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 3ddf_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.103 174.090 0.022 0.000 1.270 31 c CA 0.000 56.337 56.329 0.014 0.000 1.963 31 c CB 0.000 42.506 42.510 -0.007 0.000 2.134 32 Q N 1.374 121.202 119.800 0.047 0.000 2.392 32 Q HA 0.164 4.504 4.340 -0.000 0.000 0.262 32 Q C -0.218 175.814 176.000 0.053 0.000 1.003 32 Q CA 0.284 56.130 55.803 0.071 0.000 0.888 32 Q CB 0.853 29.669 28.738 0.129 0.000 1.260 32 Q HN 0.660 nan 8.270 nan 0.000 0.435 33 D N 1.681 122.114 120.400 0.055 0.000 2.325 33 D HA 0.053 4.693 4.640 -0.000 0.000 0.251 33 D C 0.506 176.854 176.300 0.081 0.000 1.196 33 D CA -0.199 53.817 54.000 0.027 0.000 0.866 33 D CB 1.277 42.092 40.800 0.024 0.000 1.101 33 D HN 0.384 nan 8.370 nan 0.000 0.476 34 V N 2.206 122.125 119.914 0.009 0.000 3.649 34 V HA 0.080 4.199 4.120 -0.000 0.000 0.275 34 V C 1.135 177.286 176.094 0.094 0.000 1.281 34 V CA 0.174 62.536 62.300 0.103 0.000 1.143 34 V CB 0.207 31.919 31.823 -0.184 0.000 0.892 34 V HN 0.388 nan 8.190 nan 0.000 0.441 35 V N -0.040 119.844 119.914 -0.050 0.000 2.806 35 V HA 0.114 4.234 4.120 -0.000 0.000 0.239 35 V C 2.246 178.323 176.094 -0.029 0.000 1.113 35 V CA 1.210 63.433 62.300 -0.128 0.000 1.137 35 V CB -0.028 31.673 31.823 -0.203 0.000 0.865 35 V HN 0.478 nan 8.190 nan 0.000 0.482 36 Q N -0.267 119.565 119.800 0.053 0.000 2.282 36 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 36 Q C -0.603 175.482 176.000 0.140 0.000 0.878 36 Q CA 0.181 56.032 55.803 0.079 0.000 0.944 36 Q CB 0.704 29.462 28.738 0.035 0.000 1.100 36 Q HN 0.518 nan 8.270 nan 0.000 0.509 37 D N 1.123 121.640 120.400 0.195 0.000 2.440 37 D HA 0.181 4.820 4.640 -0.000 0.000 0.239 37 D C -0.680 175.735 176.300 0.191 0.000 1.084 37 D CA -0.294 53.804 54.000 0.163 0.000 0.843 37 D CB 2.305 43.177 40.800 0.119 0.000 1.097 37 D HN -0.176 nan 8.370 nan 0.000 0.531 38 V N 4.295 124.285 119.914 0.128 0.000 2.470 38 V HA 0.155 4.275 4.120 -0.000 0.000 0.276 38 V C -1.920 174.149 176.094 -0.040 0.000 1.040 38 V CA -1.206 61.089 62.300 -0.009 0.000 1.008 38 V CB 0.639 32.466 31.823 0.007 0.000 0.990 38 V HN 0.298 nan 8.190 nan 0.000 0.477 39 P HA 0.081 nan 4.420 nan 0.000 0.269 39 P C -0.463 176.807 177.300 -0.050 0.000 1.209 39 P CA -0.171 62.896 63.100 -0.055 0.000 0.776 39 P CB 0.372 32.021 31.700 -0.085 0.000 0.876 40 N N 2.685 121.371 118.700 -0.023 0.000 2.462 40 N HA 0.296 5.036 4.740 -0.000 0.000 0.242 40 N C -1.146 174.355 175.510 -0.015 0.000 1.010 40 N CA -0.389 52.651 53.050 -0.017 0.000 0.939 40 N CB -0.033 38.453 38.487 -0.002 0.000 1.127 40 N HN 0.099 nan 8.380 nan 0.000 0.509 41 V N 0.442 120.340 119.914 -0.027 0.000 2.864 41 V HA 0.537 4.657 4.120 -0.000 0.000 0.314 41 V C 0.714 176.793 176.094 -0.025 0.000 1.073 41 V CA -0.741 61.545 62.300 -0.022 0.000 0.956 41 V CB 2.033 33.832 31.823 -0.041 0.000 1.023 41 V HN 0.348 nan 8.190 nan 0.000 0.435 42 D N 1.171 121.563 120.400 -0.013 0.000 2.144 42 D HA 0.002 4.642 4.640 -0.000 0.000 0.200 42 D C 0.520 176.789 176.300 -0.051 0.000 0.978 42 D CA 1.628 55.617 54.000 -0.018 0.000 0.833 42 D CB 0.399 41.204 40.800 0.009 0.000 0.961 42 D HN 0.434 nan 8.370 nan 0.000 0.470 43 V N 1.491 121.353 119.914 -0.086 0.000 2.483 43 V HA 0.209 4.329 4.120 -0.000 0.000 0.297 43 V C -0.336 175.662 176.094 -0.160 0.000 1.027 43 V CA -0.751 61.468 62.300 -0.136 0.000 0.855 43 V CB 2.367 34.066 31.823 -0.207 0.000 0.995 43 V HN -0.077 nan 8.190 nan 0.000 0.424 44 Q N 4.559 124.277 119.800 -0.138 0.000 2.341 44 Q HA 0.440 4.780 4.340 -0.000 0.000 0.268 44 Q C 0.416 176.318 176.000 -0.163 0.000 1.013 44 Q CA -0.678 55.037 55.803 -0.148 0.000 0.798 44 Q CB 1.881 30.553 28.738 -0.110 0.000 1.253 44 Q HN 0.675 nan 8.270 nan 0.000 0.457 45 M N 3.035 122.491 119.600 -0.240 0.000 2.213 45 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 45 M C 1.601 177.790 176.300 -0.185 0.000 1.062 45 M CA 0.906 56.048 55.300 -0.263 0.000 1.105 45 M CB -0.761 31.549 32.600 -0.483 0.000 1.385 45 M HN 0.558 nan 8.290 nan 0.000 0.417 46 L N 0.745 121.858 121.223 -0.182 0.000 2.056 46 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 46 L C 2.499 179.361 176.870 -0.013 0.000 1.078 46 L CA 1.806 56.574 54.840 -0.120 0.000 0.749 46 L CB -0.640 41.327 42.059 -0.155 0.000 0.901 46 L HN 0.264 nan 8.230 nan 0.000 0.433 47 E N -0.352 119.827 120.200 -0.035 0.000 2.072 47 E HA -0.234 4.115 4.350 -0.000 0.000 0.191 47 E C 2.202 178.815 176.600 0.021 0.000 0.985 47 E CA 1.443 57.837 56.400 -0.010 0.000 0.801 47 E CB -0.315 29.364 29.700 -0.035 0.000 0.750 47 E HN 0.440 nan 8.360 nan 0.000 0.452 48 L N 0.533 121.767 121.223 0.019 0.000 2.012 48 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 48 L C 2.309 179.248 176.870 0.115 0.000 1.073 48 L CA 1.719 56.580 54.840 0.035 0.000 0.748 48 L CB -1.021 41.045 42.059 0.011 0.000 0.891 48 L HN 0.132 nan 8.230 nan 0.000 0.431 49 Y N -0.065 120.236 120.300 0.002 0.000 2.165 49 Y HA -0.262 4.288 4.550 -0.001 0.000 0.286 49 Y C 2.581 178.574 175.900 0.155 0.000 1.155 49 Y CA 1.798 59.987 58.100 0.149 0.000 1.164 49 Y CB -0.650 37.899 38.460 0.148 0.000 0.978 49 Y HN 0.358 nan 8.280 nan 0.000 0.513 50 D N -0.523 119.991 120.400 0.190 0.000 2.178 50 D HA -0.126 4.513 4.640 -0.000 0.000 0.201 50 D C 2.052 178.393 176.300 0.068 0.000 0.980 50 D CA 1.258 55.321 54.000 0.106 0.000 0.842 50 D CB 0.052 40.888 40.800 0.060 0.000 0.948 50 D HN 0.256 nan 8.370 nan 0.000 0.472 51 R N -1.140 119.383 120.500 0.038 0.000 2.140 51 R HA 0.208 4.547 4.340 -0.000 0.000 0.213 51 R C 0.924 177.202 176.300 -0.036 0.000 1.059 51 R CA -0.014 56.084 56.100 -0.004 0.000 1.000 51 R CB 0.118 30.402 30.300 -0.027 0.000 0.910 51 R HN 0.194 nan 8.270 nan 0.000 0.455 52 M N 0.822 120.367 119.600 -0.091 0.000 2.248 52 M HA -0.049 4.431 4.480 -0.000 0.000 0.337 52 M C 1.157 177.394 176.300 -0.106 0.000 1.121 52 M CA 0.399 55.550 55.300 -0.248 0.000 1.155 52 M CB 1.329 33.519 32.600 -0.683 0.000 1.514 52 M HN 0.107 nan 8.290 nan 0.000 0.452 53 S N 1.345 116.974 115.700 -0.117 0.000 2.517 53 S HA 0.116 4.586 4.470 -0.000 0.000 0.214 53 S C 0.532 175.243 174.600 0.185 0.000 0.991 53 S CA -0.309 57.924 58.200 0.056 0.000 0.906 53 S CB -0.102 63.105 63.200 0.012 0.000 0.789 53 S HN 0.778 nan 8.310 nan 0.000 0.513 54 F N 0.841 120.720 119.950 -0.118 0.000 3.074 54 F HA -0.145 4.382 4.527 -0.000 0.000 0.289 54 F C 0.166 175.975 175.800 0.015 0.000 0.863 54 F CA 0.280 58.214 58.000 -0.110 0.000 1.121 54 F CB -1.924 36.985 39.000 -0.153 0.000 1.169 54 F HN 0.105 nan 8.300 nan 0.000 0.570 55 K N 1.074 121.552 120.400 0.131 0.000 2.350 55 K HA 0.182 4.502 4.320 -0.000 0.000 0.279 55 K C 0.287 176.997 176.600 0.183 0.000 1.027 55 K CA -0.188 56.181 56.287 0.136 0.000 0.969 55 K CB 0.659 33.200 32.500 0.069 0.000 0.954 55 K HN 0.078 nan 8.250 nan 0.000 0.474 56 D N 3.738 124.258 120.400 0.200 0.000 2.638 56 D HA 0.140 4.780 4.640 -0.000 0.000 0.245 56 D C -0.084 176.264 176.300 0.080 0.000 1.176 56 D CA -0.465 53.660 54.000 0.208 0.000 0.996 56 D CB -0.451 40.482 40.800 0.221 0.000 1.012 56 D HN 0.457 nan 8.370 nan 0.000 0.515 57 I N -1.451 119.154 120.570 0.058 0.000 2.566 57 I HA 0.483 4.653 4.170 -0.000 0.000 0.303 57 I C 0.071 176.181 176.117 -0.012 0.000 0.983 57 I CA -0.951 60.360 61.300 0.018 0.000 1.235 57 I CB 1.507 39.517 38.000 0.016 0.000 1.386 57 I HN -0.111 nan 8.210 nan 0.000 0.494 58 D N 4.086 124.477 120.400 -0.015 0.000 2.342 58 D HA 0.173 4.812 4.640 -0.000 0.000 0.260 58 D C 1.036 177.324 176.300 -0.020 0.000 1.278 58 D CA 0.086 54.072 54.000 -0.024 0.000 0.910 58 D CB 1.364 42.156 40.800 -0.013 0.000 1.079 58 D HN 0.814 nan 8.370 nan 0.000 0.496 59 G N 2.452 111.224 108.800 -0.046 0.000 2.985 59 G HA2 0.412 4.372 3.960 -0.000 0.000 0.209 59 G HA3 0.412 4.372 3.960 -0.000 0.000 0.209 59 G C 0.903 175.807 174.900 0.006 0.000 1.165 59 G CA 0.380 45.455 45.100 -0.041 0.000 0.776 59 G HN 0.925 nan 8.290 nan 0.000 0.541 60 G N -0.659 108.149 108.800 0.013 0.000 2.445 60 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.212 60 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.212 60 G C 1.168 176.090 174.900 0.038 0.000 1.217 60 G CA 0.689 45.808 45.100 0.032 0.000 1.002 60 G HN 1.106 nan 8.290 nan 0.000 0.574 61 V N -3.548 116.387 119.914 0.035 0.000 2.407 61 V HA 0.081 4.201 4.120 -0.000 0.000 0.248 61 V C 1.471 177.594 176.094 0.049 0.000 1.055 61 V CA 2.401 64.705 62.300 0.006 0.000 1.049 61 V CB -0.583 31.209 31.823 -0.051 0.000 0.662 61 V HN 1.432 nan 8.190 nan 0.000 0.455 62 W N 2.644 123.853 121.300 -0.151 0.000 2.430 62 W HA 0.415 5.074 4.660 -0.001 0.000 0.380 62 W C 1.178 177.661 176.519 -0.060 0.000 1.045 62 W CA -1.669 55.580 57.345 -0.160 0.000 1.547 62 W CB 0.162 29.491 29.460 -0.219 0.000 1.554 62 W HN 0.049 nan 8.180 nan 0.000 0.378 63 K N 2.634 123.120 120.400 0.143 0.000 2.147 63 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 63 K C 0.845 177.369 176.600 -0.126 0.000 1.049 63 K CA 1.397 57.679 56.287 -0.008 0.000 0.936 63 K CB 0.184 32.677 32.500 -0.012 0.000 0.722 63 K HN 0.565 nan 8.250 nan 0.000 0.446 64 Q N -0.804 118.875 119.800 -0.202 0.000 2.188 64 Q HA 0.154 4.493 4.340 -0.000 0.000 0.212 64 Q C 0.756 176.390 176.000 -0.610 0.000 0.846 64 Q CA -0.356 55.306 55.803 -0.234 0.000 0.989 64 Q CB 1.334 30.073 28.738 0.001 0.000 1.114 64 Q HN 0.207 nan 8.270 nan 0.000 0.488 65 G N 0.622 108.659 108.800 -1.272 0.000 3.407 65 G HA2 0.528 4.487 3.960 -0.000 0.000 0.187 65 G HA3 0.528 4.487 3.960 -0.000 0.000 0.187 65 G C -1.442 173.166 174.900 -0.488 0.000 1.262 65 G CA -0.321 43.732 45.100 -1.745 0.000 0.808 65 G HN 0.353 nan 8.290 nan 0.000 0.687 66 W N -1.396 119.630 121.300 -0.457 0.000 3.005 66 W HA 0.626 5.286 4.660 -0.000 0.000 0.343 66 W C -1.513 175.096 176.519 0.151 0.000 1.243 66 W CA -1.174 56.123 57.345 -0.080 0.000 1.186 66 W CB 0.660 30.086 29.460 -0.057 0.000 1.453 66 W HN 0.189 nan 8.180 nan 0.000 0.575 67 N N 2.237 121.093 118.700 0.260 0.000 2.402 67 N HA 0.206 4.946 4.740 -0.000 0.000 0.259 67 N C -0.266 175.379 175.510 0.224 0.000 1.167 67 N CA 0.063 53.217 53.050 0.173 0.000 0.949 67 N CB 0.237 38.825 38.487 0.167 0.000 1.212 67 N HN 0.414 nan 8.380 nan 0.000 0.493 68 I N 2.049 122.654 120.570 0.058 0.000 2.556 68 I HA 0.016 4.186 4.170 -0.000 0.000 0.284 68 I C 0.920 177.185 176.117 0.247 0.000 1.114 68 I CA 0.268 61.672 61.300 0.175 0.000 1.418 68 I CB 0.517 38.560 38.000 0.072 0.000 1.394 68 I HN 0.091 nan 8.210 nan 0.000 0.552 69 K N 6.381 126.964 120.400 0.305 0.000 2.259 69 K HA 0.566 4.886 4.320 -0.000 0.000 0.249 69 K C -1.303 175.446 176.600 0.249 0.000 0.942 69 K CA -0.768 55.627 56.287 0.180 0.000 0.816 69 K CB 2.420 34.999 32.500 0.131 0.000 1.155 69 K HN 0.504 nan 8.250 nan 0.000 0.428 70 Y N -1.853 118.532 120.300 0.142 0.000 2.581 70 Y HA 0.404 4.954 4.550 -0.001 0.000 0.345 70 Y C -0.975 174.992 175.900 0.112 0.000 1.036 70 Y CA -1.512 56.672 58.100 0.140 0.000 1.042 70 Y CB 1.182 39.743 38.460 0.169 0.000 1.289 70 Y HN 0.396 nan 8.280 nan 0.000 0.471 71 D N 2.865 123.417 120.400 0.254 0.000 2.313 71 D HA 0.347 4.986 4.640 -0.000 0.000 0.239 71 D C -1.952 174.510 176.300 0.270 0.000 1.142 71 D CA -2.680 51.410 54.000 0.150 0.000 0.847 71 D CB 1.740 42.600 40.800 0.099 0.000 1.082 71 D HN 0.373 nan 8.370 nan 0.000 0.480 72 P HA -0.063 nan 4.420 nan 0.000 0.219 72 P C 1.255 178.690 177.300 0.223 0.000 1.146 72 P CA 0.807 64.095 63.100 0.312 0.000 0.808 72 P CB 0.219 32.041 31.700 0.203 0.000 0.779 73 L N -0.853 120.451 121.223 0.134 0.000 2.599 73 L HA 0.060 4.399 4.340 -0.000 0.000 0.230 73 L C 2.342 179.239 176.870 0.046 0.000 1.141 73 L CA 0.459 55.349 54.840 0.083 0.000 0.877 73 L CB -0.542 41.544 42.059 0.045 0.000 1.009 73 L HN -0.018 nan 8.230 nan 0.000 0.447 74 K N 0.450 120.863 120.400 0.022 0.000 2.097 74 K HA -0.122 4.197 4.320 -0.000 0.000 0.205 74 K C -0.028 176.415 176.600 -0.262 0.000 1.050 74 K CA 1.049 57.237 56.287 -0.166 0.000 0.938 74 K CB 0.109 32.439 32.500 -0.283 0.000 0.718 74 K HN 0.120 nan 8.250 nan 0.000 0.442 75 Y N 0.914 121.322 120.300 0.180 0.000 2.361 75 Y HA 0.209 4.759 4.550 0.000 0.000 0.332 75 Y C 0.075 176.043 175.900 0.114 0.000 1.101 75 Y CA -0.977 57.222 58.100 0.165 0.000 1.137 75 Y CB 1.408 39.920 38.460 0.087 0.000 1.207 75 Y HN 0.275 nan 8.280 nan 0.000 0.463 76 N N -0.216 118.620 118.700 0.226 0.000 3.344 76 N HA 0.476 5.215 4.740 -0.000 0.000 0.296 76 N C -0.016 175.537 175.510 0.071 0.000 1.571 76 N CA -0.407 52.701 53.050 0.097 0.000 0.844 76 N CB 0.383 38.872 38.487 0.004 0.000 1.718 76 N HN 0.470 nan 8.380 nan 0.000 0.589 77 A N -1.291 121.509 122.820 -0.032 0.000 2.024 77 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 77 A C 0.781 178.489 177.584 0.206 0.000 1.164 77 A CA 1.458 53.517 52.037 0.036 0.000 0.643 77 A CB -1.041 17.954 19.000 -0.008 0.000 0.806 77 A HN 0.681 nan 8.150 nan 0.000 0.451 78 H N -2.266 116.864 119.070 0.100 0.000 2.551 78 H HA 0.202 4.757 4.556 -0.001 0.000 0.271 78 H C 0.004 175.443 175.328 0.185 0.000 0.984 78 H CA 0.403 56.514 56.048 0.106 0.000 1.164 78 H CB -0.034 29.777 29.762 0.083 0.000 1.437 78 H HN 0.681 nan 8.280 nan 0.000 0.550 79 H N 0.467 119.641 119.070 0.173 0.000 2.941 79 H HA 0.225 4.781 4.556 0.000 0.000 0.291 79 H C -0.809 174.675 175.328 0.259 0.000 1.361 79 H CA -0.254 55.900 56.048 0.176 0.000 1.606 79 H CB 0.567 30.409 29.762 0.133 0.000 1.848 79 H HN 0.113 nan 8.280 nan 0.000 0.601 80 K N 2.316 122.692 120.400 -0.040 0.000 2.087 80 K HA 0.245 4.565 4.320 -0.000 0.000 0.255 80 K C -0.393 176.036 176.600 -0.286 0.000 0.988 80 K CA -1.099 55.145 56.287 -0.072 0.000 0.915 80 K CB 2.017 34.467 32.500 -0.083 0.000 1.043 80 K HN 0.153 nan 8.250 nan 0.000 0.457 81 L N 2.461 123.385 121.223 -0.500 0.000 2.281 81 L HA 0.207 4.547 4.340 -0.000 0.000 0.285 81 L C -0.642 175.958 176.870 -0.450 0.000 1.074 81 L CA -0.113 54.301 54.840 -0.710 0.000 0.817 81 L CB 0.393 41.836 42.059 -1.027 0.000 1.168 81 L HN 0.339 nan 8.230 nan 0.000 0.434 82 K N 4.119 124.280 120.400 -0.398 0.000 2.234 82 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 82 K C -1.522 174.742 176.600 -0.559 0.000 1.038 82 K CA -0.357 55.655 56.287 -0.457 0.000 0.888 82 K CB 1.000 33.275 32.500 -0.374 0.000 1.091 82 K HN 0.433 nan 8.250 nan 0.000 0.467 83 V N 6.158 125.631 119.914 -0.736 0.000 2.384 83 V HA 0.458 4.577 4.120 -0.000 0.000 0.287 83 V C -0.853 174.717 176.094 -0.874 0.000 1.020 83 V CA -0.675 61.141 62.300 -0.807 0.000 0.850 83 V CB 0.783 31.944 31.823 -1.104 0.000 0.987 83 V HN 0.609 nan 8.190 nan 0.000 0.436 84 F N 3.650 123.347 119.950 -0.422 0.000 2.361 84 F HA 0.485 5.012 4.527 -0.001 0.000 0.364 84 F C 0.192 175.810 175.800 -0.303 0.000 1.117 84 F CA -0.740 57.071 58.000 -0.316 0.000 1.071 84 F CB 1.757 40.638 39.000 -0.198 0.000 1.188 84 F HN 0.197 nan 8.300 nan 0.000 0.464 85 V N 5.255 125.130 119.914 -0.064 0.000 2.385 85 V HA 0.236 4.356 4.120 -0.000 0.000 0.269 85 V C -0.165 176.028 176.094 0.165 0.000 1.043 85 V CA -0.596 61.733 62.300 0.047 0.000 0.906 85 V CB 1.183 33.109 31.823 0.173 0.000 0.995 85 V HN 0.424 nan 8.190 nan 0.000 0.467 86 V N 8.503 128.464 119.914 0.078 0.000 2.275 86 V HA 0.307 4.427 4.120 -0.000 0.000 0.272 86 V C -2.341 173.789 176.094 0.060 0.000 1.028 86 V CA -1.925 60.385 62.300 0.017 0.000 0.810 86 V CB 1.370 33.111 31.823 -0.136 0.000 1.043 86 V HN 0.720 nan 8.190 nan 0.000 0.453 87 P HA 0.324 nan 4.420 nan 0.000 0.271 87 P C -0.839 176.456 177.300 -0.008 0.000 1.216 87 P CA 0.257 63.330 63.100 -0.044 0.000 0.771 87 P CB 0.354 31.842 31.700 -0.352 0.000 0.864 88 H N -1.082 117.977 119.070 -0.018 0.000 3.017 88 H HA 0.790 5.346 4.556 -0.000 0.000 0.346 88 H C -1.484 173.930 175.328 0.143 0.000 1.286 88 H CA -1.122 54.815 56.048 -0.184 0.000 1.120 88 H CB 1.010 30.627 29.762 -0.242 0.000 1.860 88 H HN 0.191 nan 8.280 nan 0.000 0.542 89 S N 0.740 116.435 115.700 -0.009 0.000 2.776 89 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 89 S C -1.834 172.679 174.600 -0.146 0.000 1.160 89 S CA -0.664 57.571 58.200 0.058 0.000 1.051 89 S CB 0.146 63.550 63.200 0.340 0.000 1.037 89 S HN 0.834 nan 8.310 nan 0.000 0.485 90 H N 4.159 123.118 119.070 -0.186 0.000 2.782 90 H HA 0.503 5.058 4.556 -0.000 0.000 0.285 90 H C -0.630 174.296 175.328 -0.670 0.000 1.093 90 H CA 0.119 55.976 56.048 -0.319 0.000 1.410 90 H CB 0.232 29.860 29.762 -0.223 0.000 1.439 90 H HN 0.510 nan 8.280 nan 0.000 0.469 91 N N 4.798 122.871 118.700 -1.046 0.000 2.626 91 N HA 0.116 4.856 4.740 -0.000 0.000 0.242 91 N C -1.326 173.749 175.510 -0.725 0.000 1.005 91 N CA -0.630 51.670 53.050 -1.251 0.000 0.905 91 N CB 0.812 38.844 38.487 -0.758 0.000 1.128 91 N HN 0.567 nan 8.380 nan 0.000 0.512 92 D N 2.199 122.187 120.400 -0.687 0.000 2.401 92 D HA 0.067 4.707 4.640 -0.000 0.000 0.254 92 D C -2.041 174.315 176.300 0.094 0.000 1.192 92 D CA -0.853 53.015 54.000 -0.221 0.000 0.885 92 D CB 1.086 41.990 40.800 0.173 0.000 1.147 92 D HN 0.256 nan 8.370 nan 0.000 0.478 93 P HA 0.193 nan 4.420 nan 0.000 0.230 93 P C -0.003 177.495 177.300 0.330 0.000 1.791 93 P CA 0.018 63.118 63.100 -0.000 0.000 1.020 93 P CB 0.216 31.760 31.700 -0.259 0.000 1.977 94 G N 0.357 109.550 108.800 0.654 0.000 2.911 94 G HA2 0.012 3.972 3.960 -0.000 0.000 0.686 94 G HA3 0.012 3.972 3.960 -0.000 0.000 0.686 94 G C -1.109 174.348 174.900 0.928 0.000 1.136 94 G CA -0.659 44.859 45.100 0.697 0.000 0.764 94 G HN 0.347 nan 8.290 nan 0.000 0.626 95 W N 1.977 123.623 121.300 0.577 0.000 4.489 95 W HA 0.223 4.882 4.660 -0.000 0.000 0.161 95 W C 1.712 178.407 176.519 0.293 0.000 3.472 95 W CA 1.183 58.825 57.345 0.496 0.000 1.144 95 W CB -0.843 28.991 29.460 0.623 0.000 2.110 95 W HN 0.975 nan 8.180 nan 0.000 0.358 96 I N 0.967 121.590 120.570 0.088 0.000 3.860 96 I HA 0.278 4.448 4.170 -0.000 0.000 0.319 96 I C -0.006 176.008 176.117 -0.171 0.000 1.279 96 I CA 0.643 61.810 61.300 -0.222 0.000 1.220 96 I CB -0.000 37.753 38.000 -0.411 0.000 1.027 96 I HN -0.089 nan 8.210 nan 0.000 0.428 97 Q N 2.139 121.683 119.800 -0.427 0.000 2.433 97 Q HA 0.364 4.704 4.340 -0.000 0.000 0.279 97 Q C -0.168 175.571 176.000 -0.435 0.000 1.105 97 Q CA -0.333 55.128 55.803 -0.569 0.000 0.815 97 Q CB 2.420 30.495 28.738 -1.104 0.000 1.403 97 Q HN 0.335 nan 8.270 nan 0.000 0.435 98 T N -2.218 112.202 114.554 -0.223 0.000 2.766 98 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 98 T C 1.126 175.907 174.700 0.134 0.000 1.024 98 T CA -0.413 61.639 62.100 -0.079 0.000 1.018 98 T CB 0.258 69.110 68.868 -0.027 0.000 1.002 98 T HN 0.522 nan 8.240 nan 0.000 0.532 99 F N 1.237 121.260 119.950 0.122 0.000 2.063 99 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 99 F C 2.466 178.450 175.800 0.306 0.000 1.109 99 F CA 2.460 60.605 58.000 0.241 0.000 1.212 99 F CB -0.356 38.679 39.000 0.059 0.000 0.973 99 F HN 0.788 nan 8.300 nan 0.000 0.480 100 E N 0.322 120.718 120.200 0.327 0.000 2.107 100 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 100 E C 2.002 178.647 176.600 0.075 0.000 0.982 100 E CA 1.654 58.193 56.400 0.233 0.000 0.809 100 E CB -0.282 29.556 29.700 0.230 0.000 0.756 100 E HN 0.617 nan 8.360 nan 0.000 0.459 101 E N -0.943 119.244 120.200 -0.022 0.000 2.051 101 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 101 E C 1.824 178.231 176.600 -0.322 0.000 0.991 101 E CA 1.238 57.473 56.400 -0.275 0.000 0.799 101 E CB -0.263 29.351 29.700 -0.144 0.000 0.748 101 E HN 0.342 nan 8.360 nan 0.000 0.449 102 Y N -0.502 119.754 120.300 -0.074 0.000 2.224 102 Y HA -0.247 4.302 4.550 -0.000 0.000 0.289 102 Y C 2.189 178.019 175.900 -0.116 0.000 1.146 102 Y CA 1.140 59.177 58.100 -0.104 0.000 1.182 102 Y CB -0.766 37.714 38.460 0.033 0.000 0.983 102 Y HN 0.189 nan 8.280 nan 0.000 0.524 103 Y N 0.914 121.224 120.300 0.016 0.000 2.128 103 Y HA -0.304 4.245 4.550 -0.001 0.000 0.284 103 Y C 2.312 178.173 175.900 -0.064 0.000 1.154 103 Y CA 2.013 60.076 58.100 -0.061 0.000 1.149 103 Y CB -0.366 38.052 38.460 -0.071 0.000 0.976 103 Y HN 0.048 nan 8.280 nan 0.000 0.505 104 Q N -0.650 119.035 119.800 -0.191 0.000 2.119 104 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 104 Q C 2.091 178.049 176.000 -0.069 0.000 0.972 104 Q CA 2.147 57.812 55.803 -0.229 0.000 0.847 104 Q CB -0.532 28.103 28.738 -0.172 0.000 0.903 104 Q HN 0.785 nan 8.270 nan 0.000 0.433 105 H N -0.871 118.222 119.070 0.039 0.000 2.497 105 H HA 0.070 4.626 4.556 -0.001 0.000 0.282 105 H C 0.915 176.335 175.328 0.153 0.000 1.003 105 H CA 0.572 56.675 56.048 0.091 0.000 1.307 105 H CB 0.694 30.474 29.762 0.030 0.000 1.437 105 H HN 0.177 nan 8.280 nan 0.000 0.544 106 D N -1.041 119.469 120.400 0.184 0.000 3.081 106 D HA 0.012 4.652 4.640 -0.000 0.000 0.243 106 D C 1.731 178.095 176.300 0.106 0.000 1.388 106 D CA 0.552 54.647 54.000 0.159 0.000 1.245 106 D CB 0.024 40.822 40.800 -0.004 0.000 1.319 106 D HN 0.055 nan 8.370 nan 0.000 0.377 107 T N 2.507 117.041 114.554 -0.034 0.000 2.821 107 T HA -0.133 4.216 4.350 -0.000 0.000 0.267 107 T C 1.924 176.470 174.700 -0.256 0.000 1.046 107 T CA 1.382 63.427 62.100 -0.092 0.000 1.139 107 T CB -0.057 68.603 68.868 -0.346 0.000 0.871 107 T HN 0.243 nan 8.240 nan 0.000 0.454 108 K N 0.753 120.818 120.400 -0.557 0.000 2.148 108 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 108 K C 1.915 178.261 176.600 -0.423 0.000 1.050 108 K CA 1.352 57.284 56.287 -0.591 0.000 0.942 108 K CB -0.364 31.576 32.500 -0.932 0.000 0.724 108 K HN 0.391 nan 8.250 nan 0.000 0.446 109 H N 1.054 120.059 119.070 -0.109 0.000 2.395 109 H HA 0.060 4.616 4.556 -0.001 0.000 0.299 109 H C 2.289 177.627 175.328 0.018 0.000 1.070 109 H CA 1.365 57.405 56.048 -0.013 0.000 1.356 109 H CB -0.145 29.633 29.762 0.027 0.000 1.401 109 H HN 0.183 nan 8.280 nan 0.000 0.524 110 I N 0.746 121.406 120.570 0.149 0.000 2.163 110 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 110 I C 2.429 178.577 176.117 0.052 0.000 1.085 110 I CA 1.177 62.613 61.300 0.227 0.000 1.347 110 I CB -0.264 37.940 38.000 0.340 0.000 1.044 110 I HN 0.095 nan 8.210 nan 0.000 0.408 111 L N -0.460 120.568 121.223 -0.324 0.000 2.109 111 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 111 L C 2.674 179.206 176.870 -0.562 0.000 1.086 111 L CA 0.894 55.306 54.840 -0.713 0.000 0.760 111 L CB -0.448 40.632 42.059 -1.632 0.000 0.910 111 L HN 0.159 nan 8.230 nan 0.000 0.437 112 S N 0.156 115.653 115.700 -0.338 0.000 2.359 112 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 112 S C 1.716 176.289 174.600 -0.045 0.000 1.035 112 S CA 1.449 59.674 58.200 0.041 0.000 1.018 112 S CB -0.267 63.012 63.200 0.131 0.000 0.876 112 S HN 0.456 nan 8.310 nan 0.000 0.448 113 N N 1.486 120.149 118.700 -0.062 0.000 2.300 113 N HA 0.128 4.868 4.740 -0.000 0.000 0.179 113 N C 1.744 176.906 175.510 -0.580 0.000 1.016 113 N CA 0.974 53.913 53.050 -0.185 0.000 0.876 113 N CB -0.545 37.944 38.487 0.004 0.000 0.979 113 N HN 0.386 nan 8.380 nan 0.000 0.432 114 A N 1.202 123.756 122.820 -0.445 0.000 1.902 114 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 114 A C 2.196 179.500 177.584 -0.468 0.000 1.181 114 A CA 0.973 52.587 52.037 -0.705 0.000 0.623 114 A CB -0.716 18.152 19.000 -0.219 0.000 0.818 114 A HN 0.228 nan 8.150 nan 0.000 0.443 115 L N 0.134 121.226 121.223 -0.217 0.000 2.012 115 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 115 L C 2.480 179.276 176.870 -0.122 0.000 1.073 115 L CA 2.589 57.377 54.840 -0.088 0.000 0.748 115 L CB -0.662 41.414 42.059 0.029 0.000 0.891 115 L HN 0.504 nan 8.230 nan 0.000 0.431 116 R N -1.695 118.702 120.500 -0.172 0.000 2.073 116 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 116 R C 2.411 178.604 176.300 -0.178 0.000 1.134 116 R CA 1.971 57.986 56.100 -0.142 0.000 0.952 116 R CB -0.559 29.667 30.300 -0.124 0.000 0.850 116 R HN 0.580 nan 8.270 nan 0.000 0.433 117 H N 0.047 118.821 119.070 -0.494 0.000 2.395 117 H HA 0.046 4.602 4.556 -0.001 0.000 0.299 117 H C 2.050 177.151 175.328 -0.378 0.000 1.070 117 H CA 1.687 57.423 56.048 -0.521 0.000 1.356 117 H CB 0.069 29.223 29.762 -1.013 0.000 1.401 117 H HN 0.146 nan 8.280 nan 0.000 0.524 118 L N -0.646 120.395 121.223 -0.303 0.000 2.056 118 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 118 L C 2.587 179.408 176.870 -0.082 0.000 1.078 118 L CA 1.425 56.172 54.840 -0.156 0.000 0.749 118 L CB -0.697 41.292 42.059 -0.117 0.000 0.901 118 L HN 0.498 nan 8.230 nan 0.000 0.433 119 H N 0.633 119.618 119.070 -0.142 0.000 2.319 119 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 119 H C 1.252 176.515 175.328 -0.108 0.000 1.097 119 H CA 2.159 58.149 56.048 -0.096 0.000 1.285 119 H CB 0.215 29.928 29.762 -0.081 0.000 1.368 119 H HN 0.330 nan 8.280 nan 0.000 0.495 120 D N 0.094 120.422 120.400 -0.120 0.000 2.347 120 D HA -0.011 4.628 4.640 -0.000 0.000 0.213 120 D C -0.082 176.096 176.300 -0.204 0.000 0.985 120 D CA 0.473 54.367 54.000 -0.177 0.000 0.879 120 D CB -0.130 40.580 40.800 -0.150 0.000 0.919 120 D HN 0.393 nan 8.370 nan 0.000 0.526 121 N N 0.160 118.739 118.700 -0.201 0.000 2.716 121 N HA 0.186 4.926 4.740 -0.000 0.000 0.253 121 N C -2.207 173.270 175.510 -0.054 0.000 1.170 121 N CA -1.087 51.888 53.050 -0.126 0.000 0.807 121 N CB 2.225 40.626 38.487 -0.144 0.000 1.183 121 N HN -0.201 nan 8.380 nan 0.000 0.524 122 P HA -0.142 nan 4.420 nan 0.000 0.221 122 P C 0.646 177.966 177.300 0.034 0.000 1.145 122 P CA 1.117 64.203 63.100 -0.022 0.000 0.795 122 P CB 0.407 32.089 31.700 -0.030 0.000 0.775 123 E N -1.668 118.583 120.200 0.085 0.000 2.474 123 E HA 0.062 4.411 4.350 -0.000 0.000 0.194 123 E C 0.808 177.544 176.600 0.227 0.000 1.041 123 E CA 0.030 56.527 56.400 0.162 0.000 0.874 123 E CB -0.354 29.471 29.700 0.208 0.000 0.914 123 E HN 0.259 nan 8.360 nan 0.000 0.498 124 M N 1.612 121.282 119.600 0.117 0.000 2.243 124 M HA 0.094 4.573 4.480 -0.000 0.000 0.341 124 M C -0.314 175.977 176.300 -0.015 0.000 1.130 124 M CA 0.254 55.529 55.300 -0.042 0.000 1.162 124 M CB 0.485 33.064 32.600 -0.034 0.000 1.497 124 M HN -0.355 nan 8.290 nan 0.000 0.456 125 K N 3.099 123.456 120.400 -0.072 0.000 2.444 125 K HA 0.647 4.967 4.320 -0.000 0.000 0.252 125 K C -1.736 174.906 176.600 0.070 0.000 0.993 125 K CA -0.492 55.807 56.287 0.021 0.000 0.847 125 K CB 2.225 34.761 32.500 0.060 0.000 1.340 125 K HN 0.669 nan 8.250 nan 0.000 0.446 126 F N 1.521 121.393 119.950 -0.130 0.000 2.672 126 F HA 0.433 4.960 4.527 -0.000 0.000 0.311 126 F C -1.396 174.302 175.800 -0.169 0.000 1.113 126 F CA -1.286 56.623 58.000 -0.151 0.000 0.996 126 F CB 1.034 40.023 39.000 -0.017 0.000 1.286 126 F HN 0.460 nan 8.300 nan 0.000 0.441 127 I N 1.823 122.076 120.570 -0.528 0.000 2.648 127 I HA 0.603 4.773 4.170 -0.000 0.000 0.304 127 I C -1.685 174.017 176.117 -0.692 0.000 1.009 127 I CA -0.595 60.351 61.300 -0.591 0.000 1.114 127 I CB 2.463 40.050 38.000 -0.687 0.000 1.293 127 I HN 0.691 nan 8.210 nan 0.000 0.449 128 W N 4.591 125.513 121.300 -0.630 0.000 2.957 128 W HA 0.630 5.289 4.660 -0.000 0.000 0.336 128 W C -0.745 175.694 176.519 -0.134 0.000 1.087 128 W CA -0.541 56.561 57.345 -0.404 0.000 1.235 128 W CB 2.663 31.939 29.460 -0.307 0.000 1.399 128 W HN 0.794 nan 8.180 nan 0.000 0.480 129 A N 3.500 125.971 122.820 -0.582 0.000 1.984 129 A HA 0.166 4.486 4.320 -0.000 0.000 0.203 129 A C -0.058 177.484 177.584 -0.069 0.000 1.292 129 A CA 0.526 52.450 52.037 -0.188 0.000 0.782 129 A CB 0.034 18.977 19.000 -0.095 0.000 0.924 129 A HN 0.500 nan 8.150 nan 0.000 0.475 130 E N 0.928 120.989 120.200 -0.231 0.000 2.014 130 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 130 E C 0.421 177.184 176.600 0.272 0.000 0.997 130 E CA -0.305 56.114 56.400 0.031 0.000 0.804 130 E CB 0.878 30.587 29.700 0.016 0.000 1.090 130 E HN 0.270 nan 8.360 nan 0.000 0.401 131 I N 1.508 122.132 120.570 0.091 0.000 2.676 131 I HA -0.196 3.974 4.170 -0.000 0.000 0.259 131 I C 1.992 177.765 176.117 -0.574 0.000 1.194 131 I CA 0.915 62.192 61.300 -0.039 0.000 1.473 131 I CB -1.363 36.666 38.000 0.048 0.000 1.096 131 I HN 0.425 nan 8.210 nan 0.000 0.443 132 S N 0.946 115.996 115.700 -1.083 0.000 2.365 132 S HA -0.270 4.200 4.470 -0.000 0.000 0.225 132 S C 2.194 176.494 174.600 -0.499 0.000 1.039 132 S CA 1.341 58.535 58.200 -1.676 0.000 1.033 132 S CB -1.169 61.062 63.200 -1.615 0.000 0.887 132 S HN 0.476 nan 8.310 nan 0.000 0.447 133 Y N 0.145 120.459 120.300 0.024 0.000 2.200 133 Y HA 0.033 4.583 4.550 -0.001 0.000 0.290 133 Y C 2.319 178.278 175.900 0.099 0.000 1.137 133 Y CA 1.126 59.340 58.100 0.190 0.000 1.163 133 Y CB -0.444 38.221 38.460 0.341 0.000 0.988 133 Y HN 0.297 nan 8.280 nan 0.000 0.518 134 F N 0.221 120.245 119.950 0.122 0.000 2.134 134 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 134 F C 2.348 177.977 175.800 -0.285 0.000 1.097 134 F CA 1.242 59.185 58.000 -0.096 0.000 1.264 134 F CB -0.435 38.494 39.000 -0.118 0.000 1.001 134 F HN -0.012 nan 8.300 nan 0.000 0.479 135 A N 0.179 122.660 122.820 -0.566 0.000 1.902 135 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 135 A C 2.141 179.622 177.584 -0.172 0.000 1.181 135 A CA 1.787 53.327 52.037 -0.828 0.000 0.623 135 A CB -0.771 17.591 19.000 -1.062 0.000 0.818 135 A HN 0.400 nan 8.150 nan 0.000 0.443 136 R N -1.013 119.422 120.500 -0.109 0.000 2.091 136 R HA -0.158 4.181 4.340 -0.000 0.000 0.238 136 R C 1.775 178.031 176.300 -0.074 0.000 1.136 136 R CA 2.130 58.172 56.100 -0.097 0.000 0.959 136 R CB -0.859 29.310 30.300 -0.218 0.000 0.856 136 R HN 0.487 nan 8.270 nan 0.000 0.437 137 F N -0.333 119.537 119.950 -0.134 0.000 2.084 137 F HA -0.130 4.396 4.527 -0.000 0.000 0.296 137 F C 1.983 177.711 175.800 -0.121 0.000 1.111 137 F CA 1.675 59.652 58.000 -0.038 0.000 1.224 137 F CB -0.803 38.111 39.000 -0.143 0.000 0.991 137 F HN 0.134 nan 8.300 nan 0.000 0.471 138 Y N 0.171 120.261 120.300 -0.350 0.000 2.224 138 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 138 Y C 2.704 178.423 175.900 -0.302 0.000 1.146 138 Y CA 2.199 60.077 58.100 -0.370 0.000 1.182 138 Y CB -0.749 37.626 38.460 -0.143 0.000 0.983 138 Y HN 0.135 nan 8.280 nan 0.000 0.524 139 H N -0.689 118.373 119.070 -0.012 0.000 2.491 139 H HA -0.087 4.468 4.556 -0.000 0.000 0.290 139 H C 1.030 176.250 175.328 -0.179 0.000 1.050 139 H CA 1.517 57.519 56.048 -0.077 0.000 1.309 139 H CB -0.064 29.709 29.762 0.019 0.000 1.392 139 H HN 0.443 nan 8.280 nan 0.000 0.554 140 D N 0.043 120.361 120.400 -0.137 0.000 2.349 140 D HA 0.068 4.707 4.640 -0.000 0.000 0.215 140 D C 0.586 176.715 176.300 -0.285 0.000 1.016 140 D CA 0.041 53.942 54.000 -0.165 0.000 0.870 140 D CB 0.285 41.019 40.800 -0.110 0.000 0.917 140 D HN 0.190 nan 8.370 nan 0.000 0.524 141 L N 0.720 121.674 121.223 -0.448 0.000 2.426 141 L HA 0.279 4.619 4.340 -0.000 0.000 0.271 141 L C 1.412 178.098 176.870 -0.307 0.000 1.169 141 L CA -0.542 54.024 54.840 -0.456 0.000 0.836 141 L CB 0.848 42.560 42.059 -0.578 0.000 1.112 141 L HN -0.020 nan 8.230 nan 0.000 0.465 142 G N 1.129 109.798 108.800 -0.219 0.000 2.664 142 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.242 142 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.242 142 G C 0.675 175.482 174.900 -0.156 0.000 1.225 142 G CA -0.281 44.728 45.100 -0.152 0.000 0.849 142 G HN 0.822 nan 8.290 nan 0.000 0.581 143 E N 0.189 120.326 120.200 -0.105 0.000 2.110 143 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 143 E C 2.212 178.776 176.600 -0.060 0.000 0.988 143 E CA 1.520 57.872 56.400 -0.079 0.000 0.804 143 E CB -0.105 29.573 29.700 -0.037 0.000 0.745 143 E HN 0.586 nan 8.360 nan 0.000 0.458 144 N N 0.326 118.993 118.700 -0.056 0.000 2.084 144 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 144 N C 1.408 176.887 175.510 -0.051 0.000 1.030 144 N CA 1.317 54.341 53.050 -0.043 0.000 0.849 144 N CB 0.013 38.472 38.487 -0.046 0.000 1.012 144 N HN 0.066 nan 8.380 nan 0.000 0.423 145 K N 1.103 121.454 120.400 -0.081 0.000 2.097 145 K HA -0.038 4.281 4.320 -0.000 0.000 0.205 145 K C 2.025 178.598 176.600 -0.046 0.000 1.050 145 K CA 0.646 56.886 56.287 -0.077 0.000 0.938 145 K CB -0.137 32.296 32.500 -0.112 0.000 0.718 145 K HN 0.332 nan 8.250 nan 0.000 0.442 146 K N 0.917 121.249 120.400 -0.114 0.000 2.063 146 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 146 K C 2.279 178.963 176.600 0.140 0.000 1.048 146 K CA 1.063 57.309 56.287 -0.068 0.000 0.928 146 K CB -0.211 32.131 32.500 -0.264 0.000 0.713 146 K HN 0.054 nan 8.250 nan 0.000 0.442 147 L N 1.054 122.324 121.223 0.079 0.000 2.046 147 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 147 L C 2.575 179.511 176.870 0.110 0.000 1.077 147 L CA 1.314 56.214 54.840 0.100 0.000 0.747 147 L CB -0.407 41.687 42.059 0.059 0.000 0.896 147 L HN 0.269 nan 8.230 nan 0.000 0.432 148 Q N -0.867 118.980 119.800 0.078 0.000 2.124 148 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 148 Q C 2.204 178.291 176.000 0.145 0.000 0.977 148 Q CA 1.664 57.519 55.803 0.086 0.000 0.850 148 Q CB -0.171 28.557 28.738 -0.016 0.000 0.901 148 Q HN 0.371 nan 8.270 nan 0.000 0.429 149 M N 1.158 120.873 119.600 0.192 0.000 2.086 149 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 149 M C 1.633 178.112 176.300 0.298 0.000 1.067 149 M CA 1.749 57.225 55.300 0.293 0.000 1.116 149 M CB 0.032 32.897 32.600 0.441 0.000 1.348 149 M HN -0.103 nan 8.290 nan 0.000 0.407 150 K N -0.984 119.590 120.400 0.290 0.000 2.103 150 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 150 K C 2.280 178.975 176.600 0.158 0.000 1.048 150 K CA 1.620 58.043 56.287 0.226 0.000 0.930 150 K CB -0.450 32.170 32.500 0.200 0.000 0.716 150 K HN 0.426 nan 8.250 nan 0.000 0.444 151 S N 1.481 117.265 115.700 0.141 0.000 2.383 151 S HA -0.082 4.387 4.470 -0.000 0.000 0.227 151 S C 1.952 176.609 174.600 0.094 0.000 1.026 151 S CA 0.993 59.256 58.200 0.106 0.000 0.981 151 S CB -0.231 63.032 63.200 0.104 0.000 0.818 151 S HN 0.394 nan 8.310 nan 0.000 0.472 152 I N -0.849 119.787 120.570 0.110 0.000 2.676 152 I HA 0.052 4.222 4.170 -0.000 0.000 0.259 152 I C 1.837 177.989 176.117 0.057 0.000 1.194 152 I CA 0.692 62.038 61.300 0.077 0.000 1.473 152 I CB -0.360 37.687 38.000 0.078 0.000 1.096 152 I HN 0.096 nan 8.210 nan 0.000 0.443 153 V N 1.597 121.563 119.914 0.086 0.000 2.346 153 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 153 V C 2.702 178.830 176.094 0.057 0.000 1.037 153 V CA 2.058 64.397 62.300 0.065 0.000 1.029 153 V CB -0.718 31.203 31.823 0.164 0.000 0.663 153 V HN 0.427 nan 8.190 nan 0.000 0.454 154 K N 0.400 120.841 120.400 0.069 0.000 2.147 154 K HA -0.129 4.190 4.320 -0.000 0.000 0.205 154 K C 1.445 178.063 176.600 0.029 0.000 1.049 154 K CA 1.430 57.746 56.287 0.048 0.000 0.936 154 K CB -0.062 32.468 32.500 0.050 0.000 0.722 154 K HN 0.438 nan 8.250 nan 0.000 0.446 155 N N -0.431 118.286 118.700 0.029 0.000 2.268 155 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 155 N C 0.420 175.935 175.510 0.008 0.000 1.124 155 N CA 0.875 53.935 53.050 0.017 0.000 0.838 155 N CB 1.320 39.818 38.487 0.018 0.000 0.994 155 N HN 0.438 nan 8.380 nan 0.000 0.489 156 G N 1.085 109.886 108.800 0.002 0.000 2.176 156 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.253 156 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.253 156 G C 0.898 175.787 174.900 -0.017 0.000 0.979 156 G CA 0.172 45.264 45.100 -0.013 0.000 0.641 156 G HN 0.373 nan 8.290 nan 0.000 0.530 157 Q N -1.275 118.522 119.800 -0.005 0.000 2.096 157 Q HA 0.232 4.572 4.340 -0.000 0.000 0.197 157 Q C 1.139 177.136 176.000 -0.005 0.000 0.964 157 Q CA 0.962 56.767 55.803 0.004 0.000 0.838 157 Q CB 0.211 28.956 28.738 0.012 0.000 0.906 157 Q HN 0.559 nan 8.270 nan 0.000 0.444 158 L N 1.392 122.593 121.223 -0.037 0.000 2.265 158 L HA 0.278 4.618 4.340 -0.000 0.000 0.289 158 L C -0.917 175.786 176.870 -0.279 0.000 1.033 158 L CA -0.005 54.767 54.840 -0.113 0.000 0.814 158 L CB 1.347 43.349 42.059 -0.095 0.000 1.203 158 L HN -0.066 nan 8.230 nan 0.000 0.423 159 E N 4.571 124.568 120.200 -0.339 0.000 2.199 159 E HA 0.337 4.687 4.350 -0.000 0.000 0.265 159 E C -1.406 174.932 176.600 -0.435 0.000 0.882 159 E CA -0.704 55.499 56.400 -0.328 0.000 0.759 159 E CB 0.931 30.519 29.700 -0.187 0.000 1.148 159 E HN 0.529 nan 8.360 nan 0.000 0.412 160 F N 3.226 123.131 119.950 -0.075 0.000 2.443 160 F HA 0.208 4.734 4.527 -0.001 0.000 0.353 160 F C 0.352 176.122 175.800 -0.051 0.000 1.101 160 F CA -0.518 57.449 58.000 -0.054 0.000 1.226 160 F CB 1.168 40.145 39.000 -0.038 0.000 1.140 160 F HN 0.197 nan 8.300 nan 0.000 0.557 161 V N 0.045 120.023 119.914 0.107 0.000 2.448 161 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 161 V C 0.176 176.395 176.094 0.209 0.000 1.025 161 V CA -0.478 61.877 62.300 0.092 0.000 0.859 161 V CB 0.864 32.629 31.823 -0.096 0.000 0.988 161 V HN 1.001 nan 8.190 nan 0.000 0.431 162 T N 3.353 118.102 114.554 0.325 0.000 12.940 162 T HA -0.306 4.044 4.350 -0.000 0.000 0.419 162 T C 1.771 176.695 174.700 0.373 0.000 1.444 162 T CA 2.765 65.104 62.100 0.398 0.000 2.373 162 T CB -1.695 67.314 68.868 0.234 0.000 2.821 162 T HN 2.773 nan 8.240 nan 0.000 0.696 163 G N 1.924 110.884 108.800 0.266 0.000 2.136 163 G HA2 0.108 4.068 3.960 -0.000 0.000 0.242 163 G HA3 0.108 4.068 3.960 -0.000 0.000 0.242 163 G C 0.329 175.367 174.900 0.231 0.000 0.989 163 G CA 0.586 45.818 45.100 0.220 0.000 0.682 163 G HN 1.583 nan 8.290 nan 0.000 0.522 164 G N -1.611 107.325 108.800 0.227 0.000 2.606 164 G HA2 0.349 4.309 3.960 -0.000 0.000 0.252 164 G HA3 0.349 4.309 3.960 -0.000 0.000 0.252 164 G C 0.997 176.070 174.900 0.289 0.000 1.206 164 G CA 0.205 45.450 45.100 0.242 0.000 0.861 164 G HN 0.339 nan 8.290 nan 0.000 0.561 165 W N 0.406 121.749 121.300 0.071 0.000 2.342 165 W HA -0.050 4.610 4.660 -0.001 0.000 0.297 165 W C 0.770 177.315 176.519 0.044 0.000 1.213 165 W CA 1.934 59.305 57.345 0.043 0.000 1.251 165 W CB 0.229 29.698 29.460 0.014 0.000 1.136 165 W HN 0.407 nan 8.180 nan 0.000 0.526 166 V N -2.680 117.348 119.914 0.190 0.000 3.105 166 V HA 0.504 4.624 4.120 -0.000 0.000 0.311 166 V C -0.420 175.757 176.094 0.138 0.000 1.287 166 V CA -1.276 61.082 62.300 0.096 0.000 1.066 166 V CB 1.724 33.619 31.823 0.120 0.000 1.105 166 V HN -0.056 nan 8.190 nan 0.000 0.462 167 M N 3.903 123.612 119.600 0.183 0.000 2.152 167 M HA 0.513 4.993 4.480 -0.000 0.000 0.354 167 M C -2.699 173.761 176.300 0.267 0.000 1.173 167 M CA -1.904 53.523 55.300 0.212 0.000 1.110 167 M CB 1.386 34.131 32.600 0.242 0.000 1.366 167 M HN 0.632 nan 8.290 nan 0.000 0.415 168 P HA 0.124 nan 4.420 nan 0.000 0.277 168 P C -0.935 176.382 177.300 0.029 0.000 1.240 168 P CA -0.203 62.953 63.100 0.093 0.000 0.798 168 P CB 0.554 32.295 31.700 0.067 0.000 0.979 169 D N 0.784 121.164 120.400 -0.033 0.000 2.506 169 D HA -0.092 4.548 4.640 -0.000 0.000 0.234 169 D C 0.743 177.060 176.300 0.029 0.000 1.143 169 D CA 0.770 54.733 54.000 -0.061 0.000 0.871 169 D CB 0.442 41.216 40.800 -0.044 0.000 1.190 169 D HN 0.309 nan 8.370 nan 0.000 0.459 170 E N 1.567 121.829 120.200 0.103 0.000 2.511 170 E HA 0.171 4.521 4.350 -0.000 0.000 0.209 170 E C 0.993 177.771 176.600 0.297 0.000 0.986 170 E CA 0.075 56.601 56.400 0.211 0.000 0.974 170 E CB 0.608 30.447 29.700 0.232 0.000 1.030 170 E HN 0.481 nan 8.360 nan 0.000 0.490 171 A N 1.556 124.503 122.820 0.213 0.000 1.901 171 A HA 0.003 4.323 4.320 -0.000 0.000 0.210 171 A C 1.830 179.304 177.584 -0.183 0.000 1.208 171 A CA 0.659 52.590 52.037 -0.175 0.000 0.644 171 A CB 0.014 18.894 19.000 -0.199 0.000 0.863 171 A HN 0.040 nan 8.150 nan 0.000 0.454 172 N N -0.124 118.558 118.700 -0.029 0.000 2.388 172 N HA 0.044 4.784 4.740 -0.000 0.000 0.176 172 N C 0.478 175.981 175.510 -0.012 0.000 1.062 172 N CA 0.284 53.313 53.050 -0.035 0.000 0.895 172 N CB 0.105 38.613 38.487 0.036 0.000 1.018 172 N HN 0.291 nan 8.380 nan 0.000 0.456 173 S N 0.762 116.465 115.700 0.006 0.000 2.562 173 S HA -0.040 4.430 4.470 -0.000 0.000 0.281 173 S C -0.176 174.441 174.600 0.028 0.000 1.333 173 S CA -0.358 57.856 58.200 0.024 0.000 1.052 173 S CB 0.264 63.482 63.200 0.030 0.000 0.884 173 S HN 0.226 nan 8.310 nan 0.000 0.506 174 H N 5.447 124.500 119.070 -0.028 0.000 2.582 174 H HA 0.065 4.621 4.556 -0.000 0.000 0.345 174 H C 1.359 176.666 175.328 -0.036 0.000 1.104 174 H CA -0.188 55.831 56.048 -0.048 0.000 1.390 174 H CB 0.453 30.138 29.762 -0.127 0.000 1.461 174 H HN 0.970 nan 8.280 nan 0.000 0.551 175 W N 5.852 127.059 121.300 -0.156 0.000 2.331 175 W HA -0.184 4.476 4.660 -0.000 0.000 0.291 175 W C 1.066 177.659 176.519 0.124 0.000 1.214 175 W CA 0.454 57.787 57.345 -0.021 0.000 1.228 175 W CB -0.474 28.910 29.460 -0.125 0.000 1.135 175 W HN 0.536 nan 8.180 nan 0.000 0.537 176 R N 0.789 120.924 120.500 -0.609 0.000 2.096 176 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 176 R C 2.024 178.167 176.300 -0.262 0.000 1.127 176 R CA 1.929 57.578 56.100 -0.751 0.000 0.968 176 R CB -0.418 29.380 30.300 -0.837 0.000 0.861 176 R HN 0.150 nan 8.270 nan 0.000 0.440 177 N N -0.206 118.422 118.700 -0.120 0.000 2.376 177 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 177 N C 1.734 177.250 175.510 0.010 0.000 1.024 177 N CA 0.713 53.734 53.050 -0.048 0.000 0.893 177 N CB -0.024 38.452 38.487 -0.018 0.000 0.980 177 N HN -0.003 nan 8.380 nan 0.000 0.439 178 V N 1.496 121.440 119.914 0.050 0.000 2.295 178 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 178 V C 2.349 178.490 176.094 0.078 0.000 1.049 178 V CA 1.109 63.456 62.300 0.078 0.000 1.024 178 V CB -0.519 31.370 31.823 0.109 0.000 0.648 178 V HN 0.192 nan 8.190 nan 0.000 0.447 179 L N -0.316 120.963 121.223 0.094 0.000 2.046 179 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 179 L C 2.194 179.078 176.870 0.023 0.000 1.077 179 L CA 1.811 56.699 54.840 0.080 0.000 0.747 179 L CB -0.712 41.428 42.059 0.135 0.000 0.896 179 L HN 0.277 nan 8.230 nan 0.000 0.432 180 L N -0.090 121.126 121.223 -0.013 0.000 1.990 180 L HA -0.274 4.065 4.340 -0.000 0.000 0.213 180 L C 2.620 179.482 176.870 -0.013 0.000 1.072 180 L CA 2.456 57.276 54.840 -0.033 0.000 0.755 180 L CB -0.805 41.216 42.059 -0.063 0.000 0.889 180 L HN 0.690 nan 8.230 nan 0.000 0.432 181 Q N -1.074 118.740 119.800 0.024 0.000 2.123 181 Q HA -0.193 4.147 4.340 -0.000 0.000 0.199 181 Q C 2.037 178.119 176.000 0.136 0.000 0.966 181 Q CA 2.015 57.865 55.803 0.078 0.000 0.845 181 Q CB -1.172 27.647 28.738 0.136 0.000 0.907 181 Q HN 0.465 nan 8.270 nan 0.000 0.439 182 L N 0.929 122.219 121.223 0.112 0.000 2.046 182 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 182 L C 1.938 178.889 176.870 0.135 0.000 1.077 182 L CA 2.487 57.407 54.840 0.133 0.000 0.747 182 L CB -1.019 41.098 42.059 0.095 0.000 0.896 182 L HN 0.351 nan 8.230 nan 0.000 0.432 183 T N -0.985 113.617 114.554 0.080 0.000 2.746 183 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 183 T C 1.725 176.477 174.700 0.086 0.000 1.039 183 T CA 1.451 63.591 62.100 0.067 0.000 1.142 183 T CB -0.193 68.687 68.868 0.020 0.000 0.866 183 T HN 0.341 nan 8.240 nan 0.000 0.444 184 E N 0.992 121.215 120.200 0.038 0.000 2.051 184 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 184 E C 2.355 179.068 176.600 0.188 0.000 0.991 184 E CA 1.586 57.962 56.400 -0.040 0.000 0.799 184 E CB -0.883 28.606 29.700 -0.351 0.000 0.748 184 E HN 0.449 nan 8.360 nan 0.000 0.449 185 G N -0.137 108.876 108.800 0.354 0.000 2.402 185 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 185 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 185 G C 1.489 176.606 174.900 0.361 0.000 1.162 185 G CA 0.704 46.098 45.100 0.490 0.000 0.777 185 G HN 0.270 nan 8.290 nan 0.000 0.539 186 Q N -0.199 119.750 119.800 0.250 0.000 2.172 186 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 186 Q C 2.784 178.882 176.000 0.162 0.000 0.964 186 Q CA 1.386 57.297 55.803 0.180 0.000 0.855 186 Q CB -0.177 28.649 28.738 0.147 0.000 0.918 186 Q HN 0.410 nan 8.270 nan 0.000 0.444 187 T N 0.181 114.842 114.554 0.179 0.000 2.821 187 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 187 T C 1.082 175.887 174.700 0.174 0.000 1.046 187 T CA 1.005 63.188 62.100 0.139 0.000 1.139 187 T CB -0.348 68.596 68.868 0.127 0.000 0.871 187 T HN 0.470 nan 8.240 nan 0.000 0.454 188 W N 1.599 122.997 121.300 0.163 0.000 2.355 188 W HA -0.062 4.597 4.660 -0.001 0.000 0.309 188 W C 1.806 178.442 176.519 0.196 0.000 1.206 188 W CA 0.954 58.475 57.345 0.293 0.000 1.284 188 W CB -0.440 29.261 29.460 0.402 0.000 1.145 188 W HN 0.135 nan 8.180 nan 0.000 0.502 189 L N 0.626 122.062 121.223 0.356 0.000 2.046 189 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 189 L C 2.615 179.419 176.870 -0.110 0.000 1.077 189 L CA 1.915 56.789 54.840 0.058 0.000 0.747 189 L CB -0.947 41.086 42.059 -0.043 0.000 0.896 189 L HN 0.002 nan 8.230 nan 0.000 0.432 190 K N 0.014 120.370 120.400 -0.073 0.000 2.026 190 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 190 K C 2.201 178.666 176.600 -0.225 0.000 1.048 190 K CA 1.714 57.932 56.287 -0.113 0.000 0.929 190 K CB -0.063 32.398 32.500 -0.066 0.000 0.713 190 K HN 0.246 nan 8.250 nan 0.000 0.439 191 Q N -0.787 118.807 119.800 -0.342 0.000 2.050 191 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 191 Q C 1.537 177.058 176.000 -0.798 0.000 0.980 191 Q CA 1.899 57.336 55.803 -0.612 0.000 0.840 191 Q CB 0.012 28.249 28.738 -0.835 0.000 0.898 191 Q HN 0.358 nan 8.270 nan 0.000 0.424 192 F N -1.546 118.042 119.950 -0.603 0.000 2.622 192 F HA 0.123 4.650 4.527 -0.001 0.000 0.288 192 F C 1.612 177.117 175.800 -0.491 0.000 1.120 192 F CA 0.017 57.602 58.000 -0.692 0.000 1.423 192 F CB 0.486 38.625 39.000 -1.435 0.000 1.127 192 F HN 0.092 nan 8.300 nan 0.000 0.588 193 M N -0.909 118.537 119.600 -0.257 0.000 2.306 193 M HA 0.235 4.715 4.480 -0.000 0.000 0.292 193 M C 0.230 176.505 176.300 -0.043 0.000 1.018 193 M CA 0.163 55.412 55.300 -0.085 0.000 1.007 193 M CB -1.026 31.554 32.600 -0.033 0.000 1.510 193 M HN 0.089 nan 8.290 nan 0.000 0.537 194 N N 1.638 120.282 118.700 -0.094 0.000 2.740 194 N HA -0.135 4.604 4.740 -0.000 0.000 0.248 194 N C -1.595 173.897 175.510 -0.030 0.000 1.062 194 N CA 0.311 53.322 53.050 -0.066 0.000 0.704 194 N CB -0.884 37.577 38.487 -0.044 0.000 0.968 194 N HN 0.214 nan 8.380 nan 0.000 0.547 195 V N -0.808 119.090 119.914 -0.027 0.000 3.049 195 V HA 0.661 4.781 4.120 -0.000 0.000 0.309 195 V C 0.169 176.250 176.094 -0.021 0.000 1.148 195 V CA -0.683 61.617 62.300 -0.001 0.000 0.990 195 V CB 2.364 34.231 31.823 0.073 0.000 1.039 195 V HN 0.144 nan 8.190 nan 0.000 0.430 196 T N 3.679 118.211 114.554 -0.036 0.000 2.930 196 T HA 0.475 4.825 4.350 -0.000 0.000 0.313 196 T C -2.761 171.860 174.700 -0.132 0.000 1.019 196 T CA -0.937 61.122 62.100 -0.067 0.000 1.004 196 T CB 1.684 70.503 68.868 -0.082 0.000 0.987 196 T HN 0.450 nan 8.240 nan 0.000 0.456 197 P HA 0.181 nan 4.420 nan 0.000 0.269 197 P C 0.862 177.783 177.300 -0.632 0.000 1.209 197 P CA -0.180 62.806 63.100 -0.190 0.000 0.776 197 P CB 0.560 32.260 31.700 -0.001 0.000 0.876 198 T N -1.876 112.358 114.554 -0.534 0.000 3.040 198 T HA 0.524 4.873 4.350 -0.000 0.000 0.266 198 T C 0.367 174.894 174.700 -0.289 0.000 1.005 198 T CA -0.247 61.435 62.100 -0.697 0.000 0.906 198 T CB 0.125 68.781 68.868 -0.354 0.000 1.082 198 T HN 0.404 nan 8.240 nan 0.000 0.531 199 A N 0.915 123.720 122.820 -0.025 0.000 2.331 199 A HA 0.795 5.114 4.320 -0.000 0.000 0.320 199 A C -0.145 177.701 177.584 0.437 0.000 1.138 199 A CA -0.692 51.471 52.037 0.211 0.000 0.790 199 A CB 1.760 20.900 19.000 0.232 0.000 1.206 199 A HN 0.267 nan 8.150 nan 0.000 0.470 200 S N 2.210 118.158 115.700 0.413 0.000 2.509 200 S HA 0.657 5.127 4.470 -0.000 0.000 0.297 200 S C -1.106 173.683 174.600 0.315 0.000 1.118 200 S CA -0.432 57.950 58.200 0.304 0.000 1.074 200 S CB 0.709 63.921 63.200 0.021 0.000 1.038 200 S HN 0.786 nan 8.310 nan 0.000 0.498 201 W N 4.750 126.068 121.300 0.030 0.000 2.499 201 W HA 0.629 5.289 4.660 -0.001 0.000 0.320 201 W C -1.398 175.070 176.519 -0.085 0.000 1.010 201 W CA -0.848 56.466 57.345 -0.052 0.000 1.267 201 W CB 1.162 30.563 29.460 -0.098 0.000 1.316 201 W HN 0.784 nan 8.180 nan 0.000 0.431 202 A N 7.847 130.514 122.820 -0.255 0.000 3.030 202 A HA 0.260 4.580 4.320 -0.000 0.000 0.335 202 A C 0.382 177.716 177.584 -0.417 0.000 1.089 202 A CA -0.463 51.429 52.037 -0.242 0.000 0.807 202 A CB -0.424 18.557 19.000 -0.033 0.000 1.099 202 A HN 0.704 nan 8.150 nan 0.000 0.474 203 I N -2.789 117.331 120.570 -0.749 0.000 3.226 203 I HA 0.215 4.385 4.170 -0.000 0.000 0.277 203 I C 0.880 176.649 176.117 -0.579 0.000 1.243 203 I CA 1.104 61.918 61.300 -0.810 0.000 1.459 203 I CB 0.325 37.572 38.000 -1.255 0.000 1.093 203 I HN 0.323 nan 8.210 nan 0.000 0.453 204 D N 0.218 120.243 120.400 -0.625 0.000 2.489 204 D HA 0.244 4.884 4.640 -0.000 0.000 0.231 204 D C -2.193 173.676 176.300 -0.719 0.000 1.114 204 D CA -0.773 52.870 54.000 -0.595 0.000 0.842 204 D CB 0.090 40.463 40.800 -0.711 0.000 1.133 204 D HN 0.173 nan 8.370 nan 0.000 0.506 205 P HA 0.032 nan 4.420 nan 0.000 0.267 205 P C -0.497 176.357 177.300 -0.743 0.000 1.200 205 P CA 0.092 62.679 63.100 -0.855 0.000 0.772 205 P CB 0.170 31.525 31.700 -0.576 0.000 0.855 206 F N 2.341 122.064 119.950 -0.377 0.000 2.573 206 F HA 0.525 5.052 4.527 -0.001 0.000 0.349 206 F C 1.451 177.193 175.800 -0.097 0.000 1.213 206 F CA -0.550 57.193 58.000 -0.428 0.000 1.300 206 F CB -1.142 37.734 39.000 -0.208 0.000 1.661 206 F HN 0.502 nan 8.300 nan 0.000 0.616 207 G N 1.150 109.709 108.800 -0.401 0.000 2.619 207 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 207 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 207 G C -1.479 173.061 174.900 -0.600 0.000 1.256 207 G CA -1.166 43.779 45.100 -0.258 0.000 0.826 207 G HN 0.578 nan 8.290 nan 0.000 0.619 208 H N -0.569 118.188 119.070 -0.521 0.000 2.717 208 H HA 0.747 5.303 4.556 -0.000 0.000 0.366 208 H C -0.374 174.832 175.328 -0.204 0.000 1.132 208 H CA 0.022 55.957 56.048 -0.189 0.000 1.180 208 H CB 2.064 31.877 29.762 0.086 0.000 1.678 208 H HN 0.671 nan 8.280 nan 0.000 0.537 209 S N 2.294 118.139 115.700 0.242 0.000 2.501 209 S HA 0.254 4.724 4.470 -0.000 0.000 0.301 209 S C -1.767 172.864 174.600 0.051 0.000 1.096 209 S CA -1.808 56.545 58.200 0.255 0.000 1.063 209 S CB 1.315 64.704 63.200 0.316 0.000 1.042 209 S HN 0.456 nan 8.310 nan 0.000 0.494 210 P HA 0.010 nan 4.420 nan 0.000 0.234 210 P C 1.089 178.142 177.300 -0.411 0.000 1.167 210 P CA 0.748 63.471 63.100 -0.627 0.000 0.763 210 P CB -0.256 31.228 31.700 -0.359 0.000 0.835 211 T N -0.359 114.084 114.554 -0.186 0.000 2.803 211 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 211 T C 1.741 176.396 174.700 -0.076 0.000 1.052 211 T CA 1.366 63.397 62.100 -0.115 0.000 1.136 211 T CB -0.477 68.362 68.868 -0.049 0.000 0.864 211 T HN 0.028 nan 8.240 nan 0.000 0.467 212 M N 1.800 121.316 119.600 -0.141 0.000 2.064 212 M HA 0.020 4.499 4.480 -0.000 0.000 0.260 212 M C -1.068 175.098 176.300 -0.223 0.000 1.073 212 M CA 1.292 56.508 55.300 -0.141 0.000 1.124 212 M CB -1.091 31.453 32.600 -0.094 0.000 1.326 212 M HN 0.027 nan 8.290 nan 0.000 0.410 213 P HA -0.205 nan 4.420 nan 0.000 0.218 213 P C 1.439 178.618 177.300 -0.202 0.000 1.148 213 P CA 1.447 64.356 63.100 -0.318 0.000 0.822 213 P CB -0.527 30.886 31.700 -0.478 0.000 0.784 214 Y N 1.091 121.209 120.300 -0.303 0.000 2.097 214 Y HA -0.210 4.339 4.550 -0.001 0.000 0.282 214 Y C 2.416 178.235 175.900 -0.135 0.000 1.152 214 Y CA 1.715 59.699 58.100 -0.194 0.000 1.136 214 Y CB -0.973 37.388 38.460 -0.165 0.000 0.975 214 Y HN -0.233 nan 8.280 nan 0.000 0.498 215 I N -0.470 120.123 120.570 0.038 0.000 2.202 215 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 215 I C 2.289 178.342 176.117 -0.107 0.000 1.091 215 I CA 1.191 62.482 61.300 -0.015 0.000 1.368 215 I CB -0.434 37.618 38.000 0.086 0.000 1.058 215 I HN 0.258 nan 8.210 nan 0.000 0.410 216 L N 0.104 121.215 121.223 -0.186 0.000 2.017 216 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 216 L C 2.701 179.552 176.870 -0.032 0.000 1.073 216 L CA 1.253 55.918 54.840 -0.292 0.000 0.745 216 L CB -0.724 40.972 42.059 -0.604 0.000 0.894 216 L HN 0.346 nan 8.230 nan 0.000 0.432 217 Q N 1.107 120.859 119.800 -0.079 0.000 2.226 217 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 217 Q C 1.668 177.629 176.000 -0.064 0.000 0.975 217 Q CA 1.475 57.251 55.803 -0.045 0.000 0.866 217 Q CB 0.110 28.793 28.738 -0.093 0.000 0.915 217 Q HN 0.470 nan 8.270 nan 0.000 0.440 218 K N -0.477 119.846 120.400 -0.128 0.000 2.458 218 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 218 K C 0.665 177.232 176.600 -0.055 0.000 1.024 218 K CA 0.141 56.348 56.287 -0.133 0.000 1.108 218 K CB 0.505 32.856 32.500 -0.248 0.000 0.846 218 K HN -0.069 nan 8.250 nan 0.000 0.518 219 S N -0.330 115.391 115.700 0.035 0.000 2.754 219 S HA 0.208 4.678 4.470 -0.000 0.000 0.247 219 S C 0.771 175.469 174.600 0.163 0.000 1.031 219 S CA 0.091 58.358 58.200 0.111 0.000 1.014 219 S CB 1.338 64.645 63.200 0.178 0.000 0.918 219 S HN 0.520 nan 8.310 nan 0.000 0.519 220 G N 1.225 110.075 108.800 0.084 0.000 2.175 220 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 220 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 220 G C -0.021 174.856 174.900 -0.039 0.000 0.982 220 G CA -0.442 44.653 45.100 -0.010 0.000 0.641 220 G HN 0.431 nan 8.290 nan 0.000 0.527 221 F N 0.373 120.284 119.950 -0.064 0.000 2.450 221 F HA 0.589 5.116 4.527 -0.001 0.000 0.339 221 F C 1.574 177.317 175.800 -0.095 0.000 1.146 221 F CA 0.054 58.011 58.000 -0.071 0.000 1.267 221 F CB 0.913 39.874 39.000 -0.064 0.000 1.178 221 F HN -0.203 nan 8.300 nan 0.000 0.585 222 K N 0.882 121.299 120.400 0.028 0.000 2.464 222 K HA 0.242 4.562 4.320 -0.000 0.000 0.206 222 K C -0.631 175.909 176.600 -0.100 0.000 1.186 222 K CA 0.101 56.347 56.287 -0.067 0.000 0.990 222 K CB 0.258 32.669 32.500 -0.148 0.000 1.003 222 K HN 0.647 nan 8.250 nan 0.000 0.562 223 N N 0.212 118.833 118.700 -0.131 0.000 2.484 223 N HA 0.423 5.162 4.740 -0.000 0.000 0.269 223 N C -1.110 174.251 175.510 -0.249 0.000 1.237 223 N CA -0.622 52.187 53.050 -0.402 0.000 0.838 223 N CB 2.191 39.889 38.487 -1.316 0.000 1.593 223 N HN -0.116 nan 8.380 nan 0.000 0.485 224 M N -0.165 119.310 119.600 -0.208 0.000 2.569 224 M HA 0.634 5.113 4.480 -0.000 0.000 0.279 224 M C -2.041 174.332 176.300 0.121 0.000 1.253 224 M CA -0.953 54.347 55.300 0.000 0.000 0.867 224 M CB 2.476 35.063 32.600 -0.021 0.000 1.727 224 M HN 0.495 nan 8.290 nan 0.000 0.467 225 L N 3.557 124.865 121.223 0.142 0.000 2.386 225 L HA 0.876 5.216 4.340 -0.000 0.000 0.271 225 L C -1.453 175.298 176.870 -0.198 0.000 0.993 225 L CA -0.764 54.111 54.840 0.060 0.000 0.819 225 L CB 2.014 44.153 42.059 0.133 0.000 1.294 225 L HN 0.952 nan 8.230 nan 0.000 0.414 226 I N 0.925 121.289 120.570 -0.343 0.000 3.042 226 I HA 0.615 4.784 4.170 -0.000 0.000 0.310 226 I C -0.750 175.078 176.117 -0.481 0.000 1.117 226 I CA -0.547 60.367 61.300 -0.643 0.000 1.003 226 I CB 2.263 39.607 38.000 -1.093 0.000 1.228 226 I HN 0.731 nan 8.210 nan 0.000 0.443 227 Q N 2.054 121.637 119.800 -0.361 0.000 2.546 227 Q HA 0.340 4.680 4.340 -0.000 0.000 0.226 227 Q C -0.014 175.888 176.000 -0.163 0.000 0.769 227 Q CA 0.416 56.079 55.803 -0.233 0.000 0.954 227 Q CB 0.619 29.213 28.738 -0.240 0.000 1.319 227 Q HN 0.662 nan 8.270 nan 0.000 0.534 228 R N 2.024 122.439 120.500 -0.141 0.000 2.608 228 R HA 0.346 4.685 4.340 -0.000 0.000 0.277 228 R C -0.689 175.367 176.300 -0.407 0.000 1.341 228 R CA 0.559 56.320 56.100 -0.564 0.000 1.199 228 R CB 0.260 29.872 30.300 -1.148 0.000 1.156 228 R HN 0.394 nan 8.270 nan 0.000 0.558 229 T N -2.361 112.175 114.554 -0.029 0.000 2.924 229 T HA 0.136 4.486 4.350 -0.000 0.000 0.291 229 T C -0.009 174.954 174.700 0.438 0.000 1.045 229 T CA -0.890 61.323 62.100 0.190 0.000 1.015 229 T CB 1.749 70.568 68.868 -0.083 0.000 1.103 229 T HN 0.426 nan 8.240 nan 0.000 0.496 230 H N 2.030 121.315 119.070 0.359 0.000 3.094 230 H HA -0.041 4.515 4.556 -0.000 0.000 0.320 230 H C 1.100 176.486 175.328 0.095 0.000 1.000 230 H CA 0.529 56.682 56.048 0.175 0.000 1.413 230 H CB 0.327 30.212 29.762 0.206 0.000 1.405 230 H HN 0.929 nan 8.280 nan 0.000 0.586 231 Y N 2.417 122.824 120.300 0.178 0.000 2.241 231 Y HA -0.206 4.344 4.550 -0.001 0.000 0.286 231 Y C 2.206 178.283 175.900 0.294 0.000 1.166 231 Y CA 1.076 59.309 58.100 0.222 0.000 1.203 231 Y CB -0.726 37.800 38.460 0.110 0.000 0.977 231 Y HN 0.305 nan 8.280 nan 0.000 0.529 232 S N 0.361 116.118 115.700 0.095 0.000 2.402 232 S HA -0.121 4.348 4.470 -0.000 0.000 0.229 232 S C 2.096 176.621 174.600 -0.126 0.000 1.021 232 S CA 1.158 59.293 58.200 -0.108 0.000 0.974 232 S CB -0.575 62.337 63.200 -0.481 0.000 0.800 232 S HN 0.372 nan 8.310 nan 0.000 0.484 233 V N 2.052 121.947 119.914 -0.031 0.000 2.295 233 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 233 V C 2.248 178.379 176.094 0.061 0.000 1.049 233 V CA 1.638 63.953 62.300 0.025 0.000 1.024 233 V CB -0.545 31.393 31.823 0.192 0.000 0.648 233 V HN 0.418 nan 8.190 nan 0.000 0.447 234 K N 0.136 120.615 120.400 0.131 0.000 2.032 234 K HA -0.255 4.065 4.320 -0.000 0.000 0.209 234 K C 2.281 179.010 176.600 0.216 0.000 1.048 234 K CA 1.870 58.251 56.287 0.157 0.000 0.927 234 K CB -0.256 32.392 32.500 0.247 0.000 0.712 234 K HN 0.359 nan 8.250 nan 0.000 0.441 235 K N 1.187 121.713 120.400 0.210 0.000 2.026 235 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 235 K C 2.149 178.843 176.600 0.157 0.000 1.048 235 K CA 1.762 58.181 56.287 0.220 0.000 0.929 235 K CB 0.046 32.603 32.500 0.095 0.000 0.713 235 K HN -0.002 nan 8.250 nan 0.000 0.439 236 E N 0.820 121.034 120.200 0.023 0.000 2.051 236 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 236 E C 1.949 178.544 176.600 -0.009 0.000 0.991 236 E CA 1.354 57.727 56.400 -0.044 0.000 0.799 236 E CB -0.159 29.466 29.700 -0.126 0.000 0.748 236 E HN 0.338 nan 8.360 nan 0.000 0.449 237 L N -0.122 121.105 121.223 0.007 0.000 2.093 237 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 237 L C 2.550 179.439 176.870 0.033 0.000 1.085 237 L CA 0.964 55.801 54.840 -0.004 0.000 0.755 237 L CB -0.623 41.417 42.059 -0.031 0.000 0.904 237 L HN 0.224 nan 8.230 nan 0.000 0.435 238 A N -0.252 122.638 122.820 0.117 0.000 1.908 238 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 238 A C 2.217 179.982 177.584 0.301 0.000 1.181 238 A CA 1.613 53.772 52.037 0.204 0.000 0.627 238 A CB -0.501 18.775 19.000 0.459 0.000 0.818 238 A HN 0.472 nan 8.150 nan 0.000 0.445 239 Q N -1.013 118.927 119.800 0.233 0.000 2.170 239 Q HA -0.156 4.184 4.340 -0.000 0.000 0.203 239 Q C 1.408 177.403 176.000 -0.009 0.000 0.976 239 Q CA 1.302 57.092 55.803 -0.021 0.000 0.858 239 Q CB -0.036 28.556 28.738 -0.244 0.000 0.907 239 Q HN 0.616 nan 8.270 nan 0.000 0.433 240 Q N -0.211 119.593 119.800 0.007 0.000 2.282 240 Q HA 0.136 4.476 4.340 -0.000 0.000 0.206 240 Q C -0.402 175.613 176.000 0.025 0.000 0.878 240 Q CA -0.007 55.796 55.803 -0.001 0.000 0.944 240 Q CB 0.662 29.389 28.738 -0.018 0.000 1.100 240 Q HN 0.280 nan 8.270 nan 0.000 0.509 241 R N 0.802 121.323 120.500 0.034 0.000 3.333 241 R HA -0.210 4.130 4.340 -0.000 0.000 0.256 241 R C -0.098 176.231 176.300 0.048 0.000 1.010 241 R CA 0.460 56.572 56.100 0.019 0.000 0.680 241 R CB -1.940 28.397 30.300 0.060 0.000 1.102 241 R HN 0.379 nan 8.270 nan 0.000 0.440 242 Q N 0.039 119.857 119.800 0.030 0.000 2.165 242 Q HA 0.198 4.538 4.340 -0.000 0.000 0.245 242 Q C 1.176 177.250 176.000 0.124 0.000 0.841 242 Q CA -0.227 55.627 55.803 0.085 0.000 1.078 242 Q CB 0.554 29.306 28.738 0.024 0.000 1.169 242 Q HN 0.440 nan 8.270 nan 0.000 0.475 243 L N 0.099 121.328 121.223 0.010 0.000 2.418 243 L HA 0.051 4.390 4.340 -0.000 0.000 0.218 243 L C 0.288 177.138 176.870 -0.033 0.000 1.125 243 L CA 0.905 55.723 54.840 -0.036 0.000 0.835 243 L CB 0.325 42.173 42.059 -0.351 0.000 0.953 243 L HN 0.173 nan 8.230 nan 0.000 0.454 244 E N 0.292 120.516 120.200 0.040 0.000 2.158 244 E HA 0.504 4.854 4.350 -0.000 0.000 0.271 244 E C -1.187 175.322 176.600 -0.151 0.000 0.911 244 E CA -0.530 55.702 56.400 -0.281 0.000 0.767 244 E CB 1.444 31.102 29.700 -0.071 0.000 1.120 244 E HN 0.007 nan 8.360 nan 0.000 0.405 245 F N -0.235 119.463 119.950 -0.419 0.000 2.686 245 F HA 0.480 5.007 4.527 -0.001 0.000 0.311 245 F C -1.513 174.175 175.800 -0.187 0.000 1.128 245 F CA -1.426 56.470 58.000 -0.174 0.000 0.946 245 F CB 0.768 39.695 39.000 -0.121 0.000 1.336 245 F HN 0.154 nan 8.300 nan 0.000 0.457 246 L N 2.690 124.069 121.223 0.260 0.000 2.282 246 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 246 L C -1.065 176.034 176.870 0.381 0.000 1.075 246 L CA -0.207 54.785 54.840 0.254 0.000 0.839 246 L CB 0.422 42.631 42.059 0.251 0.000 1.219 246 L HN 0.582 nan 8.230 nan 0.000 0.434 247 W N 6.793 128.200 121.300 0.180 0.000 2.387 247 W HA 0.326 4.986 4.660 -0.000 0.000 0.310 247 W C 0.264 176.812 176.519 0.048 0.000 1.181 247 W CA -1.270 56.199 57.345 0.205 0.000 1.333 247 W CB 0.450 30.074 29.460 0.273 0.000 1.286 247 W HN 0.509 nan 8.180 nan 0.000 0.455 248 R N 3.830 124.504 120.500 0.290 0.000 2.758 248 R HA 0.529 4.869 4.340 -0.000 0.000 0.265 248 R C -0.073 176.142 176.300 -0.142 0.000 1.016 248 R CA -0.879 55.224 56.100 0.004 0.000 1.040 248 R CB 1.129 31.415 30.300 -0.023 0.000 1.152 248 R HN 0.241 nan 8.270 nan 0.000 0.503 249 Q N 1.452 121.017 119.800 -0.390 0.000 2.421 249 Q HA 0.053 4.393 4.340 -0.000 0.000 0.255 249 Q C 1.459 177.076 176.000 -0.638 0.000 1.013 249 Q CA 0.112 55.489 55.803 -0.709 0.000 0.895 249 Q CB 0.762 28.619 28.738 -1.469 0.000 1.271 249 Q HN 0.852 nan 8.270 nan 0.000 0.460 250 I N -2.158 118.134 120.570 -0.464 0.000 2.567 250 I HA -0.143 4.027 4.170 -0.000 0.000 0.257 250 I C 1.290 177.342 176.117 -0.108 0.000 1.184 250 I CA 1.232 62.421 61.300 -0.185 0.000 1.451 250 I CB -0.349 37.641 38.000 -0.017 0.000 1.089 250 I HN 0.672 nan 8.210 nan 0.000 0.441 251 W N 1.262 122.625 121.300 0.105 0.000 3.278 251 W HA 0.371 5.031 4.660 -0.000 0.000 0.308 251 W C 0.199 176.798 176.519 0.134 0.000 1.253 251 W CA -0.698 56.773 57.345 0.210 0.000 1.759 251 W CB -0.656 29.019 29.460 0.357 0.000 1.093 251 W HN -0.069 nan 8.180 nan 0.000 0.648 252 D N 1.578 121.745 120.400 -0.388 0.000 2.393 252 D HA 0.054 4.693 4.640 -0.000 0.000 0.232 252 D C 0.510 176.787 176.300 -0.039 0.000 1.192 252 D CA 0.137 54.024 54.000 -0.188 0.000 0.882 252 D CB 0.272 40.867 40.800 -0.341 0.000 1.038 252 D HN 0.105 nan 8.370 nan 0.000 0.499 253 N N 2.594 121.329 118.700 0.058 0.000 2.270 253 N HA -0.086 4.654 4.740 -0.000 0.000 0.181 253 N C 1.445 176.974 175.510 0.032 0.000 1.016 253 N CA 0.681 53.757 53.050 0.044 0.000 0.870 253 N CB 0.246 38.777 38.487 0.074 0.000 0.979 253 N HN 0.336 nan 8.380 nan 0.000 0.431 254 K N -0.407 120.018 120.400 0.040 0.000 2.186 254 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 254 K C 0.728 177.343 176.600 0.024 0.000 1.052 254 K CA 0.996 57.304 56.287 0.035 0.000 0.965 254 K CB 0.244 32.770 32.500 0.043 0.000 0.746 254 K HN 0.176 nan 8.250 nan 0.000 0.457 255 G N 0.892 109.699 108.800 0.012 0.000 2.144 255 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 255 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 255 G C 0.151 175.055 174.900 0.008 0.000 0.988 255 G CA 0.359 45.464 45.100 0.008 0.000 0.659 255 G HN 0.396 nan 8.290 nan 0.000 0.522 256 D N 0.604 121.009 120.400 0.009 0.000 2.310 256 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 256 D C 2.569 178.859 176.300 -0.017 0.000 0.965 256 D CA 1.702 55.704 54.000 0.004 0.000 0.879 256 D CB -0.253 40.555 40.800 0.014 0.000 0.921 256 D HN 0.676 nan 8.370 nan 0.000 0.510 257 T N -1.929 112.606 114.554 -0.032 0.000 3.113 257 T HA 0.285 4.635 4.350 -0.000 0.000 0.256 257 T C 0.983 175.648 174.700 -0.058 0.000 1.131 257 T CA -0.059 62.002 62.100 -0.065 0.000 1.074 257 T CB -0.012 68.801 68.868 -0.091 0.000 0.944 257 T HN 0.063 nan 8.240 nan 0.000 0.516 258 A N 1.341 124.152 122.820 -0.015 0.000 2.498 258 A HA 0.563 4.883 4.320 -0.000 0.000 0.239 258 A C -0.285 177.323 177.584 0.039 0.000 1.068 258 A CA -0.370 51.688 52.037 0.036 0.000 0.766 258 A CB -0.065 18.982 19.000 0.078 0.000 1.003 258 A HN 0.542 nan 8.150 nan 0.000 0.497 259 L N 2.549 123.816 121.223 0.073 0.000 2.409 259 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 259 L C -0.657 176.280 176.870 0.111 0.000 0.980 259 L CA -0.539 54.341 54.840 0.066 0.000 0.826 259 L CB 1.419 43.480 42.059 0.003 0.000 1.268 259 L HN 0.662 nan 8.230 nan 0.000 0.407 260 F N 3.892 123.809 119.950 -0.054 0.000 2.578 260 F HA 0.359 4.886 4.527 -0.001 0.000 0.381 260 F C 0.042 175.733 175.800 -0.182 0.000 1.069 260 F CA 0.812 58.746 58.000 -0.110 0.000 1.231 260 F CB 0.419 39.373 39.000 -0.077 0.000 1.086 260 F HN 0.558 nan 8.300 nan 0.000 0.564 261 T N 5.438 119.469 114.554 -0.872 0.000 2.848 261 T HA 0.191 4.540 4.350 -0.000 0.000 0.285 261 T C -1.540 172.543 174.700 -1.027 0.000 0.995 261 T CA -0.464 61.172 62.100 -0.773 0.000 0.970 261 T CB 0.831 69.238 68.868 -0.770 0.000 0.976 261 T HN 0.606 nan 8.240 nan 0.000 0.441 262 H N 2.963 121.732 119.070 -0.502 0.000 2.504 262 H HA 0.612 5.167 4.556 -0.000 0.000 0.322 262 H C -0.353 174.786 175.328 -0.315 0.000 1.055 262 H CA -0.737 55.129 56.048 -0.302 0.000 1.231 262 H CB 0.719 30.513 29.762 0.053 0.000 1.417 262 H HN 0.474 nan 8.280 nan 0.000 0.472 263 M N 7.023 126.298 119.600 -0.542 0.000 2.113 263 M HA 0.284 4.764 4.480 -0.000 0.000 0.352 263 M C -0.907 175.142 176.300 -0.418 0.000 1.170 263 M CA -0.587 54.467 55.300 -0.411 0.000 1.053 263 M CB 0.634 33.046 32.600 -0.313 0.000 1.601 263 M HN 0.673 nan 8.290 nan 0.000 0.459 264 M N 6.806 126.259 119.600 -0.245 0.000 2.245 264 M HA 0.193 4.673 4.480 -0.000 0.000 0.330 264 M C -1.628 174.541 176.300 -0.219 0.000 1.098 264 M CA -1.149 54.052 55.300 -0.164 0.000 1.172 264 M CB 0.312 32.839 32.600 -0.122 0.000 1.467 264 M HN 0.477 nan 8.290 nan 0.000 0.454 265 P HA 0.146 nan 4.420 nan 0.000 0.259 265 P C -0.321 176.794 177.300 -0.308 0.000 1.233 265 P CA 0.796 63.602 63.100 -0.489 0.000 0.827 265 P CB 0.383 31.500 31.700 -0.971 0.000 1.154 266 F N -2.158 117.805 119.950 0.021 0.000 2.611 266 F HA 0.310 4.837 4.527 -0.001 0.000 0.374 266 F C 2.100 177.988 175.800 0.147 0.000 1.110 266 F CA -1.277 56.771 58.000 0.081 0.000 1.090 266 F CB 0.297 39.280 39.000 -0.029 0.000 1.388 266 F HN -0.323 nan 8.300 nan 0.000 0.501 267 Y N 0.329 120.776 120.300 0.246 0.000 2.373 267 Y HA 0.103 4.652 4.550 -0.001 0.000 0.293 267 Y C 0.763 176.584 175.900 -0.132 0.000 1.129 267 Y CA 1.054 59.159 58.100 0.008 0.000 1.226 267 Y CB 0.093 38.463 38.460 -0.150 0.000 1.000 267 Y HN 0.327 nan 8.280 nan 0.000 0.549 268 S N -1.706 113.853 115.700 -0.234 0.000 2.651 268 S HA 0.244 4.714 4.470 -0.000 0.000 0.279 268 S C -0.275 174.261 174.600 -0.108 0.000 1.148 268 S CA -0.412 57.560 58.200 -0.380 0.000 0.837 268 S CB 0.336 63.267 63.200 -0.448 0.000 1.138 268 S HN 0.302 nan 8.310 nan 0.000 0.478 269 Y N 0.804 121.064 120.300 -0.067 0.000 2.490 269 Y HA 0.283 4.833 4.550 -0.001 0.000 0.281 269 Y C 0.509 176.491 175.900 0.138 0.000 1.174 269 Y CA -0.442 57.645 58.100 -0.021 0.000 1.295 269 Y CB -0.956 37.402 38.460 -0.170 0.000 1.062 269 Y HN 0.542 nan 8.280 nan 0.000 0.522 270 D N 0.781 121.208 120.400 0.044 0.000 2.371 270 D HA -0.032 4.608 4.640 -0.000 0.000 0.242 270 D C 1.223 177.652 176.300 0.215 0.000 1.218 270 D CA -0.374 53.724 54.000 0.164 0.000 0.945 270 D CB 0.844 41.702 40.800 0.096 0.000 1.137 270 D HN 0.267 nan 8.370 nan 0.000 0.464 271 I N -0.113 120.560 120.570 0.172 0.000 2.226 271 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 271 I C -0.738 175.418 176.117 0.066 0.000 1.100 271 I CA 0.816 62.201 61.300 0.143 0.000 1.374 271 I CB -1.212 36.860 38.000 0.120 0.000 1.057 271 I HN 0.343 nan 8.210 nan 0.000 0.413 272 P HA -0.164 nan 4.420 nan 0.000 0.219 272 P C 0.916 177.913 177.300 -0.505 0.000 1.146 272 P CA 1.539 64.456 63.100 -0.305 0.000 0.808 272 P CB -0.093 31.415 31.700 -0.319 0.000 0.779 273 H N -2.433 116.636 119.070 -0.000 0.000 2.486 273 H HA 0.270 4.826 4.556 -0.001 0.000 0.284 273 H C 0.790 176.215 175.328 0.163 0.000 1.103 273 H CA 0.802 56.866 56.048 0.026 0.000 1.089 273 H CB 0.110 29.954 29.762 0.137 0.000 1.603 273 H HN 0.224 nan 8.280 nan 0.000 0.557 274 T N -3.358 111.311 114.554 0.192 0.000 2.986 274 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 274 T C 1.906 176.726 174.700 0.199 0.000 0.964 274 T CA 0.271 62.509 62.100 0.230 0.000 0.895 274 T CB -0.838 68.157 68.868 0.213 0.000 1.163 274 T HN 0.424 nan 8.240 nan 0.000 0.517 275 c N 1.601 120.291 118.600 0.150 0.000 2.495 275 c HA 0.702 5.272 4.570 -0.000 0.000 0.275 275 c C 1.340 175.549 174.090 0.198 0.000 1.392 275 c CA 0.377 56.832 56.329 0.210 0.000 1.766 275 c CB -1.182 41.405 42.510 0.128 0.000 1.933 275 c HN 0.893 nan 8.230 nan 0.000 0.519 276 G N -0.321 108.525 108.800 0.076 0.000 2.324 276 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 276 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 276 G C -2.747 171.763 174.900 -0.649 0.000 1.297 276 G CA 0.212 45.282 45.100 -0.050 0.000 0.853 276 G HN -0.100 nan 8.290 nan 0.000 0.535 277 P HA 0.108 nan 4.420 nan 0.000 0.231 277 P C -0.118 176.759 177.300 -0.705 0.000 1.168 277 P CA 0.982 63.371 63.100 -1.186 0.000 0.779 277 P CB 0.391 31.714 31.700 -0.627 0.000 0.844 278 D N 0.998 121.103 120.400 -0.491 0.000 2.454 278 D HA 0.139 4.779 4.640 -0.000 0.000 0.225 278 D C -1.483 174.478 176.300 -0.565 0.000 1.081 278 D CA -2.591 51.162 54.000 -0.411 0.000 0.864 278 D CB 1.336 41.977 40.800 -0.264 0.000 1.040 278 D HN -0.005 nan 8.370 nan 0.000 0.517 279 P HA -0.145 nan 4.420 nan 0.000 0.220 279 P C 1.226 177.721 177.300 -1.342 0.000 1.148 279 P CA 0.707 63.057 63.100 -1.250 0.000 0.803 279 P CB 0.470 31.134 31.700 -1.726 0.000 0.782 280 K N 0.319 120.067 120.400 -1.086 0.000 2.148 280 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 280 K C 1.759 178.176 176.600 -0.305 0.000 1.050 280 K CA 1.029 56.973 56.287 -0.572 0.000 0.942 280 K CB -0.210 32.147 32.500 -0.238 0.000 0.724 280 K HN -0.060 nan 8.250 nan 0.000 0.446 281 V N 0.506 120.245 119.914 -0.291 0.000 2.331 281 V HA -0.233 3.886 4.120 -0.000 0.000 0.242 281 V C 2.425 178.491 176.094 -0.047 0.000 1.034 281 V CA 1.384 63.610 62.300 -0.123 0.000 1.027 281 V CB -0.336 31.424 31.823 -0.105 0.000 0.667 281 V HN 0.472 nan 8.190 nan 0.000 0.457 282 c N -0.670 117.823 118.600 -0.178 0.000 2.422 282 c HA -0.202 4.368 4.570 -0.000 0.000 0.279 282 c C 2.985 177.042 174.090 -0.054 0.000 1.305 282 c CA 0.809 57.091 56.329 -0.077 0.000 1.757 282 c CB -1.514 40.874 42.510 -0.203 0.000 1.962 282 c HN 0.764 nan 8.230 nan 0.000 0.499 283 c N 0.845 119.326 118.600 -0.198 0.000 2.419 283 c HA -0.141 4.428 4.570 -0.000 0.000 0.281 283 c C 2.617 176.605 174.090 -0.169 0.000 1.336 283 c CA 1.203 57.466 56.329 -0.111 0.000 1.770 283 c CB -1.464 41.053 42.510 0.011 0.000 1.929 283 c HN 0.640 nan 8.230 nan 0.000 0.509 284 Q N -1.295 118.354 119.800 -0.251 0.000 2.500 284 Q HA -0.032 4.308 4.340 -0.000 0.000 0.213 284 Q C 0.708 176.078 176.000 -1.051 0.000 0.974 284 Q CA 1.058 56.533 55.803 -0.547 0.000 0.918 284 Q CB -0.039 28.358 28.738 -0.569 0.000 0.980 284 Q HN 0.757 nan 8.270 nan 0.000 0.505 285 F N -0.409 119.247 119.950 -0.491 0.000 2.668 285 F HA 0.163 4.690 4.527 -0.000 0.000 0.301 285 F C 0.251 175.771 175.800 -0.466 0.000 1.106 285 F CA -0.578 57.038 58.000 -0.640 0.000 1.289 285 F CB 0.786 39.653 39.000 -0.221 0.000 1.006 285 F HN -0.143 nan 8.300 nan 0.000 0.535 286 D N 0.159 120.351 120.400 -0.347 0.000 2.485 286 D HA 0.132 4.771 4.640 -0.000 0.000 0.221 286 D C 0.508 176.644 176.300 -0.274 0.000 1.112 286 D CA -0.311 53.594 54.000 -0.157 0.000 0.911 286 D CB 0.010 40.771 40.800 -0.065 0.000 1.019 286 D HN 0.120 nan 8.370 nan 0.000 0.516 287 F N 1.606 121.564 119.950 0.012 0.000 2.771 287 F HA 0.085 4.611 4.527 -0.001 0.000 0.299 287 F C 2.340 178.093 175.800 -0.078 0.000 1.177 287 F CA 0.261 58.243 58.000 -0.030 0.000 1.450 287 F CB 0.164 39.168 39.000 0.007 0.000 1.114 287 F HN 0.245 nan 8.300 nan 0.000 0.587 288 K N 0.702 121.043 120.400 -0.098 0.000 2.486 288 K HA 0.029 4.349 4.320 -0.000 0.000 0.194 288 K C 1.148 177.710 176.600 -0.063 0.000 1.033 288 K CA 0.321 56.418 56.287 -0.316 0.000 1.004 288 K CB 0.118 32.297 32.500 -0.535 0.000 0.798 288 K HN 0.209 nan 8.250 nan 0.000 0.495 289 R N 0.107 120.596 120.500 -0.019 0.000 2.568 289 R HA 0.183 4.523 4.340 -0.000 0.000 0.288 289 R C 0.889 177.217 176.300 0.047 0.000 1.077 289 R CA -0.144 55.967 56.100 0.018 0.000 1.102 289 R CB 0.209 30.498 30.300 -0.019 0.000 1.278 289 R HN 0.192 nan 8.270 nan 0.000 0.560 290 M N -1.256 118.407 119.600 0.105 0.000 2.502 290 M HA 0.189 4.669 4.480 -0.000 0.000 0.243 290 M C 1.186 177.527 176.300 0.067 0.000 1.130 290 M CA 0.722 56.067 55.300 0.075 0.000 1.055 290 M CB 0.926 33.576 32.600 0.083 0.000 1.457 290 M HN 0.439 nan 8.290 nan 0.000 0.488 291 G N -0.520 108.337 108.800 0.095 0.000 3.465 291 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.196 291 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.196 291 G C 0.925 175.842 174.900 0.029 0.000 1.170 291 G CA 0.239 45.370 45.100 0.051 0.000 0.887 291 G HN 0.268 nan 8.290 nan 0.000 0.444 292 S N -0.214 115.474 115.700 -0.021 0.000 2.474 292 S HA 0.210 4.680 4.470 -0.000 0.000 0.235 292 S C 1.613 176.061 174.600 -0.253 0.000 0.997 292 S CA 1.378 59.477 58.200 -0.169 0.000 0.949 292 S CB -0.380 62.643 63.200 -0.295 0.000 0.766 292 S HN 0.376 nan 8.310 nan 0.000 0.517 293 F N 0.910 120.857 119.950 -0.005 0.000 2.765 293 F HA 0.342 4.869 4.527 -0.000 0.000 0.302 293 F C 1.795 177.592 175.800 -0.005 0.000 1.111 293 F CA 0.245 58.241 58.000 -0.007 0.000 1.359 293 F CB 0.142 39.135 39.000 -0.011 0.000 1.097 293 F HN 0.291 nan 8.300 nan 0.000 0.577 294 G N 1.090 109.963 108.800 0.122 0.000 2.143 294 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 294 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 294 G C -0.121 174.828 174.900 0.081 0.000 0.991 294 G CA 0.067 45.214 45.100 0.079 0.000 0.689 294 G HN 0.304 nan 8.290 nan 0.000 0.522 295 L N -0.012 121.270 121.223 0.097 0.000 2.333 295 L HA 0.880 5.220 4.340 -0.000 0.000 0.263 295 L C 0.464 177.364 176.870 0.050 0.000 1.014 295 L CA -0.410 54.471 54.840 0.068 0.000 0.820 295 L CB 2.364 44.462 42.059 0.064 0.000 1.352 295 L HN 0.478 nan 8.230 nan 0.000 0.421 296 S N -0.892 114.826 115.700 0.031 0.000 2.688 296 S HA 0.538 5.007 4.470 -0.000 0.000 0.275 296 S C -1.307 173.307 174.600 0.024 0.000 1.175 296 S CA -0.793 57.417 58.200 0.018 0.000 0.818 296 S CB 1.618 64.819 63.200 0.002 0.000 1.157 296 S HN 0.531 nan 8.310 nan 0.000 0.482 297 c N 2.827 121.446 118.600 0.033 0.000 2.255 297 c HA 0.561 5.130 4.570 -0.000 0.000 0.326 297 c C -1.216 172.864 174.090 -0.018 0.000 1.258 297 c CA -1.134 55.256 56.329 0.101 0.000 1.676 297 c CB 0.773 43.381 42.510 0.165 0.000 2.314 297 c HN 0.761 nan 8.230 nan 0.000 0.509 298 P HA -0.090 nan 4.420 nan 0.000 0.222 298 P C 1.227 178.222 177.300 -0.508 0.000 1.147 298 P CA 1.319 64.112 63.100 -0.512 0.000 0.790 298 P CB 0.040 31.206 31.700 -0.890 0.000 0.780 299 W N 0.177 121.453 121.300 -0.041 0.000 3.077 299 W HA 0.145 4.805 4.660 -0.000 0.000 0.245 299 W C 0.623 177.114 176.519 -0.046 0.000 1.316 299 W CA 0.228 57.545 57.345 -0.047 0.000 1.537 299 W CB -0.535 28.888 29.460 -0.062 0.000 1.131 299 W HN 0.126 nan 8.180 nan 0.000 0.695 300 K N -0.978 119.478 120.400 0.094 0.000 3.423 300 K HA -0.161 4.158 4.320 -0.000 0.000 0.306 300 K C -0.521 176.103 176.600 0.040 0.000 1.331 300 K CA 0.402 56.711 56.287 0.037 0.000 0.905 300 K CB -1.986 30.522 32.500 0.012 0.000 1.332 300 K HN -0.116 nan 8.250 nan 0.000 0.473 301 V N 1.794 121.744 119.914 0.059 0.000 2.376 301 V HA 0.328 4.448 4.120 -0.000 0.000 0.287 301 V C -1.821 174.260 176.094 -0.022 0.000 1.015 301 V CA -1.504 60.801 62.300 0.008 0.000 0.834 301 V CB 1.404 33.223 31.823 -0.006 0.000 1.001 301 V HN -0.028 nan 8.190 nan 0.000 0.428 302 P HA 0.431 nan 4.420 nan 0.000 0.278 302 P C -2.859 174.351 177.300 -0.150 0.000 1.258 302 P CA -2.174 60.884 63.100 -0.069 0.000 0.811 302 P CB 0.371 32.044 31.700 -0.045 0.000 1.063 303 P HA 0.263 nan 4.420 nan 0.000 0.272 303 P C -0.335 176.866 177.300 -0.165 0.000 1.223 303 P CA 0.172 63.070 63.100 -0.336 0.000 0.784 303 P CB 0.548 31.998 31.700 -0.417 0.000 0.923 304 R N 0.274 120.688 120.500 -0.143 0.000 2.686 304 R HA 0.432 4.771 4.340 -0.000 0.000 0.286 304 R C -0.342 176.011 176.300 0.088 0.000 0.969 304 R CA -0.688 55.397 56.100 -0.026 0.000 0.898 304 R CB 1.350 31.616 30.300 -0.057 0.000 1.183 304 R HN 0.336 nan 8.270 nan 0.000 0.456 305 T N 3.784 118.384 114.554 0.077 0.000 2.908 305 T HA 0.058 4.407 4.350 -0.000 0.000 0.301 305 T C 0.716 175.404 174.700 -0.020 0.000 1.019 305 T CA 0.091 62.212 62.100 0.034 0.000 1.152 305 T CB 0.141 69.011 68.868 0.004 0.000 0.966 305 T HN 0.186 nan 8.240 nan 0.000 0.540 306 I N 4.043 124.556 120.570 -0.095 0.000 2.496 306 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 306 I C 1.006 177.074 176.117 -0.081 0.000 1.080 306 I CA 0.100 61.343 61.300 -0.095 0.000 1.404 306 I CB 0.130 38.036 38.000 -0.157 0.000 1.403 306 I HN 0.763 nan 8.210 nan 0.000 0.539 307 S N 3.783 119.445 115.700 -0.062 0.000 2.661 307 S HA 0.441 4.911 4.470 -0.000 0.000 0.285 307 S C 0.340 174.910 174.600 -0.050 0.000 1.138 307 S CA -0.762 57.409 58.200 -0.047 0.000 0.855 307 S CB 2.149 65.329 63.200 -0.034 0.000 1.136 307 S HN 0.496 nan 8.310 nan 0.000 0.484 308 D N 0.652 121.033 120.400 -0.032 0.000 2.218 308 D HA -0.051 4.589 4.640 -0.000 0.000 0.204 308 D C 1.564 177.843 176.300 -0.036 0.000 0.976 308 D CA 1.433 55.417 54.000 -0.027 0.000 0.853 308 D CB -0.211 40.587 40.800 -0.003 0.000 0.939 308 D HN 0.552 nan 8.370 nan 0.000 0.481 309 Q N 0.028 119.809 119.800 -0.031 0.000 2.331 309 Q HA -0.014 4.325 4.340 -0.000 0.000 0.203 309 Q C 1.232 177.209 176.000 -0.038 0.000 0.944 309 Q CA 0.785 56.572 55.803 -0.027 0.000 0.892 309 Q CB -0.005 28.722 28.738 -0.018 0.000 0.983 309 Q HN 0.360 nan 8.270 nan 0.000 0.482 310 N N -1.732 116.936 118.700 -0.053 0.000 2.181 310 N HA -0.015 4.724 4.740 -0.000 0.000 0.207 310 N C 1.071 176.530 175.510 -0.086 0.000 1.182 310 N CA 0.126 53.144 53.050 -0.054 0.000 0.893 310 N CB -0.215 38.246 38.487 -0.042 0.000 1.032 310 N HN 0.051 nan 8.380 nan 0.000 0.513 311 V N 0.382 120.209 119.914 -0.146 0.000 2.515 311 V HA -0.008 4.111 4.120 -0.000 0.000 0.250 311 V C 2.208 178.080 176.094 -0.371 0.000 1.058 311 V CA 1.893 64.051 62.300 -0.236 0.000 1.064 311 V CB -0.816 30.840 31.823 -0.278 0.000 0.675 311 V HN 0.427 nan 8.190 nan 0.000 0.461 312 A N -0.092 122.500 122.820 -0.381 0.000 1.877 312 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 312 A C 2.427 180.044 177.584 0.056 0.000 1.186 312 A CA 2.101 54.052 52.037 -0.144 0.000 0.620 312 A CB -0.997 18.019 19.000 0.026 0.000 0.822 312 A HN 0.782 nan 8.150 nan 0.000 0.443 313 A N -0.421 122.411 122.820 0.020 0.000 1.898 313 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 313 A C 2.231 179.849 177.584 0.057 0.000 1.181 313 A CA 1.349 53.414 52.037 0.048 0.000 0.620 313 A CB -0.452 18.560 19.000 0.020 0.000 0.819 313 A HN 0.416 nan 8.150 nan 0.000 0.442 314 R N 0.170 120.695 120.500 0.042 0.000 2.091 314 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 314 R C 2.395 178.738 176.300 0.072 0.000 1.136 314 R CA 1.657 57.835 56.100 0.130 0.000 0.959 314 R CB -1.070 29.301 30.300 0.118 0.000 0.856 314 R HN 0.528 nan 8.270 nan 0.000 0.437 315 S N 1.281 116.977 115.700 -0.008 0.000 2.383 315 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 315 S C 1.331 175.823 174.600 -0.181 0.000 1.026 315 S CA 1.254 59.369 58.200 -0.142 0.000 0.981 315 S CB -0.187 63.070 63.200 0.095 0.000 0.818 315 S HN 0.277 nan 8.310 nan 0.000 0.472 316 D N 1.678 122.151 120.400 0.122 0.000 2.104 316 D HA -0.083 4.557 4.640 -0.000 0.000 0.194 316 D C 1.901 178.199 176.300 -0.003 0.000 0.994 316 D CA 0.903 55.021 54.000 0.196 0.000 0.830 316 D CB -0.429 40.496 40.800 0.208 0.000 0.959 316 D HN 0.303 nan 8.370 nan 0.000 0.452 317 L N -0.040 121.160 121.223 -0.039 0.000 2.027 317 L HA -0.153 4.186 4.340 -0.000 0.000 0.206 317 L C 2.413 179.101 176.870 -0.304 0.000 1.074 317 L CA 0.488 55.282 54.840 -0.077 0.000 0.745 317 L CB -0.234 41.849 42.059 0.041 0.000 0.898 317 L HN 0.059 nan 8.230 nan 0.000 0.433 318 L N -0.875 120.001 121.223 -0.579 0.000 2.027 318 L HA -0.122 4.217 4.340 -0.000 0.000 0.206 318 L C 2.328 178.511 176.870 -1.146 0.000 1.074 318 L CA 1.553 55.727 54.840 -1.110 0.000 0.745 318 L CB -0.323 40.795 42.059 -1.567 0.000 0.898 318 L HN -0.080 nan 8.230 nan 0.000 0.433 319 V N -0.046 119.307 119.914 -0.935 0.000 2.407 319 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 319 V C 2.289 178.197 176.094 -0.309 0.000 1.055 319 V CA 1.903 63.795 62.300 -0.680 0.000 1.049 319 V CB -0.790 30.552 31.823 -0.802 0.000 0.662 319 V HN 0.591 nan 8.190 nan 0.000 0.455 320 D N -0.807 119.477 120.400 -0.193 0.000 2.117 320 D HA -0.201 4.438 4.640 -0.000 0.000 0.197 320 D C 2.229 178.503 176.300 -0.043 0.000 0.987 320 D CA 1.107 55.111 54.000 0.006 0.000 0.829 320 D CB 0.003 40.866 40.800 0.105 0.000 0.961 320 D HN 0.288 nan 8.370 nan 0.000 0.460 321 Q N -0.451 119.253 119.800 -0.161 0.000 2.050 321 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 321 Q C 2.126 178.142 176.000 0.026 0.000 0.980 321 Q CA 0.999 56.733 55.803 -0.115 0.000 0.840 321 Q CB -0.619 27.984 28.738 -0.225 0.000 0.898 321 Q HN 0.552 nan 8.270 nan 0.000 0.424 322 W N 1.479 122.670 121.300 -0.182 0.000 2.338 322 W HA -0.117 4.543 4.660 -0.001 0.000 0.304 322 W C 2.092 178.498 176.519 -0.190 0.000 1.212 322 W CA 0.802 58.041 57.345 -0.177 0.000 1.264 322 W CB -0.680 28.648 29.460 -0.219 0.000 1.142 322 W HN 0.221 nan 8.180 nan 0.000 0.512 323 K N 0.099 120.464 120.400 -0.058 0.000 2.148 323 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 323 K C 1.958 178.423 176.600 -0.225 0.000 1.050 323 K CA 1.156 57.260 56.287 -0.305 0.000 0.942 323 K CB -0.192 31.813 32.500 -0.825 0.000 0.724 323 K HN 0.069 nan 8.250 nan 0.000 0.446 324 K N 1.019 121.374 120.400 -0.076 0.000 2.025 324 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 324 K C 2.103 178.775 176.600 0.119 0.000 1.049 324 K CA 1.245 57.606 56.287 0.123 0.000 0.933 324 K CB -0.024 32.558 32.500 0.136 0.000 0.714 324 K HN 0.008 nan 8.250 nan 0.000 0.438 325 K N 0.801 121.274 120.400 0.122 0.000 2.063 325 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 325 K C 2.050 178.769 176.600 0.198 0.000 1.048 325 K CA 1.406 57.791 56.287 0.163 0.000 0.928 325 K CB -0.133 32.476 32.500 0.183 0.000 0.713 325 K HN 0.158 nan 8.250 nan 0.000 0.442 326 A N 1.158 124.074 122.820 0.160 0.000 2.019 326 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 326 A C 1.724 179.473 177.584 0.276 0.000 1.164 326 A CA 1.365 53.530 52.037 0.212 0.000 0.644 326 A CB -0.335 18.742 19.000 0.129 0.000 0.805 326 A HN 0.314 nan 8.150 nan 0.000 0.449 327 E N -0.045 120.296 120.200 0.235 0.000 2.333 327 E HA -0.082 4.268 4.350 -0.000 0.000 0.198 327 E C 1.543 178.273 176.600 0.217 0.000 1.007 327 E CA 0.632 57.182 56.400 0.250 0.000 0.845 327 E CB -0.216 29.655 29.700 0.285 0.000 0.766 327 E HN 0.726 nan 8.360 nan 0.000 0.507 328 L N -0.694 120.617 121.223 0.148 0.000 2.591 328 L HA 0.067 4.406 4.340 -0.000 0.000 0.228 328 L C 0.178 176.853 176.870 -0.326 0.000 1.133 328 L CA 0.203 55.001 54.840 -0.070 0.000 0.880 328 L CB -0.037 41.865 42.059 -0.261 0.000 1.033 328 L HN -0.008 nan 8.230 nan 0.000 0.450 329 Y N -1.690 118.694 120.300 0.139 0.000 2.634 329 Y HA 0.381 4.930 4.550 -0.000 0.000 0.340 329 Y C 1.069 177.084 175.900 0.191 0.000 1.058 329 Y CA -0.967 57.234 58.100 0.168 0.000 1.081 329 Y CB 1.297 39.864 38.460 0.178 0.000 1.295 329 Y HN -0.287 nan 8.280 nan 0.000 0.487 330 R N -0.566 120.169 120.500 0.392 0.000 2.265 330 R HA 0.097 4.437 4.340 -0.000 0.000 0.194 330 R C 0.297 176.729 176.300 0.220 0.000 0.931 330 R CA 0.713 56.956 56.100 0.239 0.000 1.032 330 R CB 0.353 30.726 30.300 0.122 0.000 0.980 330 R HN 0.747 nan 8.270 nan 0.000 0.497 331 T N -0.847 113.879 114.554 0.286 0.000 2.922 331 T HA 0.103 4.452 4.350 -0.000 0.000 0.281 331 T C 0.637 175.484 174.700 0.245 0.000 1.005 331 T CA -0.939 61.298 62.100 0.228 0.000 0.982 331 T CB 1.236 70.220 68.868 0.192 0.000 1.158 331 T HN 0.073 nan 8.240 nan 0.000 0.566 332 N N 0.100 118.922 118.700 0.203 0.000 2.346 332 N HA 0.123 4.863 4.740 -0.000 0.000 0.225 332 N C -0.691 174.802 175.510 -0.028 0.000 1.144 332 N CA -0.354 52.774 53.050 0.131 0.000 0.837 332 N CB -0.194 38.295 38.487 0.004 0.000 1.069 332 N HN 0.380 nan 8.380 nan 0.000 0.487 333 V N 1.272 121.200 119.914 0.024 0.000 2.409 333 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 333 V C -0.636 175.534 176.094 0.127 0.000 1.020 333 V CA -0.970 61.347 62.300 0.029 0.000 0.848 333 V CB 1.510 33.336 31.823 0.006 0.000 0.990 333 V HN 0.167 nan 8.190 nan 0.000 0.430 334 L N 5.708 126.944 121.223 0.022 0.000 2.341 334 L HA 0.689 5.029 4.340 -0.000 0.000 0.278 334 L C -0.845 175.883 176.870 -0.236 0.000 1.005 334 L CA -0.495 54.275 54.840 -0.116 0.000 0.818 334 L CB 1.678 43.565 42.059 -0.286 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.326 127.208 121.223 -0.569 0.000 2.265 335 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 335 L C -0.995 175.585 176.870 -0.483 0.000 1.058 335 L CA 0.159 54.510 54.840 -0.816 0.000 0.809 335 L CB 0.732 41.830 42.059 -1.602 0.000 1.179 335 L HN 0.433 nan 8.230 nan 0.000 0.429 336 I N 7.411 127.781 120.570 -0.334 0.000 2.502 336 I HA 0.332 4.502 4.170 -0.000 0.000 0.276 336 I C -2.283 173.812 176.117 -0.038 0.000 1.057 336 I CA -1.997 59.199 61.300 -0.172 0.000 1.163 336 I CB 1.009 38.885 38.000 -0.207 0.000 1.288 336 I HN 0.420 nan 8.210 nan 0.000 0.479 337 P HA 0.137 nan 4.420 nan 0.000 0.269 337 P C -0.438 177.038 177.300 0.293 0.000 1.209 337 P CA -0.204 63.028 63.100 0.220 0.000 0.776 337 P CB 0.830 32.692 31.700 0.271 0.000 0.876 338 L N 2.890 124.328 121.223 0.359 0.000 2.454 338 L HA 0.757 5.097 4.340 -0.000 0.000 0.258 338 L C -0.124 176.811 176.870 0.107 0.000 1.025 338 L CA 0.390 55.361 54.840 0.218 0.000 0.901 338 L CB 0.522 42.641 42.059 0.099 0.000 1.210 338 L HN 0.625 nan 8.230 nan 0.000 0.457 339 G N 1.677 110.416 108.800 -0.100 0.000 2.342 339 G HA2 0.474 4.433 3.960 -0.000 0.000 0.297 339 G HA3 0.474 4.433 3.960 -0.000 0.000 0.297 339 G C -2.211 172.564 174.900 -0.208 0.000 1.313 339 G CA -0.234 44.562 45.100 -0.508 0.000 0.830 339 G HN 0.404 nan 8.290 nan 0.000 0.506 340 D N -1.747 118.591 120.400 -0.104 0.000 2.879 340 D HA 0.319 4.959 4.640 -0.000 0.000 0.346 340 D C -1.511 174.917 176.300 0.214 0.000 1.390 340 D CA -0.449 53.679 54.000 0.213 0.000 0.838 340 D CB 1.365 42.256 40.800 0.152 0.000 1.416 340 D HN 0.234 nan 8.370 nan 0.000 0.493 341 D N 0.421 121.011 120.400 0.316 0.000 2.450 341 D HA 0.217 4.856 4.640 -0.000 0.000 0.247 341 D C 0.210 176.656 176.300 0.243 0.000 1.162 341 D CA 0.571 54.735 54.000 0.273 0.000 0.879 341 D CB -0.296 40.777 40.800 0.455 0.000 1.163 341 D HN 0.378 nan 8.370 nan 0.000 0.472 342 F N 0.051 120.052 119.950 0.085 0.000 3.090 342 F HA -0.311 4.216 4.527 -0.000 0.000 0.282 342 F C 1.117 176.950 175.800 0.055 0.000 0.923 342 F CA 0.507 58.535 58.000 0.048 0.000 0.977 342 F CB -0.802 38.213 39.000 0.025 0.000 0.954 342 F HN 0.228 nan 8.300 nan 0.000 0.695 343 R N -0.310 120.267 120.500 0.129 0.000 2.649 343 R HA 0.451 4.791 4.340 -0.000 0.000 0.270 343 R C 0.685 177.014 176.300 0.049 0.000 1.105 343 R CA -0.657 55.412 56.100 -0.053 0.000 1.193 343 R CB -0.094 30.064 30.300 -0.237 0.000 1.120 343 R HN 0.248 nan 8.270 nan 0.000 0.561 344 F N -0.740 119.046 119.950 -0.273 0.000 3.040 344 F HA -0.290 4.237 4.527 -0.001 0.000 0.298 344 F C 1.341 177.093 175.800 -0.080 0.000 0.948 344 F CA 0.964 58.600 58.000 -0.607 0.000 1.022 344 F CB -0.899 37.465 39.000 -1.061 0.000 1.023 344 F HN 0.598 nan 8.300 nan 0.000 0.742 345 K N 0.248 120.703 120.400 0.093 0.000 2.054 345 K HA 0.086 4.406 4.320 -0.000 0.000 0.207 345 K C 0.795 177.565 176.600 0.282 0.000 1.031 345 K CA 0.589 57.014 56.287 0.230 0.000 0.952 345 K CB 0.189 32.790 32.500 0.167 0.000 0.775 345 K HN 0.408 nan 8.250 nan 0.000 0.447 346 Q N 1.141 121.069 119.800 0.215 0.000 2.340 346 Q HA 0.081 4.420 4.340 -0.000 0.000 0.249 346 Q C 0.575 176.777 176.000 0.337 0.000 0.957 346 Q CA -0.473 55.475 55.803 0.242 0.000 0.882 346 Q CB 1.045 29.935 28.738 0.253 0.000 1.235 346 Q HN 0.307 nan 8.270 nan 0.000 0.439 347 N N 0.767 119.630 118.700 0.272 0.000 2.094 347 N HA -0.170 4.569 4.740 -0.000 0.000 0.191 347 N C 1.732 177.408 175.510 0.277 0.000 1.023 347 N CA 2.131 55.342 53.050 0.268 0.000 0.857 347 N CB -0.370 38.220 38.487 0.172 0.000 1.013 347 N HN 0.720 nan 8.380 nan 0.000 0.426 348 T N -1.164 113.544 114.554 0.257 0.000 2.833 348 T HA -0.113 4.236 4.350 -0.000 0.000 0.269 348 T C 1.706 176.614 174.700 0.345 0.000 1.054 348 T CA 1.144 63.415 62.100 0.285 0.000 1.135 348 T CB -0.099 68.917 68.868 0.247 0.000 0.869 348 T HN 0.334 nan 8.240 nan 0.000 0.466 349 E N -0.180 120.180 120.200 0.267 0.000 2.072 349 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 349 E C 1.821 178.346 176.600 -0.125 0.000 0.982 349 E CA 0.758 57.090 56.400 -0.114 0.000 0.803 349 E CB -0.250 29.215 29.700 -0.392 0.000 0.755 349 E HN 0.702 nan 8.360 nan 0.000 0.453 350 W N 1.821 123.053 121.300 -0.112 0.000 2.318 350 W HA -0.217 4.442 4.660 -0.000 0.000 0.313 350 W C 2.147 178.530 176.519 -0.227 0.000 1.221 350 W CA 1.383 58.565 57.345 -0.271 0.000 1.266 350 W CB -0.388 28.596 29.460 -0.793 0.000 1.150 350 W HN 0.191 nan 8.180 nan 0.000 0.496 351 D N -0.589 119.914 120.400 0.171 0.000 2.097 351 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 351 D C 2.285 178.680 176.300 0.158 0.000 0.989 351 D CA 1.502 55.643 54.000 0.235 0.000 0.827 351 D CB -0.992 39.951 40.800 0.238 0.000 0.966 351 D HN 0.028 nan 8.370 nan 0.000 0.456 352 V N 0.837 120.830 119.914 0.131 0.000 2.427 352 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 352 V C 2.182 178.311 176.094 0.059 0.000 1.051 352 V CA 1.523 63.879 62.300 0.092 0.000 1.048 352 V CB -0.055 31.869 31.823 0.169 0.000 0.666 352 V HN 0.144 nan 8.190 nan 0.000 0.456 353 Q N -0.284 119.589 119.800 0.121 0.000 2.049 353 Q HA -0.179 4.160 4.340 -0.000 0.000 0.198 353 Q C 2.345 178.544 176.000 0.332 0.000 0.971 353 Q CA 1.878 57.849 55.803 0.279 0.000 0.833 353 Q CB -0.464 28.414 28.738 0.233 0.000 0.896 353 Q HN 0.617 nan 8.270 nan 0.000 0.434 354 R N 0.360 121.023 120.500 0.272 0.000 2.070 354 R HA -0.101 4.239 4.340 -0.000 0.000 0.233 354 R C 2.262 178.741 176.300 0.298 0.000 1.137 354 R CA 1.343 57.656 56.100 0.355 0.000 0.945 354 R CB -0.338 30.169 30.300 0.345 0.000 0.845 354 R HN 0.112 nan 8.270 nan 0.000 0.430 355 V N 1.648 121.656 119.914 0.156 0.000 2.427 355 V HA -0.195 3.924 4.120 -0.000 0.000 0.248 355 V C 1.693 177.738 176.094 -0.081 0.000 1.051 355 V CA 1.849 64.186 62.300 0.063 0.000 1.048 355 V CB -0.403 31.447 31.823 0.045 0.000 0.666 355 V HN 0.449 nan 8.190 nan 0.000 0.456 356 N N -0.830 117.712 118.700 -0.263 0.000 2.142 356 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 356 N C 1.763 176.976 175.510 -0.495 0.000 1.023 356 N CA 1.876 54.560 53.050 -0.611 0.000 0.852 356 N CB -0.375 37.159 38.487 -1.589 0.000 0.998 356 N HN 0.578 nan 8.380 nan 0.000 0.424 357 Y N 1.981 122.100 120.300 -0.301 0.000 2.224 357 Y HA -0.097 4.453 4.550 -0.001 0.000 0.289 357 Y C 2.386 177.804 175.900 -0.804 0.000 1.146 357 Y CA 1.092 58.892 58.100 -0.501 0.000 1.182 357 Y CB -0.105 38.163 38.460 -0.320 0.000 0.983 357 Y HN 0.137 nan 8.280 nan 0.000 0.524 358 E N -0.204 119.871 120.200 -0.207 0.000 2.085 358 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 358 E C 2.224 178.785 176.600 -0.066 0.000 0.994 358 E CA 1.152 57.508 56.400 -0.073 0.000 0.801 358 E CB -0.150 29.629 29.700 0.132 0.000 0.743 358 E HN 0.463 nan 8.360 nan 0.000 0.453 359 R N 0.307 120.746 120.500 -0.101 0.000 2.081 359 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 359 R C 2.470 178.750 176.300 -0.033 0.000 1.131 359 R CA 0.900 56.967 56.100 -0.055 0.000 0.960 359 R CB -0.288 29.958 30.300 -0.089 0.000 0.856 359 R HN 0.168 nan 8.270 nan 0.000 0.436 360 L N -0.422 120.718 121.223 -0.139 0.000 2.017 360 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 360 L C 2.239 179.175 176.870 0.111 0.000 1.073 360 L CA 1.535 56.333 54.840 -0.071 0.000 0.745 360 L CB -0.466 41.474 42.059 -0.199 0.000 0.894 360 L HN 0.150 nan 8.230 nan 0.000 0.432 361 F N -0.034 119.944 119.950 0.047 0.000 2.134 361 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 361 F C 2.711 178.530 175.800 0.031 0.000 1.097 361 F CA 1.051 59.066 58.000 0.025 0.000 1.264 361 F CB -0.246 38.724 39.000 -0.051 0.000 1.001 361 F HN 0.180 nan 8.300 nan 0.000 0.479 362 E N 0.067 120.402 120.200 0.225 0.000 2.077 362 E HA -0.309 4.041 4.350 -0.000 0.000 0.193 362 E C 1.979 178.671 176.600 0.153 0.000 0.989 362 E CA 1.594 58.086 56.400 0.154 0.000 0.800 362 E CB -0.197 29.575 29.700 0.120 0.000 0.746 362 E HN 0.488 nan 8.360 nan 0.000 0.452 363 H N 0.211 119.333 119.070 0.087 0.000 2.299 363 H HA -0.058 4.498 4.556 -0.000 0.000 0.302 363 H C 2.055 177.465 175.328 0.136 0.000 1.078 363 H CA 2.261 58.368 56.048 0.098 0.000 1.323 363 H CB -0.186 29.630 29.762 0.091 0.000 1.381 363 H HN 0.160 nan 8.280 nan 0.000 0.498 364 I N 0.425 121.088 120.570 0.156 0.000 2.208 364 I HA -0.286 3.883 4.170 -0.000 0.000 0.245 364 I C 1.639 177.798 176.117 0.070 0.000 1.097 364 I CA 1.380 62.745 61.300 0.108 0.000 1.363 364 I CB -0.287 37.730 38.000 0.028 0.000 1.051 364 I HN 0.364 nan 8.210 nan 0.000 0.413 365 N N 0.222 118.952 118.700 0.050 0.000 2.459 365 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 365 N C 1.793 177.293 175.510 -0.018 0.000 1.046 365 N CA 1.367 54.418 53.050 0.003 0.000 0.904 365 N CB -0.189 38.292 38.487 -0.010 0.000 0.964 365 N HN 0.392 nan 8.380 nan 0.000 0.444 366 S N -0.980 114.699 115.700 -0.035 0.000 2.535 366 S HA 0.146 4.615 4.470 -0.000 0.000 0.214 366 S C 0.481 175.019 174.600 -0.103 0.000 0.980 366 S CA -0.197 57.971 58.200 -0.053 0.000 0.907 366 S CB 0.291 63.470 63.200 -0.034 0.000 0.790 366 S HN -0.028 nan 8.310 nan 0.000 0.510 367 Q N 1.238 120.941 119.800 -0.162 0.000 2.430 367 Q HA 0.546 4.886 4.340 -0.000 0.000 0.245 367 Q C 0.820 176.646 176.000 -0.290 0.000 1.021 367 Q CA 0.073 55.715 55.803 -0.267 0.000 0.867 367 Q CB 1.315 29.760 28.738 -0.487 0.000 1.210 367 Q HN 0.431 nan 8.270 nan 0.000 0.487 368 A N 2.619 125.351 122.820 -0.148 0.000 1.978 368 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 368 A C 1.611 179.129 177.584 -0.110 0.000 1.170 368 A CA 2.040 54.026 52.037 -0.085 0.000 0.636 368 A CB -0.673 18.314 19.000 -0.022 0.000 0.810 368 A HN 0.876 nan 8.150 nan 0.000 0.448 369 H N -3.000 115.991 119.070 -0.131 0.000 2.489 369 H HA -0.038 4.518 4.556 -0.001 0.000 0.295 369 H C 1.489 176.753 175.328 -0.106 0.000 1.082 369 H CA 1.610 57.568 56.048 -0.150 0.000 1.295 369 H CB -0.765 28.852 29.762 -0.241 0.000 1.380 369 H HN 0.509 nan 8.280 nan 0.000 0.548 370 F N 0.812 120.504 119.950 -0.429 0.000 2.367 370 F HA -0.021 4.506 4.527 -0.001 0.000 0.298 370 F C 0.627 176.394 175.800 -0.054 0.000 1.094 370 F CA 0.302 58.201 58.000 -0.169 0.000 1.409 370 F CB 0.007 38.876 39.000 -0.219 0.000 1.064 370 F HN 0.126 nan 8.300 nan 0.000 0.528 371 N N 0.889 119.652 118.700 0.106 0.000 2.725 371 N HA -0.165 4.575 4.740 -0.000 0.000 0.251 371 N C -1.162 174.352 175.510 0.007 0.000 1.031 371 N CA 0.380 53.475 53.050 0.074 0.000 0.720 371 N CB -1.494 37.076 38.487 0.138 0.000 0.930 371 N HN 0.035 nan 8.380 nan 0.000 0.543 372 V N 0.610 120.519 119.914 -0.009 0.000 2.735 372 V HA 0.405 4.525 4.120 -0.000 0.000 0.310 372 V C 0.096 176.123 176.094 -0.111 0.000 1.061 372 V CA -0.670 61.573 62.300 -0.094 0.000 0.913 372 V CB 2.505 34.306 31.823 -0.035 0.000 1.005 372 V HN 0.188 nan 8.190 nan 0.000 0.428 373 Q N 2.997 122.671 119.800 -0.209 0.000 2.339 373 Q HA 0.760 5.099 4.340 -0.000 0.000 0.268 373 Q C -0.804 174.952 176.000 -0.407 0.000 1.027 373 Q CA -0.126 55.527 55.803 -0.250 0.000 0.759 373 Q CB 1.629 30.223 28.738 -0.240 0.000 1.244 373 Q HN 1.007 nan 8.270 nan 0.000 0.464 374 A N 4.301 126.864 122.820 -0.427 0.000 2.350 374 A HA 0.887 5.206 4.320 -0.000 0.000 0.324 374 A C -1.183 175.735 177.584 -1.110 0.000 1.118 374 A CA -0.505 51.110 52.037 -0.704 0.000 0.783 374 A CB 1.167 19.928 19.000 -0.398 0.000 1.236 374 A HN 0.803 nan 8.150 nan 0.000 0.457 375 Q N 0.863 119.906 119.800 -1.261 0.000 2.575 375 Q HA 0.543 4.882 4.340 -0.000 0.000 0.290 375 Q C -1.570 174.008 176.000 -0.703 0.000 0.963 375 Q CA -0.780 54.347 55.803 -1.128 0.000 0.783 375 Q CB 0.819 29.251 28.738 -0.511 0.000 1.467 375 Q HN 0.481 nan 8.270 nan 0.000 0.402 376 F N 0.393 120.268 119.950 -0.125 0.000 2.518 376 F HA 0.575 5.101 4.527 -0.000 0.000 0.359 376 F C 1.189 177.038 175.800 0.081 0.000 1.118 376 F CA 1.150 59.196 58.000 0.076 0.000 1.287 376 F CB 1.028 40.126 39.000 0.164 0.000 1.132 376 F HN 0.742 nan 8.300 nan 0.000 0.587 377 G N 0.523 109.503 108.800 0.299 0.000 2.727 377 G HA2 0.582 4.542 3.960 -0.000 0.000 0.289 377 G HA3 0.582 4.542 3.960 -0.000 0.000 0.289 377 G C -1.174 173.728 174.900 0.004 0.000 1.418 377 G CA -0.727 44.485 45.100 0.185 0.000 0.818 377 G HN 0.667 nan 8.290 nan 0.000 0.486 378 T N -1.887 112.594 114.554 -0.122 0.000 2.937 378 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 378 T C 1.276 175.822 174.700 -0.256 0.000 1.012 378 T CA -0.459 61.530 62.100 -0.186 0.000 0.997 378 T CB 1.528 70.302 68.868 -0.157 0.000 1.136 378 T HN 0.565 nan 8.240 nan 0.000 0.551 379 L N 0.528 121.600 121.223 -0.251 0.000 2.056 379 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 379 L C 2.754 179.580 176.870 -0.074 0.000 1.078 379 L CA 1.962 56.680 54.840 -0.203 0.000 0.749 379 L CB -1.139 40.836 42.059 -0.140 0.000 0.901 379 L HN 0.892 nan 8.230 nan 0.000 0.433 380 Q N -0.085 119.701 119.800 -0.023 0.000 2.124 380 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 380 Q C 2.053 177.992 176.000 -0.103 0.000 0.977 380 Q CA 1.884 57.708 55.803 0.036 0.000 0.850 380 Q CB -0.151 28.582 28.738 -0.009 0.000 0.901 380 Q HN 0.633 nan 8.270 nan 0.000 0.429 381 E N -1.128 118.923 120.200 -0.250 0.000 2.077 381 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 381 E C 1.687 177.859 176.600 -0.713 0.000 0.989 381 E CA 1.206 57.335 56.400 -0.451 0.000 0.800 381 E CB -0.335 29.022 29.700 -0.573 0.000 0.746 381 E HN 0.472 nan 8.360 nan 0.000 0.452 382 Y N 0.685 120.460 120.300 -0.875 0.000 2.097 382 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 382 Y C 1.890 177.507 175.900 -0.472 0.000 1.152 382 Y CA 1.761 59.389 58.100 -0.787 0.000 1.136 382 Y CB -0.642 37.375 38.460 -0.739 0.000 0.975 382 Y HN -0.036 nan 8.280 nan 0.000 0.498 383 F N 0.509 120.204 119.950 -0.424 0.000 2.171 383 F HA -0.228 4.299 4.527 -0.001 0.000 0.300 383 F C 2.241 177.820 175.800 -0.369 0.000 1.090 383 F CA 1.234 58.964 58.000 -0.449 0.000 1.293 383 F CB -0.346 38.577 39.000 -0.127 0.000 1.013 383 F HN 0.088 nan 8.300 nan 0.000 0.486 384 D N 0.396 120.751 120.400 -0.074 0.000 2.123 384 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 384 D C 2.280 178.510 176.300 -0.117 0.000 0.992 384 D CA 1.491 55.453 54.000 -0.063 0.000 0.833 384 D CB -0.553 40.200 40.800 -0.078 0.000 0.954 384 D HN 0.265 nan 8.370 nan 0.000 0.455 385 A N 0.465 123.160 122.820 -0.209 0.000 1.929 385 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 385 A C 2.528 179.997 177.584 -0.192 0.000 1.176 385 A CA 0.862 52.819 52.037 -0.134 0.000 0.628 385 A CB -0.624 18.366 19.000 -0.017 0.000 0.816 385 A HN 0.129 nan 8.150 nan 0.000 0.444 386 V N -0.019 119.648 119.914 -0.411 0.000 2.287 386 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 386 V C 2.413 178.327 176.094 -0.300 0.000 1.053 386 V CA 2.195 64.244 62.300 -0.418 0.000 1.027 386 V CB -1.015 30.377 31.823 -0.719 0.000 0.646 386 V HN 0.657 nan 8.190 nan 0.000 0.447 387 H N -0.428 118.528 119.070 -0.190 0.000 2.470 387 H HA -0.044 4.512 4.556 -0.001 0.000 0.289 387 H C 2.403 177.695 175.328 -0.060 0.000 1.033 387 H CA 1.189 57.155 56.048 -0.137 0.000 1.331 387 H CB -0.017 29.623 29.762 -0.203 0.000 1.414 387 H HN 0.558 nan 8.280 nan 0.000 0.545 388 Q N 0.311 120.131 119.800 0.034 0.000 2.124 388 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 388 Q C 2.528 178.547 176.000 0.033 0.000 0.977 388 Q CA 1.252 57.071 55.803 0.025 0.000 0.850 388 Q CB 0.038 28.780 28.738 0.006 0.000 0.901 388 Q HN 0.394 nan 8.270 nan 0.000 0.429 389 A N 1.020 123.857 122.820 0.028 0.000 1.898 389 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 389 A C 1.932 179.552 177.584 0.059 0.000 1.181 389 A CA 1.540 53.607 52.037 0.050 0.000 0.620 389 A CB -0.513 18.521 19.000 0.058 0.000 0.819 389 A HN 0.432 nan 8.150 nan 0.000 0.442 390 E N -0.183 120.070 120.200 0.088 0.000 2.058 390 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 390 E C 2.257 178.900 176.600 0.071 0.000 0.997 390 E CA 1.223 57.685 56.400 0.103 0.000 0.801 390 E CB -0.149 29.716 29.700 0.274 0.000 0.746 390 E HN 0.568 nan 8.360 nan 0.000 0.450 391 R N -0.292 120.251 120.500 0.072 0.000 2.120 391 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 391 R C 2.147 178.466 176.300 0.032 0.000 1.123 391 R CA 0.939 57.066 56.100 0.046 0.000 0.975 391 R CB -0.188 30.134 30.300 0.035 0.000 0.866 391 R HN 0.146 nan 8.270 nan 0.000 0.446 392 A N 0.005 122.845 122.820 0.033 0.000 2.235 392 A HA 0.162 4.481 4.320 -0.000 0.000 0.208 392 A C 1.347 178.944 177.584 0.023 0.000 1.172 392 A CA 0.872 52.926 52.037 0.028 0.000 0.786 392 A CB -0.131 18.891 19.000 0.036 0.000 0.804 392 A HN 0.470 nan 8.150 nan 0.000 0.479 393 G N -1.360 107.451 108.800 0.018 0.000 2.141 393 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 393 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 393 G C 0.734 175.631 174.900 -0.006 0.000 0.982 393 G CA 0.570 45.672 45.100 0.003 0.000 0.662 393 G HN 0.504 nan 8.290 nan 0.000 0.527 394 Q N -0.528 119.274 119.800 0.004 0.000 2.311 394 Q HA 0.493 4.833 4.340 -0.000 0.000 0.203 394 Q C 1.149 177.128 176.000 -0.035 0.000 0.954 394 Q CA 1.324 57.133 55.803 0.010 0.000 0.885 394 Q CB 0.074 28.851 28.738 0.065 0.000 0.963 394 Q HN 1.228 nan 8.270 nan 0.000 0.471 395 A N 0.631 123.388 122.820 -0.106 0.000 2.604 395 A HA 0.468 4.788 4.320 -0.000 0.000 0.295 395 A C -1.601 175.766 177.584 -0.363 0.000 1.067 395 A CA -0.765 51.112 52.037 -0.266 0.000 0.683 395 A CB 1.492 20.261 19.000 -0.385 0.000 1.281 395 A HN 0.201 nan 8.150 nan 0.000 0.407 396 E N 1.195 121.155 120.200 -0.401 0.000 2.266 396 E HA 0.733 5.083 4.350 -0.000 0.000 0.268 396 E C -1.851 174.524 176.600 -0.375 0.000 0.879 396 E CA -0.515 55.711 56.400 -0.289 0.000 0.762 396 E CB 1.369 31.015 29.700 -0.089 0.000 1.199 396 E HN 0.428 nan 8.360 nan 0.000 0.422 397 F N 2.916 122.970 119.950 0.173 0.000 2.450 397 F HA 0.460 4.987 4.527 0.000 0.000 0.332 397 F C -1.740 174.159 175.800 0.165 0.000 1.093 397 F CA -2.049 56.076 58.000 0.208 0.000 1.003 397 F CB 1.490 40.693 39.000 0.337 0.000 1.151 397 F HN 0.381 nan 8.300 nan 0.000 0.474 398 P HA 0.155 nan 4.420 nan 0.000 0.274 398 P C -0.649 176.788 177.300 0.229 0.000 1.237 398 P CA -0.394 62.834 63.100 0.212 0.000 0.793 398 P CB 0.961 32.754 31.700 0.155 0.000 0.977 399 T N -0.583 114.059 114.554 0.147 0.000 2.907 399 T HA 0.663 5.013 4.350 -0.000 0.000 0.284 399 T C -0.295 174.433 174.700 0.046 0.000 1.004 399 T CA -0.771 61.407 62.100 0.129 0.000 1.063 399 T CB 0.923 69.847 68.868 0.093 0.000 0.992 399 T HN 0.451 nan 8.240 nan 0.000 0.483 400 L N 1.911 123.162 121.223 0.046 0.000 2.445 400 L HA 0.718 5.058 4.340 -0.000 0.000 0.262 400 L C -0.662 176.200 176.870 -0.014 0.000 0.974 400 L CA -0.426 54.333 54.840 -0.135 0.000 0.822 400 L CB 2.196 43.933 42.059 -0.537 0.000 1.339 400 L HN 1.110 nan 8.230 nan 0.000 0.409 401 S N 2.476 118.125 115.700 -0.084 0.000 2.632 401 S HA 1.061 5.531 4.470 -0.000 0.000 0.289 401 S C -0.310 174.217 174.600 -0.121 0.000 1.115 401 S CA -0.031 58.176 58.200 0.012 0.000 0.889 401 S CB 2.058 65.231 63.200 -0.045 0.000 1.116 401 S HN 1.673 nan 8.310 nan 0.000 0.486 402 G N 0.981 109.771 108.800 -0.016 0.000 2.331 402 G HA2 0.318 4.278 3.960 -0.000 0.000 0.479 402 G HA3 0.318 4.278 3.960 -0.000 0.000 0.479 402 G C -1.788 173.027 174.900 -0.142 0.000 1.262 402 G CA -0.021 44.973 45.100 -0.177 0.000 1.029 402 G HN 1.288 nan 8.290 nan 0.000 0.487 403 D N -1.618 118.564 120.400 -0.363 0.000 2.585 403 D HA 0.744 5.384 4.640 -0.000 0.000 0.254 403 D C -0.561 175.247 176.300 -0.820 0.000 1.067 403 D CA -1.093 52.714 54.000 -0.321 0.000 1.090 403 D CB 1.112 41.904 40.800 -0.012 0.000 1.408 403 D HN 0.431 nan 8.370 nan 0.000 0.554 404 F N -0.450 119.383 119.950 -0.195 0.000 2.679 404 F HA 0.411 4.937 4.527 -0.001 0.000 0.354 404 F C -0.770 174.861 175.800 -0.282 0.000 1.423 404 F CA -0.672 57.208 58.000 -0.199 0.000 1.141 404 F CB 0.243 39.155 39.000 -0.147 0.000 1.168 404 F HN -0.001 nan 8.300 nan 0.000 0.530 405 F N -0.310 119.824 119.950 0.307 0.000 2.561 405 F HA 0.535 5.062 4.527 -0.000 0.000 0.321 405 F C 0.514 176.575 175.800 0.435 0.000 1.065 405 F CA -1.296 56.954 58.000 0.415 0.000 0.934 405 F CB 1.922 41.156 39.000 0.390 0.000 1.215 405 F HN -0.137 nan 8.300 nan 0.000 0.471 406 T N -0.920 114.018 114.554 0.640 0.000 2.806 406 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 406 T C -0.784 174.380 174.700 0.774 0.000 0.966 406 T CA -0.520 62.022 62.100 0.737 0.000 1.060 406 T CB 0.793 69.964 68.868 0.505 0.000 0.927 406 T HN 0.428 nan 8.240 nan 0.000 0.485 407 Y N 2.498 123.126 120.300 0.547 0.000 2.497 407 Y HA 0.419 4.969 4.550 -0.001 0.000 0.334 407 Y C -0.127 175.833 175.900 0.099 0.000 1.199 407 Y CA -0.954 57.301 58.100 0.258 0.000 1.425 407 Y CB -0.001 38.492 38.460 0.055 0.000 1.291 407 Y HN 1.013 nan 8.280 nan 0.000 0.562 408 A N 5.061 127.449 122.820 -0.721 0.000 2.374 408 A HA 0.369 4.689 4.320 -0.000 0.000 0.305 408 A C -0.064 176.902 177.584 -1.031 0.000 1.053 408 A CA -0.259 51.190 52.037 -0.981 0.000 0.726 408 A CB 0.715 18.889 19.000 -1.377 0.000 1.229 408 A HN 0.799 nan 8.150 nan 0.000 0.431 409 D N 1.546 121.484 120.400 -0.769 0.000 2.327 409 D HA 0.046 4.685 4.640 -0.000 0.000 0.205 409 D C 0.537 176.836 176.300 -0.001 0.000 0.989 409 D CA 0.599 54.398 54.000 -0.335 0.000 0.873 409 D CB 0.162 40.884 40.800 -0.129 0.000 0.955 409 D HN 0.726 nan 8.370 nan 0.000 0.515 410 R N -2.262 118.181 120.500 -0.094 0.000 2.687 410 R HA 0.422 4.761 4.340 -0.000 0.000 0.265 410 R C -0.194 176.001 176.300 -0.174 0.000 1.048 410 R CA -0.263 55.642 56.100 -0.326 0.000 0.884 410 R CB 0.876 31.062 30.300 -0.190 0.000 1.258 410 R HN -0.110 nan 8.270 nan 0.000 0.469 411 S N 0.222 115.777 115.700 -0.241 0.000 3.938 411 S HA -0.288 4.182 4.470 -0.000 0.000 0.624 411 S C 0.428 175.108 174.600 0.134 0.000 2.186 411 S CA 1.923 60.120 58.200 -0.004 0.000 4.144 411 S CB -1.038 62.145 63.200 -0.029 0.000 0.230 411 S HN 1.088 nan 8.310 nan 0.000 0.755 412 D N 1.409 121.878 120.400 0.115 0.000 2.388 412 D HA 0.182 4.821 4.640 -0.000 0.000 0.221 412 D C 0.042 176.457 176.300 0.192 0.000 1.133 412 D CA -0.098 54.035 54.000 0.222 0.000 0.831 412 D CB -1.374 39.541 40.800 0.191 0.000 0.962 412 D HN 0.499 nan 8.370 nan 0.000 0.502 413 N N 0.934 119.648 118.700 0.023 0.000 2.807 413 N HA 0.058 4.798 4.740 -0.000 0.000 0.259 413 N C -0.944 174.594 175.510 0.046 0.000 1.149 413 N CA -0.324 52.745 53.050 0.033 0.000 1.042 413 N CB 0.169 38.660 38.487 0.006 0.000 1.367 413 N HN 0.132 nan 8.380 nan 0.000 0.516 414 Y N 0.227 120.617 120.300 0.151 0.000 2.316 414 Y HA 0.121 4.671 4.550 -0.001 0.000 0.331 414 Y C 0.099 176.200 175.900 0.334 0.000 1.083 414 Y CA -0.658 57.591 58.100 0.248 0.000 1.206 414 Y CB 0.607 39.161 38.460 0.156 0.000 1.195 414 Y HN 0.398 nan 8.280 nan 0.000 0.497 415 W N 2.377 123.812 121.300 0.225 0.000 1.809 415 W HA 0.236 4.896 4.660 -0.000 0.000 0.399 415 W C 0.860 177.426 176.519 0.077 0.000 0.636 415 W CA -0.703 56.803 57.345 0.269 0.000 2.178 415 W CB -0.504 29.216 29.460 0.433 0.000 1.632 415 W HN 0.553 nan 8.180 nan 0.000 0.470 416 S N -2.046 113.689 115.700 0.058 0.000 2.535 416 S HA 0.116 4.586 4.470 -0.000 0.000 0.214 416 S C 1.982 176.317 174.600 -0.441 0.000 0.980 416 S CA 0.387 58.269 58.200 -0.530 0.000 0.907 416 S CB 0.093 63.296 63.200 0.005 0.000 0.790 416 S HN 0.335 nan 8.310 nan 0.000 0.510 417 G N 1.999 110.739 108.800 -0.100 0.000 2.422 417 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 417 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 417 G C 1.253 176.133 174.900 -0.033 0.000 1.146 417 G CA 0.935 45.988 45.100 -0.078 0.000 0.769 417 G HN 0.817 nan 8.290 nan 0.000 0.547 418 Y N -0.981 119.291 120.300 -0.047 0.000 2.578 418 Y HA 0.218 4.768 4.550 -0.001 0.000 0.297 418 Y C 1.957 177.975 175.900 0.197 0.000 1.176 418 Y CA -0.168 57.980 58.100 0.080 0.000 1.315 418 Y CB -0.520 38.063 38.460 0.205 0.000 1.031 418 Y HN 0.332 nan 8.280 nan 0.000 0.524 419 Y N 0.276 120.364 120.300 -0.352 0.000 2.497 419 Y HA -0.113 4.436 4.550 -0.001 0.000 0.292 419 Y C 1.488 177.344 175.900 -0.075 0.000 1.137 419 Y CA 0.710 58.643 58.100 -0.279 0.000 1.285 419 Y CB 0.141 38.471 38.460 -0.217 0.000 0.991 419 Y HN 0.254 nan 8.280 nan 0.000 0.556 420 T N -2.291 112.329 114.554 0.111 0.000 2.954 420 T HA 0.055 4.404 4.350 -0.000 0.000 0.252 420 T C 0.624 175.409 174.700 0.142 0.000 0.983 420 T CA -0.163 62.004 62.100 0.112 0.000 0.941 420 T CB 0.150 69.055 68.868 0.062 0.000 1.141 420 T HN -0.087 nan 8.240 nan 0.000 0.500 421 S N 2.427 118.209 115.700 0.137 0.000 2.558 421 S HA 0.223 4.693 4.470 -0.000 0.000 0.293 421 S C 0.394 175.124 174.600 0.217 0.000 1.292 421 S CA -0.055 58.237 58.200 0.152 0.000 1.063 421 S CB 0.117 63.393 63.200 0.128 0.000 0.831 421 S HN 0.394 nan 8.310 nan 0.000 0.499 422 R N 0.981 121.626 120.500 0.242 0.000 3.205 422 R HA -0.119 4.221 4.340 -0.000 0.000 0.249 422 R C -2.028 174.511 176.300 0.398 0.000 0.937 422 R CA 0.661 56.975 56.100 0.357 0.000 0.641 422 R CB -1.831 28.715 30.300 0.409 0.000 1.114 422 R HN 0.506 nan 8.270 nan 0.000 0.451 423 P HA -0.215 nan 4.420 nan 0.000 0.223 423 P C 1.115 178.611 177.300 0.327 0.000 1.151 423 P CA 0.930 64.238 63.100 0.346 0.000 0.787 423 P CB -0.010 31.941 31.700 0.417 0.000 0.788 424 Y N 1.560 121.931 120.300 0.118 0.000 2.128 424 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 424 Y C 2.638 178.500 175.900 -0.063 0.000 1.154 424 Y CA 1.934 60.014 58.100 -0.034 0.000 1.149 424 Y CB -0.773 37.540 38.460 -0.245 0.000 0.976 424 Y HN 0.064 nan 8.280 nan 0.000 0.505 425 H N -0.454 118.842 119.070 0.377 0.000 2.436 425 H HA -0.029 4.526 4.556 -0.001 0.000 0.294 425 H C 2.053 177.508 175.328 0.212 0.000 1.048 425 H CA 1.224 57.414 56.048 0.237 0.000 1.353 425 H CB -0.035 29.935 29.762 0.347 0.000 1.414 425 H HN 0.387 nan 8.280 nan 0.000 0.536 426 K N 0.732 121.337 120.400 0.341 0.000 2.063 426 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 426 K C 2.427 179.072 176.600 0.074 0.000 1.048 426 K CA 1.263 57.690 56.287 0.233 0.000 0.928 426 K CB 0.078 32.700 32.500 0.203 0.000 0.713 426 K HN -0.016 nan 8.250 nan 0.000 0.442 427 R N 1.352 121.865 120.500 0.021 0.000 2.075 427 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 427 R C 2.072 178.111 176.300 -0.436 0.000 1.126 427 R CA 1.490 57.529 56.100 -0.102 0.000 0.963 427 R CB -0.447 29.883 30.300 0.051 0.000 0.858 427 R HN 0.173 nan 8.270 nan 0.000 0.435 428 M N 0.257 119.467 119.600 -0.650 0.000 2.149 428 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 428 M C 1.445 177.371 176.300 -0.623 0.000 1.064 428 M CA 2.419 57.080 55.300 -1.064 0.000 1.102 428 M CB -0.330 31.829 32.600 -0.736 0.000 1.369 428 M HN 0.283 nan 8.290 nan 0.000 0.408 429 D N -0.274 119.962 120.400 -0.274 0.000 2.116 429 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 429 D C 1.898 178.096 176.300 -0.169 0.000 0.998 429 D CA 1.464 55.408 54.000 -0.094 0.000 0.836 429 D CB 0.118 41.016 40.800 0.164 0.000 0.951 429 D HN 0.221 nan 8.370 nan 0.000 0.449 430 R N 0.042 120.425 120.500 -0.196 0.000 2.090 430 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 430 R C 2.430 178.581 176.300 -0.247 0.000 1.110 430 R CA 0.444 56.434 56.100 -0.182 0.000 0.973 430 R CB -0.952 29.266 30.300 -0.137 0.000 0.869 430 R HN 0.262 nan 8.270 nan 0.000 0.440 431 V N 1.542 121.195 119.914 -0.434 0.000 2.261 431 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 431 V C 2.387 178.189 176.094 -0.486 0.000 1.047 431 V CA 1.545 63.512 62.300 -0.555 0.000 1.015 431 V CB -0.608 30.598 31.823 -1.028 0.000 0.642 431 V HN 0.137 nan 8.190 nan 0.000 0.446 432 L N -0.385 120.551 121.223 -0.479 0.000 2.083 432 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 432 L C 2.325 179.110 176.870 -0.142 0.000 1.083 432 L CA 2.056 56.718 54.840 -0.296 0.000 0.752 432 L CB -0.672 41.223 42.059 -0.273 0.000 0.899 432 L HN 0.336 nan 8.230 nan 0.000 0.433 433 M N -1.373 118.142 119.600 -0.142 0.000 2.088 433 M HA -0.325 4.155 4.480 -0.000 0.000 0.256 433 M C 2.451 178.709 176.300 -0.070 0.000 1.071 433 M CA 2.393 57.621 55.300 -0.120 0.000 1.097 433 M CB -0.657 31.841 32.600 -0.170 0.000 1.315 433 M HN 0.534 nan 8.290 nan 0.000 0.406 434 H N -0.971 118.052 119.070 -0.080 0.000 2.357 434 H HA -0.175 4.380 4.556 -0.001 0.000 0.301 434 H C 1.696 177.124 175.328 0.165 0.000 1.082 434 H CA 1.994 58.058 56.048 0.027 0.000 1.342 434 H CB -0.183 29.613 29.762 0.056 0.000 1.389 434 H HN 0.455 nan 8.280 nan 0.000 0.511 435 Y N 0.521 120.678 120.300 -0.238 0.000 2.242 435 Y HA -0.145 4.405 4.550 -0.001 0.000 0.291 435 Y C 2.936 178.716 175.900 -0.200 0.000 1.137 435 Y CA 0.801 58.767 58.100 -0.225 0.000 1.181 435 Y CB -0.664 37.727 38.460 -0.114 0.000 0.989 435 Y HN 0.026 nan 8.280 nan 0.000 0.527 436 V N 0.198 120.100 119.914 -0.020 0.000 2.261 436 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 436 V C 2.556 178.589 176.094 -0.101 0.000 1.047 436 V CA 2.222 64.482 62.300 -0.068 0.000 1.015 436 V CB -0.633 31.145 31.823 -0.075 0.000 0.642 436 V HN 0.283 nan 8.190 nan 0.000 0.446 437 R N 0.416 120.840 120.500 -0.127 0.000 2.096 437 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 437 R C 2.248 178.486 176.300 -0.104 0.000 1.139 437 R CA 2.031 58.063 56.100 -0.113 0.000 0.952 437 R CB -0.543 29.692 30.300 -0.108 0.000 0.854 437 R HN 0.469 nan 8.270 nan 0.000 0.436 438 A N 0.554 123.256 122.820 -0.197 0.000 1.933 438 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 438 A C 2.372 179.900 177.584 -0.094 0.000 1.175 438 A CA 1.632 53.610 52.037 -0.098 0.000 0.628 438 A CB -0.743 18.124 19.000 -0.222 0.000 0.814 438 A HN 0.588 nan 8.150 nan 0.000 0.444 439 A N -0.218 122.530 122.820 -0.119 0.000 1.898 439 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 439 A C 1.939 179.467 177.584 -0.093 0.000 1.181 439 A CA 1.520 53.496 52.037 -0.101 0.000 0.620 439 A CB -0.478 18.466 19.000 -0.093 0.000 0.819 439 A HN 0.617 nan 8.150 nan 0.000 0.442 440 E N -0.959 119.186 120.200 -0.090 0.000 2.072 440 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 440 E C 2.061 178.597 176.600 -0.106 0.000 0.985 440 E CA 1.325 57.667 56.400 -0.098 0.000 0.801 440 E CB -0.253 29.392 29.700 -0.091 0.000 0.750 440 E HN 0.745 nan 8.360 nan 0.000 0.452 441 M N 0.747 120.305 119.600 -0.070 0.000 2.077 441 M HA -0.154 4.325 4.480 -0.000 0.000 0.261 441 M C 2.187 178.475 176.300 -0.021 0.000 1.070 441 M CA 1.367 56.627 55.300 -0.066 0.000 1.125 441 M CB 0.020 32.678 32.600 0.097 0.000 1.339 441 M HN 0.075 nan 8.290 nan 0.000 0.409 442 L N 0.060 121.322 121.223 0.064 0.000 2.079 442 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 442 L C 2.632 179.657 176.870 0.259 0.000 1.081 442 L CA 1.747 56.686 54.840 0.165 0.000 0.752 442 L CB -0.540 41.460 42.059 -0.098 0.000 0.896 442 L HN 0.518 nan 8.230 nan 0.000 0.433 443 S N -1.010 114.761 115.700 0.118 0.000 2.527 443 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 443 S C 1.966 176.739 174.600 0.287 0.000 0.985 443 S CA 0.391 58.736 58.200 0.242 0.000 0.921 443 S CB 0.003 63.154 63.200 -0.082 0.000 0.772 443 S HN 0.299 nan 8.310 nan 0.000 0.529 444 A N 0.893 123.702 122.820 -0.017 0.000 2.015 444 A HA 0.104 4.423 4.320 -0.000 0.000 0.219 444 A C 1.691 179.168 177.584 -0.178 0.000 1.163 444 A CA 0.727 52.658 52.037 -0.177 0.000 0.646 444 A CB -1.156 17.585 19.000 -0.431 0.000 0.806 444 A HN 0.758 nan 8.150 nan 0.000 0.448 445 W N -0.589 120.719 121.300 0.015 0.000 2.392 445 W HA -0.017 4.643 4.660 -0.000 0.000 0.279 445 W C 0.845 177.159 176.519 -0.341 0.000 1.225 445 W CA 0.954 58.213 57.345 -0.144 0.000 1.233 445 W CB -0.172 29.162 29.460 -0.209 0.000 1.122 445 W HN 0.388 nan 8.180 nan 0.000 0.561 446 H N -2.118 117.007 119.070 0.091 0.000 2.731 446 H HA 0.352 4.908 4.556 -0.000 0.000 0.368 446 H C -0.266 174.958 175.328 -0.173 0.000 1.168 446 H CA -0.898 55.043 56.048 -0.177 0.000 1.181 446 H CB 1.744 31.145 29.762 -0.602 0.000 1.743 446 H HN -0.407 nan 8.280 nan 0.000 0.547 447 S N 1.203 116.861 115.700 -0.071 0.000 2.562 447 S HA 0.305 4.775 4.470 -0.000 0.000 0.275 447 S C -1.318 173.176 174.600 -0.177 0.000 1.281 447 S CA -0.655 57.527 58.200 -0.030 0.000 1.045 447 S CB 0.251 63.446 63.200 -0.009 0.000 0.962 447 S HN 0.451 nan 8.310 nan 0.000 0.503 448 W N 2.348 123.650 121.300 0.003 0.000 2.632 448 W HA 0.366 5.025 4.660 -0.001 0.000 0.328 448 W C -0.038 176.438 176.519 -0.072 0.000 1.044 448 W CA -0.777 56.542 57.345 -0.044 0.000 1.225 448 W CB 0.761 30.162 29.460 -0.098 0.000 1.396 448 W HN 0.701 nan 8.180 nan 0.000 0.499 449 D N 0.805 121.283 120.400 0.130 0.000 2.449 449 D HA 0.148 4.788 4.640 -0.000 0.000 0.236 449 D C 1.661 177.961 176.300 0.000 0.000 1.149 449 D CA 1.166 55.203 54.000 0.062 0.000 0.878 449 D CB 1.206 42.064 40.800 0.095 0.000 1.198 449 D HN 0.553 nan 8.370 nan 0.000 0.446 450 G N 2.681 111.487 108.800 0.010 0.000 2.450 450 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 450 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 450 G C 1.289 176.162 174.900 -0.046 0.000 1.130 450 G CA 0.492 45.585 45.100 -0.012 0.000 0.760 450 G HN 0.479 nan 8.290 nan 0.000 0.557 451 M N 1.089 120.672 119.600 -0.027 0.000 2.446 451 M HA 0.112 4.591 4.480 -0.000 0.000 0.263 451 M C 2.736 178.949 176.300 -0.146 0.000 1.066 451 M CA 0.651 55.955 55.300 0.006 0.000 1.087 451 M CB -0.951 31.744 32.600 0.159 0.000 1.406 451 M HN 0.311 nan 8.290 nan 0.000 0.459 452 A N 0.022 122.526 122.820 -0.527 0.000 2.119 452 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 452 A C 1.273 178.648 177.584 -0.349 0.000 1.153 452 A CA 0.409 51.922 52.037 -0.873 0.000 0.692 452 A CB -0.348 17.979 19.000 -1.122 0.000 0.799 452 A HN 0.592 nan 8.150 nan 0.000 0.458 453 R N -1.820 118.554 120.500 -0.211 0.000 3.770 453 R HA -0.180 4.159 4.340 -0.000 0.000 0.305 453 R C 0.683 176.876 176.300 -0.179 0.000 1.184 453 R CA 0.768 56.788 56.100 -0.133 0.000 0.823 453 R CB -2.190 28.067 30.300 -0.071 0.000 1.285 453 R HN 0.481 nan 8.270 nan 0.000 0.499 454 I N 0.601 121.014 120.570 -0.262 0.000 2.163 454 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 454 I C 2.129 178.123 176.117 -0.204 0.000 1.081 454 I CA 1.686 62.785 61.300 -0.335 0.000 1.353 454 I CB -0.716 36.927 38.000 -0.595 0.000 1.054 454 I HN 0.185 nan 8.210 nan 0.000 0.407 455 E N 0.778 120.896 120.200 -0.137 0.000 2.118 455 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 455 E C 2.075 178.631 176.600 -0.075 0.000 0.992 455 E CA 1.258 57.606 56.400 -0.087 0.000 0.804 455 E CB -0.269 29.404 29.700 -0.046 0.000 0.741 455 E HN 0.496 nan 8.360 nan 0.000 0.458 456 E N 0.433 120.590 120.200 -0.071 0.000 2.051 456 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 456 E C 1.920 178.483 176.600 -0.061 0.000 0.991 456 E CA 1.079 57.447 56.400 -0.053 0.000 0.799 456 E CB 0.096 29.769 29.700 -0.045 0.000 0.748 456 E HN -0.027 nan 8.360 nan 0.000 0.449 457 R N 0.324 120.776 120.500 -0.080 0.000 2.092 457 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 457 R C 2.399 178.651 176.300 -0.081 0.000 1.119 457 R CA 0.931 56.987 56.100 -0.075 0.000 0.970 457 R CB -0.545 29.703 30.300 -0.086 0.000 0.864 457 R HN 0.282 nan 8.270 nan 0.000 0.440 458 L N -0.054 121.110 121.223 -0.099 0.000 2.056 458 L HA -0.141 4.198 4.340 -0.000 0.000 0.207 458 L C 2.380 179.194 176.870 -0.093 0.000 1.078 458 L CA 1.550 56.331 54.840 -0.097 0.000 0.749 458 L CB -0.446 41.548 42.059 -0.108 0.000 0.901 458 L HN 0.295 nan 8.230 nan 0.000 0.433 459 E N 0.199 120.349 120.200 -0.084 0.000 2.077 459 E HA -0.314 4.036 4.350 -0.000 0.000 0.193 459 E C 2.217 178.752 176.600 -0.108 0.000 0.989 459 E CA 1.460 57.803 56.400 -0.094 0.000 0.800 459 E CB -0.030 29.635 29.700 -0.057 0.000 0.746 459 E HN 0.440 nan 8.360 nan 0.000 0.452 460 Q N -0.001 119.754 119.800 -0.075 0.000 2.050 460 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 460 Q C 2.101 178.057 176.000 -0.072 0.000 0.980 460 Q CA 1.660 57.426 55.803 -0.062 0.000 0.840 460 Q CB -0.253 28.462 28.738 -0.038 0.000 0.898 460 Q HN 0.356 nan 8.270 nan 0.000 0.424 461 A N 1.155 123.932 122.820 -0.071 0.000 1.877 461 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 461 A C 2.103 179.631 177.584 -0.094 0.000 1.186 461 A CA 1.536 53.532 52.037 -0.068 0.000 0.620 461 A CB -0.551 18.414 19.000 -0.058 0.000 0.822 461 A HN 0.393 nan 8.150 nan 0.000 0.443 462 R N -0.817 119.608 120.500 -0.125 0.000 2.091 462 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 462 R C 2.458 178.614 176.300 -0.240 0.000 1.136 462 R CA 1.636 57.637 56.100 -0.166 0.000 0.959 462 R CB -0.287 29.903 30.300 -0.183 0.000 0.856 462 R HN 0.498 nan 8.270 nan 0.000 0.437 463 R N 0.227 120.554 120.500 -0.288 0.000 2.090 463 R HA -0.065 4.274 4.340 -0.000 0.000 0.228 463 R C 2.105 178.342 176.300 -0.105 0.000 1.110 463 R CA 0.900 56.761 56.100 -0.399 0.000 0.973 463 R CB 0.015 30.108 30.300 -0.345 0.000 0.869 463 R HN 0.175 nan 8.270 nan 0.000 0.440 464 E N 0.841 121.014 120.200 -0.044 0.000 2.072 464 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 464 E C 1.972 178.603 176.600 0.052 0.000 0.985 464 E CA 0.764 57.182 56.400 0.029 0.000 0.801 464 E CB -0.248 29.460 29.700 0.013 0.000 0.750 464 E HN 0.141 nan 8.360 nan 0.000 0.452 465 L N 1.204 122.427 121.223 -0.000 0.000 2.046 465 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 465 L C 2.174 179.087 176.870 0.071 0.000 1.077 465 L CA 1.614 56.469 54.840 0.026 0.000 0.747 465 L CB -0.648 41.392 42.059 -0.032 0.000 0.896 465 L HN -0.089 nan 8.230 nan 0.000 0.432 466 S N -0.406 115.303 115.700 0.016 0.000 2.359 466 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 466 S C 1.853 176.589 174.600 0.227 0.000 1.035 466 S CA 1.586 59.827 58.200 0.069 0.000 1.018 466 S CB -0.619 62.521 63.200 -0.100 0.000 0.876 466 S HN 0.468 nan 8.310 nan 0.000 0.448 467 L N 0.712 122.112 121.223 0.296 0.000 2.042 467 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 467 L C 1.873 178.840 176.870 0.162 0.000 1.076 467 L CA 1.686 56.690 54.840 0.273 0.000 0.749 467 L CB -0.633 41.560 42.059 0.224 0.000 0.893 467 L HN 0.300 nan 8.230 nan 0.000 0.432 468 F N -0.352 119.564 119.950 -0.055 0.000 2.451 468 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 468 F C 2.187 177.906 175.800 -0.136 0.000 1.101 468 F CA 0.830 58.691 58.000 -0.232 0.000 1.436 468 F CB -0.209 38.690 39.000 -0.169 0.000 1.074 468 F HN 0.247 nan 8.300 nan 0.000 0.553 469 Q N -0.293 119.471 119.800 -0.060 0.000 2.436 469 Q HA -0.150 4.189 4.340 -0.000 0.000 0.209 469 Q C 0.780 176.721 176.000 -0.099 0.000 0.965 469 Q CA 0.451 56.196 55.803 -0.096 0.000 0.910 469 Q CB -1.269 27.483 28.738 0.022 0.000 0.980 469 Q HN 0.570 nan 8.270 nan 0.000 0.491 470 H N 1.879 120.833 119.070 -0.193 0.000 3.058 470 H HA -0.105 4.451 4.556 -0.001 0.000 0.347 470 H C 0.990 176.158 175.328 -0.267 0.000 1.087 470 H CA 0.481 56.409 56.048 -0.200 0.000 1.375 470 H CB 0.673 30.326 29.762 -0.183 0.000 1.312 470 H HN 0.331 nan 8.280 nan 0.000 0.607 471 H N 2.815 121.491 119.070 -0.655 0.000 2.562 471 H HA -0.004 4.552 4.556 -0.000 0.000 0.272 471 H C -0.323 174.555 175.328 -0.751 0.000 1.019 471 H CA 0.305 55.914 56.048 -0.732 0.000 1.160 471 H CB 0.205 29.534 29.762 -0.722 0.000 1.334 471 H HN 0.591 nan 8.280 nan 0.000 0.611 472 D N 0.403 120.049 120.400 -1.257 0.000 2.503 472 D HA 0.123 4.763 4.640 -0.000 0.000 0.218 472 D C 1.557 177.788 176.300 -0.114 0.000 1.183 472 D CA 0.263 54.060 54.000 -0.338 0.000 0.827 472 D CB 0.895 41.728 40.800 0.054 0.000 1.034 472 D HN 0.529 nan 8.370 nan 0.000 0.510 473 G N 1.330 109.859 108.800 -0.452 0.000 2.600 473 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.225 473 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.225 473 G C 1.351 175.645 174.900 -1.010 0.000 1.623 473 G CA -0.208 44.380 45.100 -0.854 0.000 0.903 473 G HN 0.187 nan 8.290 nan 0.000 0.574 474 I N 1.982 121.681 120.570 -1.450 0.000 2.423 474 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 474 I C 2.936 178.952 176.117 -0.168 0.000 1.151 474 I CA 2.092 62.883 61.300 -0.847 0.000 1.421 474 I CB -0.051 37.621 38.000 -0.547 0.000 1.079 474 I HN 0.388 nan 8.210 nan 0.000 0.431 475 T N -1.616 112.885 114.554 -0.087 0.000 2.977 475 T HA -0.011 4.338 4.350 -0.000 0.000 0.271 475 T C 1.558 176.391 174.700 0.222 0.000 1.105 475 T CA 0.704 62.936 62.100 0.220 0.000 1.116 475 T CB -0.594 68.400 68.868 0.210 0.000 0.878 475 T HN 0.654 nan 8.240 nan 0.000 0.509 476 G N 1.354 110.240 108.800 0.144 0.000 2.176 476 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.252 476 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.252 476 G C 0.551 175.517 174.900 0.110 0.000 1.024 476 G CA 0.701 45.910 45.100 0.182 0.000 0.755 476 G HN 1.217 nan 8.290 nan 0.000 0.507 477 T N -3.489 111.116 114.554 0.085 0.000 3.215 477 T HA 0.748 5.098 4.350 -0.000 0.000 0.271 477 T C 0.808 175.684 174.700 0.292 0.000 1.012 477 T CA 1.032 63.116 62.100 -0.026 0.000 0.899 477 T CB 0.956 69.594 68.868 -0.383 0.000 1.089 477 T HN 1.574 nan 8.240 nan 0.000 0.552 478 A N 1.268 124.279 122.820 0.319 0.000 2.269 478 A HA 0.719 5.039 4.320 -0.000 0.000 0.327 478 A C 0.123 177.809 177.584 0.171 0.000 1.112 478 A CA -0.982 51.282 52.037 0.378 0.000 0.865 478 A CB 0.937 20.194 19.000 0.428 0.000 1.227 478 A HN 0.408 nan 8.150 nan 0.000 0.498 479 K N -0.173 120.264 120.400 0.062 0.000 2.276 479 K HA 0.166 4.486 4.320 -0.000 0.000 0.259 479 K C 1.075 177.686 176.600 0.018 0.000 1.001 479 K CA 0.329 56.629 56.287 0.021 0.000 0.927 479 K CB 0.363 32.868 32.500 0.009 0.000 0.969 479 K HN 0.730 nan 8.250 nan 0.000 0.490 480 T N 1.419 116.014 114.554 0.068 0.000 2.624 480 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 480 T C 1.682 176.418 174.700 0.060 0.000 1.041 480 T CA 1.927 64.070 62.100 0.072 0.000 1.159 480 T CB -0.448 68.471 68.868 0.085 0.000 0.863 480 T HN 0.701 nan 8.240 nan 0.000 0.434 481 H N 0.587 119.654 119.070 -0.006 0.000 2.491 481 H HA 0.097 4.653 4.556 -0.000 0.000 0.290 481 H C 2.024 177.325 175.328 -0.044 0.000 1.050 481 H CA 0.886 56.923 56.048 -0.020 0.000 1.309 481 H CB -0.780 28.966 29.762 -0.026 0.000 1.392 481 H HN 0.288 nan 8.280 nan 0.000 0.554 482 V N 1.154 120.729 119.914 -0.564 0.000 2.407 482 V HA -0.167 3.952 4.120 -0.000 0.000 0.245 482 V C 3.040 178.943 176.094 -0.318 0.000 1.041 482 V CA 1.076 63.071 62.300 -0.509 0.000 1.040 482 V CB -0.481 31.088 31.823 -0.422 0.000 0.671 482 V HN 0.229 nan 8.190 nan 0.000 0.455 483 V N 0.106 119.969 119.914 -0.085 0.000 2.324 483 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 483 V C 2.469 178.534 176.094 -0.049 0.000 1.060 483 V CA 2.121 64.423 62.300 0.002 0.000 1.042 483 V CB -0.604 31.194 31.823 -0.042 0.000 0.650 483 V HN 0.417 nan 8.190 nan 0.000 0.450 484 V N 0.297 120.195 119.914 -0.026 0.000 2.343 484 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 484 V C 2.305 178.411 176.094 0.020 0.000 1.051 484 V CA 2.418 64.735 62.300 0.028 0.000 1.036 484 V CB -0.692 31.160 31.823 0.048 0.000 0.654 484 V HN 0.651 nan 8.190 nan 0.000 0.451 485 D N -0.920 119.449 120.400 -0.052 0.000 2.104 485 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 485 D C 2.013 178.319 176.300 0.010 0.000 0.994 485 D CA 1.737 55.703 54.000 -0.056 0.000 0.830 485 D CB -0.270 40.438 40.800 -0.153 0.000 0.959 485 D HN 0.591 nan 8.370 nan 0.000 0.452 486 Y N 0.451 120.788 120.300 0.063 0.000 2.165 486 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 486 Y C 2.593 178.467 175.900 -0.043 0.000 1.155 486 Y CA 1.204 59.336 58.100 0.053 0.000 1.164 486 Y CB -0.156 38.407 38.460 0.172 0.000 0.978 486 Y HN 0.102 nan 8.280 nan 0.000 0.513 487 E N 0.468 120.761 120.200 0.155 0.000 2.077 487 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 487 E C 2.017 178.694 176.600 0.129 0.000 0.989 487 E CA 1.330 57.840 56.400 0.183 0.000 0.800 487 E CB -0.059 29.833 29.700 0.320 0.000 0.746 487 E HN 0.563 nan 8.360 nan 0.000 0.452 488 Q N -0.050 119.814 119.800 0.106 0.000 2.084 488 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 488 Q C 2.334 178.374 176.000 0.067 0.000 0.978 488 Q CA 1.379 57.231 55.803 0.081 0.000 0.844 488 Q CB -0.067 28.709 28.738 0.065 0.000 0.898 488 Q HN 0.197 nan 8.270 nan 0.000 0.426 489 R N 0.045 120.588 120.500 0.072 0.000 2.081 489 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 489 R C 2.259 178.577 176.300 0.031 0.000 1.131 489 R CA 1.473 57.609 56.100 0.060 0.000 0.960 489 R CB -0.172 30.187 30.300 0.098 0.000 0.856 489 R HN 0.301 nan 8.270 nan 0.000 0.436 490 M N 0.203 119.807 119.600 0.007 0.000 2.229 490 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 490 M C 2.180 178.468 176.300 -0.019 0.000 1.063 490 M CA 1.321 56.589 55.300 -0.052 0.000 1.114 490 M CB -0.113 32.388 32.600 -0.164 0.000 1.387 490 M HN 0.127 nan 8.290 nan 0.000 0.420 491 Q N 0.371 120.193 119.800 0.037 0.000 2.084 491 Q HA -0.156 4.183 4.340 -0.000 0.000 0.202 491 Q C 1.901 177.928 176.000 0.044 0.000 0.978 491 Q CA 1.273 57.115 55.803 0.065 0.000 0.844 491 Q CB -0.260 28.534 28.738 0.094 0.000 0.898 491 Q HN 0.483 nan 8.270 nan 0.000 0.426 492 E N 0.600 120.820 120.200 0.034 0.000 2.077 492 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 492 E C 1.892 178.500 176.600 0.014 0.000 0.989 492 E CA 1.099 57.514 56.400 0.024 0.000 0.800 492 E CB -0.275 29.438 29.700 0.022 0.000 0.746 492 E HN 0.318 nan 8.360 nan 0.000 0.452 493 A N 1.145 123.966 122.820 0.002 0.000 1.902 493 A HA -0.135 4.184 4.320 -0.000 0.000 0.217 493 A C 2.416 180.002 177.584 0.004 0.000 1.181 493 A CA 1.100 53.130 52.037 -0.012 0.000 0.623 493 A CB -0.725 18.255 19.000 -0.033 0.000 0.818 493 A HN 0.188 nan 8.150 nan 0.000 0.443 494 L N -0.684 120.543 121.223 0.007 0.000 2.046 494 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 494 L C 2.601 179.530 176.870 0.098 0.000 1.077 494 L CA 1.775 56.647 54.840 0.053 0.000 0.747 494 L CB -0.403 41.661 42.059 0.008 0.000 0.896 494 L HN 0.366 nan 8.230 nan 0.000 0.432 495 K N -0.161 120.277 120.400 0.063 0.000 2.097 495 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 495 K C 2.238 178.859 176.600 0.035 0.000 1.050 495 K CA 1.247 57.566 56.287 0.054 0.000 0.938 495 K CB -0.245 32.277 32.500 0.036 0.000 0.718 495 K HN 0.286 nan 8.250 nan 0.000 0.442 496 A N 1.252 124.083 122.820 0.018 0.000 1.877 496 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 496 A C 2.458 180.037 177.584 -0.009 0.000 1.186 496 A CA 1.575 53.609 52.037 -0.006 0.000 0.620 496 A CB -1.054 17.934 19.000 -0.021 0.000 0.822 496 A HN 0.409 nan 8.150 nan 0.000 0.443 497 C N -0.986 118.323 119.300 0.015 0.000 2.413 497 C HA -0.141 4.319 4.460 -0.000 0.000 0.276 497 C C 2.889 177.886 174.990 0.011 0.000 1.236 497 C CA 1.309 60.334 59.018 0.011 0.000 1.735 497 C CB -1.338 26.444 27.740 0.071 0.000 2.031 497 C HN 0.798 nan 8.230 nan 0.000 0.474 498 Q N 0.195 120.028 119.800 0.054 0.000 2.096 498 Q HA -0.283 4.056 4.340 -0.000 0.000 0.204 498 Q C 2.155 178.196 176.000 0.068 0.000 0.982 498 Q CA 2.069 57.907 55.803 0.058 0.000 0.850 498 Q CB -0.274 28.513 28.738 0.083 0.000 0.901 498 Q HN 0.594 nan 8.270 nan 0.000 0.422 499 M N -0.152 119.470 119.600 0.036 0.000 2.080 499 M HA -0.141 4.338 4.480 -0.000 0.000 0.260 499 M C 1.868 178.170 176.300 0.005 0.000 1.068 499 M CA 1.590 56.906 55.300 0.027 0.000 1.109 499 M CB -0.469 32.131 32.600 0.001 0.000 1.342 499 M HN 0.139 nan 8.290 nan 0.000 0.405 500 V N 0.131 120.011 119.914 -0.056 0.000 2.343 500 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 500 V C 2.434 178.473 176.094 -0.091 0.000 1.051 500 V CA 2.167 64.378 62.300 -0.148 0.000 1.036 500 V CB -0.710 31.004 31.823 -0.182 0.000 0.654 500 V HN 0.556 nan 8.190 nan 0.000 0.451 501 M N 0.192 119.786 119.600 -0.010 0.000 2.086 501 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 501 M C 2.382 178.712 176.300 0.051 0.000 1.067 501 M CA 2.325 57.650 55.300 0.043 0.000 1.116 501 M CB -0.407 32.297 32.600 0.174 0.000 1.348 501 M HN 0.544 nan 8.290 nan 0.000 0.407 502 Q N -0.289 119.621 119.800 0.183 0.000 2.123 502 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 502 Q C 1.817 177.978 176.000 0.268 0.000 0.966 502 Q CA 1.136 57.075 55.803 0.226 0.000 0.845 502 Q CB -0.643 28.335 28.738 0.400 0.000 0.907 502 Q HN 0.393 nan 8.270 nan 0.000 0.439 503 Q N 0.596 120.540 119.800 0.241 0.000 2.135 503 Q HA -0.081 4.258 4.340 -0.000 0.000 0.204 503 Q C 2.266 178.502 176.000 0.394 0.000 0.981 503 Q CA 1.760 57.774 55.803 0.351 0.000 0.856 503 Q CB -0.234 28.622 28.738 0.196 0.000 0.902 503 Q HN 0.513 nan 8.270 nan 0.000 0.425 504 S N 0.289 116.112 115.700 0.205 0.000 2.368 504 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 504 S C 2.220 176.868 174.600 0.080 0.000 1.029 504 S CA 0.997 59.371 58.200 0.289 0.000 0.988 504 S CB -0.204 63.093 63.200 0.162 0.000 0.838 504 S HN 0.132 nan 8.310 nan 0.000 0.462 505 V N 0.725 120.556 119.914 -0.139 0.000 2.287 505 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 505 V C 2.000 178.082 176.094 -0.020 0.000 1.053 505 V CA 1.868 63.969 62.300 -0.332 0.000 1.027 505 V CB -0.760 30.459 31.823 -1.008 0.000 0.646 505 V HN 0.512 nan 8.190 nan 0.000 0.447 506 Y N 0.987 121.342 120.300 0.091 0.000 2.181 506 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 506 Y C 2.760 178.727 175.900 0.111 0.000 1.146 506 Y CA 2.156 60.386 58.100 0.216 0.000 1.164 506 Y CB -0.293 38.212 38.460 0.075 0.000 0.982 506 Y HN 0.087 nan 8.280 nan 0.000 0.515 507 R N -0.253 120.219 120.500 -0.047 0.000 2.092 507 R HA -0.111 4.228 4.340 -0.000 0.000 0.231 507 R C 2.121 178.141 176.300 -0.468 0.000 1.119 507 R CA 1.541 57.262 56.100 -0.632 0.000 0.970 507 R CB -0.380 29.502 30.300 -0.697 0.000 0.864 507 R HN 0.415 nan 8.270 nan 0.000 0.440 508 L N 0.252 121.330 121.223 -0.241 0.000 2.291 508 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 508 L C 1.402 178.152 176.870 -0.200 0.000 1.120 508 L CA 0.802 55.457 54.840 -0.308 0.000 0.799 508 L CB 0.122 41.837 42.059 -0.573 0.000 0.925 508 L HN 0.237 nan 8.230 nan 0.000 0.446 509 L N -1.350 119.847 121.223 -0.044 0.000 3.014 509 L HA 0.223 4.563 4.340 -0.000 0.000 0.263 509 L C -0.206 176.708 176.870 0.074 0.000 1.207 509 L CA -0.108 54.787 54.840 0.090 0.000 1.017 509 L CB 0.573 42.829 42.059 0.329 0.000 1.360 509 L HN -0.014 nan 8.230 nan 0.000 0.560 510 T N 0.096 114.614 114.554 -0.059 0.000 2.829 510 T HA 0.186 4.536 4.350 -0.000 0.000 0.280 510 T C -0.141 174.477 174.700 -0.137 0.000 0.999 510 T CA -0.563 61.477 62.100 -0.100 0.000 0.983 510 T CB 2.386 71.141 68.868 -0.188 0.000 0.968 510 T HN 0.011 nan 8.240 nan 0.000 0.446 511 K N 3.791 124.121 120.400 -0.115 0.000 2.504 511 K HA -0.016 4.303 4.320 -0.000 0.000 0.278 511 K C -1.756 174.811 176.600 -0.054 0.000 1.025 511 K CA -1.032 55.203 56.287 -0.086 0.000 1.093 511 K CB 0.424 32.879 32.500 -0.075 0.000 0.873 511 K HN 0.176 nan 8.250 nan 0.000 0.483 512 P HA -0.192 nan 4.420 nan 0.000 0.216 512 P C 0.790 178.104 177.300 0.024 0.000 1.150 512 P CA 1.460 64.539 63.100 -0.035 0.000 0.837 512 P CB 0.181 31.853 31.700 -0.046 0.000 0.786 513 S N -2.238 113.466 115.700 0.007 0.000 2.607 513 S HA 0.047 4.517 4.470 -0.000 0.000 0.224 513 S C 1.651 176.261 174.600 0.017 0.000 0.969 513 S CA 0.502 58.709 58.200 0.012 0.000 0.927 513 S CB -1.113 62.086 63.200 -0.002 0.000 0.772 513 S HN 0.102 nan 8.310 nan 0.000 0.533 514 I N -0.756 119.829 120.570 0.025 0.000 3.339 514 I HA 0.199 4.368 4.170 -0.000 0.000 0.285 514 I C 0.675 176.827 176.117 0.058 0.000 1.201 514 I CA -0.369 60.949 61.300 0.030 0.000 1.434 514 I CB -0.114 37.896 38.000 0.017 0.000 1.152 514 I HN 0.259 nan 8.210 nan 0.000 0.443 515 Y N 2.737 122.985 120.300 -0.087 0.000 2.865 515 Y HA -0.068 4.482 4.550 -0.000 0.000 0.338 515 Y C 0.484 176.354 175.900 -0.050 0.000 1.269 515 Y CA 0.090 58.117 58.100 -0.121 0.000 1.585 515 Y CB 0.405 38.755 38.460 -0.183 0.000 1.224 515 Y HN -0.116 nan 8.280 nan 0.000 0.554 516 S N 8.735 124.195 115.700 -0.400 0.000 2.317 516 S HA 0.346 4.816 4.470 -0.000 0.000 0.144 516 S C -2.857 171.518 174.600 -0.374 0.000 1.660 516 S CA -1.182 56.811 58.200 -0.344 0.000 1.273 516 S CB -0.078 63.046 63.200 -0.127 0.000 1.330 516 S HN 0.646 nan 8.310 nan 0.000 0.395 517 P HA 0.331 nan 4.420 nan 0.000 0.279 517 P C -1.127 175.893 177.300 -0.466 0.000 1.239 517 P CA -0.210 62.605 63.100 -0.474 0.000 0.789 517 P CB 0.849 32.179 31.700 -0.616 0.000 0.933 518 D N 2.110 122.415 120.400 -0.159 0.000 2.427 518 D HA 0.164 4.804 4.640 -0.000 0.000 0.226 518 D C 0.211 176.516 176.300 0.008 0.000 1.076 518 D CA -0.681 53.222 54.000 -0.161 0.000 0.849 518 D CB 0.114 40.849 40.800 -0.109 0.000 1.052 518 D HN 0.042 nan 8.370 nan 0.000 0.515 519 F N 1.591 121.643 119.950 0.169 0.000 2.771 519 F HA -0.042 4.484 4.527 -0.000 0.000 0.299 519 F C 2.446 178.312 175.800 0.110 0.000 1.177 519 F CA 0.470 58.571 58.000 0.168 0.000 1.450 519 F CB -0.403 38.678 39.000 0.136 0.000 1.114 519 F HN 0.367 nan 8.300 nan 0.000 0.587 520 S N -1.636 114.195 115.700 0.219 0.000 2.535 520 S HA 0.086 4.556 4.470 -0.000 0.000 0.214 520 S C 0.392 175.036 174.600 0.073 0.000 0.980 520 S CA -0.378 57.897 58.200 0.125 0.000 0.907 520 S CB -0.629 62.624 63.200 0.089 0.000 0.790 520 S HN 0.106 nan 8.310 nan 0.000 0.510 521 F N 2.810 122.686 119.950 -0.124 0.000 2.371 521 F HA 0.589 5.116 4.527 -0.000 0.000 0.329 521 F C -0.053 175.520 175.800 -0.378 0.000 1.107 521 F CA -0.682 57.113 58.000 -0.343 0.000 1.137 521 F CB 1.585 40.219 39.000 -0.612 0.000 1.214 521 F HN -0.060 nan 8.300 nan 0.000 0.536 522 S N 5.717 120.704 115.700 -1.188 0.000 2.464 522 S HA 0.158 4.627 4.470 -0.000 0.000 0.313 522 S C 0.377 174.356 174.600 -1.036 0.000 1.078 522 S CA -0.360 57.360 58.200 -0.801 0.000 1.096 522 S CB -0.185 62.675 63.200 -0.567 0.000 1.032 522 S HN 0.669 nan 8.310 nan 0.000 0.498 523 Y N 1.590 121.636 120.300 -0.424 0.000 2.293 523 Y HA 0.094 4.644 4.550 -0.000 0.000 0.291 523 Y C 0.375 175.706 175.900 -0.948 0.000 1.137 523 Y CA 0.846 58.550 58.100 -0.659 0.000 1.202 523 Y CB 0.114 38.151 38.460 -0.705 0.000 0.990 523 Y HN 0.488 nan 8.280 nan 0.000 0.537 524 F N -1.295 118.599 119.950 -0.093 0.000 2.588 524 F HA 0.441 4.968 4.527 -0.000 0.000 0.314 524 F C -0.024 175.796 175.800 0.035 0.000 1.069 524 F CA -1.556 56.459 58.000 0.026 0.000 0.931 524 F CB 1.559 40.717 39.000 0.263 0.000 1.260 524 F HN -0.404 nan 8.300 nan 0.000 0.465 525 T N 0.158 114.860 114.554 0.246 0.000 2.855 525 T HA 0.704 5.054 4.350 -0.000 0.000 0.281 525 T C -0.565 174.241 174.700 0.176 0.000 1.007 525 T CA -0.812 61.383 62.100 0.158 0.000 1.009 525 T CB 1.192 70.100 68.868 0.066 0.000 0.983 525 T HN 0.521 nan 8.240 nan 0.000 0.455 526 L N 1.891 123.147 121.223 0.054 0.000 2.417 526 L HA 0.425 4.764 4.340 -0.000 0.000 0.268 526 L C 0.048 176.908 176.870 -0.017 0.000 1.158 526 L CA -0.278 54.497 54.840 -0.107 0.000 0.819 526 L CB 0.795 42.762 42.059 -0.154 0.000 1.112 526 L HN 0.830 nan 8.230 nan 0.000 0.458 527 D N 1.386 121.756 120.400 -0.051 0.000 2.549 527 D HA 0.198 4.838 4.640 -0.000 0.000 0.251 527 D C -1.268 174.969 176.300 -0.105 0.000 1.153 527 D CA -0.403 53.569 54.000 -0.048 0.000 0.861 527 D CB 1.101 41.902 40.800 0.001 0.000 1.207 527 D HN 0.265 nan 8.370 nan 0.000 0.543 528 D N 2.444 122.807 120.400 -0.062 0.000 2.471 528 D HA 0.196 4.836 4.640 -0.000 0.000 0.245 528 D C 0.127 176.375 176.300 -0.087 0.000 1.116 528 D CA -0.443 53.545 54.000 -0.019 0.000 0.853 528 D CB 1.826 42.708 40.800 0.137 0.000 1.123 528 D HN 0.245 nan 8.370 nan 0.000 0.540 529 S N 2.698 118.319 115.700 -0.131 0.000 2.522 529 S HA 0.026 4.496 4.470 -0.000 0.000 0.227 529 S C 1.345 175.900 174.600 -0.075 0.000 0.986 529 S CA 0.521 58.632 58.200 -0.148 0.000 0.929 529 S CB 0.380 63.483 63.200 -0.161 0.000 0.769 529 S HN 0.493 nan 8.310 nan 0.000 0.529 530 R N -0.598 119.887 120.500 -0.026 0.000 2.549 530 R HA 0.220 4.559 4.340 -0.000 0.000 0.344 530 R C -0.721 175.627 176.300 0.081 0.000 0.979 530 R CA -0.107 55.997 56.100 0.007 0.000 1.140 530 R CB 0.797 31.101 30.300 0.006 0.000 1.377 530 R HN 0.330 nan 8.270 nan 0.000 0.541 531 W N 1.444 122.673 121.300 -0.118 0.000 3.211 531 W HA 0.290 4.950 4.660 -0.000 0.000 0.335 531 W C -2.922 173.531 176.519 -0.109 0.000 1.113 531 W CA -1.964 55.292 57.345 -0.148 0.000 1.235 531 W CB 1.822 31.153 29.460 -0.216 0.000 1.365 531 W HN -0.187 nan 8.180 nan 0.000 0.476 532 P HA 0.096 nan 4.420 nan 0.000 0.226 532 P C 0.385 177.298 177.300 -0.646 0.000 1.153 532 P CA 1.711 63.934 63.100 -1.461 0.000 0.777 532 P CB 0.337 31.421 31.700 -1.026 0.000 0.794 533 G N -1.034 107.563 108.800 -0.338 0.000 2.587 533 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 533 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 533 G C -0.491 174.343 174.900 -0.109 0.000 1.236 533 G CA -0.467 44.532 45.100 -0.167 0.000 0.820 533 G HN 0.098 nan 8.290 nan 0.000 0.645 534 S N 0.253 115.933 115.700 -0.034 0.000 2.515 534 S HA 0.518 4.988 4.470 -0.000 0.000 0.285 534 S C 1.812 176.410 174.600 -0.004 0.000 1.265 534 S CA 1.973 60.188 58.200 0.026 0.000 1.079 534 S CB 0.134 63.393 63.200 0.099 0.000 0.877 534 S HN 2.726 nan 8.310 nan 0.000 0.493 535 G N 2.855 111.647 108.800 -0.014 0.000 2.195 535 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 535 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 535 G C 0.565 175.422 174.900 -0.071 0.000 0.984 535 G CA 0.250 45.326 45.100 -0.040 0.000 0.633 535 G HN 0.893 nan 8.290 nan 0.000 0.525 536 V N -0.333 119.525 119.914 -0.093 0.000 2.743 536 V HA 0.444 4.564 4.120 -0.000 0.000 0.237 536 V C 0.827 176.847 176.094 -0.124 0.000 1.113 536 V CA 1.763 63.991 62.300 -0.120 0.000 1.141 536 V CB 0.968 32.686 31.823 -0.175 0.000 0.873 536 V HN 0.448 nan 8.190 nan 0.000 0.486 537 E N 0.009 120.129 120.200 -0.134 0.000 2.308 537 E HA 0.228 4.578 4.350 -0.000 0.000 0.275 537 E C -1.755 174.805 176.600 -0.066 0.000 0.890 537 E CA -0.538 55.797 56.400 -0.108 0.000 0.754 537 E CB 1.886 31.495 29.700 -0.152 0.000 1.207 537 E HN 0.134 nan 8.360 nan 0.000 0.426 538 D N 2.330 122.712 120.400 -0.029 0.000 2.494 538 D HA 0.121 4.760 4.640 -0.000 0.000 0.217 538 D C 0.246 176.552 176.300 0.010 0.000 1.153 538 D CA 0.146 54.153 54.000 0.011 0.000 0.954 538 D CB 0.550 41.364 40.800 0.022 0.000 1.034 538 D HN 0.385 nan 8.370 nan 0.000 0.518 539 S N 2.206 117.906 115.700 -0.000 0.000 2.549 539 S HA 0.221 4.691 4.470 -0.000 0.000 0.225 539 S C 0.904 175.508 174.600 0.006 0.000 1.039 539 S CA -0.429 57.764 58.200 -0.010 0.000 0.942 539 S CB 0.615 63.788 63.200 -0.045 0.000 0.881 539 S HN 0.189 nan 8.310 nan 0.000 0.503 540 R N 2.698 123.207 120.500 0.014 0.000 2.410 540 R HA 0.448 4.788 4.340 -0.000 0.000 0.288 540 R C 0.002 176.348 176.300 0.077 0.000 1.051 540 R CA 0.088 56.182 56.100 -0.011 0.000 1.021 540 R CB 0.929 31.112 30.300 -0.195 0.000 1.032 540 R HN 0.423 nan 8.270 nan 0.000 0.481 541 T N -0.506 114.090 114.554 0.071 0.000 2.856 541 T HA 0.170 4.519 4.350 -0.000 0.000 0.292 541 T C 0.237 175.044 174.700 0.178 0.000 0.980 541 T CA -0.677 61.489 62.100 0.110 0.000 1.091 541 T CB 1.254 70.174 68.868 0.086 0.000 0.936 541 T HN 0.369 nan 8.240 nan 0.000 0.503 542 T N 4.680 119.350 114.554 0.193 0.000 2.832 542 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 542 T C 0.559 175.367 174.700 0.179 0.000 0.968 542 T CA -0.428 61.806 62.100 0.223 0.000 1.107 542 T CB 0.058 69.019 68.868 0.156 0.000 0.916 542 T HN 0.591 nan 8.240 nan 0.000 0.517 543 I N 4.493 125.186 120.570 0.206 0.000 2.421 543 I HA 0.128 4.297 4.170 -0.000 0.000 0.291 543 I C 0.159 176.363 176.117 0.146 0.000 1.089 543 I CA -0.238 61.163 61.300 0.168 0.000 1.354 543 I CB 0.267 38.370 38.000 0.172 0.000 1.413 543 I HN 0.363 nan 8.210 nan 0.000 0.513 544 I N 8.385 129.026 120.570 0.119 0.000 2.291 544 I HA 0.344 4.513 4.170 -0.000 0.000 0.290 544 I C 0.015 176.193 176.117 0.102 0.000 1.050 544 I CA -0.108 61.253 61.300 0.101 0.000 1.245 544 I CB 0.294 38.341 38.000 0.079 0.000 1.405 544 I HN 0.424 nan 8.210 nan 0.000 0.478 545 L N 5.291 126.578 121.223 0.107 0.000 2.333 545 L HA 0.980 5.320 4.340 -0.000 0.000 0.269 545 L C 0.260 177.187 176.870 0.095 0.000 1.010 545 L CA -0.602 54.300 54.840 0.104 0.000 0.818 545 L CB 2.399 44.526 42.059 0.114 0.000 1.306 545 L HN 0.697 nan 8.230 nan 0.000 0.430 546 G N 0.039 108.892 108.800 0.088 0.000 2.404 546 G HA2 0.095 4.055 3.960 -0.000 0.000 0.298 546 G HA3 0.095 4.055 3.960 -0.000 0.000 0.298 546 G C -0.199 174.744 174.900 0.071 0.000 1.577 546 G CA -0.434 44.715 45.100 0.080 0.000 0.847 546 G HN 0.697 nan 8.290 nan 0.000 0.598 547 E N -0.270 119.970 120.200 0.066 0.000 2.160 547 E HA -0.141 4.208 4.350 -0.000 0.000 0.195 547 E C 0.587 177.216 176.600 0.048 0.000 0.991 547 E CA 1.453 57.887 56.400 0.055 0.000 0.810 547 E CB 0.122 29.852 29.700 0.049 0.000 0.742 547 E HN 0.426 nan 8.360 nan 0.000 0.466 548 D N -0.209 120.219 120.400 0.047 0.000 2.388 548 D HA 0.130 4.770 4.640 -0.000 0.000 0.221 548 D C 1.094 177.420 176.300 0.043 0.000 1.133 548 D CA 0.101 54.126 54.000 0.041 0.000 0.831 548 D CB 0.897 41.718 40.800 0.036 0.000 0.962 548 D HN 0.334 nan 8.370 nan 0.000 0.502 549 I N -0.898 119.703 120.570 0.051 0.000 4.147 549 I HA 0.119 4.289 4.170 -0.000 0.000 0.278 549 I C -1.408 174.746 176.117 0.062 0.000 1.133 549 I CA 0.052 61.383 61.300 0.053 0.000 1.317 549 I CB 1.258 39.290 38.000 0.053 0.000 1.688 549 I HN -0.164 nan 8.210 nan 0.000 0.432 550 L N 1.740 123.005 121.223 0.071 0.000 2.795 550 L HA 0.472 4.811 4.340 -0.000 0.000 0.260 550 L C -2.585 174.338 176.870 0.089 0.000 0.935 550 L CA -0.850 54.041 54.840 0.084 0.000 0.985 550 L CB 1.586 43.702 42.059 0.095 0.000 1.433 550 L HN -0.173 nan 8.230 nan 0.000 0.447 551 P HA 0.112 nan 4.420 nan 0.000 0.224 551 P C -0.332 177.026 177.300 0.096 0.000 1.157 551 P CA 0.832 63.983 63.100 0.085 0.000 0.799 551 P CB 0.344 32.088 31.700 0.073 0.000 0.809 552 S N -2.362 113.407 115.700 0.114 0.000 2.596 552 S HA 0.735 5.205 4.470 -0.000 0.000 0.270 552 S C -1.327 173.380 174.600 0.179 0.000 1.155 552 S CA -0.735 57.541 58.200 0.126 0.000 0.827 552 S CB 2.409 65.677 63.200 0.113 0.000 1.130 552 S HN -0.146 nan 8.310 nan 0.000 0.467 553 K N 0.695 121.208 120.400 0.188 0.000 2.535 553 K HA 0.409 4.729 4.320 -0.000 0.000 0.251 553 K C -1.647 175.125 176.600 0.285 0.000 0.942 553 K CA -0.273 56.171 56.287 0.261 0.000 0.798 553 K CB 1.090 33.703 32.500 0.188 0.000 1.267 553 K HN 0.867 nan 8.250 nan 0.000 0.434 554 H N 2.217 121.433 119.070 0.243 0.000 2.610 554 H HA 0.389 4.945 4.556 -0.000 0.000 0.336 554 H C -0.083 175.471 175.328 0.376 0.000 1.087 554 H CA -0.339 55.898 56.048 0.314 0.000 1.405 554 H CB 1.233 31.267 29.762 0.453 0.000 1.460 554 H HN 0.459 nan 8.280 nan 0.000 0.538 555 V N 1.003 121.159 119.914 0.402 0.000 2.914 555 V HA 0.655 4.775 4.120 -0.000 0.000 0.314 555 V C -0.488 175.923 176.094 0.529 0.000 1.084 555 V CA -0.811 61.725 62.300 0.393 0.000 0.963 555 V CB 2.004 33.808 31.823 -0.033 0.000 1.025 555 V HN 0.411 nan 8.190 nan 0.000 0.432 556 V N 3.952 124.199 119.914 0.554 0.000 2.638 556 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 556 V C -0.462 175.965 176.094 0.555 0.000 1.052 556 V CA -0.372 62.219 62.300 0.486 0.000 0.885 556 V CB 1.818 33.785 31.823 0.239 0.000 0.999 556 V HN 0.943 nan 8.190 nan 0.000 0.424 557 M N 4.048 123.948 119.600 0.500 0.000 2.404 557 M HA 0.492 4.972 4.480 -0.000 0.000 0.338 557 M C -0.463 176.090 176.300 0.421 0.000 1.150 557 M CA -0.268 55.299 55.300 0.444 0.000 1.016 557 M CB 1.140 33.949 32.600 0.348 0.000 1.672 557 M HN 0.747 nan 8.290 nan 0.000 0.448 558 H N 1.906 121.171 119.070 0.326 0.000 2.469 558 H HA 0.466 5.022 4.556 -0.000 0.000 0.342 558 H C -1.308 174.133 175.328 0.189 0.000 1.115 558 H CA -0.562 55.644 56.048 0.262 0.000 1.204 558 H CB 1.172 31.138 29.762 0.340 0.000 1.492 558 H HN 0.650 nan 8.280 nan 0.000 0.499 559 N N 3.098 121.566 118.700 -0.387 0.000 2.564 559 N HA 0.036 4.775 4.740 -0.000 0.000 0.248 559 N C 0.341 175.520 175.510 -0.552 0.000 0.986 559 N CA -0.292 52.539 53.050 -0.364 0.000 0.921 559 N CB 1.491 39.872 38.487 -0.177 0.000 1.136 559 N HN 0.625 nan 8.380 nan 0.000 0.509 560 T N 2.856 117.135 114.554 -0.459 0.000 3.072 560 T HA 0.161 4.510 4.350 -0.000 0.000 0.266 560 T C 0.680 175.344 174.700 -0.060 0.000 1.127 560 T CA 0.481 62.476 62.100 -0.175 0.000 1.107 560 T CB -0.240 68.673 68.868 0.075 0.000 0.910 560 T HN 0.417 nan 8.240 nan 0.000 0.513 561 L N 2.793 123.931 121.223 -0.142 0.000 2.417 561 L HA 0.311 4.651 4.340 -0.000 0.000 0.268 561 L C -1.624 175.109 176.870 -0.228 0.000 1.158 561 L CA -1.923 52.799 54.840 -0.196 0.000 0.819 561 L CB 0.638 42.450 42.059 -0.412 0.000 1.112 561 L HN -0.045 nan 8.230 nan 0.000 0.458 562 P HA 0.055 nan 4.420 nan 0.000 0.235 562 P C -0.982 176.341 177.300 0.037 0.000 1.725 562 P CA 0.300 63.393 63.100 -0.012 0.000 0.894 562 P CB -0.364 31.383 31.700 0.078 0.000 1.704 563 H N -3.098 115.989 119.070 0.028 0.000 3.012 563 H HA 0.246 4.801 4.556 -0.000 0.000 0.367 563 H C -0.966 174.388 175.328 0.043 0.000 1.211 563 H CA -1.072 55.011 56.048 0.058 0.000 1.139 563 H CB 0.013 29.836 29.762 0.101 0.000 1.838 563 H HN -0.125 nan 8.280 nan 0.000 0.550 564 W N 1.651 123.062 121.300 0.185 0.000 2.231 564 W HA 0.215 4.874 4.660 -0.001 0.000 0.341 564 W C 0.909 177.535 176.519 0.177 0.000 1.298 564 W CA 0.447 57.867 57.345 0.125 0.000 1.266 564 W CB 0.432 29.951 29.460 0.099 0.000 1.172 564 W HN 0.507 nan 8.180 nan 0.000 0.568 565 R N 2.191 122.898 120.500 0.346 0.000 2.564 565 R HA 0.281 4.620 4.340 -0.000 0.000 0.284 565 R C -1.105 175.329 176.300 0.224 0.000 1.031 565 R CA -0.673 55.581 56.100 0.256 0.000 0.904 565 R CB 1.375 31.753 30.300 0.130 0.000 1.199 565 R HN 0.504 nan 8.270 nan 0.000 0.443 566 E N 2.473 122.782 120.200 0.180 0.000 2.191 566 E HA 0.251 4.601 4.350 -0.000 0.000 0.274 566 E C -1.196 175.451 176.600 0.080 0.000 0.948 566 E CA -0.743 55.738 56.400 0.136 0.000 0.802 566 E CB 2.349 32.121 29.700 0.120 0.000 1.137 566 E HN 0.387 nan 8.360 nan 0.000 0.397 567 Q N 2.959 122.784 119.800 0.041 0.000 2.353 567 Q HA 0.265 4.604 4.340 -0.000 0.000 0.275 567 Q C -1.451 174.510 176.000 -0.065 0.000 1.029 567 Q CA -0.616 55.184 55.803 -0.006 0.000 0.848 567 Q CB 1.471 30.198 28.738 -0.019 0.000 1.390 567 Q HN 0.547 nan 8.270 nan 0.000 0.401 568 L N 3.154 124.335 121.223 -0.071 0.000 2.456 568 L HA 0.343 4.682 4.340 -0.000 0.000 0.272 568 L C 0.186 176.927 176.870 -0.215 0.000 1.189 568 L CA -0.313 54.447 54.840 -0.134 0.000 0.846 568 L CB 0.566 42.582 42.059 -0.072 0.000 1.111 568 L HN 0.473 nan 8.230 nan 0.000 0.475 569 V N -0.603 119.081 119.914 -0.383 0.000 2.823 569 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 569 V C -0.946 174.885 176.094 -0.439 0.000 1.072 569 V CA -0.861 61.170 62.300 -0.450 0.000 0.937 569 V CB 2.141 33.645 31.823 -0.533 0.000 1.013 569 V HN 0.797 nan 8.190 nan 0.000 0.430 570 D N 1.903 122.047 120.400 -0.428 0.000 2.575 570 D HA 0.640 5.280 4.640 -0.000 0.000 0.236 570 D C -1.356 174.635 176.300 -0.515 0.000 1.075 570 D CA -0.426 53.423 54.000 -0.252 0.000 0.860 570 D CB 2.437 43.182 40.800 -0.090 0.000 1.475 570 D HN 0.447 nan 8.370 nan 0.000 0.474 571 F N -0.114 119.887 119.950 0.084 0.000 2.588 571 F HA 0.346 4.872 4.527 -0.000 0.000 0.314 571 F C -0.579 175.360 175.800 0.232 0.000 1.069 571 F CA -1.049 57.011 58.000 0.099 0.000 0.931 571 F CB 1.576 40.682 39.000 0.176 0.000 1.260 571 F HN 0.153 nan 8.300 nan 0.000 0.465 572 Y N 2.049 122.507 120.300 0.264 0.000 2.304 572 Y HA 0.573 5.123 4.550 -0.000 0.000 0.328 572 Y C 0.168 176.190 175.900 0.204 0.000 1.123 572 Y CA -1.528 56.679 58.100 0.177 0.000 1.218 572 Y CB 1.023 39.541 38.460 0.097 0.000 1.207 572 Y HN 0.351 nan 8.280 nan 0.000 0.495 573 V N -0.369 119.749 119.914 0.341 0.000 2.962 573 V HA 0.576 4.695 4.120 -0.000 0.000 0.313 573 V C 0.335 176.567 176.094 0.230 0.000 1.099 573 V CA -0.762 61.698 62.300 0.267 0.000 0.971 573 V CB 1.735 33.717 31.823 0.264 0.000 1.028 573 V HN 0.681 nan 8.190 nan 0.000 0.430 574 S N 0.389 116.203 115.700 0.189 0.000 2.593 574 S HA 0.270 4.740 4.470 -0.000 0.000 0.217 574 S C 0.645 175.380 174.600 0.226 0.000 0.966 574 S CA 0.458 58.756 58.200 0.162 0.000 0.914 574 S CB -0.253 63.013 63.200 0.111 0.000 0.776 574 S HN 1.406 nan 8.310 nan 0.000 0.523 575 S N 1.270 117.110 115.700 0.233 0.000 2.546 575 S HA 0.583 5.053 4.470 -0.000 0.000 0.274 575 S C -2.543 171.989 174.600 -0.114 0.000 1.121 575 S CA -1.411 56.825 58.200 0.059 0.000 0.887 575 S CB 1.950 65.181 63.200 0.052 0.000 1.094 575 S HN 0.022 nan 8.310 nan 0.000 0.474 576 P HA 0.155 nan 4.420 nan 0.000 0.231 576 P C 0.048 177.269 177.300 -0.131 0.000 1.168 576 P CA 0.479 63.253 63.100 -0.544 0.000 0.779 576 P CB -0.158 30.921 31.700 -1.035 0.000 0.844 577 F N 0.841 120.812 119.950 0.035 0.000 2.606 577 F HA 0.254 4.781 4.527 -0.000 0.000 0.347 577 F C 0.329 176.175 175.800 0.077 0.000 1.207 577 F CA -0.846 57.198 58.000 0.073 0.000 1.306 577 F CB 0.245 39.255 39.000 0.016 0.000 1.657 577 F HN -0.338 nan 8.300 nan 0.000 0.606 578 V N 0.914 120.970 119.914 0.237 0.000 2.656 578 V HA 0.531 4.650 4.120 -0.000 0.000 0.307 578 V C -0.317 175.847 176.094 0.116 0.000 1.051 578 V CA -0.759 61.634 62.300 0.156 0.000 0.893 578 V CB 2.239 34.148 31.823 0.142 0.000 0.999 578 V HN 0.484 nan 8.190 nan 0.000 0.426 579 S N 2.911 118.659 115.700 0.080 0.000 2.599 579 S HA 0.891 5.361 4.470 -0.000 0.000 0.294 579 S C -0.979 173.609 174.600 -0.021 0.000 1.094 579 S CA -0.841 57.386 58.200 0.044 0.000 0.931 579 S CB 2.089 65.331 63.200 0.069 0.000 1.093 579 S HN 0.435 nan 8.310 nan 0.000 0.488 580 V N 1.819 121.684 119.914 -0.083 0.000 2.513 580 V HA 0.819 4.938 4.120 -0.000 0.000 0.299 580 V C 0.084 176.096 176.094 -0.138 0.000 1.035 580 V CA -0.431 61.742 62.300 -0.211 0.000 0.889 580 V CB 1.512 33.021 31.823 -0.523 0.000 0.988 580 V HN 1.207 nan 8.190 nan 0.000 0.440 581 T N -0.480 114.009 114.554 -0.109 0.000 2.896 581 T HA 0.644 4.994 4.350 -0.000 0.000 0.297 581 T C -0.862 173.820 174.700 -0.030 0.000 1.108 581 T CA -0.909 61.151 62.100 -0.066 0.000 1.004 581 T CB 2.073 70.895 68.868 -0.076 0.000 1.159 581 T HN 0.723 nan 8.240 nan 0.000 0.499 582 D N 0.466 120.823 120.400 -0.071 0.000 2.451 582 D HA 0.259 4.899 4.640 -0.000 0.000 0.259 582 D C 0.285 176.450 176.300 -0.226 0.000 1.201 582 D CA -1.184 52.662 54.000 -0.256 0.000 1.028 582 D CB 0.363 41.014 40.800 -0.248 0.000 1.095 582 D HN 0.356 nan 8.370 nan 0.000 0.539 583 L N -0.294 120.777 121.223 -0.255 0.000 2.888 583 L HA 0.425 4.765 4.340 -0.000 0.000 0.237 583 L C 0.902 177.694 176.870 -0.132 0.000 1.288 583 L CA 0.117 54.849 54.840 -0.180 0.000 1.110 583 L CB -0.758 41.198 42.059 -0.172 0.000 1.441 583 L HN 0.632 nan 8.230 nan 0.000 0.474 584 A N -0.523 122.228 122.820 -0.115 0.000 2.535 584 A HA 0.243 4.563 4.320 -0.000 0.000 0.273 584 A C 1.150 178.689 177.584 -0.074 0.000 1.267 584 A CA 0.143 52.130 52.037 -0.084 0.000 0.940 584 A CB -0.379 18.579 19.000 -0.071 0.000 1.101 584 A HN 0.450 nan 8.150 nan 0.000 0.521 585 N N 0.287 118.937 118.700 -0.084 0.000 2.782 585 N HA -0.142 4.598 4.740 -0.000 0.000 0.251 585 N C -0.991 174.479 175.510 -0.065 0.000 1.101 585 N CA 0.894 53.902 53.050 -0.070 0.000 0.764 585 N CB -1.824 36.632 38.487 -0.052 0.000 1.122 585 N HN 0.566 nan 8.380 nan 0.000 0.561 586 N N 1.090 119.747 118.700 -0.073 0.000 2.497 586 N HA 0.267 5.006 4.740 -0.000 0.000 0.271 586 N C -2.489 172.961 175.510 -0.100 0.000 1.142 586 N CA -0.806 52.198 53.050 -0.077 0.000 0.965 586 N CB 0.628 39.077 38.487 -0.064 0.000 1.077 586 N HN 0.238 nan 8.380 nan 0.000 0.462 587 P HA 0.089 nan 4.420 nan 0.000 0.269 587 P C -0.460 176.716 177.300 -0.206 0.000 1.209 587 P CA -0.142 62.806 63.100 -0.254 0.000 0.776 587 P CB 0.725 32.035 31.700 -0.650 0.000 0.876 588 V N 2.158 121.990 119.914 -0.136 0.000 2.487 588 V HA 0.221 4.340 4.120 -0.000 0.000 0.298 588 V C 0.402 176.484 176.094 -0.020 0.000 1.028 588 V CA -0.819 61.453 62.300 -0.047 0.000 0.860 588 V CB 1.329 33.142 31.823 -0.016 0.000 0.991 588 V HN 0.549 nan 8.190 nan 0.000 0.427 589 E N 2.992 123.214 120.200 0.037 0.000 2.414 589 E HA 0.467 4.817 4.350 -0.000 0.000 0.263 589 E C -0.195 176.470 176.600 0.108 0.000 1.000 589 E CA 0.118 56.572 56.400 0.091 0.000 0.914 589 E CB 0.899 30.658 29.700 0.097 0.000 0.948 589 E HN 0.892 nan 8.360 nan 0.000 0.444 590 A N 4.168 127.043 122.820 0.091 0.000 2.527 590 A HA 0.423 4.743 4.320 -0.000 0.000 0.293 590 A C -1.317 176.286 177.584 0.032 0.000 1.117 590 A CA -0.705 51.397 52.037 0.108 0.000 0.723 590 A CB 1.961 21.021 19.000 0.101 0.000 1.313 590 A HN 0.662 nan 8.150 nan 0.000 0.411 591 Q N 0.756 120.583 119.800 0.044 0.000 2.356 591 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 591 Q C -1.985 174.016 176.000 0.002 0.000 1.058 591 Q CA -0.554 55.236 55.803 -0.021 0.000 0.802 591 Q CB 2.168 30.930 28.738 0.041 0.000 1.303 591 Q HN 0.578 nan 8.270 nan 0.000 0.444 592 V N 2.563 122.413 119.914 -0.107 0.000 2.513 592 V HA 0.572 4.692 4.120 -0.000 0.000 0.299 592 V C -0.525 175.753 176.094 0.308 0.000 1.035 592 V CA -0.332 62.022 62.300 0.091 0.000 0.889 592 V CB 1.842 33.694 31.823 0.049 0.000 0.988 592 V HN 0.840 nan 8.190 nan 0.000 0.440 593 S N 5.019 120.934 115.700 0.359 0.000 2.599 593 S HA 0.687 5.156 4.470 -0.000 0.000 0.294 593 S C -2.754 171.948 174.600 0.171 0.000 1.094 593 S CA -1.175 57.229 58.200 0.341 0.000 0.931 593 S CB 2.392 65.736 63.200 0.240 0.000 1.093 593 S HN 0.538 nan 8.310 nan 0.000 0.488 594 P HA 0.227 nan 4.420 nan 0.000 0.273 594 P C -1.147 175.872 177.300 -0.469 0.000 1.250 594 P CA -0.487 62.272 63.100 -0.569 0.000 0.793 594 P CB 0.363 31.308 31.700 -1.259 0.000 1.011 595 V N 1.603 121.160 119.914 -0.595 0.000 2.334 595 V HA 0.198 4.317 4.120 -0.000 0.000 0.267 595 V C -0.562 175.252 176.094 -0.466 0.000 1.040 595 V CA -0.197 61.831 62.300 -0.453 0.000 0.866 595 V CB -0.476 30.995 31.823 -0.585 0.000 1.019 595 V HN 0.516 nan 8.190 nan 0.000 0.468 596 W N 2.844 124.072 121.300 -0.120 0.000 2.433 596 W HA 0.622 5.281 4.660 -0.000 0.000 0.315 596 W C 0.327 176.797 176.519 -0.082 0.000 1.087 596 W CA -0.371 56.891 57.345 -0.138 0.000 1.205 596 W CB 1.714 31.095 29.460 -0.131 0.000 1.288 596 W HN 0.377 nan 8.180 nan 0.000 0.504 597 S N 2.048 117.838 115.700 0.149 0.000 2.519 597 S HA 0.368 4.838 4.470 -0.000 0.000 0.309 597 S C -1.423 173.183 174.600 0.010 0.000 1.100 597 S CA -0.757 57.505 58.200 0.104 0.000 1.059 597 S CB 0.733 64.008 63.200 0.125 0.000 1.008 597 S HN 0.332 nan 8.310 nan 0.000 0.478 598 W N 2.844 124.083 121.300 -0.102 0.000 2.365 598 W HA 0.433 5.092 4.660 -0.000 0.000 0.316 598 W C 0.590 176.866 176.519 -0.404 0.000 1.164 598 W CA -0.297 56.971 57.345 -0.128 0.000 1.204 598 W CB 0.580 29.982 29.460 -0.096 0.000 1.213 598 W HN 0.547 nan 8.180 nan 0.000 0.539 599 H N 2.134 121.226 119.070 0.036 0.000 2.529 599 H HA 0.092 4.648 4.556 -0.000 0.000 0.348 599 H C -0.862 174.489 175.328 0.037 0.000 1.079 599 H CA -0.858 55.163 56.048 -0.046 0.000 1.198 599 H CB 1.770 31.395 29.762 -0.228 0.000 1.521 599 H HN 0.308 nan 8.280 nan 0.000 0.514 600 H N 2.929 122.033 119.070 0.055 0.000 2.820 600 H HA 0.043 4.599 4.556 -0.000 0.000 0.278 600 H C -0.600 174.777 175.328 0.082 0.000 1.142 600 H CA -0.500 55.588 56.048 0.066 0.000 1.346 600 H CB 0.003 29.790 29.762 0.041 0.000 1.438 600 H HN 0.479 nan 8.280 nan 0.000 0.473 601 D N 3.578 124.081 120.400 0.172 0.000 2.365 601 D HA -0.020 4.620 4.640 -0.000 0.000 0.237 601 D C 1.025 177.247 176.300 -0.130 0.000 1.190 601 D CA 0.046 54.078 54.000 0.052 0.000 0.867 601 D CB 0.799 41.772 40.800 0.289 0.000 1.050 601 D HN 0.733 nan 8.370 nan 0.000 0.491 602 T N 1.424 115.836 114.554 -0.236 0.000 3.072 602 T HA -0.061 4.288 4.350 -0.000 0.000 0.266 602 T C 1.762 176.414 174.700 -0.081 0.000 1.127 602 T CA 0.148 62.105 62.100 -0.239 0.000 1.107 602 T CB 0.168 68.923 68.868 -0.188 0.000 0.910 602 T HN 0.262 nan 8.240 nan 0.000 0.513 603 L N 2.153 123.357 121.223 -0.032 0.000 2.130 603 L HA 0.110 4.449 4.340 -0.000 0.000 0.200 603 L C 3.009 179.889 176.870 0.017 0.000 1.075 603 L CA 2.155 56.992 54.840 -0.004 0.000 0.768 603 L CB -1.684 40.376 42.059 0.001 0.000 0.933 603 L HN 0.554 nan 8.230 nan 0.000 0.451 604 T N -4.028 110.552 114.554 0.043 0.000 3.081 604 T HA -0.008 4.342 4.350 -0.000 0.000 0.255 604 T C 0.777 175.526 174.700 0.083 0.000 1.113 604 T CA -0.131 61.999 62.100 0.050 0.000 1.082 604 T CB 0.115 69.007 68.868 0.040 0.000 0.939 604 T HN 0.095 nan 8.240 nan 0.000 0.506 605 K N 2.084 122.552 120.400 0.114 0.000 3.125 605 K HA -0.122 4.198 4.320 -0.000 0.000 0.268 605 K C 0.107 176.841 176.600 0.223 0.000 1.078 605 K CA 1.241 57.640 56.287 0.186 0.000 0.775 605 K CB -2.847 29.728 32.500 0.125 0.000 1.253 605 K HN 0.882 nan 8.250 nan 0.000 0.486 606 T N -2.810 111.909 114.554 0.274 0.000 2.901 606 T HA 0.811 5.160 4.350 -0.000 0.000 0.293 606 T C 0.243 175.185 174.700 0.403 0.000 1.084 606 T CA -1.067 61.198 62.100 0.276 0.000 1.008 606 T CB 2.259 71.254 68.868 0.211 0.000 1.170 606 T HN 0.142 nan 8.240 nan 0.000 0.509 607 I N 3.881 124.644 120.570 0.323 0.000 2.355 607 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 607 I C 0.012 176.425 176.117 0.493 0.000 0.999 607 I CA -0.752 60.752 61.300 0.340 0.000 1.163 607 I CB 0.648 38.754 38.000 0.176 0.000 1.316 607 I HN 0.783 nan 8.210 nan 0.000 0.454 608 H N 6.124 125.384 119.070 0.317 0.000 3.016 608 H HA 0.573 5.129 4.556 -0.000 0.000 0.362 608 H C -3.325 171.831 175.328 -0.286 0.000 1.233 608 H CA -2.544 53.520 56.048 0.027 0.000 1.124 608 H CB 2.117 31.890 29.762 0.019 0.000 1.850 608 H HN 0.169 nan 8.280 nan 0.000 0.549 609 P HA 0.213 nan 4.420 nan 0.000 0.292 609 P C -0.789 176.441 177.300 -0.116 0.000 1.283 609 P CA -0.593 62.006 63.100 -0.834 0.000 0.835 609 P CB 2.107 32.909 31.700 -1.498 0.000 1.017 610 Q N 1.043 120.881 119.800 0.064 0.000 2.342 610 Q HA 0.603 4.943 4.340 -0.000 0.000 0.267 610 Q C 0.217 176.287 176.000 0.118 0.000 1.038 610 Q CA -0.636 55.244 55.803 0.129 0.000 0.832 610 Q CB 2.693 31.404 28.738 -0.045 0.000 1.323 610 Q HN 0.569 nan 8.270 nan 0.000 0.448 611 G N 0.509 109.253 108.800 -0.094 0.000 2.389 611 G HA2 0.356 4.316 3.960 -0.000 0.000 0.328 611 G HA3 0.356 4.316 3.960 -0.000 0.000 0.328 611 G C -0.483 174.163 174.900 -0.424 0.000 1.133 611 G CA -0.353 44.386 45.100 -0.601 0.000 0.891 611 G HN 0.421 nan 8.290 nan 0.000 0.485 612 S N -0.706 114.690 115.700 -0.505 0.000 2.580 612 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 612 S C 1.527 175.872 174.600 -0.426 0.000 1.329 612 S CA 0.224 58.166 58.200 -0.430 0.000 1.036 612 S CB 0.731 63.621 63.200 -0.516 0.000 0.919 612 S HN 0.891 nan 8.310 nan 0.000 0.515 613 T N -0.344 114.036 114.554 -0.289 0.000 3.092 613 T HA 0.190 4.540 4.350 -0.000 0.000 0.258 613 T C 0.941 175.557 174.700 -0.140 0.000 1.031 613 T CA 0.393 62.393 62.100 -0.167 0.000 0.925 613 T CB -0.165 68.655 68.868 -0.081 0.000 1.036 613 T HN 0.688 nan 8.240 nan 0.000 0.544 614 T N -1.646 112.725 114.554 -0.305 0.000 3.131 614 T HA 0.305 4.655 4.350 -0.000 0.000 0.283 614 T C 0.062 174.540 174.700 -0.369 0.000 0.906 614 T CA -0.552 61.419 62.100 -0.215 0.000 0.882 614 T CB 0.087 68.882 68.868 -0.122 0.000 1.208 614 T HN 0.622 nan 8.240 nan 0.000 0.561 615 K N 0.117 120.067 120.400 -0.750 0.000 2.469 615 K HA 0.682 5.001 4.320 -0.000 0.000 0.254 615 K C -2.041 173.892 176.600 -1.112 0.000 0.939 615 K CA -0.926 54.955 56.287 -0.677 0.000 0.812 615 K CB 1.941 34.206 32.500 -0.391 0.000 1.301 615 K HN 0.147 nan 8.250 nan 0.000 0.433 616 Y N 0.178 120.411 120.300 -0.111 0.000 2.581 616 Y HA 0.465 5.014 4.550 -0.000 0.000 0.345 616 Y C -0.399 175.537 175.900 0.061 0.000 1.036 616 Y CA -1.186 56.886 58.100 -0.047 0.000 1.042 616 Y CB 2.347 40.844 38.460 0.062 0.000 1.289 616 Y HN 0.379 nan 8.280 nan 0.000 0.471 617 R N 1.821 122.476 120.500 0.258 0.000 2.294 617 R HA 0.577 4.916 4.340 -0.000 0.000 0.319 617 R C -1.247 175.232 176.300 0.298 0.000 0.984 617 R CA -0.626 55.664 56.100 0.316 0.000 0.861 617 R CB 1.684 32.147 30.300 0.272 0.000 1.104 617 R HN 0.636 nan 8.270 nan 0.000 0.451 618 I N 4.151 124.914 120.570 0.321 0.000 2.412 618 I HA 0.434 4.604 4.170 -0.000 0.000 0.296 618 I C -1.016 175.286 176.117 0.308 0.000 0.987 618 I CA -0.811 60.667 61.300 0.296 0.000 1.180 618 I CB 1.096 39.284 38.000 0.313 0.000 1.340 618 I HN 0.544 nan 8.210 nan 0.000 0.455 619 I N 8.048 128.770 120.570 0.254 0.000 2.498 619 I HA 0.500 4.669 4.170 -0.000 0.000 0.290 619 I C -1.035 175.231 176.117 0.248 0.000 1.032 619 I CA -0.517 60.881 61.300 0.164 0.000 1.073 619 I CB 1.664 39.724 38.000 0.099 0.000 1.251 619 I HN 0.496 nan 8.210 nan 0.000 0.426 620 F N 2.791 122.765 119.950 0.041 0.000 2.686 620 F HA 0.563 5.090 4.527 -0.000 0.000 0.311 620 F C -1.058 174.726 175.800 -0.027 0.000 1.128 620 F CA -1.276 56.726 58.000 0.003 0.000 0.946 620 F CB 1.358 40.346 39.000 -0.020 0.000 1.336 620 F HN 0.210 nan 8.300 nan 0.000 0.457 621 K N 2.091 122.578 120.400 0.145 0.000 2.285 621 K HA 0.716 5.036 4.320 -0.000 0.000 0.286 621 K C -0.601 176.050 176.600 0.085 0.000 1.072 621 K CA -0.340 55.975 56.287 0.046 0.000 0.913 621 K CB 0.788 33.345 32.500 0.094 0.000 1.067 621 K HN 0.922 nan 8.250 nan 0.000 0.479 622 A N 4.675 127.451 122.820 -0.074 0.000 2.310 622 A HA 0.372 4.692 4.320 -0.000 0.000 0.299 622 A C -0.567 177.145 177.584 0.214 0.000 1.147 622 A CA -0.637 51.423 52.037 0.039 0.000 0.818 622 A CB 0.608 19.591 19.000 -0.029 0.000 1.096 622 A HN 0.884 nan 8.150 nan 0.000 0.495 623 R N 2.124 122.858 120.500 0.390 0.000 2.409 623 R HA 0.596 4.936 4.340 -0.000 0.000 0.313 623 R C -1.917 174.645 176.300 0.437 0.000 0.953 623 R CA -0.238 56.086 56.100 0.374 0.000 0.849 623 R CB 1.283 31.781 30.300 0.331 0.000 1.171 623 R HN 0.494 nan 8.270 nan 0.000 0.458 624 V N 6.207 126.338 119.914 0.362 0.000 2.588 624 V HA 0.456 4.576 4.120 -0.000 0.000 0.304 624 V C -2.251 173.755 176.094 -0.147 0.000 1.042 624 V CA -2.321 60.083 62.300 0.173 0.000 0.877 624 V CB 1.887 33.782 31.823 0.121 0.000 0.996 624 V HN 0.783 nan 8.190 nan 0.000 0.425 625 P HA 0.213 nan 4.420 nan 0.000 0.271 625 P C -2.743 174.080 177.300 -0.796 0.000 1.244 625 P CA -1.373 60.842 63.100 -1.476 0.000 0.793 625 P CB -0.283 30.732 31.700 -1.143 0.000 0.984 626 P HA 0.077 nan 4.420 nan 0.000 0.264 626 P C 0.117 177.373 177.300 -0.073 0.000 1.193 626 P CA 0.642 63.554 63.100 -0.314 0.000 0.763 626 P CB -0.257 31.323 31.700 -0.200 0.000 0.810 627 M N 0.270 119.866 119.600 -0.007 0.000 2.393 627 M HA -0.209 4.271 4.480 -0.000 0.000 0.201 627 M C 0.556 177.046 176.300 0.317 0.000 0.403 627 M CA 1.031 56.464 55.300 0.221 0.000 0.471 627 M CB -2.079 30.739 32.600 0.363 0.000 1.669 627 M HN 0.583 nan 8.290 nan 0.000 0.864 628 G N -0.167 108.680 108.800 0.078 0.000 3.105 628 G HA2 0.931 4.891 3.960 -0.000 0.000 0.277 628 G HA3 0.931 4.891 3.960 -0.000 0.000 0.277 628 G C -1.350 173.665 174.900 0.191 0.000 1.375 628 G CA -0.970 44.136 45.100 0.011 0.000 0.962 628 G HN 0.167 nan 8.290 nan 0.000 0.541 629 L N -0.418 120.901 121.223 0.161 0.000 2.388 629 L HA 0.797 5.137 4.340 -0.000 0.000 0.264 629 L C -0.200 176.756 176.870 0.143 0.000 0.998 629 L CA -1.019 53.947 54.840 0.211 0.000 0.817 629 L CB 2.455 44.644 42.059 0.217 0.000 1.338 629 L HN 0.754 nan 8.230 nan 0.000 0.414 630 A N 0.909 123.853 122.820 0.206 0.000 2.422 630 A HA 0.818 5.138 4.320 -0.000 0.000 0.302 630 A C -0.770 176.952 177.584 0.230 0.000 1.041 630 A CA -0.456 51.687 52.037 0.176 0.000 0.708 630 A CB 1.741 20.895 19.000 0.257 0.000 1.257 630 A HN 0.560 nan 8.150 nan 0.000 0.414 631 T N 2.130 116.718 114.554 0.057 0.000 2.824 631 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 631 T C -1.080 173.531 174.700 -0.148 0.000 0.995 631 T CA 0.225 62.397 62.100 0.120 0.000 1.009 631 T CB 0.342 69.277 68.868 0.112 0.000 0.955 631 T HN 0.437 nan 8.240 nan 0.000 0.452 632 Y N 0.380 120.751 120.300 0.118 0.000 2.602 632 Y HA 0.676 5.226 4.550 -0.001 0.000 0.342 632 Y C -0.317 175.496 175.900 -0.145 0.000 1.029 632 Y CA -1.169 56.916 58.100 -0.024 0.000 1.080 632 Y CB 1.708 40.173 38.460 0.008 0.000 1.284 632 Y HN 0.308 nan 8.280 nan 0.000 0.485 633 V N 3.132 122.999 119.914 -0.079 0.000 2.588 633 V HA 0.438 4.557 4.120 -0.000 0.000 0.304 633 V C -0.781 175.253 176.094 -0.100 0.000 1.042 633 V CA -0.978 61.219 62.300 -0.173 0.000 0.877 633 V CB 1.788 33.440 31.823 -0.284 0.000 0.996 633 V HN 0.497 nan 8.190 nan 0.000 0.425 634 L N 3.855 125.047 121.223 -0.050 0.000 2.287 634 L HA 0.680 5.020 4.340 -0.000 0.000 0.287 634 L C -0.104 176.783 176.870 0.029 0.000 1.022 634 L CA -0.128 54.699 54.840 -0.021 0.000 0.814 634 L CB 1.670 43.729 42.059 -0.001 0.000 1.217 634 L HN 0.601 nan 8.230 nan 0.000 0.420 635 T N 3.666 118.241 114.554 0.035 0.000 2.861 635 T HA 0.467 4.817 4.350 -0.000 0.000 0.287 635 T C -0.205 174.545 174.700 0.082 0.000 1.003 635 T CA -0.393 61.742 62.100 0.058 0.000 0.977 635 T CB 2.427 71.320 68.868 0.041 0.000 0.996 635 T HN 0.385 nan 8.240 nan 0.000 0.448 636 I N 2.109 122.737 120.570 0.095 0.000 2.662 636 I HA 0.548 4.718 4.170 -0.000 0.000 0.291 636 I C 0.205 176.387 176.117 0.108 0.000 1.046 636 I CA 0.200 61.572 61.300 0.119 0.000 1.361 636 I CB 1.100 39.173 38.000 0.122 0.000 1.429 636 I HN 0.568 nan 8.210 nan 0.000 0.558 637 S N 2.618 118.398 115.700 0.133 0.000 2.634 637 S HA 0.282 4.751 4.470 -0.000 0.000 0.296 637 S C 0.091 174.735 174.600 0.074 0.000 1.104 637 S CA -0.488 57.758 58.200 0.077 0.000 0.920 637 S CB 1.564 64.789 63.200 0.041 0.000 1.111 637 S HN 0.767 nan 8.310 nan 0.000 0.493 638 D N 0.580 120.963 120.400 -0.027 0.000 2.347 638 D HA 0.142 4.782 4.640 -0.000 0.000 0.213 638 D C 0.648 176.724 176.300 -0.374 0.000 0.985 638 D CA 0.479 54.436 54.000 -0.072 0.000 0.879 638 D CB 0.101 40.868 40.800 -0.055 0.000 0.919 638 D HN 0.391 nan 8.370 nan 0.000 0.526 639 S N -1.723 113.629 115.700 -0.579 0.000 2.688 639 S HA 0.358 4.827 4.470 -0.000 0.000 0.275 639 S C -0.900 173.187 174.600 -0.856 0.000 1.175 639 S CA -1.347 56.215 58.200 -1.063 0.000 0.818 639 S CB 1.028 63.914 63.200 -0.523 0.000 1.157 639 S HN -0.027 nan 8.310 nan 0.000 0.482 640 K N 2.020 122.025 120.400 -0.658 0.000 2.453 640 K HA 0.221 4.541 4.320 -0.000 0.000 0.280 640 K C -2.374 174.218 176.600 -0.013 0.000 1.045 640 K CA -0.676 55.563 56.287 -0.080 0.000 1.059 640 K CB -0.486 32.031 32.500 0.028 0.000 0.901 640 K HN 0.395 nan 8.250 nan 0.000 0.475 641 P HA 0.024 nan 4.420 nan 0.000 0.276 641 P C 0.448 177.749 177.300 0.002 0.000 1.244 641 P CA -0.377 62.748 63.100 0.042 0.000 0.801 641 P CB 0.792 32.543 31.700 0.086 0.000 1.006 642 E N 0.699 120.853 120.200 -0.077 0.000 2.118 642 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 642 E C 0.589 176.978 176.600 -0.352 0.000 0.992 642 E CA 1.207 57.457 56.400 -0.251 0.000 0.804 642 E CB -0.064 29.391 29.700 -0.408 0.000 0.741 642 E HN 0.458 nan 8.360 nan 0.000 0.458 643 H N -0.714 118.362 119.070 0.011 0.000 2.505 643 H HA 0.225 4.781 4.556 -0.000 0.000 0.289 643 H C -0.447 174.872 175.328 -0.014 0.000 1.052 643 H CA 0.231 56.281 56.048 0.003 0.000 1.156 643 H CB 0.687 30.450 29.762 0.002 0.000 1.507 643 H HN -0.044 nan 8.280 nan 0.000 0.548 644 T N 1.426 115.997 114.554 0.029 0.000 2.812 644 T HA 0.320 4.669 4.350 -0.000 0.000 0.282 644 T C 0.335 174.909 174.700 -0.209 0.000 0.990 644 T CA -0.698 61.352 62.100 -0.084 0.000 0.960 644 T CB 2.107 70.924 68.868 -0.085 0.000 0.948 644 T HN 0.268 nan 8.240 nan 0.000 0.438 645 S N 2.418 117.949 115.700 -0.282 0.000 2.718 645 S HA 0.775 5.244 4.470 -0.000 0.000 0.300 645 S C -1.355 172.878 174.600 -0.611 0.000 1.117 645 S CA -0.805 57.234 58.200 -0.268 0.000 1.002 645 S CB 0.853 64.017 63.200 -0.060 0.000 1.092 645 S HN 0.578 nan 8.310 nan 0.000 0.542 646 Y N 0.039 120.341 120.300 0.003 0.000 2.350 646 Y HA 0.643 5.192 4.550 -0.000 0.000 0.338 646 Y C 0.578 176.522 175.900 0.073 0.000 0.961 646 Y CA -0.800 57.281 58.100 -0.033 0.000 1.100 646 Y CB 1.653 39.954 38.460 -0.264 0.000 1.179 646 Y HN 1.031 nan 8.280 nan 0.000 0.454 647 A N 2.108 125.110 122.820 0.302 0.000 2.445 647 A HA 0.460 4.779 4.320 -0.000 0.000 0.242 647 A C 0.369 178.150 177.584 0.328 0.000 1.075 647 A CA -0.279 51.929 52.037 0.285 0.000 0.777 647 A CB -0.067 19.106 19.000 0.288 0.000 1.013 647 A HN 0.777 nan 8.150 nan 0.000 0.493 648 S N 2.150 117.980 115.700 0.217 0.000 2.617 648 S HA 0.499 4.969 4.470 -0.000 0.000 0.269 648 S C -0.312 174.389 174.600 0.169 0.000 1.292 648 S CA -0.801 57.511 58.200 0.186 0.000 1.010 648 S CB 0.632 63.899 63.200 0.112 0.000 0.944 648 S HN 0.693 nan 8.310 nan 0.000 0.536 649 N N 0.577 119.354 118.700 0.128 0.000 2.310 649 N HA 0.460 5.199 4.740 -0.000 0.000 0.292 649 N C -2.031 173.434 175.510 -0.076 0.000 1.049 649 N CA -0.528 52.561 53.050 0.065 0.000 0.849 649 N CB 1.971 40.590 38.487 0.220 0.000 1.532 649 N HN 0.579 nan 8.380 nan 0.000 0.479 650 L N 2.653 123.789 121.223 -0.145 0.000 2.406 650 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 650 L C -1.535 175.193 176.870 -0.236 0.000 0.980 650 L CA -0.555 54.169 54.840 -0.193 0.000 0.831 650 L CB 1.538 43.534 42.059 -0.105 0.000 1.253 650 L HN 0.434 nan 8.230 nan 0.000 0.406 651 L N 6.759 127.805 121.223 -0.296 0.000 2.280 651 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 651 L C -1.221 175.635 176.870 -0.023 0.000 1.023 651 L CA -0.391 54.336 54.840 -0.188 0.000 0.819 651 L CB 1.256 43.205 42.059 -0.182 0.000 1.212 651 L HN 0.673 nan 8.230 nan 0.000 0.420 652 L N 6.886 128.106 121.223 -0.006 0.000 2.262 652 L HA 0.551 4.890 4.340 -0.000 0.000 0.288 652 L C -0.267 176.639 176.870 0.060 0.000 1.035 652 L CA -0.514 54.347 54.840 0.036 0.000 0.820 652 L CB 1.018 43.089 42.059 0.019 0.000 1.204 652 L HN 0.652 nan 8.230 nan 0.000 0.424 653 R N 2.081 122.625 120.500 0.075 0.000 2.728 653 R HA 0.409 4.748 4.340 -0.000 0.000 0.259 653 R C -1.664 174.667 176.300 0.051 0.000 1.057 653 R CA -0.994 55.144 56.100 0.064 0.000 0.908 653 R CB 1.112 31.450 30.300 0.063 0.000 1.259 653 R HN 0.163 nan 8.270 nan 0.000 0.472 654 K N 1.602 122.022 120.400 0.033 0.000 2.219 654 K HA 0.121 4.440 4.320 -0.000 0.000 0.258 654 K C -0.115 176.482 176.600 -0.005 0.000 1.008 654 K CA 0.012 56.309 56.287 0.017 0.000 0.928 654 K CB 0.406 32.915 32.500 0.015 0.000 0.983 654 K HN 0.890 nan 8.250 nan 0.000 0.484 655 N N 0.841 119.528 118.700 -0.023 0.000 2.758 655 N HA -0.119 4.621 4.740 -0.000 0.000 0.248 655 N C -2.327 173.130 175.510 -0.088 0.000 1.076 655 N CA -0.442 52.577 53.050 -0.052 0.000 0.696 655 N CB -0.333 38.129 38.487 -0.043 0.000 0.979 655 N HN 0.403 nan 8.380 nan 0.000 0.550 656 P HA 0.180 nan 4.420 nan 0.000 0.274 656 P C -0.241 176.884 177.300 -0.291 0.000 1.237 656 P CA 0.175 63.163 63.100 -0.187 0.000 0.793 656 P CB 1.268 32.822 31.700 -0.243 0.000 0.977 657 T N -2.698 111.678 114.554 -0.297 0.000 2.907 657 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 657 T C 0.254 174.770 174.700 -0.307 0.000 1.066 657 T CA -0.752 61.181 62.100 -0.279 0.000 1.012 657 T CB 0.640 69.412 68.868 -0.160 0.000 1.184 657 T HN 0.472 nan 8.240 nan 0.000 0.522 658 S N 0.532 116.110 115.700 -0.202 0.000 2.576 658 S HA 0.451 4.921 4.470 -0.000 0.000 0.272 658 S C -0.162 174.520 174.600 0.137 0.000 1.352 658 S CA -0.811 57.359 58.200 -0.050 0.000 1.021 658 S CB -0.282 62.908 63.200 -0.016 0.000 0.887 658 S HN 0.702 nan 8.310 nan 0.000 0.542 659 L N 2.002 123.405 121.223 0.299 0.000 2.489 659 L HA 0.366 4.706 4.340 -0.000 0.000 0.257 659 L C -2.405 174.560 176.870 0.159 0.000 1.215 659 L CA -1.585 53.411 54.840 0.259 0.000 0.915 659 L CB 1.653 43.949 42.059 0.394 0.000 1.146 659 L HN 0.587 nan 8.230 nan 0.000 0.494 660 P HA 0.186 nan 4.420 nan 0.000 0.275 660 P C -0.031 177.257 177.300 -0.019 0.000 1.228 660 P CA -0.169 62.957 63.100 0.044 0.000 0.786 660 P CB 1.705 33.421 31.700 0.026 0.000 0.927 661 L N 0.955 122.176 121.223 -0.004 0.000 3.366 661 L HA 0.278 4.618 4.340 -0.000 0.000 0.304 661 L C 1.374 178.300 176.870 0.094 0.000 1.292 661 L CA -0.071 54.746 54.840 -0.038 0.000 1.012 661 L CB 0.056 42.063 42.059 -0.086 0.000 1.414 661 L HN 0.734 nan 8.230 nan 0.000 0.603 662 G N 0.998 109.836 108.800 0.064 0.000 2.611 662 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.301 662 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.301 662 G C 0.516 175.460 174.900 0.075 0.000 1.233 662 G CA 0.630 45.783 45.100 0.089 0.000 0.993 662 G HN 0.434 nan 8.290 nan 0.000 0.553 663 Q N -0.447 119.377 119.800 0.041 0.000 2.482 663 Q HA 0.156 4.496 4.340 -0.000 0.000 0.209 663 Q C 0.759 176.587 176.000 -0.286 0.000 0.961 663 Q CA 0.190 55.910 55.803 -0.138 0.000 0.945 663 Q CB 0.199 28.749 28.738 -0.314 0.000 1.012 663 Q HN 0.483 nan 8.270 nan 0.000 0.515 664 Y N 3.178 123.283 120.300 -0.324 0.000 2.721 664 Y HA -0.030 4.520 4.550 -0.000 0.000 0.329 664 Y C -1.483 174.266 175.900 -0.252 0.000 1.211 664 Y CA -1.610 56.271 58.100 -0.365 0.000 1.512 664 Y CB 0.855 39.245 38.460 -0.118 0.000 1.249 664 Y HN 0.044 nan 8.280 nan 0.000 0.549 665 P HA -0.039 nan 4.420 nan 0.000 0.241 665 P C -0.673 176.482 177.300 -0.242 0.000 1.191 665 P CA 0.888 63.739 63.100 -0.415 0.000 0.771 665 P CB 0.528 31.878 31.700 -0.584 0.000 0.929 666 E N 1.140 121.234 120.200 -0.177 0.000 2.145 666 E HA 0.205 4.555 4.350 -0.000 0.000 0.270 666 E C -0.497 176.221 176.600 0.197 0.000 0.906 666 E CA -0.531 55.899 56.400 0.050 0.000 0.761 666 E CB 1.229 31.002 29.700 0.122 0.000 1.116 666 E HN 0.038 nan 8.360 nan 0.000 0.408 667 D N 1.422 121.897 120.400 0.125 0.000 2.389 667 D HA 0.064 4.704 4.640 -0.000 0.000 0.247 667 D C 0.195 176.555 176.300 0.100 0.000 1.128 667 D CA -0.169 53.906 54.000 0.125 0.000 0.884 667 D CB 1.064 41.924 40.800 0.099 0.000 1.194 667 D HN 0.038 nan 8.370 nan 0.000 0.441 668 V N 3.586 123.544 119.914 0.072 0.000 2.763 668 V HA -0.019 4.101 4.120 -0.000 0.000 0.306 668 V C 0.902 176.824 176.094 -0.287 0.000 1.059 668 V CA 0.168 62.413 62.300 -0.091 0.000 1.138 668 V CB 0.383 32.141 31.823 -0.109 0.000 0.940 668 V HN 0.311 nan 8.190 nan 0.000 0.489 669 K N 3.499 123.664 120.400 -0.390 0.000 2.166 669 K HA 0.657 4.977 4.320 -0.000 0.000 0.245 669 K C -1.039 175.146 176.600 -0.692 0.000 0.967 669 K CA -0.357 55.729 56.287 -0.335 0.000 0.863 669 K CB 1.898 34.333 32.500 -0.109 0.000 1.107 669 K HN 0.426 nan 8.250 nan 0.000 0.436 670 F N -0.903 119.058 119.950 0.019 0.000 2.577 670 F HA 0.665 5.192 4.527 -0.000 0.000 0.318 670 F C 0.627 176.430 175.800 0.006 0.000 1.065 670 F CA -0.662 57.341 58.000 0.005 0.000 0.929 670 F CB 2.657 41.658 39.000 0.002 0.000 1.237 670 F HN 0.616 nan 8.300 nan 0.000 0.468 671 G N 0.307 109.210 108.800 0.172 0.000 2.623 671 G HA2 0.404 4.363 3.960 -0.000 0.000 0.290 671 G HA3 0.404 4.363 3.960 -0.000 0.000 0.290 671 G C -2.133 172.818 174.900 0.085 0.000 1.437 671 G CA -0.861 44.302 45.100 0.105 0.000 0.798 671 G HN 0.370 nan 8.290 nan 0.000 0.488 672 D N 0.928 121.365 120.400 0.062 0.000 2.382 672 D HA 0.362 5.002 4.640 -0.000 0.000 0.240 672 D C -1.969 174.358 176.300 0.045 0.000 1.146 672 D CA -0.517 53.512 54.000 0.049 0.000 0.897 672 D CB 0.877 41.700 40.800 0.039 0.000 1.197 672 D HN 0.003 nan 8.370 nan 0.000 0.432 673 P HA 0.039 nan 4.420 nan 0.000 0.263 673 P C -0.429 176.896 177.300 0.042 0.000 1.175 673 P CA 0.455 63.581 63.100 0.044 0.000 0.761 673 P CB 0.380 32.107 31.700 0.046 0.000 0.794 674 R N 0.576 121.102 120.500 0.043 0.000 2.692 674 R HA 0.434 4.774 4.340 -0.000 0.000 0.269 674 R C -1.063 175.269 176.300 0.053 0.000 1.030 674 R CA -1.034 55.092 56.100 0.043 0.000 0.882 674 R CB 1.177 31.499 30.300 0.037 0.000 1.250 674 R HN 0.230 nan 8.270 nan 0.000 0.465 675 E N 2.207 122.440 120.200 0.054 0.000 2.415 675 E HA 0.182 4.531 4.350 -0.000 0.000 0.262 675 E C 0.093 176.739 176.600 0.076 0.000 1.038 675 E CA 0.020 56.461 56.400 0.069 0.000 0.921 675 E CB 0.872 30.599 29.700 0.045 0.000 0.950 675 E HN 0.457 nan 8.360 nan 0.000 0.438 676 I N -2.212 118.433 120.570 0.126 0.000 2.994 676 I HA 0.560 4.729 4.170 -0.000 0.000 0.306 676 I C -0.948 175.294 176.117 0.209 0.000 1.195 676 I CA -0.769 60.608 61.300 0.128 0.000 1.001 676 I CB 2.470 40.520 38.000 0.083 0.000 1.244 676 I HN 0.228 nan 8.210 nan 0.000 0.437 677 S N 4.093 119.891 115.700 0.164 0.000 2.536 677 S HA 0.837 5.307 4.470 -0.000 0.000 0.287 677 S C -0.728 173.977 174.600 0.175 0.000 1.101 677 S CA -0.617 57.692 58.200 0.181 0.000 0.950 677 S CB 2.212 65.468 63.200 0.093 0.000 1.056 677 S HN 0.538 nan 8.310 nan 0.000 0.481 678 L N 1.981 123.334 121.223 0.217 0.000 2.409 678 L HA 0.681 5.020 4.340 -0.000 0.000 0.262 678 L C -0.466 176.490 176.870 0.143 0.000 0.992 678 L CA -0.668 54.273 54.840 0.168 0.000 0.817 678 L CB 2.304 44.475 42.059 0.187 0.000 1.350 678 L HN 0.502 nan 8.230 nan 0.000 0.411 679 R N 1.595 122.158 120.500 0.105 0.000 2.533 679 R HA 0.680 5.019 4.340 -0.000 0.000 0.288 679 R C -1.977 174.367 176.300 0.074 0.000 1.039 679 R CA -0.492 55.660 56.100 0.086 0.000 0.909 679 R CB 2.245 32.587 30.300 0.070 0.000 1.195 679 R HN 0.407 nan 8.270 nan 0.000 0.438 680 V N 4.636 124.592 119.914 0.070 0.000 2.435 680 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 680 V C 1.137 177.261 176.094 0.051 0.000 1.030 680 V CA 0.579 62.916 62.300 0.061 0.000 0.881 680 V CB 1.094 32.956 31.823 0.064 0.000 0.983 680 V HN 1.117 nan 8.190 nan 0.000 0.445 681 G N 5.062 113.890 108.800 0.047 0.000 2.614 681 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.303 681 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.303 681 G C 0.494 175.414 174.900 0.034 0.000 1.270 681 G CA 0.665 45.789 45.100 0.040 0.000 0.988 681 G HN 0.710 nan 8.290 nan 0.000 0.551 682 N N 2.373 121.090 118.700 0.028 0.000 2.268 682 N HA 0.265 5.004 4.740 -0.000 0.000 0.204 682 N C 1.148 176.668 175.510 0.018 0.000 1.124 682 N CA 0.961 54.024 53.050 0.021 0.000 0.838 682 N CB 0.320 38.816 38.487 0.016 0.000 0.994 682 N HN 0.818 nan 8.380 nan 0.000 0.489 683 G N 1.648 110.463 108.800 0.024 0.000 2.553 683 G HA2 0.243 4.203 3.960 -0.000 0.000 0.278 683 G HA3 0.243 4.203 3.960 -0.000 0.000 0.278 683 G C -2.353 172.559 174.900 0.020 0.000 1.349 683 G CA -0.689 44.425 45.100 0.023 0.000 1.037 683 G HN 0.006 nan 8.290 nan 0.000 0.508 684 P HA 0.199 nan 4.420 nan 0.000 0.272 684 P C -0.465 176.854 177.300 0.031 0.000 1.230 684 P CA -0.003 63.103 63.100 0.011 0.000 0.788 684 P CB 0.767 32.468 31.700 0.002 0.000 0.949 685 T N 2.369 116.940 114.554 0.029 0.000 2.744 685 T HA 0.423 4.772 4.350 -0.000 0.000 0.291 685 T C -0.021 174.709 174.700 0.051 0.000 0.957 685 T CA -0.131 62.008 62.100 0.064 0.000 1.002 685 T CB 0.014 68.936 68.868 0.089 0.000 0.919 685 T HN 0.136 nan 8.240 nan 0.000 0.468 686 L N 3.188 124.441 121.223 0.051 0.000 2.322 686 L HA 0.736 5.076 4.340 -0.000 0.000 0.281 686 L C 0.146 176.935 176.870 -0.134 0.000 1.014 686 L CA -0.425 54.360 54.840 -0.091 0.000 0.815 686 L CB 1.451 43.450 42.059 -0.099 0.000 1.247 686 L HN 0.763 nan 8.230 nan 0.000 0.421 687 A N 3.333 125.973 122.820 -0.301 0.000 2.337 687 A HA 0.876 5.196 4.320 -0.000 0.000 0.329 687 A C -1.243 176.044 177.584 -0.495 0.000 1.146 687 A CA -0.317 51.588 52.037 -0.220 0.000 0.800 687 A CB 0.558 19.466 19.000 -0.153 0.000 1.220 687 A HN 0.446 nan 8.150 nan 0.000 0.472 688 F N 0.836 120.774 119.950 -0.020 0.000 2.551 688 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 688 F C 1.076 176.868 175.800 -0.013 0.000 1.089 688 F CA -0.326 57.670 58.000 -0.006 0.000 0.915 688 F CB 2.158 41.175 39.000 0.027 0.000 1.186 688 F HN 0.681 nan 8.300 nan 0.000 0.456 689 S N 0.228 116.018 115.700 0.150 0.000 2.596 689 S HA 0.074 4.544 4.470 -0.000 0.000 0.260 689 S C 1.041 175.717 174.600 0.126 0.000 1.336 689 S CA -0.014 58.248 58.200 0.104 0.000 0.993 689 S CB 0.636 63.888 63.200 0.087 0.000 0.923 689 S HN 0.854 nan 8.310 nan 0.000 0.567 690 E N -0.214 120.039 120.200 0.088 0.000 2.409 690 E HA -0.169 4.180 4.350 -0.000 0.000 0.198 690 E C 0.937 177.585 176.600 0.079 0.000 1.024 690 E CA 0.851 57.297 56.400 0.077 0.000 0.861 690 E CB -0.430 29.306 29.700 0.060 0.000 0.788 690 E HN 0.785 nan 8.360 nan 0.000 0.521 691 Q N 0.271 120.126 119.800 0.092 0.000 2.211 691 Q HA 0.261 4.601 4.340 -0.000 0.000 0.231 691 Q C 0.625 176.696 176.000 0.119 0.000 0.865 691 Q CA 0.288 56.145 55.803 0.090 0.000 0.997 691 Q CB 0.917 29.704 28.738 0.082 0.000 1.101 691 Q HN 0.436 nan 8.270 nan 0.000 0.468 692 G N 0.571 109.455 108.800 0.140 0.000 2.168 692 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 692 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 692 G C -0.212 174.882 174.900 0.324 0.000 0.997 692 G CA 0.103 45.295 45.100 0.154 0.000 0.708 692 G HN 0.339 nan 8.290 nan 0.000 0.520 693 L N -0.366 121.068 121.223 0.353 0.000 2.329 693 L HA 0.651 4.990 4.340 -0.000 0.000 0.279 693 L C 0.753 177.814 176.870 0.319 0.000 1.014 693 L CA -1.384 53.697 54.840 0.402 0.000 0.814 693 L CB 1.625 43.838 42.059 0.256 0.000 1.257 693 L HN 0.123 nan 8.230 nan 0.000 0.424 694 L N 3.524 124.930 121.223 0.304 0.000 2.559 694 L HA -0.064 4.275 4.340 -0.000 0.000 0.282 694 L C 1.077 177.774 176.870 -0.288 0.000 1.232 694 L CA 0.974 55.709 54.840 -0.174 0.000 0.885 694 L CB 0.172 42.213 42.059 -0.031 0.000 1.131 694 L HN 0.811 nan 8.230 nan 0.000 0.498 695 K N 1.288 121.396 120.400 -0.487 0.000 2.474 695 K HA 0.319 4.639 4.320 -0.000 0.000 0.202 695 K C -0.113 176.145 176.600 -0.571 0.000 1.248 695 K CA 0.321 56.114 56.287 -0.823 0.000 0.946 695 K CB 0.444 32.545 32.500 -0.664 0.000 1.102 695 K HN 0.600 nan 8.250 nan 0.000 0.541 696 S N 0.381 115.868 115.700 -0.355 0.000 2.565 696 S HA 0.580 5.050 4.470 -0.000 0.000 0.269 696 S C -1.101 173.408 174.600 -0.152 0.000 1.153 696 S CA -1.011 57.079 58.200 -0.184 0.000 0.835 696 S CB 1.285 64.439 63.200 -0.076 0.000 1.122 696 S HN 0.181 nan 8.310 nan 0.000 0.462 697 I N 1.496 122.015 120.570 -0.085 0.000 2.466 697 I HA 0.451 4.620 4.170 -0.000 0.000 0.289 697 I C -0.515 175.578 176.117 -0.040 0.000 1.026 697 I CA -0.377 60.884 61.300 -0.065 0.000 1.078 697 I CB 2.093 40.044 38.000 -0.082 0.000 1.249 697 I HN 0.742 nan 8.210 nan 0.000 0.429 698 Q N 6.168 125.944 119.800 -0.041 0.000 2.368 698 Q HA 0.410 4.749 4.340 -0.000 0.000 0.263 698 Q C 0.007 175.951 176.000 -0.094 0.000 1.009 698 Q CA -0.494 55.225 55.803 -0.139 0.000 0.818 698 Q CB 1.565 30.125 28.738 -0.297 0.000 1.239 698 Q HN 0.788 nan 8.270 nan 0.000 0.464 699 L N 2.097 123.268 121.223 -0.086 0.000 2.093 699 L HA -0.010 4.329 4.340 -0.000 0.000 0.208 699 L C 1.262 178.103 176.870 -0.049 0.000 1.085 699 L CA 1.293 56.099 54.840 -0.057 0.000 0.755 699 L CB -0.178 41.849 42.059 -0.054 0.000 0.904 699 L HN 0.681 nan 8.230 nan 0.000 0.435 700 T N -5.779 108.736 114.554 -0.064 0.000 2.864 700 T HA 0.285 4.635 4.350 -0.000 0.000 0.289 700 T C 0.279 174.941 174.700 -0.062 0.000 1.082 700 T CA -0.767 61.303 62.100 -0.050 0.000 1.009 700 T CB 1.789 70.633 68.868 -0.041 0.000 1.234 700 T HN -0.108 nan 8.240 nan 0.000 0.526 701 Q N 0.546 120.322 119.800 -0.039 0.000 2.291 701 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 701 Q C 1.237 177.207 176.000 -0.049 0.000 0.970 701 Q CA 1.641 57.423 55.803 -0.035 0.000 0.876 701 Q CB -0.150 28.582 28.738 -0.010 0.000 0.935 701 Q HN 0.833 nan 8.270 nan 0.000 0.455 702 D N -1.077 119.292 120.400 -0.051 0.000 2.398 702 D HA 0.015 4.654 4.640 -0.000 0.000 0.210 702 D C 0.321 176.578 176.300 -0.072 0.000 1.094 702 D CA 0.077 54.048 54.000 -0.048 0.000 0.839 702 D CB -0.123 40.660 40.800 -0.028 0.000 0.963 702 D HN 0.092 nan 8.370 nan 0.000 0.506 703 S N 0.041 115.679 115.700 -0.103 0.000 2.655 703 S HA 0.560 5.029 4.470 -0.000 0.000 0.265 703 S C -2.577 171.922 174.600 -0.168 0.000 1.240 703 S CA -1.039 57.096 58.200 -0.108 0.000 0.986 703 S CB 1.049 64.193 63.200 -0.094 0.000 0.985 703 S HN -0.188 nan 8.310 nan 0.000 0.562 704 P HA 0.172 nan 4.420 nan 0.000 0.269 704 P C -0.665 176.516 177.300 -0.199 0.000 1.215 704 P CA -0.100 62.930 63.100 -0.117 0.000 0.780 704 P CB 0.126 31.801 31.700 -0.041 0.000 0.898 705 H N 1.059 120.117 119.070 -0.019 0.000 3.067 705 H HA 0.124 4.680 4.556 -0.000 0.000 0.265 705 H C -0.131 175.172 175.328 -0.041 0.000 1.234 705 H CA -0.249 55.779 56.048 -0.034 0.000 1.452 705 H CB -0.216 29.528 29.762 -0.031 0.000 1.527 705 H HN 0.112 nan 8.280 nan 0.000 0.486 706 V N 6.922 126.843 119.914 0.012 0.000 2.470 706 V HA 0.048 4.168 4.120 -0.000 0.000 0.276 706 V C -1.853 174.213 176.094 -0.047 0.000 1.040 706 V CA -1.476 60.811 62.300 -0.022 0.000 1.008 706 V CB 0.660 32.456 31.823 -0.046 0.000 0.990 706 V HN 0.532 nan 8.190 nan 0.000 0.477 707 P HA 0.166 nan 4.420 nan 0.000 0.266 707 P C -0.812 176.430 177.300 -0.098 0.000 1.215 707 P CA 0.265 63.310 63.100 -0.092 0.000 0.763 707 P CB 0.460 31.948 31.700 -0.354 0.000 0.806 708 V N 4.936 124.834 119.914 -0.027 0.000 2.559 708 V HA 0.231 4.350 4.120 -0.000 0.000 0.289 708 V C -0.507 175.513 176.094 -0.124 0.000 1.036 708 V CA -0.433 61.799 62.300 -0.113 0.000 0.887 708 V CB 0.951 32.656 31.823 -0.197 0.000 1.022 708 V HN 0.595 nan 8.190 nan 0.000 0.442 709 H N 4.256 123.173 119.070 -0.254 0.000 2.505 709 H HA 0.483 5.039 4.556 -0.000 0.000 0.338 709 H C -0.999 174.215 175.328 -0.191 0.000 1.057 709 H CA -0.487 55.458 56.048 -0.173 0.000 1.202 709 H CB 2.104 31.803 29.762 -0.105 0.000 1.466 709 H HN 0.472 nan 8.280 nan 0.000 0.499 710 F N 2.450 122.388 119.950 -0.020 0.000 2.399 710 F HA 0.250 4.777 4.527 -0.000 0.000 0.342 710 F C 0.556 176.274 175.800 -0.137 0.000 1.106 710 F CA 0.068 57.995 58.000 -0.122 0.000 1.196 710 F CB 1.086 40.015 39.000 -0.118 0.000 1.163 710 F HN 0.273 nan 8.300 nan 0.000 0.547 711 K N 3.682 124.067 120.400 -0.025 0.000 2.523 711 K HA 0.445 4.765 4.320 -0.000 0.000 0.257 711 K C -1.934 174.480 176.600 -0.310 0.000 0.932 711 K CA -0.625 55.620 56.287 -0.071 0.000 0.812 711 K CB 1.447 33.940 32.500 -0.012 0.000 1.326 711 K HN 0.429 nan 8.250 nan 0.000 0.433 712 F N 3.910 123.834 119.950 -0.043 0.000 2.436 712 F HA 0.498 5.024 4.527 -0.000 0.000 0.340 712 F C -0.343 175.433 175.800 -0.040 0.000 1.113 712 F CA -0.598 57.371 58.000 -0.053 0.000 1.022 712 F CB 1.176 40.121 39.000 -0.091 0.000 1.128 712 F HN 0.237 nan 8.300 nan 0.000 0.466 713 L N 2.675 123.956 121.223 0.097 0.000 2.303 713 L HA 0.624 4.963 4.340 -0.000 0.000 0.256 713 L C -1.186 175.685 176.870 0.002 0.000 1.034 713 L CA -1.029 53.812 54.840 0.002 0.000 0.832 713 L CB 2.265 44.264 42.059 -0.101 0.000 1.403 713 L HN 0.464 nan 8.230 nan 0.000 0.419 714 K N -0.129 120.231 120.400 -0.067 0.000 2.378 714 K HA 0.646 4.966 4.320 -0.000 0.000 0.252 714 K C -1.773 174.765 176.600 -0.103 0.000 0.931 714 K CA -0.771 55.506 56.287 -0.017 0.000 0.794 714 K CB 1.710 34.226 32.500 0.027 0.000 1.181 714 K HN 0.278 nan 8.250 nan 0.000 0.425 715 Y N 0.616 120.977 120.300 0.102 0.000 2.387 715 Y HA 0.490 5.040 4.550 -0.000 0.000 0.330 715 Y C 1.035 176.992 175.900 0.095 0.000 1.133 715 Y CA -0.170 58.001 58.100 0.119 0.000 1.152 715 Y CB 2.109 40.706 38.460 0.228 0.000 1.215 715 Y HN 0.899 nan 8.280 nan 0.000 0.466 716 G N 0.664 109.605 108.800 0.235 0.000 2.971 716 G HA2 0.634 4.593 3.960 -0.000 0.000 0.235 716 G HA3 0.634 4.593 3.960 -0.000 0.000 0.235 716 G C -1.415 173.559 174.900 0.122 0.000 1.351 716 G CA -0.722 44.462 45.100 0.140 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.172 119.780 119.914 0.064 0.000 2.864 717 V HA 0.469 4.589 4.120 -0.000 0.000 0.314 717 V C -0.055 176.036 176.094 -0.005 0.000 1.073 717 V CA -0.874 61.446 62.300 0.033 0.000 0.956 717 V CB 1.954 33.796 31.823 0.032 0.000 1.023 717 V HN 0.678 nan 8.190 nan 0.000 0.435 718 R N 1.312 121.799 120.500 -0.022 0.000 2.543 718 R HA 0.219 4.559 4.340 -0.000 0.000 0.277 718 R C 1.092 177.333 176.300 -0.099 0.000 1.074 718 R CA 0.406 56.475 56.100 -0.051 0.000 1.076 718 R CB 0.630 30.914 30.300 -0.026 0.000 0.993 718 R HN 0.905 nan 8.270 nan 0.000 0.459 719 S N 0.995 116.562 115.700 -0.221 0.000 2.548 719 S HA 0.024 4.493 4.470 -0.000 0.000 0.215 719 S C -0.034 174.311 174.600 -0.425 0.000 0.976 719 S CA -0.147 57.858 58.200 -0.324 0.000 0.908 719 S CB -0.060 62.903 63.200 -0.395 0.000 0.781 719 S HN 0.693 nan 8.310 nan 0.000 0.519 720 H N -0.239 118.832 119.070 0.001 0.000 2.768 720 H HA 0.729 5.284 4.556 -0.000 0.000 0.371 720 H C 0.731 176.056 175.328 -0.004 0.000 1.151 720 H CA -0.297 55.750 56.048 -0.001 0.000 1.165 720 H CB 1.301 31.062 29.762 -0.002 0.000 1.722 720 H HN 0.365 nan 8.280 nan 0.000 0.543 721 G N 1.314 110.183 108.800 0.115 0.000 2.568 721 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.222 721 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.222 721 G C -1.121 173.793 174.900 0.025 0.000 1.321 721 G CA -0.476 44.659 45.100 0.058 0.000 0.893 721 G HN 0.679 nan 8.290 nan 0.000 0.569 722 D N 1.505 121.911 120.400 0.011 0.000 2.350 722 D HA 0.478 5.117 4.640 -0.000 0.000 0.249 722 D C 0.858 177.153 176.300 -0.008 0.000 1.119 722 D CA 0.069 54.067 54.000 -0.004 0.000 0.886 722 D CB 0.626 41.419 40.800 -0.011 0.000 1.195 722 D HN 0.419 nan 8.370 nan 0.000 0.437 723 R N 1.211 121.705 120.500 -0.009 0.000 2.407 723 R HA 0.328 4.668 4.340 -0.000 0.000 0.303 723 R C 0.017 176.317 176.300 -0.001 0.000 0.981 723 R CA -0.636 55.462 56.100 -0.003 0.000 0.905 723 R CB 1.040 31.341 30.300 0.002 0.000 1.099 723 R HN 0.297 nan 8.270 nan 0.000 0.459 724 S N 0.419 116.128 115.700 0.015 0.000 2.563 724 S HA 0.375 4.845 4.470 -0.000 0.000 0.284 724 S C 0.657 175.280 174.600 0.038 0.000 1.331 724 S CA 0.162 58.386 58.200 0.039 0.000 1.047 724 S CB 1.028 64.282 63.200 0.090 0.000 0.859 724 S HN 0.785 nan 8.310 nan 0.000 0.514 725 G N -0.018 108.805 108.800 0.039 0.000 2.846 725 G HA2 0.588 4.548 3.960 -0.000 0.000 0.299 725 G HA3 0.588 4.548 3.960 -0.000 0.000 0.299 725 G C 0.550 175.476 174.900 0.043 0.000 1.242 725 G CA -0.113 45.016 45.100 0.048 0.000 0.800 725 G HN 0.702 nan 8.290 nan 0.000 0.538 726 A N -1.234 121.604 122.820 0.030 0.000 1.972 726 A HA 0.090 4.410 4.320 -0.000 0.000 0.219 726 A C 1.948 179.466 177.584 -0.112 0.000 1.169 726 A CA 1.983 53.985 52.037 -0.059 0.000 0.635 726 A CB -0.642 18.262 19.000 -0.159 0.000 0.810 726 A HN 0.583 nan 8.150 nan 0.000 0.446 727 Y N -0.681 119.562 120.300 -0.095 0.000 2.266 727 Y HA 0.321 4.871 4.550 -0.000 0.000 0.294 727 Y C 0.927 176.725 175.900 -0.171 0.000 1.127 727 Y CA 0.146 58.118 58.100 -0.212 0.000 1.140 727 Y CB -0.211 37.786 38.460 -0.772 0.000 1.071 727 Y HN 0.022 nan 8.280 nan 0.000 0.525 728 L N 0.488 121.677 121.223 -0.058 0.000 2.312 728 L HA 0.222 4.562 4.340 -0.000 0.000 0.281 728 L C -0.959 175.964 176.870 0.089 0.000 1.070 728 L CA -0.378 54.430 54.840 -0.054 0.000 0.805 728 L CB 1.184 43.161 42.059 -0.136 0.000 1.174 728 L HN 0.110 nan 8.230 nan 0.000 0.434 729 F N 4.914 124.813 119.950 -0.084 0.000 2.361 729 F HA 0.474 5.001 4.527 -0.001 0.000 0.364 729 F C -0.578 175.153 175.800 -0.115 0.000 1.117 729 F CA -0.737 57.175 58.000 -0.147 0.000 1.071 729 F CB 0.690 39.535 39.000 -0.258 0.000 1.188 729 F HN 0.316 nan 8.300 nan 0.000 0.464 730 L N 8.973 130.096 121.223 -0.166 0.000 2.529 730 L HA 0.332 4.672 4.340 -0.000 0.000 0.246 730 L C -2.335 174.375 176.870 -0.266 0.000 1.394 730 L CA -1.844 52.859 54.840 -0.229 0.000 0.906 730 L CB 0.889 42.900 42.059 -0.079 0.000 1.170 730 L HN 0.420 nan 8.230 nan 0.000 0.501 731 P HA 0.052 nan 4.420 nan 0.000 0.272 731 P C -0.506 176.728 177.300 -0.111 0.000 1.230 731 P CA -0.312 62.621 63.100 -0.279 0.000 0.788 731 P CB 0.584 32.002 31.700 -0.470 0.000 0.949 732 N N 0.713 119.415 118.700 0.004 0.000 3.250 732 N HA 0.273 5.013 4.740 -0.000 0.000 0.307 732 N C 0.659 176.190 175.510 0.035 0.000 1.355 732 N CA -0.177 52.880 53.050 0.011 0.000 1.192 732 N CB -0.822 37.673 38.487 0.014 0.000 1.478 732 N HN 0.743 nan 8.380 nan 0.000 0.543 733 G N 0.842 109.660 108.800 0.029 0.000 2.655 733 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.680 733 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.680 733 G C -3.033 171.941 174.900 0.123 0.000 1.302 733 G CA -1.095 44.034 45.100 0.049 0.000 0.872 733 G HN 0.370 nan 8.290 nan 0.000 0.540 734 P HA 0.451 nan 4.420 nan 0.000 0.269 734 P C 0.531 177.795 177.300 -0.060 0.000 1.217 734 P CA 0.652 63.813 63.100 0.100 0.000 0.783 734 P CB 0.343 32.068 31.700 0.042 0.000 0.898 735 A N 1.949 124.556 122.820 -0.355 0.000 2.425 735 A HA 0.375 4.695 4.320 -0.000 0.000 0.242 735 A C 0.188 177.625 177.584 -0.245 0.000 1.077 735 A CA 0.300 51.974 52.037 -0.604 0.000 0.781 735 A CB -0.260 18.111 19.000 -1.049 0.000 1.020 735 A HN 0.471 nan 8.150 nan 0.000 0.494 736 S N 2.487 118.081 115.700 -0.176 0.000 2.501 736 S HA 0.596 5.066 4.470 -0.000 0.000 0.301 736 S C -2.689 171.874 174.600 -0.062 0.000 1.096 736 S CA -1.033 57.117 58.200 -0.084 0.000 1.063 736 S CB 1.306 64.478 63.200 -0.046 0.000 1.042 736 S HN 0.584 nan 8.310 nan 0.000 0.494 737 P HA 0.100 nan 4.420 nan 0.000 0.268 737 P C -0.628 176.678 177.300 0.009 0.000 1.205 737 P CA -0.343 62.754 63.100 -0.006 0.000 0.771 737 P CB 0.257 31.961 31.700 0.006 0.000 0.858 738 V N 3.542 123.476 119.914 0.033 0.000 2.585 738 V HA -0.043 4.076 4.120 -0.000 0.000 0.296 738 V C 1.009 177.116 176.094 0.022 0.000 1.035 738 V CA 0.339 62.656 62.300 0.029 0.000 1.084 738 V CB -0.434 31.414 31.823 0.043 0.000 0.953 738 V HN 0.505 nan 8.190 nan 0.000 0.483 739 E N 4.634 124.840 120.200 0.010 0.000 2.104 739 E HA 0.160 4.509 4.350 -0.000 0.000 0.278 739 E C 0.501 177.103 176.600 0.004 0.000 1.127 739 E CA -0.168 56.238 56.400 0.010 0.000 0.897 739 E CB 0.656 30.361 29.700 0.008 0.000 1.043 739 E HN 0.565 nan 8.360 nan 0.000 0.410 740 L N 2.676 123.906 121.223 0.011 0.000 2.509 740 L HA 0.084 4.423 4.340 -0.000 0.000 0.222 740 L C 1.433 178.307 176.870 0.007 0.000 1.123 740 L CA 0.359 55.200 54.840 0.002 0.000 0.856 740 L CB -0.743 41.326 42.059 0.017 0.000 0.985 740 L HN 0.830 nan 8.230 nan 0.000 0.456 741 G N 1.003 109.812 108.800 0.015 0.000 2.596 741 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.295 741 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.295 741 G C 0.078 174.995 174.900 0.028 0.000 1.240 741 G CA 0.047 45.160 45.100 0.021 0.000 0.985 741 G HN 0.443 nan 8.290 nan 0.000 0.555 742 Q N 1.552 121.372 119.800 0.033 0.000 2.788 742 Q HA 0.376 4.715 4.340 -0.000 0.000 0.261 742 Q C -2.275 173.755 176.000 0.050 0.000 1.029 742 Q CA -1.452 54.375 55.803 0.040 0.000 0.848 742 Q CB 1.815 30.576 28.738 0.038 0.000 1.185 742 Q HN 0.565 nan 8.270 nan 0.000 0.482 743 P HA 0.084 nan 4.420 nan 0.000 0.274 743 P C -0.266 177.092 177.300 0.097 0.000 1.237 743 P CA -0.322 62.816 63.100 0.064 0.000 0.793 743 P CB 1.070 32.788 31.700 0.030 0.000 0.977 744 V N 2.088 122.098 119.914 0.159 0.000 2.488 744 V HA 0.146 4.266 4.120 -0.000 0.000 0.277 744 V C 0.478 176.722 176.094 0.250 0.000 1.046 744 V CA -0.282 62.137 62.300 0.198 0.000 0.986 744 V CB 1.247 33.228 31.823 0.262 0.000 0.989 744 V HN 0.254 nan 8.190 nan 0.000 0.475 745 V N 6.330 126.335 119.914 0.152 0.000 2.495 745 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 745 V C -0.434 175.681 176.094 0.035 0.000 1.031 745 V CA -0.641 61.724 62.300 0.109 0.000 0.871 745 V CB 1.706 33.551 31.823 0.037 0.000 0.988 745 V HN 0.668 nan 8.190 nan 0.000 0.432 746 L N 6.640 127.879 121.223 0.027 0.000 2.305 746 L HA 0.719 5.059 4.340 -0.000 0.000 0.284 746 L C -0.616 176.146 176.870 -0.180 0.000 1.013 746 L CA -0.004 54.730 54.840 -0.177 0.000 0.819 746 L CB 1.735 43.586 42.059 -0.346 0.000 1.227 746 L HN 0.444 nan 8.230 nan 0.000 0.417 747 V N 4.081 123.879 119.914 -0.192 0.000 2.384 747 V HA 0.552 4.672 4.120 -0.000 0.000 0.287 747 V C 0.030 176.058 176.094 -0.110 0.000 1.020 747 V CA -0.396 61.811 62.300 -0.154 0.000 0.850 747 V CB 1.500 33.247 31.823 -0.127 0.000 0.987 747 V HN 0.839 nan 8.190 nan 0.000 0.436 748 T N 5.318 119.835 114.554 -0.060 0.000 2.779 748 T HA 0.443 4.793 4.350 -0.000 0.000 0.280 748 T C -0.393 174.337 174.700 0.050 0.000 0.987 748 T CA -0.581 61.540 62.100 0.035 0.000 0.966 748 T CB 1.172 70.101 68.868 0.102 0.000 0.933 748 T HN 0.659 nan 8.240 nan 0.000 0.442 749 K N 2.432 122.878 120.400 0.076 0.000 2.450 749 K HA 0.669 4.989 4.320 -0.000 0.000 0.257 749 K C -0.367 176.292 176.600 0.098 0.000 0.953 749 K CA -0.568 55.762 56.287 0.073 0.000 0.844 749 K CB 0.946 33.481 32.500 0.059 0.000 1.103 749 K HN 0.796 nan 8.250 nan 0.000 0.429 750 G N 2.186 111.041 108.800 0.092 0.000 2.658 750 G HA2 0.175 4.135 3.960 -0.000 0.000 0.292 750 G HA3 0.175 4.135 3.960 -0.000 0.000 0.292 750 G C -0.213 174.732 174.900 0.074 0.000 1.320 750 G CA -0.621 44.536 45.100 0.093 0.000 0.933 750 G HN 0.643 nan 8.290 nan 0.000 0.476 751 K N -0.389 120.050 120.400 0.065 0.000 2.103 751 K HA 0.128 4.448 4.320 -0.000 0.000 0.204 751 K C 1.759 178.394 176.600 0.058 0.000 1.052 751 K CA 1.010 57.332 56.287 0.058 0.000 0.945 751 K CB -0.150 32.380 32.500 0.050 0.000 0.722 751 K HN 0.428 nan 8.250 nan 0.000 0.443 752 L N -0.639 120.621 121.223 0.061 0.000 2.357 752 L HA 0.197 4.537 4.340 -0.000 0.000 0.211 752 L C 0.611 177.517 176.870 0.060 0.000 1.075 752 L CA 0.135 55.011 54.840 0.060 0.000 0.830 752 L CB 0.335 42.433 42.059 0.065 0.000 0.996 752 L HN 0.170 nan 8.230 nan 0.000 0.467 753 E N -0.309 119.931 120.200 0.068 0.000 2.304 753 E HA 0.404 4.753 4.350 -0.000 0.000 0.277 753 E C -1.475 175.171 176.600 0.076 0.000 0.898 753 E CA -0.231 56.210 56.400 0.068 0.000 0.764 753 E CB 2.156 31.897 29.700 0.068 0.000 1.216 753 E HN -0.119 nan 8.360 nan 0.000 0.419 754 S N 1.462 117.204 115.700 0.069 0.000 2.634 754 S HA 0.730 5.200 4.470 -0.000 0.000 0.296 754 S C -1.317 173.308 174.600 0.042 0.000 1.104 754 S CA -0.727 57.509 58.200 0.060 0.000 0.920 754 S CB 1.950 65.185 63.200 0.059 0.000 1.111 754 S HN 0.395 nan 8.310 nan 0.000 0.493 755 S N 0.655 116.356 115.700 0.002 0.000 2.533 755 S HA 0.669 5.138 4.470 -0.000 0.000 0.271 755 S C -1.850 172.659 174.600 -0.152 0.000 1.143 755 S CA -0.484 57.693 58.200 -0.040 0.000 0.891 755 S CB 1.099 64.302 63.200 0.005 0.000 1.105 755 S HN 0.455 nan 8.310 nan 0.000 0.468 756 V N 3.511 123.270 119.914 -0.259 0.000 2.444 756 V HA 0.661 4.780 4.120 -0.000 0.000 0.294 756 V C -0.407 175.552 176.094 -0.225 0.000 1.022 756 V CA -0.506 61.568 62.300 -0.377 0.000 0.850 756 V CB 1.564 32.843 31.823 -0.907 0.000 0.992 756 V HN 0.857 nan 8.190 nan 0.000 0.426 757 S N 3.260 118.889 115.700 -0.119 0.000 2.513 757 S HA 0.790 5.259 4.470 -0.000 0.000 0.299 757 S C -0.841 173.711 174.600 -0.079 0.000 1.087 757 S CA -0.627 57.519 58.200 -0.089 0.000 1.012 757 S CB 2.171 65.428 63.200 0.095 0.000 1.044 757 S HN 0.647 nan 8.310 nan 0.000 0.485 758 V N 2.051 121.794 119.914 -0.285 0.000 2.760 758 V HA 0.786 4.906 4.120 -0.000 0.000 0.309 758 V C -0.024 175.721 176.094 -0.582 0.000 1.077 758 V CA -0.433 61.712 62.300 -0.257 0.000 0.910 758 V CB 1.769 33.561 31.823 -0.052 0.000 1.008 758 V HN 0.999 nan 8.190 nan 0.000 0.424 759 G N 7.120 115.589 108.800 -0.551 0.000 2.639 759 G HA2 0.508 4.468 3.960 -0.000 0.000 0.312 759 G HA3 0.508 4.468 3.960 -0.000 0.000 0.312 759 G C -0.455 174.314 174.900 -0.218 0.000 0.911 759 G CA -0.297 44.528 45.100 -0.460 0.000 1.410 759 G HN 0.693 nan 8.290 nan 0.000 0.469 760 L N 2.558 123.613 121.223 -0.281 0.000 2.416 760 L HA 0.395 4.735 4.340 -0.000 0.000 0.262 760 L C -1.991 174.741 176.870 -0.230 0.000 1.093 760 L CA -2.351 52.348 54.840 -0.235 0.000 0.801 760 L CB 1.619 43.473 42.059 -0.341 0.000 1.191 760 L HN 0.189 nan 8.230 nan 0.000 0.459 761 P HA 0.081 nan 4.420 nan 0.000 0.266 761 P C 0.039 177.225 177.300 -0.191 0.000 1.215 761 P CA 0.357 63.356 63.100 -0.168 0.000 0.763 761 P CB 0.971 32.605 31.700 -0.111 0.000 0.806 762 S N -0.175 115.416 115.700 -0.182 0.000 2.929 762 S HA -0.111 4.359 4.470 -0.000 0.000 0.271 762 S C 0.213 174.691 174.600 -0.202 0.000 1.295 762 S CA 1.207 59.313 58.200 -0.156 0.000 1.277 762 S CB -1.604 61.535 63.200 -0.102 0.000 1.557 762 S HN 0.407 nan 8.310 nan 0.000 0.666 763 V N 1.360 121.093 119.914 -0.301 0.000 2.655 763 V HA 0.439 4.559 4.120 -0.000 0.000 0.301 763 V C -0.217 175.640 176.094 -0.395 0.000 1.082 763 V CA -0.814 61.270 62.300 -0.360 0.000 0.899 763 V CB 2.095 33.550 31.823 -0.614 0.000 1.014 763 V HN 0.117 nan 8.190 nan 0.000 0.429 764 V N 4.673 124.366 119.914 -0.368 0.000 2.368 764 V HA 0.299 4.418 4.120 -0.000 0.000 0.266 764 V C 0.195 176.078 176.094 -0.352 0.000 1.045 764 V CA -0.302 61.683 62.300 -0.525 0.000 0.899 764 V CB 0.579 31.968 31.823 -0.723 0.000 1.006 764 V HN 0.907 nan 8.190 nan 0.000 0.470 765 H N 5.992 124.808 119.070 -0.423 0.000 2.488 765 H HA 0.513 5.069 4.556 -0.000 0.000 0.322 765 H C -0.741 174.472 175.328 -0.191 0.000 1.078 765 H CA -0.476 55.428 56.048 -0.240 0.000 1.260 765 H CB 1.541 31.195 29.762 -0.180 0.000 1.425 765 H HN 0.714 nan 8.280 nan 0.000 0.471 766 Q N 4.145 123.651 119.800 -0.490 0.000 2.323 766 Q HA 0.302 4.642 4.340 -0.000 0.000 0.271 766 Q C -1.507 174.292 176.000 -0.335 0.000 1.048 766 Q CA -0.859 54.740 55.803 -0.340 0.000 0.792 766 Q CB 2.014 30.656 28.738 -0.160 0.000 1.280 766 Q HN 0.649 nan 8.270 nan 0.000 0.441 767 T N 4.796 119.231 114.554 -0.197 0.000 2.772 767 T HA 0.541 4.891 4.350 -0.000 0.000 0.288 767 T C -0.386 174.335 174.700 0.035 0.000 0.994 767 T CA -0.316 61.782 62.100 -0.003 0.000 0.951 767 T CB 0.288 69.309 68.868 0.256 0.000 0.933 767 T HN 0.452 nan 8.240 nan 0.000 0.447 768 I N 3.681 124.287 120.570 0.061 0.000 2.433 768 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 768 I C -0.296 175.872 176.117 0.084 0.000 1.001 768 I CA -0.789 60.547 61.300 0.059 0.000 1.119 768 I CB 1.806 39.834 38.000 0.045 0.000 1.289 768 I HN 0.391 nan 8.210 nan 0.000 0.438 769 M N 5.930 125.580 119.600 0.083 0.000 2.190 769 M HA 0.480 4.960 4.480 -0.000 0.000 0.312 769 M C 0.194 176.535 176.300 0.068 0.000 0.990 769 M CA -0.318 55.034 55.300 0.088 0.000 0.927 769 M CB 2.116 34.782 32.600 0.109 0.000 1.571 769 M HN 0.479 nan 8.290 nan 0.000 0.427 770 R N 1.107 121.642 120.500 0.058 0.000 2.535 770 R HA 0.366 4.706 4.340 -0.000 0.000 0.323 770 R C 0.852 177.179 176.300 0.046 0.000 0.979 770 R CA 0.254 56.383 56.100 0.049 0.000 1.120 770 R CB 1.077 31.399 30.300 0.037 0.000 1.306 770 R HN 1.133 nan 8.270 nan 0.000 0.540 771 G N -0.372 108.457 108.800 0.048 0.000 2.255 771 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.196 771 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.196 771 G C 0.303 175.224 174.900 0.035 0.000 0.998 771 G CA -0.404 44.721 45.100 0.042 0.000 0.656 771 G HN 0.508 nan 8.290 nan 0.000 0.490 772 G N 0.030 108.852 108.800 0.036 0.000 3.211 772 G HA2 0.794 4.753 3.960 -0.000 0.000 0.167 772 G HA3 0.794 4.753 3.960 -0.000 0.000 0.167 772 G C 0.497 175.417 174.900 0.034 0.000 1.212 772 G CA 0.444 45.561 45.100 0.028 0.000 0.928 772 G HN 1.511 nan 8.290 nan 0.000 0.607 773 A N 1.414 124.252 122.820 0.030 0.000 2.540 773 A HA 0.515 4.834 4.320 -0.000 0.000 0.239 773 A C -1.748 175.874 177.584 0.062 0.000 1.061 773 A CA -0.456 51.605 52.037 0.039 0.000 0.758 773 A CB -0.433 18.588 19.000 0.035 0.000 0.991 773 A HN 0.392 nan 8.150 nan 0.000 0.502 774 P HA 0.124 nan 4.420 nan 0.000 0.272 774 P C -0.454 176.916 177.300 0.118 0.000 1.230 774 P CA -0.175 62.989 63.100 0.107 0.000 0.788 774 P CB 0.639 32.424 31.700 0.142 0.000 0.949 775 E N 1.385 121.651 120.200 0.109 0.000 2.216 775 E HA 0.372 4.721 4.350 -0.000 0.000 0.279 775 E C -0.759 175.916 176.600 0.125 0.000 0.997 775 E CA -0.699 55.770 56.400 0.115 0.000 0.817 775 E CB 0.528 30.273 29.700 0.076 0.000 1.096 775 E HN 0.216 nan 8.360 nan 0.000 0.393 776 I N 4.233 124.911 120.570 0.179 0.000 2.404 776 I HA 0.407 4.577 4.170 -0.000 0.000 0.293 776 I C -0.073 176.167 176.117 0.204 0.000 0.992 776 I CA -0.607 60.780 61.300 0.146 0.000 1.149 776 I CB 1.274 39.371 38.000 0.162 0.000 1.315 776 I HN 0.565 nan 8.210 nan 0.000 0.446 777 R N 4.677 125.226 120.500 0.081 0.000 2.561 777 R HA 0.499 4.838 4.340 -0.000 0.000 0.297 777 R C -0.945 175.405 176.300 0.085 0.000 0.969 777 R CA -0.848 55.312 56.100 0.100 0.000 0.879 777 R CB 2.051 32.367 30.300 0.027 0.000 1.178 777 R HN 0.456 nan 8.270 nan 0.000 0.445 778 N N 2.675 121.484 118.700 0.182 0.000 2.443 778 N HA 0.190 4.930 4.740 -0.000 0.000 0.269 778 N C -1.238 174.283 175.510 0.018 0.000 0.985 778 N CA -0.699 52.434 53.050 0.138 0.000 0.921 778 N CB 1.854 40.525 38.487 0.308 0.000 1.195 778 N HN 0.324 nan 8.380 nan 0.000 0.492 779 L N 3.718 124.893 121.223 -0.079 0.000 2.282 779 L HA 0.359 4.699 4.340 -0.000 0.000 0.287 779 L C -0.974 175.821 176.870 -0.125 0.000 1.075 779 L CA -0.444 54.327 54.840 -0.114 0.000 0.839 779 L CB 0.432 42.411 42.059 -0.132 0.000 1.219 779 L HN 0.211 nan 8.230 nan 0.000 0.434 780 V N 4.614 124.459 119.914 -0.116 0.000 2.350 780 V HA 0.381 4.501 4.120 -0.000 0.000 0.276 780 V C -0.473 175.576 176.094 -0.074 0.000 1.028 780 V CA -0.494 61.754 62.300 -0.086 0.000 0.860 780 V CB 1.295 33.094 31.823 -0.038 0.000 0.990 780 V HN 0.693 nan 8.190 nan 0.000 0.453 781 D N 4.047 124.404 120.400 -0.071 0.000 2.375 781 D HA 0.263 4.903 4.640 -0.000 0.000 0.259 781 D C 0.429 176.706 176.300 -0.037 0.000 1.235 781 D CA -0.390 53.580 54.000 -0.050 0.000 0.924 781 D CB 1.349 42.115 40.800 -0.056 0.000 1.143 781 D HN 0.464 nan 8.370 nan 0.000 0.529 782 I N 2.347 122.911 120.570 -0.010 0.000 3.291 782 I HA 0.123 4.292 4.170 -0.000 0.000 0.279 782 I C 1.320 177.441 176.117 0.006 0.000 1.294 782 I CA 0.985 62.287 61.300 0.004 0.000 1.428 782 I CB -0.291 37.729 38.000 0.033 0.000 1.070 782 I HN 0.621 nan 8.210 nan 0.000 0.478 783 G N 0.977 109.779 108.800 0.003 0.000 2.583 783 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.292 783 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.292 783 G C 0.548 175.458 174.900 0.018 0.000 1.203 783 G CA 0.414 45.519 45.100 0.009 0.000 0.987 783 G HN 0.672 nan 8.290 nan 0.000 0.554 784 S N -0.076 115.636 115.700 0.021 0.000 2.583 784 S HA 0.526 4.996 4.470 -0.000 0.000 0.239 784 S C 0.835 175.449 174.600 0.024 0.000 0.966 784 S CA 0.073 58.288 58.200 0.024 0.000 0.973 784 S CB 0.011 63.226 63.200 0.025 0.000 0.794 784 S HN 0.710 nan 8.310 nan 0.000 0.463 785 L N 2.994 124.230 121.223 0.023 0.000 2.505 785 L HA 0.259 4.599 4.340 -0.000 0.000 0.279 785 L C -0.292 176.598 176.870 0.033 0.000 1.211 785 L CA -0.234 54.621 54.840 0.025 0.000 1.059 785 L CB -0.642 41.431 42.059 0.023 0.000 1.340 785 L HN 0.152 nan 8.230 nan 0.000 0.447 786 D N 2.856 123.274 120.400 0.031 0.000 2.362 786 D HA 0.035 4.674 4.640 -0.000 0.000 0.242 786 D C 0.692 177.015 176.300 0.039 0.000 1.132 786 D CA 0.114 54.134 54.000 0.034 0.000 0.907 786 D CB 0.408 41.225 40.800 0.027 0.000 1.195 786 D HN 0.316 nan 8.370 nan 0.000 0.429 787 N N 0.447 119.173 118.700 0.044 0.000 2.725 787 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 787 N C -0.956 174.595 175.510 0.069 0.000 1.031 787 N CA 0.849 53.930 53.050 0.052 0.000 0.720 787 N CB -1.138 37.371 38.487 0.038 0.000 0.930 787 N HN 0.286 nan 8.380 nan 0.000 0.543 788 T N 0.481 115.082 114.554 0.077 0.000 2.916 788 T HA 0.396 4.745 4.350 -0.000 0.000 0.298 788 T C -0.300 174.467 174.700 0.112 0.000 1.031 788 T CA -0.711 61.446 62.100 0.095 0.000 0.993 788 T CB 2.301 71.211 68.868 0.070 0.000 1.045 788 T HN 0.023 nan 8.240 nan 0.000 0.454 789 E N 2.435 122.731 120.200 0.159 0.000 2.199 789 E HA 0.422 4.771 4.350 -0.000 0.000 0.265 789 E C -0.735 175.983 176.600 0.196 0.000 0.882 789 E CA -0.920 55.574 56.400 0.156 0.000 0.759 789 E CB 1.878 31.653 29.700 0.125 0.000 1.148 789 E HN 0.310 nan 8.360 nan 0.000 0.412 790 I N 3.051 123.721 120.570 0.168 0.000 2.315 790 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 790 I C 0.010 176.265 176.117 0.229 0.000 1.006 790 I CA -0.631 60.780 61.300 0.186 0.000 1.265 790 I CB 1.246 39.342 38.000 0.160 0.000 1.387 790 I HN 0.288 nan 8.210 nan 0.000 0.475 791 V N 8.264 128.316 119.914 0.229 0.000 2.628 791 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 791 V C -0.299 175.843 176.094 0.079 0.000 1.045 791 V CA -0.801 61.623 62.300 0.207 0.000 0.905 791 V CB 2.262 34.264 31.823 0.298 0.000 0.997 791 V HN 0.766 nan 8.190 nan 0.000 0.436 792 M N 7.222 126.795 119.600 -0.046 0.000 2.129 792 M HA 0.553 5.032 4.480 -0.000 0.000 0.348 792 M C -0.515 175.669 176.300 -0.194 0.000 1.116 792 M CA -0.383 54.681 55.300 -0.393 0.000 1.022 792 M CB 0.518 32.850 32.600 -0.447 0.000 1.599 792 M HN 0.748 nan 8.290 nan 0.000 0.449 793 R N 4.628 125.012 120.500 -0.193 0.000 2.711 793 R HA 0.698 5.038 4.340 -0.000 0.000 0.284 793 R C -1.930 174.330 176.300 -0.067 0.000 0.968 793 R CA -0.641 55.408 56.100 -0.085 0.000 0.924 793 R CB 1.511 31.771 30.300 -0.066 0.000 1.162 793 R HN 0.800 nan 8.270 nan 0.000 0.465 794 L N 3.269 124.421 121.223 -0.118 0.000 2.296 794 L HA 0.420 4.760 4.340 -0.000 0.000 0.286 794 L C -0.528 176.257 176.870 -0.142 0.000 1.023 794 L CA -0.404 54.300 54.840 -0.228 0.000 0.812 794 L CB 1.911 43.778 42.059 -0.320 0.000 1.223 794 L HN 0.607 nan 8.230 nan 0.000 0.421 795 E N 2.191 122.318 120.200 -0.121 0.000 2.145 795 E HA 0.492 4.842 4.350 -0.000 0.000 0.270 795 E C -0.598 175.937 176.600 -0.109 0.000 0.906 795 E CA -0.507 55.839 56.400 -0.089 0.000 0.761 795 E CB 2.136 31.783 29.700 -0.088 0.000 1.116 795 E HN 0.608 nan 8.360 nan 0.000 0.408 796 T N -1.097 113.413 114.554 -0.074 0.000 2.831 796 T HA 0.336 4.686 4.350 -0.000 0.000 0.287 796 T C 0.138 174.882 174.700 0.073 0.000 1.070 796 T CA -0.703 61.339 62.100 -0.097 0.000 1.010 796 T CB 1.092 69.918 68.868 -0.070 0.000 1.264 796 T HN 0.589 nan 8.240 nan 0.000 0.532 797 H N -0.572 118.479 119.070 -0.033 0.000 2.542 797 H HA 0.404 4.960 4.556 -0.000 0.000 0.283 797 H C 0.144 175.465 175.328 -0.012 0.000 1.059 797 H CA -0.624 55.408 56.048 -0.026 0.000 1.162 797 H CB 0.089 29.837 29.762 -0.023 0.000 1.539 797 H HN 0.341 nan 8.280 nan 0.000 0.543 798 I N 2.034 122.658 120.570 0.089 0.000 2.741 798 I HA -0.146 4.023 4.170 -0.000 0.000 0.288 798 I C 0.616 176.770 176.117 0.062 0.000 1.192 798 I CA 0.401 61.738 61.300 0.062 0.000 1.426 798 I CB 0.368 38.396 38.000 0.047 0.000 1.367 798 I HN 0.206 nan 8.210 nan 0.000 0.563 799 D N 4.907 125.340 120.400 0.055 0.000 2.713 799 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 799 D C 1.243 177.578 176.300 0.058 0.000 1.136 799 D CA -0.030 53.998 54.000 0.047 0.000 1.010 799 D CB 0.299 41.120 40.800 0.036 0.000 1.084 799 D HN 0.556 nan 8.370 nan 0.000 0.495 800 S N 0.016 115.757 115.700 0.068 0.000 2.527 800 S HA 0.239 4.708 4.470 -0.000 0.000 0.222 800 S C 1.629 176.278 174.600 0.082 0.000 0.985 800 S CA 0.251 58.507 58.200 0.092 0.000 0.921 800 S CB -0.128 63.140 63.200 0.114 0.000 0.772 800 S HN 0.510 nan 8.310 nan 0.000 0.529 801 G N 3.283 112.119 108.800 0.060 0.000 2.574 801 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.301 801 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.301 801 G C 0.226 175.164 174.900 0.064 0.000 1.166 801 G CA 0.659 45.790 45.100 0.052 0.000 0.971 801 G HN 0.771 nan 8.290 nan 0.000 0.542 802 D N 0.179 120.622 120.400 0.072 0.000 2.440 802 D HA 0.348 4.988 4.640 -0.000 0.000 0.216 802 D C 0.677 177.058 176.300 0.134 0.000 1.150 802 D CA -0.212 53.847 54.000 0.099 0.000 0.832 802 D CB 0.270 41.114 40.800 0.073 0.000 0.992 802 D HN 0.444 nan 8.370 nan 0.000 0.502 803 I N 1.523 122.158 120.570 0.108 0.000 2.412 803 I HA 0.494 4.664 4.170 -0.000 0.000 0.296 803 I C -0.128 176.075 176.117 0.144 0.000 0.987 803 I CA -1.133 60.180 61.300 0.022 0.000 1.180 803 I CB 0.630 38.610 38.000 -0.034 0.000 1.340 803 I HN 0.009 nan 8.210 nan 0.000 0.455 804 F N 4.268 124.050 119.950 -0.280 0.000 2.745 804 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 804 F C -2.040 173.420 175.800 -0.567 0.000 1.155 804 F CA -1.166 56.691 58.000 -0.238 0.000 0.937 804 F CB 1.570 40.497 39.000 -0.121 0.000 1.361 804 F HN 0.168 nan 8.300 nan 0.000 0.472 805 Y N 0.190 120.276 120.300 -0.356 0.000 2.442 805 Y HA 0.669 5.219 4.550 -0.001 0.000 0.344 805 Y C -0.015 175.716 175.900 -0.281 0.000 0.976 805 Y CA -0.729 57.020 58.100 -0.584 0.000 1.040 805 Y CB 2.433 40.116 38.460 -1.295 0.000 1.228 805 Y HN 0.873 nan 8.280 nan 0.000 0.451 806 T N -1.342 113.146 114.554 -0.110 0.000 2.906 806 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 806 T C -1.069 173.464 174.700 -0.278 0.000 1.075 806 T CA -1.056 61.001 62.100 -0.072 0.000 1.005 806 T CB 2.042 70.842 68.868 -0.114 0.000 1.136 806 T HN 0.587 nan 8.240 nan 0.000 0.498 807 D N 1.041 121.129 120.400 -0.520 0.000 2.340 807 D HA 0.376 5.016 4.640 -0.000 0.000 0.251 807 D C -0.611 175.431 176.300 -0.431 0.000 1.080 807 D CA -0.810 52.692 54.000 -0.829 0.000 0.971 807 D CB 1.281 41.351 40.800 -1.217 0.000 1.137 807 D HN 0.561 nan 8.370 nan 0.000 0.475 808 L N 0.874 121.884 121.223 -0.356 0.000 2.316 808 L HA 0.224 4.564 4.340 -0.000 0.000 0.280 808 L C -0.142 176.607 176.870 -0.202 0.000 1.006 808 L CA -0.790 53.929 54.840 -0.202 0.000 0.836 808 L CB 0.472 42.477 42.059 -0.090 0.000 1.221 808 L HN 0.456 nan 8.230 nan 0.000 0.418 809 N N 2.108 120.697 118.700 -0.185 0.000 2.714 809 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 809 N C 0.989 176.292 175.510 -0.344 0.000 1.117 809 N CA 0.891 53.830 53.050 -0.185 0.000 0.719 809 N CB -1.073 37.382 38.487 -0.055 0.000 1.081 809 N HN 1.082 nan 8.380 nan 0.000 0.557 810 G N -1.639 106.958 108.800 -0.339 0.000 2.175 810 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.265 810 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.265 810 G C 0.638 175.514 174.900 -0.041 0.000 0.979 810 G CA 0.713 45.641 45.100 -0.288 0.000 0.663 810 G HN 0.483 nan 8.290 nan 0.000 0.533 811 L N -0.345 120.789 121.223 -0.149 0.000 2.467 811 L HA 0.498 4.838 4.340 -0.000 0.000 0.213 811 L C 0.989 177.740 176.870 -0.199 0.000 1.053 811 L CA 1.974 56.637 54.840 -0.296 0.000 0.847 811 L CB 0.150 41.879 42.059 -0.550 0.000 1.075 811 L HN 0.714 nan 8.230 nan 0.000 0.479 812 Q N -1.828 117.861 119.800 -0.185 0.000 2.522 812 Q HA 0.349 4.689 4.340 -0.000 0.000 0.285 812 Q C -1.709 174.172 176.000 -0.198 0.000 0.982 812 Q CA -0.733 55.027 55.803 -0.072 0.000 0.805 812 Q CB 1.074 29.823 28.738 0.018 0.000 1.457 812 Q HN -0.043 nan 8.270 nan 0.000 0.394 813 F N 1.322 121.236 119.950 -0.061 0.000 2.436 813 F HA 0.594 5.121 4.527 -0.001 0.000 0.340 813 F C -0.171 175.595 175.800 -0.058 0.000 1.113 813 F CA -0.826 57.147 58.000 -0.046 0.000 1.022 813 F CB 1.664 40.680 39.000 0.025 0.000 1.128 813 F HN 0.530 nan 8.300 nan 0.000 0.466 814 I N 3.788 124.366 120.570 0.014 0.000 2.441 814 I HA 0.329 4.499 4.170 -0.000 0.000 0.295 814 I C -0.446 175.538 176.117 -0.222 0.000 0.994 814 I CA -0.880 60.375 61.300 -0.076 0.000 1.144 814 I CB 1.258 39.167 38.000 -0.151 0.000 1.314 814 I HN 0.505 nan 8.210 nan 0.000 0.445 815 K N 6.748 126.969 120.400 -0.298 0.000 2.368 815 K HA 0.255 4.575 4.320 -0.000 0.000 0.282 815 K C -0.838 175.329 176.600 -0.722 0.000 1.035 815 K CA -0.371 55.474 56.287 -0.737 0.000 0.973 815 K CB 0.506 32.707 32.500 -0.500 0.000 0.957 815 K HN 0.496 nan 8.250 nan 0.000 0.474 816 R N 3.311 123.209 120.500 -1.004 0.000 2.664 816 R HA 0.351 4.691 4.340 -0.000 0.000 0.286 816 R C -0.498 175.333 176.300 -0.782 0.000 0.967 816 R CA -0.775 54.667 56.100 -1.098 0.000 0.933 816 R CB 1.525 30.647 30.300 -1.963 0.000 1.146 816 R HN 0.658 nan 8.270 nan 0.000 0.468 817 R N 1.530 121.772 120.500 -0.430 0.000 2.476 817 R HA 0.277 4.617 4.340 -0.000 0.000 0.305 817 R C -0.468 175.877 176.300 0.076 0.000 0.965 817 R CA -0.669 55.352 56.100 -0.132 0.000 0.867 817 R CB 1.509 31.768 30.300 -0.068 0.000 1.176 817 R HN 0.535 nan 8.270 nan 0.000 0.447 818 R N 4.894 125.537 120.500 0.239 0.000 2.522 818 R HA 0.087 4.427 4.340 -0.000 0.000 0.284 818 R C -0.968 175.415 176.300 0.139 0.000 1.032 818 R CA 0.332 56.602 56.100 0.283 0.000 1.049 818 R CB 0.362 30.812 30.300 0.251 0.000 0.956 818 R HN 0.539 nan 8.270 nan 0.000 0.422 819 L N 5.132 126.415 121.223 0.100 0.000 2.342 819 L HA 0.214 4.554 4.340 -0.000 0.000 0.276 819 L C 0.222 177.085 176.870 -0.010 0.000 0.997 819 L CA -0.694 54.163 54.840 0.027 0.000 0.838 819 L CB 1.954 43.999 42.059 -0.024 0.000 1.224 819 L HN 0.649 nan 8.230 nan 0.000 0.416 820 D N 1.654 122.055 120.400 0.002 0.000 2.350 820 D HA -0.129 4.510 4.640 -0.000 0.000 0.216 820 D C 1.724 178.007 176.300 -0.028 0.000 0.968 820 D CA 0.867 54.862 54.000 -0.008 0.000 0.894 820 D CB 0.341 41.145 40.800 0.007 0.000 0.909 820 D HN 0.563 nan 8.370 nan 0.000 0.520 821 K N 0.244 120.620 120.400 -0.040 0.000 2.432 821 K HA 0.006 4.326 4.320 -0.000 0.000 0.196 821 K C 0.699 177.241 176.600 -0.098 0.000 1.038 821 K CA 0.352 56.612 56.287 -0.046 0.000 0.986 821 K CB 0.298 32.784 32.500 -0.023 0.000 0.782 821 K HN 0.110 nan 8.250 nan 0.000 0.485 822 L N 2.328 123.454 121.223 -0.160 0.000 2.334 822 L HA 0.460 4.799 4.340 -0.000 0.000 0.272 822 L C -2.223 174.546 176.870 -0.170 0.000 1.020 822 L CA -2.894 51.812 54.840 -0.223 0.000 0.812 822 L CB 1.381 43.207 42.059 -0.387 0.000 1.264 822 L HN -0.044 nan 8.230 nan 0.000 0.439 823 P HA 0.035 nan 4.420 nan 0.000 0.272 823 P C 0.847 178.025 177.300 -0.203 0.000 1.240 823 P CA -0.415 62.592 63.100 -0.155 0.000 0.791 823 P CB 1.285 32.920 31.700 -0.109 0.000 0.978 824 L N 0.878 122.011 121.223 -0.151 0.000 2.021 824 L HA -0.279 4.060 4.340 -0.000 0.000 0.215 824 L C 2.503 179.290 176.870 -0.139 0.000 1.074 824 L CA 1.948 56.724 54.840 -0.108 0.000 0.760 824 L CB -0.639 41.357 42.059 -0.105 0.000 0.889 824 L HN 0.432 nan 8.230 nan 0.000 0.433 825 Q N -0.342 119.270 119.800 -0.314 0.000 2.291 825 Q HA -0.158 4.182 4.340 -0.000 0.000 0.205 825 Q C 1.879 177.780 176.000 -0.166 0.000 0.970 825 Q CA 1.450 57.098 55.803 -0.259 0.000 0.876 825 Q CB -0.507 28.002 28.738 -0.382 0.000 0.935 825 Q HN 0.609 nan 8.270 nan 0.000 0.455 826 A N 1.546 124.056 122.820 -0.517 0.000 2.066 826 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 826 A C 1.664 179.070 177.584 -0.296 0.000 1.157 826 A CA 0.817 52.405 52.037 -0.748 0.000 0.670 826 A CB -0.207 18.035 19.000 -1.264 0.000 0.804 826 A HN 0.348 nan 8.150 nan 0.000 0.453 827 N N -1.188 117.450 118.700 -0.105 0.000 2.398 827 N HA 0.047 4.787 4.740 -0.000 0.000 0.188 827 N C -0.801 174.805 175.510 0.161 0.000 1.122 827 N CA 0.195 53.299 53.050 0.089 0.000 0.866 827 N CB 0.037 38.624 38.487 0.165 0.000 0.970 827 N HN 0.455 nan 8.380 nan 0.000 0.462 828 Y N 0.335 120.601 120.300 -0.057 0.000 2.319 828 Y HA 0.179 4.729 4.550 -0.001 0.000 0.328 828 Y C -0.122 175.728 175.900 -0.084 0.000 1.133 828 Y CA -0.060 58.085 58.100 0.075 0.000 1.265 828 Y CB 0.341 38.916 38.460 0.192 0.000 1.218 828 Y HN -0.063 nan 8.280 nan 0.000 0.508 829 Y N 3.191 123.635 120.300 0.240 0.000 2.605 829 Y HA 0.450 5.000 4.550 -0.001 0.000 0.343 829 Y C -2.275 173.333 175.900 -0.486 0.000 1.036 829 Y CA -2.904 55.184 58.100 -0.021 0.000 1.065 829 Y CB 1.507 39.950 38.460 -0.028 0.000 1.288 829 Y HN 0.443 nan 8.280 nan 0.000 0.481 830 P HA 0.115 nan 4.420 nan 0.000 0.271 830 P C -0.652 176.415 177.300 -0.388 0.000 1.216 830 P CA 0.220 62.756 63.100 -0.939 0.000 0.776 830 P CB 0.579 31.619 31.700 -1.100 0.000 0.881 831 I N 4.636 125.059 120.570 -0.245 0.000 2.778 831 I HA 0.172 4.342 4.170 -0.000 0.000 0.285 831 I C -1.750 174.302 176.117 -0.108 0.000 1.236 831 I CA -2.451 58.777 61.300 -0.120 0.000 1.089 831 I CB 0.694 38.679 38.000 -0.025 0.000 1.601 831 I HN 0.196 nan 8.210 nan 0.000 0.573 832 P HA -0.051 nan 4.420 nan 0.000 0.221 832 P C 1.086 178.360 177.300 -0.043 0.000 1.150 832 P CA 1.202 64.234 63.100 -0.112 0.000 0.800 832 P CB 0.579 32.183 31.700 -0.159 0.000 0.787 833 S N -3.501 112.179 115.700 -0.034 0.000 2.551 833 S HA 0.464 4.934 4.470 -0.000 0.000 0.276 833 S C 0.539 175.230 174.600 0.151 0.000 1.051 833 S CA 0.337 58.574 58.200 0.062 0.000 1.377 833 S CB 0.253 63.511 63.200 0.096 0.000 1.208 833 S HN 0.318 nan 8.310 nan 0.000 0.656 834 G N 1.558 110.454 108.800 0.159 0.000 2.466 834 G HA2 0.556 4.516 3.960 -0.000 0.000 0.291 834 G HA3 0.556 4.516 3.960 -0.000 0.000 0.291 834 G C -1.464 173.683 174.900 0.412 0.000 1.460 834 G CA -0.440 44.878 45.100 0.362 0.000 0.791 834 G HN 0.884 nan 8.290 nan 0.000 0.505 835 M N -0.592 119.270 119.600 0.437 0.000 2.578 835 M HA 0.895 5.375 4.480 -0.000 0.000 0.276 835 M C -1.714 174.828 176.300 0.403 0.000 1.245 835 M CA -1.022 54.497 55.300 0.365 0.000 0.871 835 M CB 2.540 35.267 32.600 0.211 0.000 1.722 835 M HN 1.173 nan 8.290 nan 0.000 0.473 836 F N 0.834 120.928 119.950 0.241 0.000 2.668 836 F HA 0.898 5.425 4.527 -0.001 0.000 0.309 836 F C -1.744 174.190 175.800 0.224 0.000 1.117 836 F CA -1.208 56.875 58.000 0.138 0.000 0.951 836 F CB 1.092 40.089 39.000 -0.005 0.000 1.323 836 F HN 0.786 nan 8.300 nan 0.000 0.451 837 I N -0.177 120.632 120.570 0.398 0.000 2.785 837 I HA 0.896 5.066 4.170 -0.000 0.000 0.302 837 I C -1.353 174.948 176.117 0.307 0.000 1.069 837 I CA -0.882 60.615 61.300 0.328 0.000 1.045 837 I CB 2.399 40.507 38.000 0.180 0.000 1.236 837 I HN 0.957 nan 8.210 nan 0.000 0.429 838 E N 1.990 122.353 120.200 0.272 0.000 2.423 838 E HA 0.533 4.882 4.350 -0.000 0.000 0.280 838 E C -2.062 174.621 176.600 0.137 0.000 1.030 838 E CA -0.837 55.666 56.400 0.172 0.000 0.812 838 E CB 2.224 32.014 29.700 0.150 0.000 1.313 838 E HN 0.744 nan 8.360 nan 0.000 0.456 839 D N 0.529 120.979 120.400 0.084 0.000 2.784 839 D HA 0.458 5.098 4.640 -0.000 0.000 0.256 839 D C 0.890 177.218 176.300 0.047 0.000 1.129 839 D CA -0.176 53.865 54.000 0.068 0.000 1.102 839 D CB 0.134 40.967 40.800 0.054 0.000 1.330 839 D HN 0.454 nan 8.370 nan 0.000 0.626 840 A N -0.670 122.171 122.820 0.036 0.000 1.978 840 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 840 A C 1.520 179.108 177.584 0.008 0.000 1.170 840 A CA 1.600 53.650 52.037 0.022 0.000 0.636 840 A CB -0.710 18.302 19.000 0.020 0.000 0.810 840 A HN 0.529 nan 8.150 nan 0.000 0.448 841 N N -1.875 116.829 118.700 0.006 0.000 2.397 841 N HA 0.073 4.812 4.740 -0.000 0.000 0.190 841 N C -0.421 175.079 175.510 -0.016 0.000 1.099 841 N CA 0.750 53.796 53.050 -0.006 0.000 0.876 841 N CB 0.659 39.145 38.487 -0.003 0.000 1.143 841 N HN 0.308 nan 8.380 nan 0.000 0.468 842 T N 0.585 115.134 114.554 -0.008 0.000 2.893 842 T HA 0.452 4.802 4.350 -0.000 0.000 0.293 842 T C -0.591 174.101 174.700 -0.013 0.000 1.027 842 T CA -0.648 61.441 62.100 -0.018 0.000 0.988 842 T CB 2.872 71.734 68.868 -0.009 0.000 1.043 842 T HN -0.042 nan 8.240 nan 0.000 0.461 843 R N 1.899 122.375 120.500 -0.041 0.000 2.686 843 R HA 0.730 5.070 4.340 -0.000 0.000 0.286 843 R C -1.938 174.339 176.300 -0.039 0.000 0.969 843 R CA -0.906 55.170 56.100 -0.040 0.000 0.898 843 R CB 1.304 31.516 30.300 -0.147 0.000 1.183 843 R HN 0.456 nan 8.270 nan 0.000 0.456 844 L N 2.651 123.880 121.223 0.009 0.000 2.349 844 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 844 L C -1.300 175.608 176.870 0.063 0.000 0.996 844 L CA 0.081 54.923 54.840 0.003 0.000 0.825 844 L CB 2.233 44.282 42.059 -0.015 0.000 1.243 844 L HN 0.641 nan 8.230 nan 0.000 0.412 845 T N 5.653 120.225 114.554 0.030 0.000 2.807 845 T HA 0.549 4.899 4.350 -0.000 0.000 0.279 845 T C -0.996 173.768 174.700 0.107 0.000 0.993 845 T CA -0.282 61.874 62.100 0.093 0.000 0.970 845 T CB 1.409 70.261 68.868 -0.026 0.000 0.950 845 T HN 0.445 nan 8.240 nan 0.000 0.441 846 L N 5.129 126.451 121.223 0.166 0.000 2.294 846 L HA 0.515 4.855 4.340 -0.000 0.000 0.283 846 L C -1.239 175.778 176.870 0.245 0.000 1.015 846 L CA -0.704 54.246 54.840 0.184 0.000 0.831 846 L CB 0.479 42.627 42.059 0.149 0.000 1.217 846 L HN 0.417 nan 8.230 nan 0.000 0.420 847 L N 3.921 125.291 121.223 0.244 0.000 2.325 847 L HA 0.615 4.954 4.340 -0.000 0.000 0.279 847 L C 0.557 177.578 176.870 0.251 0.000 1.054 847 L CA -0.247 54.736 54.840 0.238 0.000 0.804 847 L CB 1.326 43.494 42.059 0.182 0.000 1.200 847 L HN 0.746 nan 8.230 nan 0.000 0.436 848 T N -2.190 112.467 114.554 0.171 0.000 2.912 848 T HA 0.612 4.962 4.350 -0.000 0.000 0.288 848 T C 0.717 175.389 174.700 -0.047 0.000 1.030 848 T CA -0.291 61.830 62.100 0.035 0.000 1.020 848 T CB 1.945 70.839 68.868 0.042 0.000 1.056 848 T HN 0.680 nan 8.240 nan 0.000 0.480 849 G N 1.244 109.941 108.800 -0.172 0.000 3.284 849 G HA2 0.407 4.367 3.960 -0.000 0.000 0.236 849 G HA3 0.407 4.367 3.960 -0.000 0.000 0.236 849 G C 0.183 175.020 174.900 -0.105 0.000 1.158 849 G CA -0.303 44.725 45.100 -0.120 0.000 0.774 849 G HN 0.965 nan 8.290 nan 0.000 0.545 850 Q N -0.182 119.552 119.800 -0.110 0.000 2.479 850 Q HA 0.305 4.645 4.340 -0.000 0.000 0.276 850 Q C -3.540 172.424 176.000 -0.060 0.000 0.989 850 Q CA -2.247 53.514 55.803 -0.070 0.000 0.864 850 Q CB 1.865 30.573 28.738 -0.050 0.000 1.444 850 Q HN -0.005 nan 8.270 nan 0.000 0.388 851 P HA 0.471 nan 4.420 nan 0.000 0.281 851 P C -0.709 176.580 177.300 -0.019 0.000 1.252 851 P CA -0.167 62.917 63.100 -0.026 0.000 0.778 851 P CB 1.007 32.698 31.700 -0.014 0.000 0.895 852 L N 1.584 122.792 121.223 -0.024 0.000 2.491 852 L HA 0.664 5.004 4.340 -0.000 0.000 0.254 852 L C 0.718 177.609 176.870 0.036 0.000 1.048 852 L CA -1.133 53.715 54.840 0.014 0.000 0.855 852 L CB 2.115 44.167 42.059 -0.011 0.000 1.466 852 L HN 0.345 nan 8.230 nan 0.000 0.409 853 G N -0.907 107.970 108.800 0.128 0.000 2.448 853 G HA2 0.680 4.640 3.960 -0.000 0.000 0.285 853 G HA3 0.680 4.640 3.960 -0.000 0.000 0.285 853 G C -0.485 174.447 174.900 0.053 0.000 1.176 853 G CA 0.105 45.336 45.100 0.218 0.000 0.852 853 G HN 0.876 nan 8.290 nan 0.000 0.530 854 G N -1.417 107.226 108.800 -0.263 0.000 2.550 854 G HA2 0.671 4.631 3.960 -0.000 0.000 0.293 854 G HA3 0.671 4.631 3.960 -0.000 0.000 0.293 854 G C -1.194 173.260 174.900 -0.743 0.000 1.402 854 G CA 0.419 45.166 45.100 -0.589 0.000 0.784 854 G HN 1.255 nan 8.290 nan 0.000 0.482 855 S N -1.867 113.460 115.700 -0.622 0.000 2.703 855 S HA 0.733 5.202 4.470 -0.000 0.000 0.273 855 S C -1.523 172.634 174.600 -0.737 0.000 1.178 855 S CA 0.303 58.149 58.200 -0.590 0.000 0.838 855 S CB 1.347 64.273 63.200 -0.456 0.000 1.178 855 S HN 1.529 nan 8.310 nan 0.000 0.494 856 S N 1.629 116.603 115.700 -1.211 0.000 2.718 856 S HA 0.486 4.956 4.470 -0.000 0.000 0.294 856 S C 0.174 174.525 174.600 -0.414 0.000 1.157 856 S CA -0.636 57.116 58.200 -0.747 0.000 1.121 856 S CB -0.020 62.685 63.200 -0.824 0.000 1.015 856 S HN 0.577 nan 8.310 nan 0.000 0.479 857 L N 3.151 124.270 121.223 -0.173 0.000 2.558 857 L HA 0.481 4.821 4.340 -0.000 0.000 0.225 857 L C 0.871 177.730 176.870 -0.019 0.000 1.128 857 L CA 0.263 55.079 54.840 -0.040 0.000 0.868 857 L CB 0.004 42.096 42.059 0.055 0.000 1.006 857 L HN 0.695 nan 8.230 nan 0.000 0.454 858 A N -1.205 121.591 122.820 -0.039 0.000 2.604 858 A HA 0.456 4.775 4.320 -0.000 0.000 0.295 858 A C -0.441 177.134 177.584 -0.016 0.000 1.067 858 A CA -0.443 51.585 52.037 -0.014 0.000 0.683 858 A CB 1.230 20.225 19.000 -0.008 0.000 1.281 858 A HN -0.138 nan 8.150 nan 0.000 0.407 859 S N 0.002 115.705 115.700 0.005 0.000 2.563 859 S HA 0.392 4.862 4.470 -0.000 0.000 0.294 859 S C 1.492 176.101 174.600 0.015 0.000 1.279 859 S CA 1.866 60.076 58.200 0.018 0.000 1.069 859 S CB -0.165 63.048 63.200 0.021 0.000 0.828 859 S HN 2.659 nan 8.310 nan 0.000 0.497 860 G N 3.425 112.239 108.800 0.024 0.000 2.179 860 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 860 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 860 G C -0.185 174.710 174.900 -0.007 0.000 0.977 860 G CA 0.467 45.583 45.100 0.026 0.000 0.641 860 G HN 0.722 nan 8.290 nan 0.000 0.533 861 E N -0.634 119.546 120.200 -0.033 0.000 2.212 861 E HA 0.773 5.122 4.350 -0.000 0.000 0.270 861 E C -0.187 176.354 176.600 -0.098 0.000 0.956 861 E CA -0.782 55.580 56.400 -0.065 0.000 0.825 861 E CB 1.815 31.476 29.700 -0.066 0.000 1.167 861 E HN 0.233 nan 8.360 nan 0.000 0.400 862 L N 1.670 122.832 121.223 -0.102 0.000 2.388 862 L HA 0.480 4.820 4.340 -0.000 0.000 0.264 862 L C -0.603 176.205 176.870 -0.103 0.000 0.998 862 L CA -0.636 54.134 54.840 -0.116 0.000 0.817 862 L CB 2.010 44.031 42.059 -0.062 0.000 1.338 862 L HN 0.657 nan 8.230 nan 0.000 0.414 863 E N 2.921 123.051 120.200 -0.117 0.000 2.366 863 E HA 0.703 5.052 4.350 -0.000 0.000 0.278 863 E C -1.581 174.978 176.600 -0.068 0.000 0.923 863 E CA -0.837 55.528 56.400 -0.057 0.000 0.761 863 E CB 3.348 33.060 29.700 0.020 0.000 1.231 863 E HN 0.537 nan 8.360 nan 0.000 0.443 864 I N 2.282 122.853 120.570 0.002 0.000 2.571 864 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 864 I C -1.414 174.773 176.117 0.117 0.000 1.115 864 I CA -1.113 60.208 61.300 0.035 0.000 1.045 864 I CB 1.947 39.971 38.000 0.040 0.000 1.238 864 I HN 0.776 nan 8.210 nan 0.000 0.424 865 M N 6.374 126.078 119.600 0.173 0.000 2.228 865 M HA 0.220 4.700 4.480 -0.000 0.000 0.351 865 M C 0.599 176.999 176.300 0.166 0.000 1.233 865 M CA 0.592 56.002 55.300 0.182 0.000 1.129 865 M CB 0.933 33.614 32.600 0.136 0.000 1.604 865 M HN 0.569 nan 8.290 nan 0.000 0.457 866 Q N 1.498 121.429 119.800 0.218 0.000 2.287 866 Q HA 0.246 4.586 4.340 -0.000 0.000 0.201 866 Q C -0.238 175.966 176.000 0.340 0.000 0.946 866 Q CA 0.850 56.847 55.803 0.322 0.000 0.868 866 Q CB 0.352 29.310 28.738 0.366 0.000 0.967 866 Q HN 0.758 nan 8.270 nan 0.000 0.516 867 D N -0.927 119.606 120.400 0.222 0.000 2.671 867 D HA 0.294 4.933 4.640 -0.000 0.000 0.273 867 D C -1.430 174.941 176.300 0.118 0.000 1.264 867 D CA -0.500 53.606 54.000 0.178 0.000 0.788 867 D CB 1.492 42.388 40.800 0.160 0.000 1.324 867 D HN 0.041 nan 8.370 nan 0.000 0.424 868 R N 0.848 121.406 120.500 0.098 0.000 2.584 868 R HA 0.687 5.026 4.340 -0.000 0.000 0.276 868 R C -1.083 175.262 176.300 0.075 0.000 1.046 868 R CA -1.047 55.096 56.100 0.071 0.000 0.906 868 R CB 2.112 32.427 30.300 0.026 0.000 1.215 868 R HN 0.314 nan 8.270 nan 0.000 0.449 869 R N 3.774 124.316 120.500 0.069 0.000 2.483 869 R HA 0.465 4.804 4.340 -0.000 0.000 0.303 869 R C -1.534 174.801 176.300 0.058 0.000 0.987 869 R CA -0.577 55.561 56.100 0.063 0.000 0.881 869 R CB 1.253 31.586 30.300 0.056 0.000 1.177 869 R HN 0.713 nan 8.270 nan 0.000 0.451 870 L N 3.925 125.180 121.223 0.054 0.000 2.406 870 L HA 0.507 4.846 4.340 -0.000 0.000 0.272 870 L C 0.719 177.615 176.870 0.043 0.000 0.980 870 L CA -0.511 54.359 54.840 0.050 0.000 0.831 870 L CB 2.153 44.243 42.059 0.053 0.000 1.253 870 L HN 0.787 nan 8.230 nan 0.000 0.406 871 A N 1.561 124.402 122.820 0.036 0.000 2.067 871 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 871 A C 0.964 178.564 177.584 0.028 0.000 1.156 871 A CA 0.718 52.773 52.037 0.030 0.000 0.683 871 A CB -0.006 19.008 19.000 0.023 0.000 0.808 871 A HN 0.607 nan 8.150 nan 0.000 0.455 872 S N -0.055 115.662 115.700 0.028 0.000 2.608 872 S HA 0.407 4.877 4.470 -0.000 0.000 0.291 872 S C -0.603 174.017 174.600 0.033 0.000 1.146 872 S CA -0.655 57.560 58.200 0.025 0.000 1.043 872 S CB 1.449 64.659 63.200 0.017 0.000 1.037 872 S HN 0.481 nan 8.310 nan 0.000 0.520 873 D N 0.472 120.891 120.400 0.031 0.000 2.341 873 D HA 0.194 4.834 4.640 -0.000 0.000 0.245 873 D C -0.083 176.235 176.300 0.030 0.000 1.106 873 D CA -0.330 53.696 54.000 0.043 0.000 0.905 873 D CB 0.656 41.478 40.800 0.038 0.000 1.202 873 D HN 0.507 nan 8.370 nan 0.000 0.426 874 D N 2.017 122.439 120.400 0.037 0.000 2.525 874 D HA 0.072 4.712 4.640 -0.000 0.000 0.229 874 D C -0.336 175.926 176.300 -0.064 0.000 1.202 874 D CA -0.290 53.700 54.000 -0.016 0.000 0.828 874 D CB -0.409 40.373 40.800 -0.029 0.000 1.008 874 D HN 0.689 nan 8.370 nan 0.000 0.493 875 E N -0.387 119.799 120.200 -0.024 0.000 2.868 875 E HA -0.204 4.145 4.350 -0.000 0.000 0.278 875 E C 0.232 176.796 176.600 -0.061 0.000 1.009 875 E CA 0.223 56.606 56.400 -0.029 0.000 0.856 875 E CB -0.695 28.986 29.700 -0.031 0.000 1.428 875 E HN 0.190 nan 8.360 nan 0.000 0.423 876 R N -0.605 119.828 120.500 -0.111 0.000 2.543 876 R HA 0.236 4.575 4.340 -0.000 0.000 0.323 876 R C 1.329 177.693 176.300 0.106 0.000 1.002 876 R CA 0.670 56.633 56.100 -0.227 0.000 1.106 876 R CB 0.999 30.718 30.300 -0.969 0.000 1.280 876 R HN 0.387 nan 8.270 nan 0.000 0.549 877 G N 0.822 109.750 108.800 0.213 0.000 2.195 877 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.224 877 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.224 877 G C 0.730 175.698 174.900 0.112 0.000 0.990 877 G CA 0.248 45.532 45.100 0.307 0.000 0.639 877 G HN 0.300 nan 8.290 nan 0.000 0.514 878 L N 1.401 122.789 121.223 0.275 0.000 2.109 878 L HA 0.470 4.810 4.340 -0.000 0.000 0.207 878 L C 2.169 179.021 176.870 -0.029 0.000 1.086 878 L CA 2.637 57.537 54.840 0.100 0.000 0.760 878 L CB -0.564 41.718 42.059 0.372 0.000 0.910 878 L HN 1.692 nan 8.230 nan 0.000 0.437 879 G N -0.271 108.544 108.800 0.024 0.000 2.176 879 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 879 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 879 G C 0.043 174.949 174.900 0.010 0.000 1.024 879 G CA 0.633 45.732 45.100 -0.000 0.000 0.755 879 G HN 0.796 nan 8.290 nan 0.000 0.507 880 Q N -2.028 117.793 119.800 0.035 0.000 2.633 880 Q HA 0.670 5.010 4.340 -0.000 0.000 0.289 880 Q C 0.411 176.442 176.000 0.051 0.000 0.940 880 Q CA -0.622 55.202 55.803 0.036 0.000 0.785 880 Q CB 0.431 29.189 28.738 0.033 0.000 1.467 880 Q HN 0.977 nan 8.270 nan 0.000 0.401 881 G N 0.051 108.877 108.800 0.044 0.000 2.489 881 G HA2 0.472 4.432 3.960 -0.000 0.000 0.271 881 G HA3 0.472 4.432 3.960 -0.000 0.000 0.271 881 G C -0.858 174.074 174.900 0.054 0.000 1.427 881 G CA -0.597 44.532 45.100 0.048 0.000 1.057 881 G HN 0.411 nan 8.290 nan 0.000 0.532 882 V N 0.869 120.816 119.914 0.055 0.000 2.266 882 V HA 0.327 4.447 4.120 -0.000 0.000 0.271 882 V C 0.150 176.281 176.094 0.062 0.000 1.032 882 V CA -0.135 62.204 62.300 0.065 0.000 0.806 882 V CB 0.774 32.639 31.823 0.071 0.000 1.052 882 V HN 0.544 nan 8.190 nan 0.000 0.449 883 L N 3.148 124.406 121.223 0.058 0.000 3.229 883 L HA 0.326 4.666 4.340 -0.000 0.000 0.286 883 L C 0.580 177.480 176.870 0.049 0.000 1.239 883 L CA 0.031 54.900 54.840 0.049 0.000 1.035 883 L CB 0.710 42.793 42.059 0.039 0.000 1.408 883 L HN 0.653 nan 8.230 nan 0.000 0.593 884 D N -2.046 118.392 120.400 0.063 0.000 2.559 884 D HA 0.052 4.692 4.640 -0.000 0.000 0.234 884 D C 0.158 176.499 176.300 0.069 0.000 1.226 884 D CA -0.422 53.616 54.000 0.063 0.000 0.830 884 D CB -0.226 40.620 40.800 0.077 0.000 1.028 884 D HN 0.049 nan 8.370 nan 0.000 0.492 885 N N 1.974 120.712 118.700 0.064 0.000 2.395 885 N HA 0.039 4.779 4.740 -0.000 0.000 0.246 885 N C 0.343 175.861 175.510 0.014 0.000 1.246 885 N CA 0.650 53.736 53.050 0.060 0.000 0.879 885 N CB 0.909 39.429 38.487 0.055 0.000 1.098 885 N HN 0.430 nan 8.380 nan 0.000 0.444 886 K N -0.062 120.330 120.400 -0.013 0.000 2.536 886 K HA 0.520 4.840 4.320 -0.000 0.000 0.269 886 K C -3.269 173.297 176.600 -0.058 0.000 0.965 886 K CA -1.855 54.381 56.287 -0.085 0.000 0.860 886 K CB 1.268 33.633 32.500 -0.225 0.000 1.423 886 K HN 0.078 nan 8.250 nan 0.000 0.438 887 P HA -0.012 nan 4.420 nan 0.000 0.265 887 P C -1.010 176.300 177.300 0.016 0.000 1.193 887 P CA -0.421 62.650 63.100 -0.048 0.000 0.765 887 P CB 0.741 32.401 31.700 -0.067 0.000 0.823 888 V N 5.070 124.960 119.914 -0.040 0.000 2.841 888 V HA 0.467 4.587 4.120 -0.000 0.000 0.310 888 V C -1.294 174.664 176.094 -0.227 0.000 1.090 888 V CA -1.097 61.153 62.300 -0.082 0.000 0.930 888 V CB 2.131 33.880 31.823 -0.123 0.000 1.014 888 V HN 0.278 nan 8.190 nan 0.000 0.425 889 L N 6.935 128.050 121.223 -0.180 0.000 2.272 889 L HA 0.585 4.925 4.340 -0.000 0.000 0.284 889 L C -0.360 176.477 176.870 -0.055 0.000 1.045 889 L CA 0.110 54.879 54.840 -0.119 0.000 0.842 889 L CB 0.287 42.297 42.059 -0.082 0.000 1.224 889 L HN 0.690 nan 8.230 nan 0.000 0.430 890 H N 5.659 124.735 119.070 0.010 0.000 2.610 890 H HA 0.467 5.023 4.556 -0.000 0.000 0.336 890 H C -0.064 175.157 175.328 -0.179 0.000 1.087 890 H CA -0.175 55.825 56.048 -0.081 0.000 1.405 890 H CB 1.174 30.955 29.762 0.031 0.000 1.460 890 H HN 0.687 nan 8.280 nan 0.000 0.538 891 I N 0.275 120.672 120.570 -0.288 0.000 2.785 891 I HA 0.622 4.792 4.170 -0.000 0.000 0.302 891 I C -1.420 174.350 176.117 -0.578 0.000 1.069 891 I CA -0.954 60.194 61.300 -0.254 0.000 1.045 891 I CB 2.163 40.108 38.000 -0.093 0.000 1.236 891 I HN 0.244 nan 8.210 nan 0.000 0.429 892 Y N 2.325 122.673 120.300 0.080 0.000 2.638 892 Y HA 0.682 5.232 4.550 -0.001 0.000 0.335 892 Y C -0.674 175.280 175.900 0.089 0.000 1.155 892 Y CA -1.088 57.068 58.100 0.093 0.000 1.046 892 Y CB 1.573 40.109 38.460 0.127 0.000 1.303 892 Y HN 0.419 nan 8.280 nan 0.000 0.460 893 R N 1.421 122.082 120.500 0.268 0.000 2.686 893 R HA 0.609 4.949 4.340 -0.000 0.000 0.286 893 R C -1.925 174.489 176.300 0.190 0.000 0.969 893 R CA -1.133 55.080 56.100 0.188 0.000 0.898 893 R CB 2.668 33.039 30.300 0.119 0.000 1.183 893 R HN 0.646 nan 8.270 nan 0.000 0.456 894 L N 2.556 123.872 121.223 0.155 0.000 2.319 894 L HA 0.429 4.769 4.340 -0.000 0.000 0.281 894 L C -1.191 175.711 176.870 0.054 0.000 1.005 894 L CA -0.565 54.343 54.840 0.113 0.000 0.828 894 L CB 1.824 43.964 42.059 0.135 0.000 1.227 894 L HN 0.313 nan 8.230 nan 0.000 0.415 895 V N 6.298 126.227 119.914 0.026 0.000 2.326 895 V HA 0.389 4.508 4.120 -0.000 0.000 0.281 895 V C -0.329 175.743 176.094 -0.037 0.000 1.015 895 V CA -0.576 61.720 62.300 -0.008 0.000 0.823 895 V CB 1.365 33.177 31.823 -0.018 0.000 1.009 895 V HN 0.628 nan 8.190 nan 0.000 0.436 896 L N 5.593 126.791 121.223 -0.043 0.000 2.275 896 L HA 0.678 5.017 4.340 -0.000 0.000 0.288 896 L C -0.104 176.730 176.870 -0.060 0.000 1.046 896 L CA 0.676 55.482 54.840 -0.056 0.000 0.805 896 L CB 1.018 43.041 42.059 -0.060 0.000 1.193 896 L HN 0.745 nan 8.230 nan 0.000 0.426 897 E N 3.502 123.659 120.200 -0.071 0.000 2.383 897 E HA 0.454 4.804 4.350 -0.000 0.000 0.275 897 E C -1.306 175.251 176.600 -0.071 0.000 0.918 897 E CA -1.198 55.157 56.400 -0.076 0.000 0.764 897 E CB 1.375 31.015 29.700 -0.100 0.000 1.252 897 E HN 0.201 nan 8.360 nan 0.000 0.449 898 K N 1.348 121.710 120.400 -0.064 0.000 2.234 898 K HA 0.207 4.527 4.320 -0.000 0.000 0.282 898 K C 0.345 176.904 176.600 -0.068 0.000 1.039 898 K CA -0.237 56.016 56.287 -0.056 0.000 0.928 898 K CB 1.245 33.717 32.500 -0.047 0.000 1.039 898 K HN 0.504 nan 8.250 nan 0.000 0.470 899 V N -0.385 119.490 119.914 -0.066 0.000 3.346 899 V HA 0.035 4.154 4.120 -0.000 0.000 0.309 899 V C 1.140 177.201 176.094 -0.054 0.000 1.457 899 V CA -0.267 61.987 62.300 -0.077 0.000 1.069 899 V CB -0.245 31.517 31.823 -0.102 0.000 0.944 899 V HN 0.609 nan 8.190 nan 0.000 0.449 900 N N 1.421 120.098 118.700 -0.039 0.000 2.364 900 N HA -0.175 4.564 4.740 -0.000 0.000 0.183 900 N C 1.037 176.528 175.510 -0.030 0.000 1.022 900 N CA 1.606 54.639 53.050 -0.028 0.000 0.883 900 N CB -0.508 37.967 38.487 -0.021 0.000 0.965 900 N HN 0.550 nan 8.380 nan 0.000 0.438 901 N N 0.004 118.682 118.700 -0.038 0.000 2.280 901 N HA 0.074 4.814 4.740 -0.000 0.000 0.192 901 N C -0.286 175.197 175.510 -0.046 0.000 1.109 901 N CA -0.112 52.915 53.050 -0.038 0.000 0.855 901 N CB 0.194 38.658 38.487 -0.038 0.000 0.974 901 N HN 0.197 nan 8.380 nan 0.000 0.482 902 c N 1.435 120.001 118.600 -0.056 0.000 2.601 902 c HA 0.249 4.818 4.570 -0.000 0.000 0.409 902 c C 1.073 175.129 174.090 -0.058 0.000 1.293 902 c CA -0.903 55.385 56.329 -0.068 0.000 2.101 902 c CB 0.710 43.166 42.510 -0.090 0.000 2.639 902 c HN 0.009 nan 8.230 nan 0.000 0.592 903 V N 5.800 125.676 119.914 -0.063 0.000 2.370 903 V HA 0.191 4.311 4.120 -0.000 0.000 0.257 903 V C 0.666 176.726 176.094 -0.057 0.000 1.064 903 V CA 0.388 62.655 62.300 -0.055 0.000 0.975 903 V CB -0.716 31.071 31.823 -0.060 0.000 1.067 903 V HN 0.797 nan 8.190 nan 0.000 0.485 904 R N 4.628 125.106 120.500 -0.037 0.000 2.674 904 R HA 0.544 4.884 4.340 -0.000 0.000 0.266 904 R C -2.423 173.871 176.300 -0.009 0.000 1.016 904 R CA -1.851 54.236 56.100 -0.023 0.000 1.062 904 R CB 0.876 31.167 30.300 -0.016 0.000 1.142 904 R HN 0.391 nan 8.270 nan 0.000 0.517 905 P HA -0.039 nan 4.420 nan 0.000 0.270 905 P C -0.365 176.973 177.300 0.064 0.000 1.223 905 P CA -0.213 62.871 63.100 -0.026 0.000 0.785 905 P CB 0.582 32.185 31.700 -0.160 0.000 0.923 906 S N 1.027 116.794 115.700 0.111 0.000 2.596 906 S HA 0.058 4.527 4.470 -0.000 0.000 0.260 906 S C 1.045 175.725 174.600 0.134 0.000 1.336 906 S CA -0.111 58.156 58.200 0.112 0.000 0.993 906 S CB 0.268 63.537 63.200 0.114 0.000 0.923 906 S HN 0.315 nan 8.310 nan 0.000 0.567 907 K N 0.551 121.011 120.400 0.101 0.000 2.281 907 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 907 K C 1.425 178.082 176.600 0.094 0.000 1.046 907 K CA 1.212 57.556 56.287 0.095 0.000 0.938 907 K CB -0.509 32.031 32.500 0.066 0.000 0.737 907 K HN 0.536 nan 8.250 nan 0.000 0.458 908 L N 0.035 121.317 121.223 0.098 0.000 2.592 908 L HA 0.055 4.395 4.340 -0.000 0.000 0.227 908 L C 0.940 177.864 176.870 0.089 0.000 1.127 908 L CA -0.247 54.635 54.840 0.070 0.000 0.884 908 L CB -0.169 41.917 42.059 0.044 0.000 1.065 908 L HN 0.266 nan 8.230 nan 0.000 0.457 909 H N 2.528 121.635 119.070 0.062 0.000 2.722 909 H HA 0.099 4.655 4.556 -0.000 0.000 0.328 909 H C -1.716 173.652 175.328 0.067 0.000 1.067 909 H CA -1.445 54.651 56.048 0.081 0.000 1.447 909 H CB 1.830 31.667 29.762 0.124 0.000 1.469 909 H HN -0.086 nan 8.280 nan 0.000 0.544 910 P HA 0.128 nan 4.420 nan 0.000 0.241 910 P C -0.365 177.048 177.300 0.188 0.000 1.191 910 P CA 0.222 63.363 63.100 0.068 0.000 0.771 910 P CB 0.473 32.140 31.700 -0.056 0.000 0.929 911 A N -0.331 122.774 122.820 0.476 0.000 2.299 911 A HA 0.749 5.069 4.320 -0.000 0.000 0.332 911 A C 0.301 177.945 177.584 0.100 0.000 1.131 911 A CA -0.291 51.884 52.037 0.230 0.000 0.844 911 A CB 1.019 20.136 19.000 0.195 0.000 1.251 911 A HN 0.164 nan 8.150 nan 0.000 0.486 912 G N -1.448 107.287 108.800 -0.109 0.000 2.658 912 G HA2 0.638 4.598 3.960 -0.000 0.000 0.292 912 G HA3 0.638 4.598 3.960 -0.000 0.000 0.292 912 G C -1.765 172.745 174.900 -0.650 0.000 1.320 912 G CA -0.439 44.488 45.100 -0.289 0.000 0.933 912 G HN 0.558 nan 8.290 nan 0.000 0.476 913 Y N -0.835 119.430 120.300 -0.058 0.000 2.492 913 Y HA 0.468 5.017 4.550 -0.001 0.000 0.346 913 Y C 0.379 176.049 175.900 -0.384 0.000 0.997 913 Y CA -0.940 57.060 58.100 -0.165 0.000 1.025 913 Y CB 2.097 40.453 38.460 -0.175 0.000 1.263 913 Y HN 0.326 nan 8.280 nan 0.000 0.454 914 L N 2.198 123.259 121.223 -0.271 0.000 2.464 914 L HA 0.306 4.646 4.340 -0.000 0.000 0.264 914 L C 0.748 177.473 176.870 -0.242 0.000 1.199 914 L CA -0.454 54.157 54.840 -0.380 0.000 0.818 914 L CB 0.668 42.574 42.059 -0.254 0.000 1.102 914 L HN 0.776 nan 8.230 nan 0.000 0.473 915 T N -2.065 112.337 114.554 -0.254 0.000 2.816 915 T HA 0.128 4.478 4.350 -0.000 0.000 0.282 915 T C 1.171 175.821 174.700 -0.083 0.000 0.993 915 T CA -0.593 61.408 62.100 -0.166 0.000 0.994 915 T CB 1.302 70.069 68.868 -0.169 0.000 1.025 915 T HN 0.565 nan 8.240 nan 0.000 0.529 916 S N 0.998 116.662 115.700 -0.062 0.000 2.365 916 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 916 S C 2.483 177.094 174.600 0.018 0.000 1.039 916 S CA 1.277 59.473 58.200 -0.005 0.000 1.033 916 S CB -1.053 62.127 63.200 -0.033 0.000 0.887 916 S HN 0.907 nan 8.310 nan 0.000 0.447 917 A N 1.353 124.160 122.820 -0.021 0.000 1.933 917 A HA 0.162 4.481 4.320 -0.000 0.000 0.218 917 A C 2.338 179.919 177.584 -0.005 0.000 1.175 917 A CA 1.650 53.678 52.037 -0.015 0.000 0.628 917 A CB -0.973 18.008 19.000 -0.031 0.000 0.814 917 A HN 0.527 nan 8.150 nan 0.000 0.444 918 A N -1.432 121.373 122.820 -0.025 0.000 1.929 918 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 918 A C 2.095 179.715 177.584 0.060 0.000 1.176 918 A CA 1.545 53.574 52.037 -0.015 0.000 0.628 918 A CB -0.883 18.053 19.000 -0.107 0.000 0.816 918 A HN 0.780 nan 8.150 nan 0.000 0.444 919 H N -0.008 119.053 119.070 -0.016 0.000 2.326 919 H HA -0.037 4.518 4.556 -0.000 0.000 0.301 919 H C 1.829 177.198 175.328 0.068 0.000 1.081 919 H CA 1.736 57.812 56.048 0.045 0.000 1.334 919 H CB -0.021 29.762 29.762 0.034 0.000 1.385 919 H HN 0.430 nan 8.280 nan 0.000 0.504 920 K N 0.258 120.626 120.400 -0.053 0.000 2.097 920 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 920 K C 2.389 178.961 176.600 -0.048 0.000 1.049 920 K CA 0.869 57.103 56.287 -0.088 0.000 0.933 920 K CB -0.042 32.452 32.500 -0.011 0.000 0.717 920 K HN 0.264 nan 8.250 nan 0.000 0.442 921 A N 0.907 123.723 122.820 -0.007 0.000 1.902 921 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 921 A C 2.213 179.810 177.584 0.022 0.000 1.181 921 A CA 2.039 54.086 52.037 0.017 0.000 0.623 921 A CB -0.666 18.356 19.000 0.038 0.000 0.818 921 A HN 0.285 nan 8.150 nan 0.000 0.443 922 S N -0.628 115.091 115.700 0.031 0.000 2.356 922 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 922 S C 2.148 176.750 174.600 0.003 0.000 1.032 922 S CA 1.779 60.014 58.200 0.058 0.000 1.005 922 S CB -0.422 62.861 63.200 0.138 0.000 0.867 922 S HN 0.681 nan 8.310 nan 0.000 0.449 923 Q N 0.180 119.937 119.800 -0.072 0.000 2.170 923 Q HA -0.073 4.267 4.340 -0.000 0.000 0.203 923 Q C 2.369 178.338 176.000 -0.052 0.000 0.976 923 Q CA 1.512 57.273 55.803 -0.069 0.000 0.858 923 Q CB -0.349 28.321 28.738 -0.112 0.000 0.907 923 Q HN 0.594 nan 8.270 nan 0.000 0.433 924 S N 0.090 115.767 115.700 -0.038 0.000 2.447 924 S HA -0.029 4.441 4.470 -0.000 0.000 0.233 924 S C 1.742 176.309 174.600 -0.055 0.000 1.006 924 S CA 0.513 58.690 58.200 -0.039 0.000 0.957 924 S CB 0.058 63.250 63.200 -0.014 0.000 0.773 924 S HN 0.264 nan 8.310 nan 0.000 0.507 925 L N 0.183 121.380 121.223 -0.042 0.000 2.127 925 L HA 0.147 4.487 4.340 -0.000 0.000 0.203 925 L C 2.214 179.030 176.870 -0.090 0.000 1.080 925 L CA 0.768 55.577 54.840 -0.053 0.000 0.768 925 L CB -0.316 41.730 42.059 -0.023 0.000 0.924 925 L HN 0.287 nan 8.230 nan 0.000 0.444 926 L N -1.213 119.962 121.223 -0.080 0.000 2.202 926 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 926 L C 0.209 176.973 176.870 -0.177 0.000 1.083 926 L CA 0.785 55.564 54.840 -0.102 0.000 0.790 926 L CB 0.109 42.136 42.059 -0.054 0.000 0.942 926 L HN 0.204 nan 8.230 nan 0.000 0.452 927 D N 0.375 120.660 120.400 -0.192 0.000 2.613 927 D HA 0.227 4.867 4.640 -0.000 0.000 0.312 927 D C -2.330 173.788 176.300 -0.304 0.000 1.202 927 D CA -1.002 52.823 54.000 -0.292 0.000 0.825 927 D CB 1.261 42.073 40.800 0.020 0.000 1.113 927 D HN 0.063 nan 8.370 nan 0.000 0.502 928 P HA 0.088 nan 4.420 nan 0.000 0.274 928 P C 0.602 177.816 177.300 -0.143 0.000 1.260 928 P CA -0.464 62.509 63.100 -0.212 0.000 0.793 928 P CB 1.470 33.057 31.700 -0.188 0.000 1.048 929 L N 0.746 121.930 121.223 -0.066 0.000 2.514 929 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 929 L C 0.903 177.789 176.870 0.026 0.000 1.223 929 L CA 0.442 55.282 54.840 -0.000 0.000 0.864 929 L CB -0.356 41.709 42.059 0.009 0.000 1.118 929 L HN 0.281 nan 8.230 nan 0.000 0.494 930 D N 3.248 123.723 120.400 0.125 0.000 2.210 930 D HA 0.324 4.964 4.640 -0.000 0.000 0.249 930 D C -0.320 175.976 176.300 -0.006 0.000 1.062 930 D CA -0.275 53.739 54.000 0.023 0.000 0.891 930 D CB 1.621 42.469 40.800 0.081 0.000 1.186 930 D HN 0.370 nan 8.370 nan 0.000 0.432 931 K N 1.422 121.696 120.400 -0.210 0.000 2.345 931 K HA 0.469 4.789 4.320 -0.000 0.000 0.255 931 K C -1.012 175.493 176.600 -0.160 0.000 0.934 931 K CA -0.646 55.635 56.287 -0.009 0.000 0.801 931 K CB 1.567 34.039 32.500 -0.046 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.707 122.827 119.950 0.283 0.000 2.529 932 F HA 0.486 5.013 4.527 -0.001 0.000 0.320 932 F C -0.020 176.050 175.800 0.450 0.000 1.118 932 F CA -0.886 57.273 58.000 0.265 0.000 0.915 932 F CB 1.280 40.252 39.000 -0.047 0.000 1.161 932 F HN 0.202 nan 8.300 nan 0.000 0.445 933 I N 3.675 124.618 120.570 0.621 0.000 2.339 933 I HA 0.220 4.389 4.170 -0.000 0.000 0.290 933 I C -0.537 175.874 176.117 0.490 0.000 0.994 933 I CA -0.806 60.791 61.300 0.495 0.000 1.191 933 I CB 1.160 39.354 38.000 0.324 0.000 1.343 933 I HN 0.442 nan 8.210 nan 0.000 0.458 934 F N 5.771 125.892 119.950 0.286 0.000 2.538 934 F HA 0.227 4.753 4.527 -0.001 0.000 0.371 934 F C 1.193 176.921 175.800 -0.120 0.000 1.087 934 F CA 0.103 57.985 58.000 -0.197 0.000 1.250 934 F CB 1.221 40.136 39.000 -0.141 0.000 1.110 934 F HN 0.601 nan 8.300 nan 0.000 0.570 935 A N 4.398 126.700 122.820 -0.864 0.000 1.935 935 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 935 A C 0.906 178.244 177.584 -0.411 0.000 1.178 935 A CA 0.507 52.236 52.037 -0.513 0.000 0.640 935 A CB -0.457 18.211 19.000 -0.553 0.000 0.825 935 A HN 0.796 nan 8.150 nan 0.000 0.447 936 E N -0.535 119.287 120.200 -0.629 0.000 2.359 936 E HA 0.191 4.540 4.350 -0.000 0.000 0.255 936 E C 0.204 176.903 176.600 0.164 0.000 1.191 936 E CA -0.620 55.686 56.400 -0.157 0.000 0.952 936 E CB 0.272 29.918 29.700 -0.090 0.000 1.152 936 E HN 0.199 nan 8.360 nan 0.000 0.496 937 N N 0.405 119.219 118.700 0.191 0.000 2.300 937 N HA -0.055 4.684 4.740 -0.000 0.000 0.179 937 N C -0.408 175.259 175.510 0.262 0.000 1.016 937 N CA 0.828 54.002 53.050 0.207 0.000 0.876 937 N CB 0.286 38.851 38.487 0.130 0.000 0.979 937 N HN 0.421 nan 8.380 nan 0.000 0.432 938 E N -0.673 119.707 120.200 0.299 0.000 2.275 938 E HA 0.107 4.457 4.350 -0.000 0.000 0.270 938 E C -1.543 175.198 176.600 0.236 0.000 0.882 938 E CA -0.697 55.817 56.400 0.190 0.000 0.758 938 E CB 1.203 30.971 29.700 0.114 0.000 1.195 938 E HN -0.001 nan 8.360 nan 0.000 0.419 939 W N 8.298 129.340 121.300 -0.430 0.000 2.295 939 W HA 0.325 4.985 4.660 -0.001 0.000 0.333 939 W C -1.227 175.117 176.519 -0.292 0.000 0.990 939 W CA -1.411 55.539 57.345 -0.659 0.000 1.453 939 W CB 0.187 28.711 29.460 -1.560 0.000 1.263 939 W HN 0.395 nan 8.180 nan 0.000 0.380 940 I N 6.123 126.814 120.570 0.201 0.000 2.533 940 I HA 0.202 4.372 4.170 -0.000 0.000 0.284 940 I C 1.492 177.604 176.117 -0.007 0.000 1.109 940 I CA 0.655 61.990 61.300 0.058 0.000 1.412 940 I CB -0.022 38.041 38.000 0.104 0.000 1.396 940 I HN 0.838 nan 8.210 nan 0.000 0.543 941 G N 4.815 113.520 108.800 -0.158 0.000 2.143 941 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.249 941 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.249 941 G C 0.553 175.200 174.900 -0.423 0.000 0.981 941 G CA 0.069 45.049 45.100 -0.200 0.000 0.665 941 G HN 1.036 nan 8.290 nan 0.000 0.528 942 A N -0.416 121.901 122.820 -0.839 0.000 2.531 942 A HA 0.569 4.888 4.320 -0.000 0.000 0.236 942 A C 0.560 177.720 177.584 -0.707 0.000 1.062 942 A CA 0.838 52.020 52.037 -1.424 0.000 0.760 942 A CB 0.254 18.076 19.000 -1.963 0.000 0.995 942 A HN 0.632 nan 8.150 nan 0.000 0.501 943 Q N 0.611 120.074 119.800 -0.563 0.000 2.351 943 Q HA 0.528 4.868 4.340 -0.000 0.000 0.273 943 Q C 1.082 176.958 176.000 -0.207 0.000 1.077 943 Q CA -0.199 55.437 55.803 -0.279 0.000 0.843 943 Q CB 1.988 30.628 28.738 -0.163 0.000 1.367 943 Q HN 0.801 nan 8.270 nan 0.000 0.449 944 G N 0.099 108.818 108.800 -0.135 0.000 2.603 944 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.214 944 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.214 944 G C 0.166 175.034 174.900 -0.054 0.000 1.140 944 G CA 0.539 45.575 45.100 -0.106 0.000 0.800 944 G HN 0.432 nan 8.290 nan 0.000 0.533 945 Q N -1.379 118.405 119.800 -0.026 0.000 2.472 945 Q HA 0.519 4.859 4.340 -0.000 0.000 0.281 945 Q C -2.369 173.648 176.000 0.027 0.000 0.997 945 Q CA -0.923 54.880 55.803 -0.001 0.000 0.828 945 Q CB 2.211 30.935 28.738 -0.023 0.000 1.443 945 Q HN 0.044 nan 8.270 nan 0.000 0.390 946 F N 1.162 121.014 119.950 -0.164 0.000 2.547 946 F HA 0.644 5.171 4.527 -0.000 0.000 0.316 946 F C 0.497 176.038 175.800 -0.432 0.000 1.121 946 F CA 0.457 58.291 58.000 -0.276 0.000 0.911 946 F CB 2.051 40.898 39.000 -0.255 0.000 1.179 946 F HN 0.677 nan 8.300 nan 0.000 0.443 947 G N 3.117 110.961 108.800 -1.593 0.000 2.141 947 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.231 947 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.231 947 G C 1.024 175.259 174.900 -1.109 0.000 0.984 947 G CA 0.210 44.090 45.100 -2.033 0.000 0.660 947 G HN 1.537 nan 8.290 nan 0.000 0.525 948 G N 1.141 109.580 108.800 -0.602 0.000 2.470 948 G HA2 0.014 3.974 3.960 -0.000 0.000 0.220 948 G HA3 0.014 3.974 3.960 -0.000 0.000 0.220 948 G C 1.238 176.073 174.900 -0.107 0.000 1.121 948 G CA 1.762 46.729 45.100 -0.221 0.000 0.766 948 G HN 0.814 nan 8.290 nan 0.000 0.553 949 D N -0.611 119.652 120.400 -0.228 0.000 2.349 949 D HA 0.010 4.650 4.640 -0.000 0.000 0.214 949 D C 0.076 176.374 176.300 -0.004 0.000 1.063 949 D CA -0.411 53.541 54.000 -0.079 0.000 0.847 949 D CB -0.465 40.292 40.800 -0.071 0.000 0.933 949 D HN 0.178 nan 8.370 nan 0.000 0.513 950 H N 1.821 120.781 119.070 -0.184 0.000 2.764 950 H HA 0.300 4.856 4.556 -0.000 0.000 0.341 950 H C -1.945 173.350 175.328 -0.056 0.000 1.072 950 H CA -2.118 53.847 56.048 -0.138 0.000 1.444 950 H CB -0.002 29.625 29.762 -0.225 0.000 1.458 950 H HN 0.044 nan 8.280 nan 0.000 0.572 951 P HA -0.019 nan 4.420 nan 0.000 0.268 951 P C -0.141 177.222 177.300 0.105 0.000 1.205 951 P CA -0.017 63.141 63.100 0.098 0.000 0.771 951 P CB 0.673 32.409 31.700 0.060 0.000 0.858 952 S N 2.062 117.858 115.700 0.160 0.000 2.434 952 S HA 0.581 5.051 4.470 -0.000 0.000 0.318 952 S C -0.020 174.680 174.600 0.167 0.000 1.062 952 S CA -0.570 57.753 58.200 0.205 0.000 1.116 952 S CB -0.640 62.795 63.200 0.391 0.000 0.977 952 S HN 0.500 nan 8.310 nan 0.000 0.480 953 A N 4.598 127.510 122.820 0.154 0.000 2.304 953 A HA 0.503 4.822 4.320 -0.000 0.000 0.271 953 A C 0.606 178.249 177.584 0.099 0.000 1.091 953 A CA -0.609 51.497 52.037 0.114 0.000 0.812 953 A CB 0.269 19.337 19.000 0.113 0.000 1.056 953 A HN 0.893 nan 8.150 nan 0.000 0.489 954 R N 0.217 120.745 120.500 0.047 0.000 2.638 954 R HA -0.065 4.275 4.340 -0.000 0.000 0.268 954 R C 1.334 177.638 176.300 0.007 0.000 1.006 954 R CA 0.967 57.069 56.100 0.002 0.000 1.088 954 R CB 0.334 30.624 30.300 -0.016 0.000 0.950 954 R HN 0.946 nan 8.270 nan 0.000 0.419 955 E N 2.043 122.207 120.200 -0.060 0.000 2.209 955 E HA -0.231 4.118 4.350 -0.000 0.000 0.196 955 E C 0.428 177.059 176.600 0.052 0.000 0.993 955 E CA 1.640 57.986 56.400 -0.091 0.000 0.819 955 E CB -0.065 29.557 29.700 -0.131 0.000 0.745 955 E HN 0.741 nan 8.360 nan 0.000 0.477 956 D N 0.627 121.022 120.400 -0.009 0.000 2.355 956 D HA -0.020 4.620 4.640 -0.000 0.000 0.218 956 D C 0.401 176.703 176.300 0.002 0.000 1.004 956 D CA -0.047 53.910 54.000 -0.072 0.000 0.880 956 D CB -0.046 40.656 40.800 -0.163 0.000 0.911 956 D HN 0.182 nan 8.370 nan 0.000 0.528 957 L N 0.767 122.036 121.223 0.078 0.000 2.309 957 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 957 L C -1.063 175.934 176.870 0.213 0.000 1.036 957 L CA -0.447 54.457 54.840 0.107 0.000 0.806 957 L CB 1.648 43.757 42.059 0.083 0.000 1.220 957 L HN -0.222 nan 8.230 nan 0.000 0.429 958 D N 2.282 122.828 120.400 0.242 0.000 2.575 958 D HA 0.367 5.007 4.640 -0.000 0.000 0.236 958 D C -1.257 175.202 176.300 0.266 0.000 1.075 958 D CA -0.267 53.900 54.000 0.278 0.000 0.860 958 D CB 2.380 43.391 40.800 0.352 0.000 1.475 958 D HN 0.231 nan 8.370 nan 0.000 0.474 959 V N 3.459 123.509 119.914 0.227 0.000 2.267 959 V HA 0.117 4.237 4.120 -0.000 0.000 0.254 959 V C 1.318 177.548 176.094 0.227 0.000 1.144 959 V CA -0.017 62.427 62.300 0.240 0.000 0.992 959 V CB 0.332 32.283 31.823 0.214 0.000 1.199 959 V HN 0.574 nan 8.190 nan 0.000 0.493 960 S N 2.917 118.779 115.700 0.270 0.000 2.382 960 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 960 S C 0.687 175.346 174.600 0.098 0.000 1.027 960 S CA 0.895 59.211 58.200 0.193 0.000 0.991 960 S CB 0.155 63.527 63.200 0.287 0.000 0.823 960 S HN 0.501 nan 8.310 nan 0.000 0.469 961 V N 1.521 121.529 119.914 0.158 0.000 2.686 961 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 961 V C -0.763 175.405 176.094 0.124 0.000 1.065 961 V CA -0.538 61.833 62.300 0.118 0.000 0.894 961 V CB 1.868 33.784 31.823 0.155 0.000 1.004 961 V HN 0.364 nan 8.190 nan 0.000 0.424 962 M N 5.642 125.237 119.600 -0.009 0.000 2.197 962 M HA 0.684 5.164 4.480 -0.000 0.000 0.301 962 M C -1.033 175.103 176.300 -0.273 0.000 0.987 962 M CA -0.492 54.672 55.300 -0.228 0.000 0.921 962 M CB 1.473 33.938 32.600 -0.225 0.000 1.569 962 M HN 0.746 nan 8.290 nan 0.000 0.431 963 R N 4.111 124.381 120.500 -0.384 0.000 2.515 963 R HA 0.421 4.761 4.340 -0.000 0.000 0.291 963 R C -1.408 174.667 176.300 -0.375 0.000 1.046 963 R CA -0.683 55.245 56.100 -0.287 0.000 0.914 963 R CB 1.841 32.055 30.300 -0.143 0.000 1.191 963 R HN 0.902 nan 8.270 nan 0.000 0.435 964 R N 4.543 124.878 120.500 -0.274 0.000 2.442 964 R HA 0.142 4.481 4.340 -0.000 0.000 0.291 964 R C 0.239 176.431 176.300 -0.179 0.000 1.069 964 R CA 0.061 56.027 56.100 -0.224 0.000 1.022 964 R CB 0.622 30.845 30.300 -0.128 0.000 0.976 964 R HN 0.699 nan 8.270 nan 0.000 0.443 965 L N 2.983 124.095 121.223 -0.186 0.000 2.616 965 L HA 0.140 4.479 4.340 -0.000 0.000 0.229 965 L C 0.361 177.181 176.870 -0.083 0.000 1.110 965 L CA 0.067 54.817 54.840 -0.150 0.000 0.884 965 L CB 0.410 42.347 42.059 -0.204 0.000 1.115 965 L HN 0.709 nan 8.230 nan 0.000 0.481 966 T N -2.681 111.835 114.554 -0.063 0.000 2.887 966 T HA 0.451 4.801 4.350 -0.000 0.000 0.288 966 T C -0.247 174.446 174.700 -0.012 0.000 1.021 966 T CA -0.916 61.164 62.100 -0.033 0.000 1.000 966 T CB 2.401 71.255 68.868 -0.023 0.000 1.034 966 T HN -0.084 nan 8.240 nan 0.000 0.467 967 K N 0.930 121.328 120.400 -0.002 0.000 2.117 967 K HA 0.331 4.651 4.320 -0.000 0.000 0.240 967 K C 1.605 178.218 176.600 0.022 0.000 1.031 967 K CA -0.260 56.036 56.287 0.016 0.000 0.909 967 K CB 0.518 33.025 32.500 0.013 0.000 1.097 967 K HN 0.801 nan 8.250 nan 0.000 0.492 968 S N -0.697 115.024 115.700 0.035 0.000 2.474 968 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 968 S C 1.673 176.287 174.600 0.023 0.000 0.997 968 S CA 1.297 59.517 58.200 0.033 0.000 0.949 968 S CB -0.343 62.884 63.200 0.045 0.000 0.766 968 S HN 0.605 nan 8.310 nan 0.000 0.517 969 S N 1.516 117.228 115.700 0.020 0.000 2.522 969 S HA 0.416 4.885 4.470 -0.000 0.000 0.227 969 S C 0.844 175.450 174.600 0.010 0.000 0.986 969 S CA 0.098 58.307 58.200 0.015 0.000 0.929 969 S CB -0.596 62.612 63.200 0.014 0.000 0.769 969 S HN 0.772 nan 8.310 nan 0.000 0.529 970 A N 2.040 124.865 122.820 0.008 0.000 2.409 970 A HA 0.384 4.704 4.320 -0.000 0.000 0.267 970 A C 1.270 178.859 177.584 0.008 0.000 1.127 970 A CA -0.430 51.609 52.037 0.003 0.000 0.795 970 A CB 0.276 19.275 19.000 -0.001 0.000 1.061 970 A HN 0.434 nan 8.150 nan 0.000 0.502 971 K N 1.845 122.249 120.400 0.006 0.000 2.063 971 K HA -0.091 4.228 4.320 -0.000 0.000 0.208 971 K C 0.061 176.670 176.600 0.014 0.000 1.048 971 K CA 1.702 57.995 56.287 0.009 0.000 0.928 971 K CB -0.040 32.462 32.500 0.005 0.000 0.713 971 K HN 0.632 nan 8.250 nan 0.000 0.442 972 T N 2.562 117.122 114.554 0.009 0.000 2.781 972 T HA 0.187 4.537 4.350 -0.000 0.000 0.305 972 T C -0.867 173.846 174.700 0.022 0.000 1.001 972 T CA -0.698 61.411 62.100 0.014 0.000 0.950 972 T CB 1.436 70.302 68.868 -0.003 0.000 0.955 972 T HN 0.103 nan 8.240 nan 0.000 0.471 973 Q N 2.733 122.564 119.800 0.052 0.000 2.340 973 Q HA 0.408 4.748 4.340 -0.000 0.000 0.249 973 Q C 0.082 176.137 176.000 0.090 0.000 0.957 973 Q CA 0.023 55.859 55.803 0.056 0.000 0.882 973 Q CB 1.338 30.110 28.738 0.057 0.000 1.235 973 Q HN 0.547 nan 8.270 nan 0.000 0.439 974 R N 0.347 120.866 120.500 0.033 0.000 2.575 974 R HA 0.640 4.980 4.340 -0.000 0.000 0.293 974 R C -1.072 175.182 176.300 -0.076 0.000 0.983 974 R CA -0.653 55.451 56.100 0.007 0.000 0.887 974 R CB 1.824 32.095 30.300 -0.049 0.000 1.184 974 R HN 0.253 nan 8.270 nan 0.000 0.445 975 V N 1.510 121.376 119.914 -0.079 0.000 2.588 975 V HA 0.615 4.735 4.120 -0.000 0.000 0.304 975 V C 0.237 176.069 176.094 -0.436 0.000 1.042 975 V CA -0.847 61.278 62.300 -0.291 0.000 0.877 975 V CB 2.006 33.660 31.823 -0.281 0.000 0.996 975 V HN 0.944 nan 8.190 nan 0.000 0.425 976 G N 2.901 111.242 108.800 -0.765 0.000 2.371 976 G HA2 0.675 4.634 3.960 -0.000 0.000 0.326 976 G HA3 0.675 4.634 3.960 -0.000 0.000 0.326 976 G C -1.681 172.802 174.900 -0.695 0.000 1.127 976 G CA -0.324 44.182 45.100 -0.990 0.000 0.885 976 G HN 0.507 nan 8.290 nan 0.000 0.477 977 Y N 0.311 120.701 120.300 0.149 0.000 2.442 977 Y HA 0.464 5.014 4.550 -0.001 0.000 0.344 977 Y C -0.146 176.019 175.900 0.441 0.000 0.976 977 Y CA -0.909 57.364 58.100 0.287 0.000 1.040 977 Y CB 2.752 41.346 38.460 0.223 0.000 1.228 977 Y HN 0.349 nan 8.280 nan 0.000 0.451 978 V N 4.843 125.050 119.914 0.488 0.000 2.370 978 V HA 0.358 4.477 4.120 -0.000 0.000 0.283 978 V C -0.812 175.509 176.094 0.378 0.000 1.023 978 V CA -0.661 61.852 62.300 0.356 0.000 0.857 978 V CB 1.489 33.473 31.823 0.269 0.000 0.985 978 V HN 0.526 nan 8.190 nan 0.000 0.443 979 L N 5.365 126.799 121.223 0.352 0.000 2.287 979 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 979 L C -0.383 176.687 176.870 0.334 0.000 1.022 979 L CA 0.102 55.141 54.840 0.331 0.000 0.814 979 L CB 1.003 43.261 42.059 0.332 0.000 1.217 979 L HN 0.735 nan 8.230 nan 0.000 0.420 980 H N 5.303 124.527 119.070 0.258 0.000 2.529 980 H HA 0.448 5.003 4.556 -0.001 0.000 0.348 980 H C -1.155 174.263 175.328 0.150 0.000 1.079 980 H CA -0.933 55.238 56.048 0.206 0.000 1.198 980 H CB 1.476 31.436 29.762 0.331 0.000 1.521 980 H HN 0.660 nan 8.280 nan 0.000 0.514 981 R N 3.774 123.930 120.500 -0.573 0.000 2.343 981 R HA 0.206 4.546 4.340 -0.000 0.000 0.320 981 R C -0.256 175.620 176.300 -0.707 0.000 0.956 981 R CA -0.380 55.447 56.100 -0.455 0.000 0.836 981 R CB 1.584 31.750 30.300 -0.222 0.000 1.151 981 R HN 0.652 nan 8.270 nan 0.000 0.450 982 T N 1.571 115.863 114.554 -0.437 0.000 2.793 982 T HA 0.173 4.523 4.350 -0.000 0.000 0.299 982 T C -0.495 174.032 174.700 -0.287 0.000 1.038 982 T CA -0.421 61.512 62.100 -0.278 0.000 0.948 982 T CB 0.551 69.332 68.868 -0.146 0.000 1.231 982 T HN 0.680 nan 8.240 nan 0.000 0.538 983 N N 0.558 119.110 118.700 -0.246 0.000 2.399 983 N HA 0.470 5.210 4.740 -0.000 0.000 0.284 983 N C -1.463 173.890 175.510 -0.263 0.000 1.025 983 N CA -0.497 52.352 53.050 -0.335 0.000 0.885 983 N CB 0.692 38.829 38.487 -0.583 0.000 1.339 983 N HN 0.469 nan 8.380 nan 0.000 0.487 984 L N 2.737 123.804 121.223 -0.259 0.000 2.325 984 L HA 0.536 4.876 4.340 -0.000 0.000 0.278 984 L C 0.526 177.277 176.870 -0.198 0.000 1.023 984 L CA -0.949 53.772 54.840 -0.198 0.000 0.811 984 L CB 1.591 43.542 42.059 -0.180 0.000 1.249 984 L HN 0.397 nan 8.230 nan 0.000 0.431 985 M N 1.819 121.323 119.600 -0.160 0.000 2.248 985 M HA 0.096 4.576 4.480 -0.000 0.000 0.337 985 M C -0.126 176.093 176.300 -0.135 0.000 1.121 985 M CA 0.187 55.396 55.300 -0.152 0.000 1.155 985 M CB 0.412 32.929 32.600 -0.138 0.000 1.514 985 M HN 0.528 nan 8.290 nan 0.000 0.452 986 Q N 1.613 121.338 119.800 -0.125 0.000 2.323 986 Q HA 0.164 4.504 4.340 -0.000 0.000 0.257 986 Q C -0.290 175.659 176.000 -0.086 0.000 1.022 986 Q CA -0.228 55.515 55.803 -0.100 0.000 0.919 986 Q CB 0.580 29.263 28.738 -0.093 0.000 1.220 986 Q HN 0.759 nan 8.270 nan 0.000 0.427 987 c N 1.321 119.873 118.600 -0.079 0.000 3.240 987 c HA 0.396 4.965 4.570 -0.000 0.000 0.271 987 c C 1.279 175.335 174.090 -0.057 0.000 1.534 987 c CA -0.090 56.197 56.329 -0.071 0.000 1.796 987 c CB -0.484 41.978 42.510 -0.079 0.000 2.892 987 c HN 1.126 nan 8.230 nan 0.000 0.566 988 G N 1.284 110.052 108.800 -0.053 0.000 2.159 988 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.227 988 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.227 988 G C -0.009 174.867 174.900 -0.040 0.000 0.986 988 G CA 0.291 45.365 45.100 -0.043 0.000 0.651 988 G HN 0.437 nan 8.290 nan 0.000 0.523 989 T N 2.127 116.654 114.554 -0.046 0.000 2.749 989 T HA 0.464 4.813 4.350 -0.000 0.000 0.295 989 T C -0.495 174.181 174.700 -0.039 0.000 0.936 989 T CA -0.429 61.646 62.100 -0.041 0.000 1.060 989 T CB 1.770 70.611 68.868 -0.046 0.000 0.904 989 T HN 0.048 nan 8.240 nan 0.000 0.500 990 P HA -0.075 nan 4.420 nan 0.000 0.218 990 P C 0.414 177.696 177.300 -0.030 0.000 1.148 990 P CA 0.416 63.502 63.100 -0.024 0.000 0.822 990 P CB -0.018 31.676 31.700 -0.011 0.000 0.784 991 E N -0.622 119.555 120.200 -0.038 0.000 1.580 991 E HA -0.281 4.068 4.350 -0.000 0.000 0.174 991 E C 0.524 177.077 176.600 -0.078 0.000 1.177 991 E CA 0.132 56.494 56.400 -0.062 0.000 0.512 991 E CB -0.564 29.094 29.700 -0.070 0.000 1.034 991 E HN 0.226 nan 8.360 nan 0.000 0.266 992 E N 0.774 120.932 120.200 -0.070 0.000 3.722 992 E HA 0.105 4.454 4.350 -0.000 0.000 0.276 992 E C -0.689 175.820 176.600 -0.151 0.000 0.942 992 E CA 0.482 56.839 56.400 -0.072 0.000 1.088 992 E CB 0.018 29.715 29.700 -0.005 0.000 2.828 992 E HN 0.540 nan 8.360 nan 0.000 0.539 993 H N 1.050 120.114 119.070 -0.009 0.000 1.510 993 H HA -0.127 4.429 4.556 -0.000 0.000 0.310 993 H C -0.835 174.499 175.328 0.010 0.000 0.723 993 H CA 1.092 57.139 56.048 -0.002 0.000 1.075 993 H CB -1.988 27.771 29.762 -0.006 0.000 1.401 993 H HN 0.263 nan 8.280 nan 0.000 0.220 994 T N 1.217 115.796 114.554 0.041 0.000 2.864 994 T HA 0.565 4.914 4.350 -0.000 0.000 0.289 994 T C -0.216 174.525 174.700 0.068 0.000 1.082 994 T CA -1.186 60.940 62.100 0.043 0.000 1.009 994 T CB 2.327 71.198 68.868 0.005 0.000 1.234 994 T HN 0.631 nan 8.240 nan 0.000 0.526 995 Q N 0.323 120.170 119.800 0.079 0.000 2.235 995 Q HA 0.452 4.792 4.340 -0.000 0.000 0.256 995 Q C -0.479 175.546 176.000 0.041 0.000 0.951 995 Q CA -0.967 54.873 55.803 0.062 0.000 0.890 995 Q CB 1.807 30.591 28.738 0.077 0.000 1.279 995 Q HN 0.561 nan 8.270 nan 0.000 0.444 996 K N 1.594 122.006 120.400 0.020 0.000 2.451 996 K HA 0.073 4.393 4.320 -0.000 0.000 0.280 996 K C -1.002 175.598 176.600 -0.001 0.000 1.020 996 K CA -0.194 56.094 56.287 0.002 0.000 1.008 996 K CB 0.353 32.844 32.500 -0.015 0.000 0.917 996 K HN 0.399 nan 8.250 nan 0.000 0.478 997 L N 4.678 125.897 121.223 -0.006 0.000 2.265 997 L HA 0.276 4.616 4.340 -0.000 0.000 0.289 997 L C -1.140 175.691 176.870 -0.065 0.000 1.033 997 L CA -0.102 54.726 54.840 -0.021 0.000 0.814 997 L CB 1.276 43.335 42.059 -0.000 0.000 1.203 997 L HN 0.570 nan 8.230 nan 0.000 0.423 998 D N 3.570 123.923 120.400 -0.078 0.000 2.472 998 D HA 0.157 4.797 4.640 -0.000 0.000 0.234 998 D C 1.084 177.291 176.300 -0.155 0.000 1.088 998 D CA -0.280 53.654 54.000 -0.111 0.000 0.882 998 D CB 1.202 41.972 40.800 -0.050 0.000 1.037 998 D HN 0.389 nan 8.370 nan 0.000 0.520 999 V N 1.320 121.047 119.914 -0.311 0.000 2.720 999 V HA -0.173 3.946 4.120 -0.000 0.000 0.256 999 V C 2.074 177.883 176.094 -0.474 0.000 1.082 999 V CA 1.029 62.975 62.300 -0.590 0.000 1.101 999 V CB -1.079 30.104 31.823 -1.068 0.000 0.693 999 V HN 0.603 nan 8.190 nan 0.000 0.479 1000 c N 0.541 118.996 118.600 -0.241 0.000 2.456 1000 c HA 0.055 4.625 4.570 -0.000 0.000 0.279 1000 c C 2.042 176.047 174.090 -0.140 0.000 1.427 1000 c CA 1.094 57.344 56.329 -0.131 0.000 1.778 1000 c CB -1.766 40.661 42.510 -0.139 0.000 1.842 1000 c HN 0.770 nan 8.230 nan 0.000 0.531 1001 H N -1.009 118.040 119.070 -0.035 0.000 2.542 1001 H HA 0.270 4.825 4.556 -0.001 0.000 0.283 1001 H C 1.670 177.034 175.328 0.060 0.000 1.059 1001 H CA -0.024 56.045 56.048 0.035 0.000 1.162 1001 H CB 0.046 29.810 29.762 0.003 0.000 1.539 1001 H HN 0.332 nan 8.280 nan 0.000 0.543 1002 L N -0.156 121.132 121.223 0.108 0.000 2.156 1002 L HA -0.007 4.332 4.340 -0.000 0.000 0.208 1002 L C 0.140 177.158 176.870 0.245 0.000 1.095 1002 L CA 0.850 55.779 54.840 0.148 0.000 0.770 1002 L CB 0.122 42.234 42.059 0.089 0.000 0.914 1002 L HN 0.203 nan 8.230 nan 0.000 0.439 1003 L N 0.018 121.345 121.223 0.172 0.000 2.334 1003 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 1003 L C -2.073 174.857 176.870 0.100 0.000 1.036 1003 L CA -1.965 52.908 54.840 0.055 0.000 0.807 1003 L CB 1.305 43.161 42.059 -0.339 0.000 1.231 1003 L HN -0.201 nan 8.230 nan 0.000 0.438 1004 P HA 0.144 nan 4.420 nan 0.000 0.276 1004 P C -0.866 176.553 177.300 0.197 0.000 1.261 1004 P CA -0.309 62.867 63.100 0.128 0.000 0.800 1004 P CB 0.402 32.153 31.700 0.085 0.000 1.066 1005 N N -3.217 115.575 118.700 0.153 0.000 2.754 1005 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 1005 N C 0.023 175.603 175.510 0.115 0.000 1.093 1005 N CA 0.063 53.190 53.050 0.128 0.000 0.699 1005 N CB -1.948 36.606 38.487 0.113 0.000 1.016 1005 N HN 0.247 nan 8.380 nan 0.000 0.552 1006 V N 0.017 119.950 119.914 0.033 0.000 2.655 1006 V HA 0.354 4.474 4.120 -0.000 0.000 0.300 1006 V C 1.192 177.179 176.094 -0.179 0.000 1.044 1006 V CA 1.221 63.365 62.300 -0.260 0.000 1.095 1006 V CB 1.230 32.798 31.823 -0.424 0.000 0.952 1006 V HN 0.426 nan 8.190 nan 0.000 0.485 1007 A N 6.942 129.634 122.820 -0.212 0.000 2.287 1007 A HA 0.485 4.805 4.320 -0.000 0.000 0.214 1007 A C 0.914 178.457 177.584 -0.070 0.000 1.228 1007 A CA 0.048 52.024 52.037 -0.100 0.000 0.939 1007 A CB 0.260 19.218 19.000 -0.070 0.000 0.992 1007 A HN 0.779 nan 8.150 nan 0.000 0.502 1008 R N -1.688 118.746 120.500 -0.111 0.000 2.664 1008 R HA 0.498 4.837 4.340 -0.000 0.000 0.266 1008 R C -2.318 173.953 176.300 -0.048 0.000 1.046 1008 R CA -0.319 55.777 56.100 -0.007 0.000 0.885 1008 R CB 1.442 31.752 30.300 0.017 0.000 1.254 1008 R HN 0.296 nan 8.270 nan 0.000 0.465 1009 c N 2.428 121.050 118.600 0.036 0.000 2.481 1009 c HA 0.626 5.196 4.570 -0.000 0.000 0.324 1009 c C -1.244 172.931 174.090 0.142 0.000 1.170 1009 c CA -0.201 56.153 56.329 0.041 0.000 1.361 1009 c CB 1.327 43.824 42.510 -0.020 0.000 1.977 1009 c HN 0.932 nan 8.230 nan 0.000 0.459 1010 E N 2.785 123.097 120.200 0.187 0.000 2.266 1010 E HA 0.442 4.792 4.350 -0.000 0.000 0.268 1010 E C -0.954 175.814 176.600 0.281 0.000 0.879 1010 E CA -0.587 55.941 56.400 0.214 0.000 0.762 1010 E CB 1.816 31.610 29.700 0.157 0.000 1.199 1010 E HN 0.641 nan 8.360 nan 0.000 0.422 1011 R N 1.546 122.190 120.500 0.241 0.000 2.340 1011 R HA 0.304 4.643 4.340 -0.000 0.000 0.300 1011 R C -0.455 175.870 176.300 0.042 0.000 1.069 1011 R CA 0.137 56.292 56.100 0.092 0.000 0.984 1011 R CB 0.577 30.906 30.300 0.049 0.000 1.003 1011 R HN 0.686 nan 8.270 nan 0.000 0.459 1012 T N -0.205 114.349 114.554 -0.000 0.000 2.907 1012 T HA 0.354 4.704 4.350 -0.000 0.000 0.290 1012 T C 0.152 174.835 174.700 -0.027 0.000 1.066 1012 T CA -0.776 61.348 62.100 0.040 0.000 1.012 1012 T CB 1.418 70.380 68.868 0.157 0.000 1.184 1012 T HN 0.616 nan 8.240 nan 0.000 0.522 1013 T N 0.157 114.701 114.554 -0.018 0.000 2.795 1013 T HA 0.206 4.556 4.350 -0.000 0.000 0.314 1013 T C 1.597 176.223 174.700 -0.124 0.000 1.069 1013 T CA -0.691 61.377 62.100 -0.054 0.000 1.071 1013 T CB -0.056 68.797 68.868 -0.024 0.000 0.988 1013 T HN 0.564 nan 8.240 nan 0.000 0.543 1014 L N 1.070 122.204 121.223 -0.149 0.000 2.362 1014 L HA -0.032 4.307 4.340 -0.000 0.000 0.219 1014 L C 2.903 179.491 176.870 -0.470 0.000 1.134 1014 L CA 1.414 56.099 54.840 -0.259 0.000 0.807 1014 L CB -1.044 40.947 42.059 -0.113 0.000 0.927 1014 L HN 0.989 nan 8.230 nan 0.000 0.447 1015 T N -4.525 109.859 114.554 -0.283 0.000 3.148 1015 T HA -0.006 4.344 4.350 -0.000 0.000 0.253 1015 T C 0.866 175.474 174.700 -0.152 0.000 1.134 1015 T CA -0.073 61.891 62.100 -0.226 0.000 1.051 1015 T CB -0.345 68.510 68.868 -0.022 0.000 0.959 1015 T HN 0.343 nan 8.240 nan 0.000 0.525 1016 F N -0.970 118.994 119.950 0.023 0.000 2.794 1016 F HA -0.212 4.315 4.527 -0.000 0.000 0.335 1016 F C 1.085 176.888 175.800 0.004 0.000 0.653 1016 F CA 0.171 58.177 58.000 0.011 0.000 1.266 1016 F CB -2.126 36.876 39.000 0.004 0.000 1.666 1016 F HN 0.204 nan 8.300 nan 0.000 0.314 1017 L N -0.450 120.846 121.223 0.122 0.000 2.567 1017 L HA 0.113 4.453 4.340 -0.000 0.000 0.225 1017 L C 0.898 177.792 176.870 0.040 0.000 1.119 1017 L CA 0.873 55.756 54.840 0.072 0.000 0.871 1017 L CB 0.223 42.308 42.059 0.044 0.000 1.036 1017 L HN 0.315 nan 8.230 nan 0.000 0.459 1018 Q N 0.469 120.292 119.800 0.039 0.000 2.305 1018 Q HA 0.277 4.617 4.340 -0.000 0.000 0.271 1018 Q C -1.193 174.826 176.000 0.033 0.000 1.046 1018 Q CA -0.707 55.108 55.803 0.019 0.000 0.798 1018 Q CB 1.904 30.639 28.738 -0.004 0.000 1.286 1018 Q HN 0.075 nan 8.270 nan 0.000 0.435 1019 N N 4.357 123.075 118.700 0.030 0.000 2.470 1019 N HA 0.191 4.930 4.740 -0.000 0.000 0.268 1019 N C 0.268 175.797 175.510 0.032 0.000 1.136 1019 N CA 0.221 53.296 53.050 0.042 0.000 0.961 1019 N CB 1.113 39.623 38.487 0.039 0.000 1.067 1019 N HN 0.648 nan 8.380 nan 0.000 0.468 1020 L N 0.461 121.707 121.223 0.038 0.000 2.500 1020 L HA 0.298 4.638 4.340 -0.000 0.000 0.219 1020 L C 0.621 177.519 176.870 0.046 0.000 1.057 1020 L CA 0.416 55.272 54.840 0.026 0.000 0.854 1020 L CB 0.352 42.415 42.059 0.006 0.000 1.078 1020 L HN 0.517 nan 8.230 nan 0.000 0.480 1021 E N -0.362 119.884 120.200 0.077 0.000 2.321 1021 E HA 0.123 4.473 4.350 -0.000 0.000 0.281 1021 E C -1.296 175.398 176.600 0.157 0.000 0.910 1021 E CA -0.546 55.914 56.400 0.101 0.000 0.770 1021 E CB 1.561 31.313 29.700 0.086 0.000 1.225 1021 E HN 0.094 nan 8.360 nan 0.000 0.417 1022 H N 6.151 125.247 119.070 0.043 0.000 2.668 1022 H HA 0.286 4.842 4.556 -0.001 0.000 0.303 1022 H C -0.798 174.556 175.328 0.044 0.000 1.074 1022 H CA -0.430 55.641 56.048 0.039 0.000 1.406 1022 H CB 0.603 30.378 29.762 0.022 0.000 1.442 1022 H HN 0.382 nan 8.280 nan 0.000 0.482 1023 L N 5.502 126.604 121.223 -0.201 0.000 2.276 1023 L HA 0.115 4.455 4.340 -0.000 0.000 0.286 1023 L C 0.141 176.829 176.870 -0.304 0.000 1.061 1023 L CA -0.900 53.835 54.840 -0.176 0.000 0.807 1023 L CB 1.115 43.154 42.059 -0.033 0.000 1.177 1023 L HN 0.651 nan 8.230 nan 0.000 0.429 1024 D N 2.783 123.054 120.400 -0.214 0.000 2.455 1024 D HA 0.175 4.815 4.640 -0.000 0.000 0.241 1024 D C 1.187 177.432 176.300 -0.091 0.000 1.138 1024 D CA 1.210 55.116 54.000 -0.157 0.000 0.877 1024 D CB 1.256 42.001 40.800 -0.093 0.000 1.187 1024 D HN 0.840 nan 8.370 nan 0.000 0.451 1025 G N 2.598 111.359 108.800 -0.065 0.000 2.184 1025 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.264 1025 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.264 1025 G C 0.779 175.709 174.900 0.050 0.000 0.975 1025 G CA 0.312 45.408 45.100 -0.007 0.000 0.642 1025 G HN 0.611 nan 8.290 nan 0.000 0.536 1026 M N -2.167 117.429 119.600 -0.006 0.000 2.576 1026 M HA -0.191 4.288 4.480 -0.000 0.000 0.200 1026 M C 0.057 176.402 176.300 0.075 0.000 0.487 1026 M CA 0.958 56.259 55.300 0.002 0.000 0.553 1026 M CB -1.876 30.704 32.600 -0.033 0.000 2.042 1026 M HN 0.269 nan 8.290 nan 0.000 0.758 1027 V N 0.609 120.543 119.914 0.032 0.000 2.417 1027 V HA 0.730 4.850 4.120 -0.000 0.000 0.291 1027 V C 0.595 176.614 176.094 -0.125 0.000 1.024 1027 V CA -0.377 61.925 62.300 0.003 0.000 0.861 1027 V CB 1.840 33.650 31.823 -0.022 0.000 0.985 1027 V HN 0.376 nan 8.190 nan 0.000 0.436 1028 A N 7.582 130.245 122.820 -0.261 0.000 2.316 1028 A HA 0.728 5.048 4.320 -0.000 0.000 0.311 1028 A C -2.446 174.858 177.584 -0.466 0.000 1.339 1028 A CA -1.388 50.255 52.037 -0.656 0.000 0.960 1028 A CB -0.038 18.336 19.000 -1.043 0.000 1.152 1028 A HN 0.641 nan 8.150 nan 0.000 0.547 1029 P HA 0.201 nan 4.420 nan 0.000 0.272 1029 P C -0.088 177.190 177.300 -0.037 0.000 1.223 1029 P CA -0.226 62.817 63.100 -0.095 0.000 0.784 1029 P CB 0.597 32.304 31.700 0.011 0.000 0.923 1030 E N -0.168 120.028 120.200 -0.007 0.000 2.391 1030 E HA 0.264 4.614 4.350 -0.000 0.000 0.255 1030 E C 0.036 176.684 176.600 0.080 0.000 1.187 1030 E CA -0.824 55.602 56.400 0.045 0.000 0.941 1030 E CB 0.297 30.007 29.700 0.018 0.000 1.010 1030 E HN 0.280 nan 8.360 nan 0.000 0.458 1031 V N -1.711 118.252 119.914 0.081 0.000 2.966 1031 V HA 0.387 4.507 4.120 -0.000 0.000 0.317 1031 V C 0.014 176.112 176.094 0.006 0.000 1.070 1031 V CA -1.112 61.227 62.300 0.065 0.000 1.008 1031 V CB 1.355 33.225 31.823 0.079 0.000 1.070 1031 V HN 0.767 nan 8.190 nan 0.000 0.457 1032 c N 2.889 121.488 118.600 -0.002 0.000 2.580 1032 c HA 0.449 5.018 4.570 -0.000 0.000 0.371 1032 c C -2.110 171.929 174.090 -0.085 0.000 1.308 1032 c CA -0.364 55.946 56.329 -0.032 0.000 2.428 1032 c CB 0.067 42.575 42.510 -0.003 0.000 2.529 1032 c HN 0.822 nan 8.230 nan 0.000 0.657 1033 P HA 0.035 nan 4.420 nan 0.000 0.262 1033 P C 0.288 177.444 177.300 -0.240 0.000 1.182 1033 P CA 0.960 63.932 63.100 -0.213 0.000 0.761 1033 P CB 0.174 31.729 31.700 -0.241 0.000 0.795 1034 M N -1.373 118.037 119.600 -0.317 0.000 2.939 1034 M HA -0.212 4.267 4.480 -0.000 0.000 0.194 1034 M C 0.272 176.579 176.300 0.011 0.000 0.617 1034 M CA 1.190 56.292 55.300 -0.331 0.000 0.734 1034 M CB -2.422 29.662 32.600 -0.861 0.000 2.637 1034 M HN 0.489 nan 8.290 nan 0.000 0.316 1035 E N 0.616 120.815 120.200 -0.000 0.000 2.250 1035 E HA 0.552 4.902 4.350 -0.000 0.000 0.269 1035 E C -0.612 176.060 176.600 0.119 0.000 1.018 1035 E CA -0.130 56.338 56.400 0.114 0.000 0.873 1035 E CB 1.405 31.138 29.700 0.054 0.000 1.134 1035 E HN 0.203 nan 8.360 nan 0.000 0.403 1036 T N 1.555 116.197 114.554 0.147 0.000 2.881 1036 T HA 0.684 5.034 4.350 -0.000 0.000 0.290 1036 T C -1.228 173.490 174.700 0.029 0.000 1.000 1036 T CA -0.574 61.620 62.100 0.156 0.000 0.978 1036 T CB 1.512 70.481 68.868 0.169 0.000 0.997 1036 T HN 0.604 nan 8.240 nan 0.000 0.443 1037 A N 1.920 124.760 122.820 0.035 0.000 2.469 1037 A HA 1.003 5.322 4.320 -0.000 0.000 0.299 1037 A C -1.024 176.473 177.584 -0.144 0.000 1.098 1037 A CA -0.945 51.021 52.037 -0.118 0.000 0.737 1037 A CB 1.543 20.429 19.000 -0.190 0.000 1.312 1037 A HN 1.120 nan 8.150 nan 0.000 0.414 1038 A N 0.274 122.911 122.820 -0.305 0.000 2.386 1038 A HA 0.817 5.137 4.320 -0.000 0.000 0.311 1038 A C -1.507 175.887 177.584 -0.317 0.000 1.068 1038 A CA -0.357 51.610 52.037 -0.118 0.000 0.743 1038 A CB 0.758 19.721 19.000 -0.061 0.000 1.258 1038 A HN 0.838 nan 8.150 nan 0.000 0.429 1039 Y N 0.188 120.697 120.300 0.349 0.000 2.512 1039 Y HA 0.588 5.138 4.550 -0.000 0.000 0.348 1039 Y C -0.246 175.827 175.900 0.288 0.000 0.990 1039 Y CA -0.933 57.329 58.100 0.271 0.000 1.033 1039 Y CB 2.626 41.205 38.460 0.198 0.000 1.259 1039 Y HN 0.421 nan 8.280 nan 0.000 0.461 1040 V N 2.256 122.370 119.914 0.334 0.000 2.531 1040 V HA 0.453 4.573 4.120 -0.000 0.000 0.301 1040 V C -0.698 175.486 176.094 0.149 0.000 1.034 1040 V CA -0.919 61.476 62.300 0.158 0.000 0.865 1040 V CB 1.793 33.644 31.823 0.046 0.000 0.995 1040 V HN 0.824 nan 8.190 nan 0.000 0.424 1041 S N 3.354 119.148 115.700 0.156 0.000 2.489 1041 S HA 0.742 5.212 4.470 -0.000 0.000 0.291 1041 S C -0.250 174.296 174.600 -0.090 0.000 1.151 1041 S CA -0.595 57.625 58.200 0.034 0.000 1.082 1041 S CB 1.621 64.913 63.200 0.154 0.000 1.019 1041 S HN 0.569 nan 8.310 nan 0.000 0.492 1042 S N 2.342 117.858 115.700 -0.307 0.000 2.501 1042 S HA 0.537 5.006 4.470 -0.000 0.000 0.301 1042 S C -0.942 173.324 174.600 -0.558 0.000 1.096 1042 S CA -0.781 57.266 58.200 -0.256 0.000 1.063 1042 S CB 0.564 63.692 63.200 -0.121 0.000 1.042 1042 S HN 0.788 nan 8.310 nan 0.000 0.494 1043 H N 0.906 119.965 119.070 -0.019 0.000 2.667 1043 H HA 0.263 4.819 4.556 -0.000 0.000 0.353 1043 H C 0.292 175.614 175.328 -0.010 0.000 1.072 1043 H CA -0.537 55.501 56.048 -0.016 0.000 1.214 1043 H CB 1.832 31.587 29.762 -0.012 0.000 1.600 1043 H HN 0.670 nan 8.280 nan 0.000 0.527 1044 S N 1.374 117.119 115.700 0.075 0.000 2.527 1044 S HA 0.024 4.493 4.470 -0.000 0.000 0.222 1044 S C 0.888 175.520 174.600 0.054 0.000 0.985 1044 S CA 0.147 58.374 58.200 0.045 0.000 0.921 1044 S CB 0.140 63.354 63.200 0.024 0.000 0.772 1044 S HN 0.617 nan 8.310 nan 0.000 0.529 1045 S N 0.000 115.746 115.700 0.077 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1045 S CA 0.000 58.232 58.200 0.053 0.000 1.107 1045 S CB 0.000 63.224 63.200 0.040 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517