 2.671 958 D HA 0.369 5.009 4.640 -0.001 0.000 0.232 958 D C -1.336 175.125 176.300 0.267 0.000 1.114 958 D CA -0.266 53.900 54.000 0.277 0.000 0.858 958 D CB 2.416 43.425 40.800 0.349 0.000 1.544 958 D HN 0.228 nan 8.370 nan 0.000 0.471 959 V N 3.459 123.508 119.914 0.225 0.000 2.258 959 V HA 0.127 4.246 4.120 -0.001 0.000 0.258 959 V C 1.298 177.526 176.094 0.224 0.000 1.121 959 V CA -0.030 62.414 62.300 0.240 0.000 0.942 959 V CB 0.424 32.376 31.823 0.216 0.000 1.170 959 V HN 0.589 nan 8.190 nan 0.000 0.487 960 S N 3.079 118.939 115.700 0.266 0.000 2.382 960 S HA -0.022 4.448 4.470 -0.001 0.000 0.228 960 S C 0.675 175.327 174.600 0.087 0.000 1.027 960 S CA 0.895 59.203 58.200 0.181 0.000 0.991 960 S CB 0.155 63.515 63.200 0.267 0.000 0.823 960 S HN 0.495 nan 8.310 nan 0.000 0.469 961 V N 1.520 121.526 119.914 0.154 0.000 2.686 961 V HA 0.527 4.646 4.120 -0.001 0.000 0.306 961 V C -0.775 175.392 176.094 0.123 0.000 1.065 961 V CA -0.549 61.820 62.300 0.115 0.000 0.894 961 V CB 1.879 33.798 31.823 0.159 0.000 1.004 961 V HN 0.378 nan 8.190 nan 0.000 0.424 962 M N 5.722 125.317 119.600 -0.009 0.000 2.204 962 M HA 0.676 5.156 4.480 -0.001 0.000 0.293 962 M C -1.078 175.059 176.300 -0.272 0.000 0.994 962 M CA -0.483 54.681 55.300 -0.227 0.000 0.925 962 M CB 1.446 33.923 32.600 -0.204 0.000 1.577 962 M HN 0.740 nan 8.290 nan 0.000 0.439 963 R N 4.109 124.379 120.500 -0.384 0.000 2.515 963 R HA 0.442 4.781 4.340 -0.001 0.000 0.291 963 R C -1.383 174.693 176.300 -0.372 0.000 1.046 963 R CA -0.690 55.235 56.100 -0.292 0.000 0.914 963 R CB 1.879 32.090 30.300 -0.148 0.000 1.191 963 R HN 0.909 nan 8.270 nan 0.000 0.435 964 R N 4.406 124.743 120.500 -0.272 0.000 2.442 964 R HA 0.143 4.482 4.340 -0.001 0.000 0.291 964 R C 0.217 176.407 176.300 -0.184 0.000 1.069 964 R CA 0.058 56.023 56.100 -0.226 0.000 1.022 964 R CB 0.630 30.853 30.300 -0.129 0.000 0.976 964 R HN 0.700 nan 8.270 nan 0.000 0.443 965 L N 2.944 124.051 121.223 -0.193 0.000 2.616 965 L HA 0.148 4.487 4.340 -0.001 0.000 0.229 965 L C 0.301 177.119 176.870 -0.087 0.000 1.110 965 L CA 0.026 54.773 54.840 -0.155 0.000 0.884 965 L CB 0.452 42.386 42.059 -0.207 0.000 1.115 965 L HN 0.718 nan 8.230 nan 0.000 0.481 966 T N -2.708 111.806 114.554 -0.067 0.000 2.887 966 T HA 0.451 4.801 4.350 -0.001 0.000 0.288 966 T C -0.230 174.462 174.700 -0.014 0.000 1.021 966 T CA -0.910 61.169 62.100 -0.035 0.000 1.000 966 T CB 2.427 71.280 68.868 -0.025 0.000 1.034 966 T HN -0.085 nan 8.240 nan 0.000 0.467 967 K N 0.914 121.312 120.400 -0.004 0.000 2.117 967 K HA 0.334 4.653 4.320 -0.001 0.000 0.240 967 K C 1.618 178.231 176.600 0.022 0.000 1.031 967 K CA -0.288 56.008 56.287 0.015 0.000 0.909 967 K CB 0.564 33.071 32.500 0.012 0.000 1.097 967 K HN 0.802 nan 8.250 nan 0.000 0.492 968 S N -0.533 115.189 115.700 0.037 0.000 2.474 968 S HA -0.096 4.373 4.470 -0.001 0.000 0.235 968 S C 1.476 176.091 174.600 0.024 0.000 0.997 968 S CA 1.046 59.267 58.200 0.035 0.000 0.949 968 S CB -0.056 63.172 63.200 0.046 0.000 0.766 968 S HN 0.450 nan 8.310 nan 0.000 0.517 969 S N 1.688 117.400 115.700 0.021 0.000 2.561 969 S HA 0.421 4.890 4.470 -0.001 0.000 0.225 969 S C 0.901 175.508 174.600 0.011 0.000 0.977 969 S CA 0.357 58.567 58.200 0.017 0.000 0.926 969 S CB -0.325 62.884 63.200 0.016 0.000 0.769 969 S HN 0.784 nan 8.310 nan 0.000 0.533 970 A N 1.866 124.691 122.820 0.008 0.000 2.404 970 A HA 0.270 4.589 4.320 -0.001 0.000 0.273 970 A C 1.314 178.903 177.584 0.008 0.000 1.144 970 A CA -0.333 51.706 52.037 0.003 0.000 0.806 970 A CB 0.199 19.197 19.000 -0.003 0.000 1.080 970 A HN 0.346 nan 8.150 nan 0.000 0.509 971 K N 1.913 122.317 120.400 0.006 0.000 2.063 971 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 971 K C 0.054 176.663 176.600 0.014 0.000 1.048 971 K CA 1.668 57.961 56.287 0.010 0.000 0.928 971 K CB -0.030 32.474 32.500 0.006 0.000 0.713 971 K HN 0.631 nan 8.250 nan 0.000 0.442 972 T N 2.529 117.088 114.554 0.009 0.000 2.753 972 T HA 0.184 4.533 4.350 -0.001 0.000 0.297 972 T C -0.826 173.886 174.700 0.020 0.000 0.981 972 T CA -0.694 61.414 62.100 0.013 0.000 0.956 972 T CB 1.446 70.311 68.868 -0.005 0.000 0.936 972 T HN 0.096 nan 8.240 nan 0.000 0.463 973 Q N 2.702 122.533 119.800 0.050 0.000 2.340 973 Q HA 0.414 4.754 4.340 -0.001 0.000 0.249 973 Q C 0.085 176.135 176.000 0.083 0.000 0.957 973 Q CA 0.032 55.868 55.803 0.055 0.000 0.882 973 Q CB 1.294 30.069 28.738 0.061 0.000 1.235 973 Q HN 0.553 nan 8.270 nan 0.000 0.439 974 R N 0.246 120.762 120.500 0.027 0.000 2.628 974 R HA 0.648 4.987 4.340 -0.001 0.000 0.288 974 R C -1.113 175.139 176.300 -0.081 0.000 0.980 974 R CA -0.652 55.449 56.100 0.001 0.000 0.891 974 R CB 1.841 32.108 30.300 -0.055 0.000 1.188 974 R HN 0.252 nan 8.270 nan 0.000 0.450 975 V N 1.425 121.287 119.914 -0.088 0.000 2.588 975 V HA 0.607 4.727 4.120 -0.001 0.000 0.304 975 V C 0.203 176.018 176.094 -0.465 0.000 1.042 975 V CA -0.856 61.258 62.300 -0.309 0.000 0.877 975 V CB 2.057 33.705 31.823 -0.292 0.000 0.996 975 V HN 0.944 nan 8.190 nan 0.000 0.425 976 G N 2.911 111.235 108.800 -0.794 0.000 2.371 976 G HA2 0.658 4.618 3.960 -0.001 0.000 0.326 976 G HA3 0.658 4.618 3.960 -0.001 0.000 0.326 976 G C -1.630 172.829 174.900 -0.734 0.000 1.127 976 G CA -0.271 44.190 45.100 -1.065 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.403 120.787 120.300 0.140 0.000 2.442 977 Y HA 0.468 5.018 4.550 -0.001 0.000 0.344 977 Y C -0.145 176.021 175.900 0.444 0.000 0.976 977 Y CA -0.909 57.362 58.100 0.284 0.000 1.040 977 Y CB 2.769 41.364 38.460 0.225 0.000 1.228 977 Y HN 0.348 nan 8.280 nan 0.000 0.451 978 V N 4.834 125.042 119.914 0.489 0.000 2.384 978 V HA 0.375 4.495 4.120 -0.001 0.000 0.287 978 V C -0.876 175.443 176.094 0.375 0.000 1.020 978 V CA -0.642 61.871 62.300 0.355 0.000 0.850 978 V CB 1.489 33.472 31.823 0.268 0.000 0.987 978 V HN 0.532 nan 8.190 nan 0.000 0.436 979 L N 5.126 126.556 121.223 0.345 0.000 2.313 979 L HA 0.636 4.975 4.340 -0.001 0.000 0.283 979 L C -0.708 176.357 176.870 0.326 0.000 1.013 979 L CA -0.152 54.886 54.840 0.330 0.000 0.816 979 L CB 1.359 43.614 42.059 0.326 0.000 1.236 979 L HN 0.773 nan 8.230 nan 0.000 0.419 980 H N 4.180 123.402 119.070 0.253 0.000 2.547 980 H HA 0.552 5.107 4.556 -0.001 0.000 0.342 980 H C -1.125 174.289 175.328 0.144 0.000 1.048 980 H CA -0.587 55.580 56.048 0.198 0.000 1.204 980 H CB 1.091 31.040 29.762 0.311 0.000 1.493 980 H HN 0.634 nan 8.280 nan 0.000 0.511 981 R N 4.357 124.498 120.500 -0.600 0.000 2.343 981 R HA 0.301 4.640 4.340 -0.001 0.000 0.320 981 R C -0.313 175.565 176.300 -0.703 0.000 0.956 981 R CA -0.453 55.373 56.100 -0.457 0.000 0.836 981 R CB 1.256 31.418 30.300 -0.229 0.000 1.151 981 R HN 0.767 nan 8.270 nan 0.000 0.450 982 T N 1.554 115.850 114.554 -0.429 0.000 2.793 982 T HA 0.178 4.527 4.350 -0.001 0.000 0.299 982 T C -0.510 174.020 174.700 -0.283 0.000 1.038 982 T CA -0.421 61.516 62.100 -0.271 0.000 0.948 982 T CB 0.567 69.351 68.868 -0.140 0.000 1.231 982 T HN 0.680 nan 8.240 nan 0.000 0.538 983 N N 0.520 119.080 118.700 -0.234 0.000 2.410 983 N HA 0.466 5.205 4.740 -0.001 0.000 0.287 983 N C -1.499 173.863 175.510 -0.247 0.000 1.044 983 N CA -0.484 52.373 53.050 -0.322 0.000 0.881 983 N CB 0.679 38.825 38.487 -0.569 0.000 1.405 983 N HN 0.468 nan 8.380 nan 0.000 0.490 984 L N 2.736 123.807 121.223 -0.253 0.000 2.325 984 L HA 0.549 4.888 4.340 -0.001 0.000 0.278 984 L C 0.533 177.285 176.870 -0.196 0.000 1.023 984 L CA -0.960 53.764 54.840 -0.193 0.000 0.811 984 L CB 1.600 43.554 42.059 -0.175 0.000 1.249 984 L HN 0.380 nan 8.230 nan 0.000 0.431 985 M N 1.982 121.486 119.600 -0.161 0.000 2.248 985 M HA 0.095 4.575 4.480 -0.001 0.000 0.337 985 M C -0.154 176.062 176.300 -0.140 0.000 1.121 985 M CA -0.095 55.111 55.300 -0.157 0.000 1.155 985 M CB 0.435 32.949 32.600 -0.144 0.000 1.514 985 M HN 0.457 nan 8.290 nan 0.000 0.452 986 Q N 1.652 121.373 119.800 -0.132 0.000 2.314 986 Q HA 0.212 4.551 4.340 -0.001 0.000 0.257 986 Q C -0.332 175.611 176.000 -0.095 0.000 0.975 986 Q CA 0.090 55.828 55.803 -0.108 0.000 0.933 986 Q CB 0.991 29.668 28.738 -0.102 0.000 1.195 986 Q HN 0.808 nan 8.270 nan 0.000 0.426 987 c N 0.560 119.108 118.600 -0.088 0.000 3.240 987 c HA 0.401 4.971 4.570 -0.001 0.000 0.271 987 c C 1.260 175.310 174.090 -0.067 0.000 1.534 987 c CA 0.022 56.304 56.329 -0.079 0.000 1.796 987 c CB -0.266 42.192 42.510 -0.087 0.000 2.892 987 c HN 0.999 nan 8.230 nan 0.000 0.566 988 G N 1.157 109.918 108.800 -0.064 0.000 2.179 988 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.220 988 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.220 988 G C 0.007 174.874 174.900 -0.056 0.000 0.990 988 G CA 0.255 45.321 45.100 -0.056 0.000 0.646 988 G HN 0.427 nan 8.290 nan 0.000 0.517 989 T N 3.042 117.559 114.554 -0.062 0.000 2.743 989 T HA 0.517 4.866 4.350 -0.001 0.000 0.293 989 T C -1.644 173.015 174.700 -0.068 0.000 0.945 989 T CA -0.583 61.480 62.100 -0.062 0.000 1.030 989 T CB 1.570 70.400 68.868 -0.063 0.000 0.912 989 T HN 0.169 nan 8.240 nan 0.000 0.483 990 P HA 0.071 nan 4.420 nan 0.000 0.266 990 P C 0.955 178.199 177.300 -0.094 0.000 1.193 990 P CA -0.150 62.904 63.100 -0.077 0.000 0.770 990 P CB 0.764 32.419 31.700 -0.076 0.000 0.836 991 E N 3.092 123.235 120.200 -0.094 0.000 1.998 991 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 991 E C -0.082 176.429 176.600 -0.149 0.000 1.003 991 E CA 1.614 57.953 56.400 -0.102 0.000 0.829 991 E CB -0.169 29.482 29.700 -0.082 0.000 0.777 991 E HN 0.639 nan 8.360 nan 0.000 0.460 992 E N -2.198 117.893 120.200 -0.181 0.000 9.129 992 E HA -0.294 4.056 4.350 -0.001 0.000 0.468 992 E C -0.002 176.449 176.600 -0.247 0.000 1.365 992 E CA 1.291 57.491 56.400 -0.332 0.000 2.372 992 E CB -1.541 27.782 29.700 -0.628 0.000 1.025 992 E HN 0.640 nan 8.360 nan 0.000 0.292 993 H N -0.312 118.753 119.070 -0.008 0.000 1.452 993 H HA -0.299 4.257 4.556 -0.001 0.000 0.090 993 H C 0.632 175.966 175.328 0.010 0.000 1.091 993 H CA 3.232 59.281 56.048 0.002 0.000 1.901 993 H CB -1.636 28.131 29.762 0.008 0.000 2.257 993 H HN 2.175 nan 8.280 nan 0.000 0.961 994 T N -1.793 112.897 114.554 0.226 0.000 0.541 994 T HA -0.224 4.126 4.350 -0.001 0.000 0.774 994 T C -0.577 174.180 174.700 0.096 0.000 0.992 994 T CA 0.895 63.079 62.100 0.139 0.000 4.077 994 T CB -0.412 68.517 68.868 0.102 0.000 2.303 994 T HN 0.703 nan 8.240 nan 0.000 0.398 995 Q N 1.358 121.213 119.800 0.092 0.000 2.257 995 Q HA 0.561 4.900 4.340 -0.001 0.000 0.262 995 Q C 0.219 176.248 176.000 0.049 0.000 0.997 995 Q CA -1.166 54.676 55.803 0.064 0.000 0.873 995 Q CB 1.625 30.404 28.738 0.069 0.000 1.312 995 Q HN 0.768 nan 8.270 nan 0.000 0.450 996 K N 1.562 121.977 120.400 0.025 0.000 2.401 996 K HA 0.116 4.436 4.320 -0.001 0.000 0.278 996 K C -1.049 175.555 176.600 0.007 0.000 1.018 996 K CA -0.278 56.014 56.287 0.010 0.000 0.981 996 K CB 0.384 32.878 32.500 -0.009 0.000 0.933 996 K HN 0.405 nan 8.250 nan 0.000 0.477 997 L N 4.648 125.873 121.223 0.003 0.000 2.265 997 L HA 0.288 4.628 4.340 -0.001 0.000 0.289 997 L C -1.190 175.646 176.870 -0.057 0.000 1.033 997 L CA -0.064 54.769 54.840 -0.012 0.000 0.814 997 L CB 1.240 43.304 42.059 0.009 0.000 1.203 997 L HN 0.614 nan 8.230 nan 0.000 0.423 998 D N 3.570 123.928 120.400 -0.070 0.000 2.464 998 D HA 0.163 4.803 4.640 -0.001 0.000 0.243 998 D C 1.039 177.243 176.300 -0.161 0.000 1.104 998 D CA -0.305 53.631 54.000 -0.107 0.000 0.883 998 D CB 1.266 42.049 40.800 -0.029 0.000 1.050 998 D HN 0.382 nan 8.370 nan 0.000 0.524 999 V N 1.356 121.077 119.914 -0.320 0.000 2.720 999 V HA -0.159 3.960 4.120 -0.001 0.000 0.256 999 V C 2.114 177.895 176.094 -0.521 0.000 1.082 999 V CA 0.982 62.917 62.300 -0.609 0.000 1.101 999 V CB -1.086 30.091 31.823 -1.077 0.000 0.693 999 V HN 0.606 nan 8.190 nan 0.000 0.479 1000 c N 0.588 119.016 118.600 -0.287 0.000 2.437 1000 c HA 0.023 4.592 4.570 -0.001 0.000 0.283 1000 c C 2.097 176.071 174.090 -0.193 0.000 1.424 1000 c CA 1.215 57.439 56.329 -0.174 0.000 1.782 1000 c CB -1.775 40.623 42.510 -0.186 0.000 1.833 1000 c HN 0.768 nan 8.230 nan 0.000 0.532 1001 H N -1.010 118.036 119.070 -0.041 0.000 2.542 1001 H HA 0.264 4.820 4.556 -0.001 0.000 0.283 1001 H C 1.690 177.048 175.328 0.050 0.000 1.059 1001 H CA -0.023 56.041 56.048 0.027 0.000 1.162 1001 H CB 0.064 29.825 29.762 -0.002 0.000 1.539 1001 H HN 0.338 nan 8.280 nan 0.000 0.543 1002 L N -0.115 121.163 121.223 0.090 0.000 2.201 1002 L HA -0.018 4.322 4.340 -0.001 0.000 0.212 1002 L C 0.178 177.189 176.870 0.235 0.000 1.105 1002 L CA 0.882 55.804 54.840 0.136 0.000 0.775 1002 L CB 0.111 42.216 42.059 0.076 0.000 0.913 1002 L HN 0.210 nan 8.230 nan 0.000 0.440 1003 L N -0.109 121.213 121.223 0.165 0.000 2.331 1003 L HA 0.400 4.740 4.340 -0.001 0.000 0.275 1003 L C -2.074 174.858 176.870 0.103 0.000 1.022 1003 L CA -1.985 52.890 54.840 0.058 0.000 0.812 1003 L CB 1.587 43.453 42.059 -0.322 0.000 1.257 1003 L HN -0.205 nan 8.230 nan 0.000 0.435 1004 P HA 0.134 nan 4.420 nan 0.000 0.276 1004 P C -0.918 176.507 177.300 0.208 0.000 1.261 1004 P CA -0.302 62.879 63.100 0.135 0.000 0.800 1004 P CB 0.391 32.144 31.700 0.088 0.000 1.066 1005 N N -3.015 115.782 118.700 0.163 0.000 2.740 1005 N HA -0.149 4.591 4.740 -0.001 0.000 0.248 1005 N C -0.018 175.569 175.510 0.128 0.000 1.062 1005 N CA 0.052 53.184 53.050 0.136 0.000 0.704 1005 N CB -1.829 36.729 38.487 0.118 0.000 0.968 1005 N HN 0.260 nan 8.380 nan 0.000 0.547 1006 V N 0.023 119.966 119.914 0.048 0.000 2.572 1006 V HA 0.427 4.546 4.120 -0.001 0.000 0.291 1006 V C 1.147 177.138 176.094 -0.171 0.000 1.039 1006 V CA 1.036 63.195 62.300 -0.235 0.000 1.055 1006 V CB 1.240 32.834 31.823 -0.382 0.000 0.969 1006 V HN 0.435 nan 8.190 nan 0.000 0.482 1007 A N 7.046 129.741 122.820 -0.209 0.000 2.259 1007 A HA 0.489 4.809 4.320 -0.001 0.000 0.213 1007 A C 0.933 178.477 177.584 -0.066 0.000 1.209 1007 A CA -0.000 51.979 52.037 -0.096 0.000 0.910 1007 A CB 0.255 19.215 19.000 -0.067 0.000 0.946 1007 A HN 0.768 nan 8.150 nan 0.000 0.497 1008 R N -1.670 118.762 120.500 -0.113 0.000 2.634 1008 R HA 0.473 4.812 4.340 -0.001 0.000 0.263 1008 R C -2.335 173.935 176.300 -0.050 0.000 1.060 1008 R CA -0.339 55.757 56.100 -0.008 0.000 0.898 1008 R CB 1.419 31.738 30.300 0.033 0.000 1.253 1008 R HN 0.296 nan 8.270 nan 0.000 0.461 1009 c N 2.800 121.417 118.600 0.029 0.000 2.431 1009 c HA 0.652 5.221 4.570 -0.001 0.000 0.321 1009 c C -1.295 172.884 174.090 0.149 0.000 1.202 1009 c CA -0.276 56.076 56.329 0.038 0.000 1.398 1009 c CB 1.384 43.874 42.510 -0.033 0.000 2.047 1009 c HN 0.768 nan 8.230 nan 0.000 0.465 1010 E N 3.407 123.721 120.200 0.190 0.000 2.266 1010 E HA 0.369 4.718 4.350 -0.001 0.000 0.268 1010 E C -0.980 175.791 176.600 0.285 0.000 0.879 1010 E CA -0.589 55.942 56.400 0.218 0.000 0.762 1010 E CB 2.334 32.125 29.700 0.151 0.000 1.199 1010 E HN 0.733 nan 8.360 nan 0.000 0.422 1011 R N 0.984 121.637 120.500 0.254 0.000 2.357 1011 R HA 0.359 4.699 4.340 -0.001 0.000 0.296 1011 R C -0.133 176.203 176.300 0.060 0.000 1.052 1011 R CA 0.118 56.297 56.100 0.132 0.000 0.988 1011 R CB 0.621 30.971 30.300 0.083 0.000 1.025 1011 R HN 0.665 nan 8.270 nan 0.000 0.469 1012 T N -0.362 114.200 114.554 0.014 0.000 2.887 1012 T HA 0.351 4.701 4.350 -0.001 0.000 0.292 1012 T C 0.082 174.768 174.700 -0.024 0.000 1.087 1012 T CA -0.774 61.352 62.100 0.044 0.000 1.009 1012 T CB 1.360 70.322 68.868 0.157 0.000 1.203 1012 T HN 0.627 nan 8.240 nan 0.000 0.518 1013 T N 0.181 114.723 114.554 -0.019 0.000 2.791 1013 T HA 0.193 4.542 4.350 -0.001 0.000 0.323 1013 T C 1.590 176.213 174.700 -0.129 0.000 1.082 1013 T CA -0.654 61.411 62.100 -0.057 0.000 1.084 1013 T CB -0.082 68.769 68.868 -0.030 0.000 0.992 1013 T HN 0.569 nan 8.240 nan 0.000 0.547 1014 L N 1.041 122.171 121.223 -0.156 0.000 2.362 1014 L HA -0.021 4.318 4.340 -0.001 0.000 0.219 1014 L C 2.806 179.390 176.870 -0.477 0.000 1.134 1014 L CA 1.336 56.015 54.840 -0.268 0.000 0.807 1014 L CB -1.026 40.958 42.059 -0.126 0.000 0.927 1014 L HN 0.981 nan 8.230 nan 0.000 0.447 1015 T N -4.758 109.618 114.554 -0.297 0.000 3.129 1015 T HA 0.048 4.397 4.350 -0.001 0.000 0.251 1015 T C 0.829 175.420 174.700 -0.183 0.000 1.117 1015 T CA -0.203 61.750 62.100 -0.244 0.000 1.034 1015 T CB -0.319 68.528 68.868 -0.034 0.000 0.968 1015 T HN 0.317 nan 8.240 nan 0.000 0.526 1016 F N -0.771 119.190 119.950 0.018 0.000 2.871 1016 F HA -0.222 4.304 4.527 -0.001 0.000 0.326 1016 F C 1.102 176.901 175.800 -0.002 0.000 0.675 1016 F CA 0.145 58.148 58.000 0.006 0.000 1.188 1016 F CB -2.149 36.850 39.000 -0.002 0.000 1.567 1016 F HN 0.209 nan 8.300 nan 0.000 0.325 1017 L N -0.556 120.735 121.223 0.114 0.000 2.509 1017 L HA 0.087 4.427 4.340 -0.001 0.000 0.222 1017 L C 0.987 177.878 176.870 0.034 0.000 1.123 1017 L CA 0.955 55.834 54.840 0.065 0.000 0.856 1017 L CB 0.138 42.219 42.059 0.036 0.000 0.985 1017 L HN 0.322 nan 8.230 nan 0.000 0.456 1018 Q N 0.416 120.236 119.800 0.033 0.000 2.305 1018 Q HA 0.274 4.613 4.340 -0.001 0.000 0.271 1018 Q C -1.227 174.789 176.000 0.027 0.000 1.046 1018 Q CA -0.708 55.103 55.803 0.013 0.000 0.798 1018 Q CB 1.994 30.727 28.738 -0.009 0.000 1.286 1018 Q HN 0.071 nan 8.270 nan 0.000 0.435 1019 N N 4.234 122.948 118.700 0.023 0.000 2.458 1019 N HA 0.206 4.946 4.740 -0.001 0.000 0.270 1019 N C 0.315 175.840 175.510 0.025 0.000 1.102 1019 N CA 0.185 53.255 53.050 0.034 0.000 0.967 1019 N CB 1.098 39.599 38.487 0.022 0.000 1.078 1019 N HN 0.631 nan 8.380 nan 0.000 0.471 1020 L N 0.454 121.698 121.223 0.034 0.000 2.537 1020 L HA 0.311 4.650 4.340 -0.001 0.000 0.224 1020 L C 0.607 177.505 176.870 0.047 0.000 1.065 1020 L CA 0.397 55.253 54.840 0.025 0.000 0.860 1020 L CB 0.354 42.418 42.059 0.008 0.000 1.086 1020 L HN 0.515 nan 8.230 nan 0.000 0.482 1021 E N -0.462 119.786 120.200 0.079 0.000 2.354 1021 E HA 0.147 4.496 4.350 -0.001 0.000 0.283 1021 E C -1.381 175.322 176.600 0.172 0.000 0.938 1021 E CA -0.547 55.918 56.400 0.109 0.000 0.777 1021 E CB 1.679 31.437 29.700 0.098 0.000 1.222 1021 E HN 0.098 nan 8.360 nan 0.000 0.423 1022 H N 5.583 124.679 119.070 0.043 0.000 2.562 1022 H HA 0.354 4.909 4.556 -0.001 0.000 0.314 1022 H C -0.752 174.601 175.328 0.042 0.000 1.079 1022 H CA -0.627 55.444 56.048 0.038 0.000 1.349 1022 H CB 0.746 30.521 29.762 0.021 0.000 1.432 1022 H HN 0.356 nan 8.280 nan 0.000 0.479 1023 L N 5.212 126.404 121.223 -0.052 0.000 2.275 1023 L HA 0.131 4.470 4.340 -0.001 0.000 0.288 1023 L C -0.020 176.732 176.870 -0.198 0.000 1.046 1023 L CA -0.968 53.821 54.840 -0.085 0.000 0.805 1023 L CB 1.187 43.249 42.059 0.005 0.000 1.193 1023 L HN 0.667 nan 8.230 nan 0.000 0.426 1024 D N 2.627 122.942 120.400 -0.143 0.000 2.488 1024 D HA 0.158 4.798 4.640 -0.001 0.000 0.238 1024 D C 1.220 177.471 176.300 -0.082 0.000 1.138 1024 D CA 1.147 55.071 54.000 -0.127 0.000 0.873 1024 D CB 1.067 41.823 40.800 -0.073 0.000 1.183 1024 D HN 0.829 nan 8.370 nan 0.000 0.458 1025 G N 2.554 111.313 108.800 -0.069 0.000 2.166 1025 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.260 1025 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.260 1025 G C 0.758 175.684 174.900 0.043 0.000 0.986 1025 G CA 0.489 45.581 45.100 -0.013 0.000 0.683 1025 G HN 0.641 nan 8.290 nan 0.000 0.527 1026 M N -2.798 116.792 119.600 -0.016 0.000 2.576 1026 M HA -0.191 4.288 4.480 -0.001 0.000 0.200 1026 M C 0.118 176.440 176.300 0.037 0.000 0.487 1026 M CA 0.920 56.208 55.300 -0.021 0.000 0.553 1026 M CB -1.828 30.738 32.600 -0.056 0.000 2.042 1026 M HN 0.221 nan 8.290 nan 0.000 0.758 1027 V N 0.645 120.571 119.914 0.021 0.000 2.435 1027 V HA 0.749 4.868 4.120 -0.001 0.000 0.290 1027 V C 0.561 176.579 176.094 -0.127 0.000 1.030 1027 V CA -0.327 61.974 62.300 0.002 0.000 0.881 1027 V CB 1.820 33.638 31.823 -0.008 0.000 0.983 1027 V HN 0.362 nan 8.190 nan 0.000 0.445 1028 A N 7.660 130.322 122.820 -0.264 0.000 2.260 1028 A HA 0.782 5.101 4.320 -0.001 0.000 0.312 1028 A C -2.515 174.786 177.584 -0.472 0.000 1.321 1028 A CA -1.527 50.118 52.037 -0.653 0.000 0.928 1028 A CB 0.235 18.569 19.000 -1.109 0.000 1.158 1028 A HN 0.632 nan 8.150 nan 0.000 0.542 1029 P HA 0.212 nan 4.420 nan 0.000 0.272 1029 P C -0.097 177.196 177.300 -0.011 0.000 1.223 1029 P CA -0.218 62.834 63.100 -0.081 0.000 0.784 1029 P CB 0.613 32.326 31.700 0.023 0.000 0.923 1030 E N -0.145 120.061 120.200 0.011 0.000 2.392 1030 E HA 0.249 4.599 4.350 -0.001 0.000 0.256 1030 E C 0.056 176.711 176.600 0.093 0.000 1.145 1030 E CA -0.775 55.660 56.400 0.058 0.000 0.929 1030 E CB 0.447 30.162 29.700 0.026 0.000 0.998 1030 E HN 0.288 nan 8.360 nan 0.000 0.442 1031 V N -1.525 118.445 119.914 0.093 0.000 2.973 1031 V HA 0.368 4.488 4.120 -0.001 0.000 0.314 1031 V C 0.117 176.215 176.094 0.007 0.000 1.066 1031 V CA -1.089 61.252 62.300 0.068 0.000 1.021 1031 V CB 1.266 33.133 31.823 0.074 0.000 1.076 1031 V HN 0.736 nan 8.190 nan 0.000 0.462 1032 c N 2.415 121.013 118.600 -0.004 0.000 2.580 1032 c HA 0.462 5.032 4.570 -0.001 0.000 0.371 1032 c C -2.088 171.946 174.090 -0.094 0.000 1.308 1032 c CA -0.380 55.927 56.329 -0.037 0.000 2.428 1032 c CB 0.072 42.576 42.510 -0.010 0.000 2.529 1032 c HN 0.818 nan 8.230 nan 0.000 0.657 1033 P HA 0.050 nan 4.420 nan 0.000 0.265 1033 P C 0.260 177.405 177.300 -0.258 0.000 1.193 1033 P CA 0.916 63.880 63.100 -0.227 0.000 0.765 1033 P CB 0.177 31.724 31.700 -0.254 0.000 0.823 1034 M N -1.186 118.211 119.600 -0.339 0.000 2.939 1034 M HA -0.180 4.300 4.480 -0.001 0.000 0.194 1034 M C -0.156 176.133 176.300 -0.019 0.000 0.617 1034 M CA 1.372 56.456 55.300 -0.360 0.000 0.734 1034 M CB -2.033 30.023 32.600 -0.907 0.000 2.637 1034 M HN 0.409 nan 8.290 nan 0.000 0.316 1035 E N 0.445 120.633 120.200 -0.020 0.000 2.227 1035 E HA 0.721 5.070 4.350 -0.001 0.000 0.268 1035 E C 0.089 176.755 176.600 0.111 0.000 0.990 1035 E CA -0.097 56.373 56.400 0.115 0.000 0.856 1035 E CB 1.406 31.140 29.700 0.057 0.000 1.159 1035 E HN 0.146 nan 8.360 nan 0.000 0.401 1036 T N 0.508 115.148 114.554 0.143 0.000 2.881 1036 T HA 0.702 5.052 4.350 -0.001 0.000 0.290 1036 T C -0.805 173.905 174.700 0.018 0.000 1.000 1036 T CA -0.666 61.524 62.100 0.149 0.000 0.978 1036 T CB 1.601 70.570 68.868 0.168 0.000 0.997 1036 T HN 0.505 nan 8.240 nan 0.000 0.443 1037 A N 1.933 124.762 122.820 0.014 0.000 2.469 1037 A HA 1.009 5.328 4.320 -0.001 0.000 0.299 1037 A C -0.972 176.501 177.584 -0.184 0.000 1.098 1037 A CA -0.948 50.998 52.037 -0.151 0.000 0.737 1037 A CB 1.517 20.368 19.000 -0.249 0.000 1.312 1037 A HN 1.117 nan 8.150 nan 0.000 0.414 1038 A N 0.121 122.746 122.820 -0.326 0.000 2.365 1038 A HA 0.826 5.145 4.320 -0.001 0.000 0.318 1038 A C -1.511 175.893 177.584 -0.299 0.000 1.091 1038 A CA -0.365 51.593 52.037 -0.131 0.000 0.763 1038 A CB 0.782 19.744 19.000 -0.064 0.000 1.248 1038 A HN 0.850 nan 8.150 nan 0.000 0.442 1039 Y N 0.093 120.609 120.300 0.360 0.000 2.524 1039 Y HA 0.564 5.113 4.550 -0.001 0.000 0.347 1039 Y C -0.312 175.761 175.900 0.289 0.000 1.005 1039 Y CA -0.910 57.355 58.100 0.276 0.000 1.025 1039 Y CB 2.632 41.215 38.460 0.204 0.000 1.275 1039 Y HN 0.421 nan 8.280 nan 0.000 0.460 1040 V N 2.486 122.601 119.914 0.335 0.000 2.444 1040 V HA 0.448 4.567 4.120 -0.001 0.000 0.294 1040 V C -0.623 175.556 176.094 0.141 0.000 1.022 1040 V CA -0.875 61.515 62.300 0.150 0.000 0.850 1040 V CB 1.735 33.584 31.823 0.043 0.000 0.992 1040 V HN 0.824 nan 8.190 nan 0.000 0.426 1041 S N 3.524 119.314 115.700 0.151 0.000 2.541 1041 S HA 0.723 5.192 4.470 -0.001 0.000 0.283 1041 S C -0.223 174.320 174.600 -0.095 0.000 1.196 1041 S CA -0.587 57.632 58.200 0.030 0.000 1.062 1041 S CB 1.636 64.936 63.200 0.167 0.000 1.009 1041 S HN 0.554 nan 8.310 nan 0.000 0.502 1042 S N 2.287 117.802 115.700 -0.310 0.000 2.472 1042 S HA 0.539 5.008 4.470 -0.001 0.000 0.303 1042 S C -0.934 173.331 174.600 -0.559 0.000 1.099 1042 S CA -0.758 57.290 58.200 -0.253 0.000 1.077 1042 S CB 0.528 63.654 63.200 -0.124 0.000 1.031 1042 S HN 0.785 nan 8.310 nan 0.000 0.487 1043 H N 0.850 119.909 119.070 -0.018 0.000 2.679 1043 H HA 0.429 4.984 4.556 -0.001 0.000 0.360 1043 H C -0.300 175.024 175.328 -0.007 0.000 1.105 1043 H CA -0.607 55.433 56.048 -0.013 0.000 1.196 1043 H CB 1.827 31.583 29.762 -0.010 0.000 1.636 1043 H HN 0.657 nan 8.280 nan 0.000 0.531 1044 S N 0.000 115.747 115.700 0.078 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.230 58.200 0.049 0.000 1.107 1044 S CB 0.000 63.215 63.200 0.025 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517