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 1tqt_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.103 174.090 0.021 0.000 1.270 31 c CA 0.000 56.337 56.329 0.014 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.009 0.000 2.134 32 Q N 1.432 121.261 119.800 0.048 0.000 2.395 32 Q HA 0.130 4.470 4.340 -0.001 0.000 0.271 32 Q C -0.131 175.898 176.000 0.049 0.000 1.026 32 Q CA 0.443 56.289 55.803 0.072 0.000 0.900 32 Q CB 0.809 29.628 28.738 0.135 0.000 1.266 32 Q HN 0.672 nan 8.270 nan 0.000 0.430 33 D N 1.444 121.876 120.400 0.053 0.000 2.295 33 D HA 0.082 4.722 4.640 -0.001 0.000 0.248 33 D C 0.361 176.704 176.300 0.073 0.000 1.154 33 D CA -0.257 53.755 54.000 0.020 0.000 0.857 33 D CB 1.319 42.133 40.800 0.024 0.000 1.117 33 D HN 0.370 nan 8.370 nan 0.000 0.468 34 V N 2.101 122.009 119.914 -0.010 0.000 3.542 34 V HA 0.127 4.246 4.120 -0.001 0.000 0.296 34 V C 1.020 177.172 176.094 0.096 0.000 1.364 34 V CA -0.009 62.357 62.300 0.109 0.000 1.118 34 V CB 0.219 31.942 31.823 -0.166 0.000 0.972 34 V HN 0.388 nan 8.190 nan 0.000 0.430 35 V N -0.032 119.854 119.914 -0.047 0.000 2.911 35 V HA 0.073 4.193 4.120 -0.001 0.000 0.237 35 V C 2.339 178.426 176.094 -0.012 0.000 1.156 35 V CA 1.242 63.472 62.300 -0.116 0.000 1.180 35 V CB -0.046 31.659 31.823 -0.197 0.000 0.932 35 V HN 0.465 nan 8.190 nan 0.000 0.483 36 Q N 0.018 119.849 119.800 0.052 0.000 2.424 36 Q HA 0.077 4.416 4.340 -0.001 0.000 0.204 36 Q C -0.417 175.670 176.000 0.145 0.000 0.933 36 Q CA 0.463 56.319 55.803 0.088 0.000 0.929 36 Q CB 0.378 29.139 28.738 0.038 0.000 1.037 36 Q HN 0.532 nan 8.270 nan 0.000 0.511 37 D N 1.077 121.593 120.400 0.193 0.000 2.414 37 D HA 0.179 4.818 4.640 -0.001 0.000 0.232 37 D C -0.711 175.697 176.300 0.180 0.000 1.070 37 D CA -0.286 53.809 54.000 0.158 0.000 0.839 37 D CB 2.208 43.078 40.800 0.117 0.000 1.079 37 D HN -0.178 nan 8.370 nan 0.000 0.521 38 V N 4.537 124.520 119.914 0.116 0.000 2.439 38 V HA 0.120 4.240 4.120 -0.001 0.000 0.271 38 V C -1.864 174.200 176.094 -0.049 0.000 1.040 38 V CA -1.146 61.140 62.300 -0.024 0.000 1.002 38 V CB 0.425 32.246 31.823 -0.004 0.000 1.000 38 V HN 0.307 nan 8.190 nan 0.000 0.477 39 P HA 0.022 nan 4.420 nan 0.000 0.266 39 P C -0.177 177.093 177.300 -0.050 0.000 1.195 39 P CA 0.098 63.163 63.100 -0.059 0.000 0.768 39 P CB 0.310 31.957 31.700 -0.088 0.000 0.838 40 N N 2.228 120.915 118.700 -0.022 0.000 2.462 40 N HA 0.321 5.060 4.740 -0.001 0.000 0.242 40 N C -0.871 174.631 175.510 -0.014 0.000 1.010 40 N CA -0.539 52.502 53.050 -0.016 0.000 0.939 40 N CB 0.415 38.901 38.487 -0.001 0.000 1.127 40 N HN 0.103 nan 8.380 nan 0.000 0.509 41 V N 0.746 120.645 119.914 -0.025 0.000 3.001 41 V HA 0.403 4.523 4.120 -0.001 0.000 0.314 41 V C 0.572 176.654 176.094 -0.021 0.000 1.099 41 V CA -0.792 61.497 62.300 -0.018 0.000 0.989 41 V CB 1.962 33.764 31.823 -0.034 0.000 1.040 41 V HN 0.436 nan 8.190 nan 0.000 0.434 42 D N 0.851 121.246 120.400 -0.008 0.000 2.144 42 D HA 0.024 4.664 4.640 -0.001 0.000 0.200 42 D C 0.500 176.773 176.300 -0.045 0.000 0.978 42 D CA 1.611 55.603 54.000 -0.013 0.000 0.833 42 D CB 0.475 41.284 40.800 0.015 0.000 0.961 42 D HN 0.420 nan 8.370 nan 0.000 0.470 43 V N 1.558 121.424 119.914 -0.080 0.000 2.483 43 V HA 0.212 4.331 4.120 -0.001 0.000 0.297 43 V C -0.310 175.694 176.094 -0.150 0.000 1.027 43 V CA -0.736 61.487 62.300 -0.128 0.000 0.855 43 V CB 2.340 34.040 31.823 -0.204 0.000 0.995 43 V HN -0.077 nan 8.190 nan 0.000 0.424 44 Q N 4.636 124.360 119.800 -0.126 0.000 2.357 44 Q HA 0.420 4.760 4.340 -0.001 0.000 0.266 44 Q C 0.506 176.417 176.000 -0.148 0.000 1.021 44 Q CA -0.695 55.027 55.803 -0.136 0.000 0.784 44 Q CB 1.833 30.511 28.738 -0.101 0.000 1.243 44 Q HN 0.678 nan 8.270 nan 0.000 0.465 45 M N 3.015 122.481 119.600 -0.223 0.000 2.202 45 M HA -0.186 4.294 4.480 -0.001 0.000 0.262 45 M C 1.581 177.787 176.300 -0.157 0.000 1.063 45 M CA 1.077 56.233 55.300 -0.239 0.000 1.097 45 M CB -0.819 31.505 32.600 -0.459 0.000 1.382 45 M HN 0.567 nan 8.290 nan 0.000 0.413 46 L N 0.471 121.596 121.223 -0.163 0.000 2.109 46 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 46 L C 2.456 179.327 176.870 0.003 0.000 1.086 46 L CA 1.740 56.514 54.840 -0.109 0.000 0.760 46 L CB -0.620 41.345 42.059 -0.156 0.000 0.910 46 L HN 0.246 nan 8.230 nan 0.000 0.437 47 E N -0.318 119.868 120.200 -0.024 0.000 2.072 47 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 47 E C 2.174 178.792 176.600 0.031 0.000 0.985 47 E CA 1.383 57.782 56.400 -0.001 0.000 0.801 47 E CB -0.247 29.437 29.700 -0.027 0.000 0.750 47 E HN 0.452 nan 8.360 nan 0.000 0.452 48 L N 0.402 121.645 121.223 0.034 0.000 2.083 48 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 48 L C 2.210 179.159 176.870 0.132 0.000 1.083 48 L CA 1.567 56.434 54.840 0.045 0.000 0.752 48 L CB -0.836 41.237 42.059 0.024 0.000 0.899 48 L HN 0.097 nan 8.230 nan 0.000 0.433 49 Y N -0.107 120.203 120.300 0.017 0.000 2.224 49 Y HA -0.223 4.326 4.550 -0.001 0.000 0.289 49 Y C 2.538 178.537 175.900 0.165 0.000 1.146 49 Y CA 1.590 59.788 58.100 0.165 0.000 1.182 49 Y CB -0.623 37.932 38.460 0.159 0.000 0.983 49 Y HN 0.341 nan 8.280 nan 0.000 0.524 50 D N -0.399 120.119 120.400 0.198 0.000 2.144 50 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 50 D C 2.091 178.436 176.300 0.074 0.000 0.984 50 D CA 1.313 55.380 54.000 0.112 0.000 0.834 50 D CB 0.052 40.891 40.800 0.065 0.000 0.955 50 D HN 0.242 nan 8.370 nan 0.000 0.465 51 R N -0.957 119.569 120.500 0.043 0.000 2.100 51 R HA 0.138 4.477 4.340 -0.001 0.000 0.220 51 R C 0.948 177.228 176.300 -0.032 0.000 1.091 51 R CA 0.094 56.194 56.100 0.000 0.000 0.986 51 R CB -0.045 30.240 30.300 -0.024 0.000 0.888 51 R HN 0.230 nan 8.270 nan 0.000 0.444 52 M N 0.682 120.229 119.600 -0.089 0.000 2.252 52 M HA -0.069 4.410 4.480 -0.001 0.000 0.333 52 M C 1.438 177.669 176.300 -0.115 0.000 1.111 52 M CA 0.363 55.508 55.300 -0.257 0.000 1.140 52 M CB 1.201 33.364 32.600 -0.728 0.000 1.538 52 M HN 0.053 nan 8.290 nan 0.000 0.448 53 S N 1.475 117.092 115.700 -0.137 0.000 2.517 53 S HA 0.097 4.567 4.470 -0.001 0.000 0.214 53 S C 0.606 175.312 174.600 0.176 0.000 0.991 53 S CA -0.266 57.960 58.200 0.042 0.000 0.906 53 S CB -0.164 63.038 63.200 0.003 0.000 0.789 53 S HN 0.753 nan 8.310 nan 0.000 0.513 54 F N 0.708 120.589 119.950 -0.115 0.000 3.084 54 F HA -0.144 4.383 4.527 -0.001 0.000 0.286 54 F C 0.181 176.002 175.800 0.035 0.000 0.855 54 F CA 0.395 58.339 58.000 -0.094 0.000 1.091 54 F CB -1.953 36.964 39.000 -0.140 0.000 1.177 54 F HN 0.123 nan 8.300 nan 0.000 0.542 55 K N 1.182 121.662 120.400 0.135 0.000 2.368 55 K HA 0.144 4.463 4.320 -0.001 0.000 0.282 55 K C 0.247 176.961 176.600 0.190 0.000 1.035 55 K CA -0.125 56.247 56.287 0.141 0.000 0.973 55 K CB 0.553 33.095 32.500 0.070 0.000 0.957 55 K HN 0.080 nan 8.250 nan 0.000 0.474 56 D N 3.912 124.438 120.400 0.210 0.000 2.524 56 D HA 0.149 4.788 4.640 -0.001 0.000 0.222 56 D C -0.156 176.186 176.300 0.069 0.000 1.142 56 D CA -0.467 53.655 54.000 0.203 0.000 0.973 56 D CB -0.543 40.380 40.800 0.206 0.000 1.025 56 D HN 0.480 nan 8.370 nan 0.000 0.519 57 I N -1.260 119.337 120.570 0.045 0.000 2.676 57 I HA 0.494 4.663 4.170 -0.001 0.000 0.309 57 I C 0.066 176.170 176.117 -0.022 0.000 0.990 57 I CA -1.006 60.299 61.300 0.009 0.000 1.168 57 I CB 1.541 39.547 38.000 0.010 0.000 1.343 57 I HN -0.112 nan 8.210 nan 0.000 0.482 58 D N 3.891 124.277 120.400 -0.023 0.000 2.346 58 D HA 0.155 4.795 4.640 -0.001 0.000 0.260 58 D C 0.976 177.260 176.300 -0.027 0.000 1.252 58 D CA 0.110 54.090 54.000 -0.033 0.000 0.895 58 D CB 1.491 42.280 40.800 -0.019 0.000 1.097 58 D HN 0.833 nan 8.370 nan 0.000 0.489 59 G N 2.447 111.213 108.800 -0.057 0.000 2.985 59 G HA2 0.412 4.372 3.960 -0.001 0.000 0.209 59 G HA3 0.412 4.372 3.960 -0.001 0.000 0.209 59 G C 0.899 175.800 174.900 0.001 0.000 1.165 59 G CA 0.396 45.467 45.100 -0.048 0.000 0.776 59 G HN 0.915 nan 8.290 nan 0.000 0.541 60 G N -0.581 108.224 108.800 0.008 0.000 2.464 60 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.216 60 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.216 60 G C 1.202 176.122 174.900 0.034 0.000 1.186 60 G CA 0.721 45.838 45.100 0.028 0.000 1.010 60 G HN 1.100 nan 8.290 nan 0.000 0.585 61 V N -3.568 116.364 119.914 0.031 0.000 2.392 61 V HA 0.059 4.178 4.120 -0.001 0.000 0.249 61 V C 1.442 177.563 176.094 0.045 0.000 1.059 61 V CA 2.446 64.746 62.300 0.001 0.000 1.051 61 V CB -0.547 31.242 31.823 -0.056 0.000 0.658 61 V HN 1.399 nan 8.190 nan 0.000 0.455 62 W N 2.645 123.854 121.300 -0.151 0.000 2.318 62 W HA 0.448 5.107 4.660 -0.001 0.000 0.362 62 W C 1.104 177.583 176.519 -0.065 0.000 0.978 62 W CA -1.858 55.387 57.345 -0.166 0.000 1.509 62 W CB 0.274 29.606 29.460 -0.214 0.000 1.437 62 W HN 0.058 nan 8.180 nan 0.000 0.361 63 K N 2.654 123.138 120.400 0.140 0.000 2.160 63 K HA -0.203 4.116 4.320 -0.001 0.000 0.206 63 K C 0.856 177.373 176.600 -0.140 0.000 1.047 63 K CA 1.560 57.839 56.287 -0.014 0.000 0.930 63 K CB 0.089 32.580 32.500 -0.016 0.000 0.720 63 K HN 0.578 nan 8.250 nan 0.000 0.450 64 Q N -0.842 118.825 119.800 -0.222 0.000 2.172 64 Q HA 0.170 4.510 4.340 -0.001 0.000 0.217 64 Q C 0.822 176.451 176.000 -0.619 0.000 0.832 64 Q CA -0.284 55.362 55.803 -0.261 0.000 1.010 64 Q CB 1.325 30.053 28.738 -0.017 0.000 1.133 64 Q HN 0.241 nan 8.270 nan 0.000 0.489 65 G N 0.599 108.608 108.800 -1.319 0.000 3.364 65 G HA2 0.522 4.482 3.960 -0.001 0.000 0.191 65 G HA3 0.522 4.482 3.960 -0.001 0.000 0.191 65 G C -1.374 173.235 174.900 -0.485 0.000 1.352 65 G CA -0.265 43.799 45.100 -1.728 0.000 0.758 65 G HN 0.354 nan 8.290 nan 0.000 0.730 66 W N -1.434 119.599 121.300 -0.445 0.000 2.923 66 W HA 0.627 5.286 4.660 -0.001 0.000 0.373 66 W C -1.468 175.135 176.519 0.139 0.000 1.205 66 W CA -1.122 56.173 57.345 -0.083 0.000 1.180 66 W CB 0.625 30.053 29.460 -0.054 0.000 1.477 66 W HN 0.188 nan 8.180 nan 0.000 0.581 67 N N 2.099 120.964 118.700 0.275 0.000 2.402 67 N HA 0.245 4.984 4.740 -0.001 0.000 0.252 67 N C -0.298 175.350 175.510 0.229 0.000 1.118 67 N CA -0.013 53.141 53.050 0.173 0.000 0.945 67 N CB 0.492 39.077 38.487 0.164 0.000 1.147 67 N HN 0.382 nan 8.380 nan 0.000 0.495 68 I N 1.966 122.564 120.570 0.048 0.000 2.588 68 I HA 0.064 4.233 4.170 -0.001 0.000 0.283 68 I C 0.768 177.036 176.117 0.251 0.000 1.119 68 I CA 0.214 61.615 61.300 0.168 0.000 1.419 68 I CB 0.555 38.602 38.000 0.079 0.000 1.394 68 I HN 0.143 nan 8.210 nan 0.000 0.562 69 K N 5.641 126.224 120.400 0.305 0.000 2.385 69 K HA 0.614 4.933 4.320 -0.001 0.000 0.248 69 K C -1.431 175.315 176.600 0.242 0.000 0.955 69 K CA -0.696 55.693 56.287 0.171 0.000 0.816 69 K CB 2.481 35.052 32.500 0.119 0.000 1.250 69 K HN 0.486 nan 8.250 nan 0.000 0.434 70 Y N -2.006 118.379 120.300 0.143 0.000 2.615 70 Y HA 0.453 5.003 4.550 -0.001 0.000 0.341 70 Y C -1.214 174.752 175.900 0.111 0.000 1.089 70 Y CA -1.566 56.619 58.100 0.141 0.000 1.049 70 Y CB 1.086 39.650 38.460 0.172 0.000 1.296 70 Y HN 0.403 nan 8.280 nan 0.000 0.470 71 D N 3.458 124.010 120.400 0.253 0.000 2.347 71 D HA 0.312 4.951 4.640 -0.001 0.000 0.235 71 D C -1.661 174.800 176.300 0.269 0.000 1.149 71 D CA -2.792 51.296 54.000 0.147 0.000 0.850 71 D CB 1.498 42.355 40.800 0.095 0.000 1.061 71 D HN 0.405 nan 8.370 nan 0.000 0.487 72 P HA -0.140 nan 4.420 nan 0.000 0.220 72 P C 1.385 178.822 177.300 0.228 0.000 1.144 72 P CA 0.766 64.059 63.100 0.322 0.000 0.800 72 P CB 0.318 32.149 31.700 0.218 0.000 0.772 73 L N -0.668 120.639 121.223 0.140 0.000 2.610 73 L HA 0.037 4.377 4.340 -0.001 0.000 0.232 73 L C 2.673 179.577 176.870 0.056 0.000 1.149 73 L CA 0.539 55.437 54.840 0.096 0.000 0.872 73 L CB -0.707 41.389 42.059 0.061 0.000 0.992 73 L HN -0.009 nan 8.230 nan 0.000 0.447 74 K N 0.493 120.906 120.400 0.022 0.000 2.097 74 K HA -0.143 4.176 4.320 -0.001 0.000 0.206 74 K C 0.038 176.488 176.600 -0.250 0.000 1.049 74 K CA 1.157 57.341 56.287 -0.172 0.000 0.933 74 K CB 0.050 32.369 32.500 -0.303 0.000 0.717 74 K HN 0.123 nan 8.250 nan 0.000 0.442 75 Y N 0.699 121.118 120.300 0.199 0.000 2.361 75 Y HA 0.224 4.774 4.550 -0.000 0.000 0.332 75 Y C -0.056 175.925 175.900 0.136 0.000 1.101 75 Y CA -0.927 57.288 58.100 0.192 0.000 1.137 75 Y CB 1.477 40.001 38.460 0.107 0.000 1.207 75 Y HN 0.279 nan 8.280 nan 0.000 0.463 76 N N -0.477 118.378 118.700 0.259 0.000 3.106 76 N HA 0.452 5.191 4.740 -0.001 0.000 0.253 76 N C -0.036 175.504 175.510 0.049 0.000 1.506 76 N CA -0.419 52.711 53.050 0.134 0.000 0.876 76 N CB 0.441 38.998 38.487 0.117 0.000 1.452 76 N HN 0.490 nan 8.380 nan 0.000 0.542 77 A N -0.761 122.004 122.820 -0.092 0.000 1.997 77 A HA -0.225 4.094 4.320 -0.001 0.000 0.221 77 A C 1.056 178.434 177.584 -0.344 0.000 1.172 77 A CA 1.879 53.755 52.037 -0.267 0.000 0.645 77 A CB -1.271 17.473 19.000 -0.427 0.000 0.813 77 A HN 0.761 nan 8.150 nan 0.000 0.454 78 H N -3.272 115.855 119.070 0.095 0.000 2.586 78 H HA 0.204 4.760 4.556 -0.001 0.000 0.273 78 H C 0.394 175.826 175.328 0.174 0.000 0.997 78 H CA 0.484 56.593 56.048 0.101 0.000 1.177 78 H CB 0.278 30.089 29.762 0.080 0.000 1.471 78 H HN 0.615 nan 8.280 nan 0.000 0.538 79 H N 0.965 120.115 119.070 0.133 0.000 2.699 79 H HA 0.222 4.777 4.556 -0.000 0.000 0.256 79 H C -0.883 174.589 175.328 0.241 0.000 1.376 79 H CA -0.403 55.742 56.048 0.163 0.000 1.549 79 H CB 0.284 30.131 29.762 0.143 0.000 1.686 79 H HN 0.161 nan 8.280 nan 0.000 0.550 80 K N 2.344 122.717 120.400 -0.045 0.000 2.087 80 K HA 0.190 4.510 4.320 -0.001 0.000 0.255 80 K C -0.318 176.096 176.600 -0.310 0.000 0.988 80 K CA -1.170 55.061 56.287 -0.093 0.000 0.915 80 K CB 2.090 34.520 32.500 -0.118 0.000 1.043 80 K HN 0.174 nan 8.250 nan 0.000 0.457 81 L N 2.537 123.432 121.223 -0.547 0.000 2.278 81 L HA 0.151 4.491 4.340 -0.001 0.000 0.287 81 L C -0.643 175.936 176.870 -0.484 0.000 1.072 81 L CA 0.267 54.647 54.840 -0.766 0.000 0.819 81 L CB 0.148 41.565 42.059 -1.071 0.000 1.176 81 L HN 0.359 nan 8.230 nan 0.000 0.435 82 K N 4.591 124.740 120.400 -0.419 0.000 2.248 82 K HA 0.468 4.787 4.320 -0.001 0.000 0.281 82 K C -1.082 175.164 176.600 -0.590 0.000 1.054 82 K CA -0.543 55.454 56.287 -0.484 0.000 0.903 82 K CB 1.423 33.685 32.500 -0.397 0.000 1.077 82 K HN 0.404 nan 8.250 nan 0.000 0.474 83 V N 5.088 124.543 119.914 -0.764 0.000 2.384 83 V HA 0.357 4.477 4.120 -0.001 0.000 0.287 83 V C -0.768 174.780 176.094 -0.909 0.000 1.020 83 V CA -0.764 61.039 62.300 -0.829 0.000 0.850 83 V CB 0.644 31.793 31.823 -1.122 0.000 0.987 83 V HN 0.554 nan 8.190 nan 0.000 0.436 84 F N 3.672 123.358 119.950 -0.439 0.000 2.388 84 F HA 0.508 5.034 4.527 -0.001 0.000 0.358 84 F C 0.159 175.765 175.800 -0.324 0.000 1.122 84 F CA -0.752 57.045 58.000 -0.339 0.000 1.056 84 F CB 1.808 40.684 39.000 -0.208 0.000 1.155 84 F HN 0.179 nan 8.300 nan 0.000 0.461 85 V N 5.197 125.066 119.914 -0.074 0.000 2.364 85 V HA 0.280 4.400 4.120 -0.001 0.000 0.272 85 V C -0.261 175.925 176.094 0.153 0.000 1.036 85 V CA -0.639 61.680 62.300 0.032 0.000 0.880 85 V CB 1.304 33.213 31.823 0.142 0.000 0.991 85 V HN 0.444 nan 8.190 nan 0.000 0.460 86 V N 8.334 128.292 119.914 0.073 0.000 2.293 86 V HA 0.314 4.434 4.120 -0.001 0.000 0.275 86 V C -2.368 173.770 176.094 0.073 0.000 1.021 86 V CA -1.982 60.332 62.300 0.022 0.000 0.815 86 V CB 1.358 33.100 31.823 -0.134 0.000 1.025 86 V HN 0.713 nan 8.190 nan 0.000 0.448 87 P HA 0.320 nan 4.420 nan 0.000 0.271 87 P C -0.838 176.475 177.300 0.021 0.000 1.216 87 P CA 0.289 63.364 63.100 -0.041 0.000 0.771 87 P CB 0.345 31.829 31.700 -0.360 0.000 0.864 88 H N -1.145 117.948 119.070 0.037 0.000 3.014 88 H HA 0.777 5.333 4.556 -0.001 0.000 0.337 88 H C -1.518 173.928 175.328 0.197 0.000 1.320 88 H CA -1.099 54.866 56.048 -0.138 0.000 1.128 88 H CB 0.908 30.543 29.762 -0.212 0.000 1.862 88 H HN 0.186 nan 8.280 nan 0.000 0.536 89 S N 0.737 116.468 115.700 0.053 0.000 2.776 89 S HA 0.205 4.675 4.470 -0.001 0.000 0.284 89 S C -1.778 172.746 174.600 -0.126 0.000 1.160 89 S CA -0.668 57.598 58.200 0.110 0.000 1.051 89 S CB 0.179 63.625 63.200 0.411 0.000 1.037 89 S HN 0.831 nan 8.310 nan 0.000 0.485 90 H N 4.500 123.476 119.070 -0.157 0.000 2.944 90 H HA 0.377 4.932 4.556 -0.001 0.000 0.278 90 H C -0.043 174.867 175.328 -0.697 0.000 1.083 90 H CA 0.393 56.249 56.048 -0.320 0.000 1.479 90 H CB 0.118 29.742 29.762 -0.230 0.000 1.486 90 H HN 0.551 nan 8.280 nan 0.000 0.493 91 N N 5.623 123.677 118.700 -1.076 0.000 2.621 91 N HA 0.042 4.782 4.740 -0.001 0.000 0.237 91 N C -1.084 173.992 175.510 -0.724 0.000 0.997 91 N CA -0.562 51.690 53.050 -1.330 0.000 0.918 91 N CB 0.873 38.848 38.487 -0.853 0.000 1.122 91 N HN 0.643 nan 8.380 nan 0.000 0.510 92 D N 2.452 122.468 120.400 -0.639 0.000 2.371 92 D HA 0.088 4.727 4.640 -0.001 0.000 0.256 92 D C -2.062 174.290 176.300 0.087 0.000 1.193 92 D CA -0.865 53.008 54.000 -0.213 0.000 0.881 92 D CB 1.371 42.302 40.800 0.217 0.000 1.143 92 D HN 0.188 nan 8.370 nan 0.000 0.473 93 P HA 0.193 nan 4.420 nan 0.000 0.230 93 P C -0.082 177.419 177.300 0.335 0.000 1.791 93 P CA 0.037 63.142 63.100 0.007 0.000 1.020 93 P CB 0.209 31.774 31.700 -0.224 0.000 1.977 94 G N 0.497 109.685 108.800 0.647 0.000 2.911 94 G HA2 0.019 3.979 3.960 -0.001 0.000 0.686 94 G HA3 0.019 3.979 3.960 -0.001 0.000 0.686 94 G C -1.076 174.374 174.900 0.916 0.000 1.136 94 G CA -0.609 44.906 45.100 0.691 0.000 0.764 94 G HN 0.361 nan 8.290 nan 0.000 0.626 95 W N 1.950 123.594 121.300 0.573 0.000 4.511 95 W HA 0.192 4.851 4.660 -0.001 0.000 0.159 95 W C 1.601 178.305 176.519 0.308 0.000 3.471 95 W CA 1.239 58.889 57.345 0.509 0.000 1.173 95 W CB -0.873 28.975 29.460 0.646 0.000 2.090 95 W HN 0.978 nan 8.180 nan 0.000 0.393 96 I N 0.902 121.481 120.570 0.015 0.000 3.883 96 I HA 0.297 4.466 4.170 -0.001 0.000 0.326 96 I C 0.217 176.210 176.117 -0.207 0.000 1.283 96 I CA 0.546 61.671 61.300 -0.291 0.000 1.161 96 I CB 0.007 37.702 38.000 -0.509 0.000 1.012 96 I HN -0.117 nan 8.210 nan 0.000 0.421 97 Q N 1.874 121.405 119.800 -0.449 0.000 2.495 97 Q HA 0.388 4.727 4.340 -0.001 0.000 0.287 97 Q C -0.266 175.482 176.000 -0.421 0.000 1.078 97 Q CA -0.341 55.134 55.803 -0.547 0.000 0.793 97 Q CB 2.463 30.547 28.738 -1.089 0.000 1.459 97 Q HN 0.337 nan 8.270 nan 0.000 0.422 98 T N -2.343 112.079 114.554 -0.220 0.000 2.788 98 T HA 0.222 4.571 4.350 -0.001 0.000 0.287 98 T C 1.108 175.889 174.700 0.135 0.000 1.007 98 T CA -0.456 61.586 62.100 -0.097 0.000 1.005 98 T CB 0.274 69.117 68.868 -0.042 0.000 1.012 98 T HN 0.506 nan 8.240 nan 0.000 0.530 99 F N 1.154 121.164 119.950 0.100 0.000 2.065 99 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 99 F C 2.491 178.463 175.800 0.287 0.000 1.112 99 F CA 2.341 60.473 58.000 0.220 0.000 1.212 99 F CB -0.383 38.639 39.000 0.037 0.000 0.975 99 F HN 0.772 nan 8.300 nan 0.000 0.476 100 E N 0.417 120.813 120.200 0.328 0.000 2.106 100 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 100 E C 2.020 178.654 176.600 0.056 0.000 0.984 100 E CA 1.753 58.283 56.400 0.217 0.000 0.806 100 E CB -0.298 29.536 29.700 0.223 0.000 0.750 100 E HN 0.616 nan 8.360 nan 0.000 0.458 101 E N -0.962 119.203 120.200 -0.058 0.000 2.051 101 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 101 E C 1.896 178.210 176.600 -0.477 0.000 0.991 101 E CA 1.232 57.404 56.400 -0.379 0.000 0.799 101 E CB -0.281 29.263 29.700 -0.259 0.000 0.748 101 E HN 0.351 nan 8.360 nan 0.000 0.449 102 Y N -0.384 119.819 120.300 -0.162 0.000 2.181 102 Y HA -0.262 4.288 4.550 -0.001 0.000 0.288 102 Y C 2.247 178.063 175.900 -0.139 0.000 1.146 102 Y CA 1.317 59.321 58.100 -0.160 0.000 1.164 102 Y CB -0.791 37.682 38.460 0.021 0.000 0.982 102 Y HN 0.186 nan 8.280 nan 0.000 0.515 103 Y N 0.852 121.156 120.300 0.007 0.000 2.128 103 Y HA -0.283 4.266 4.550 -0.001 0.000 0.284 103 Y C 2.281 178.140 175.900 -0.070 0.000 1.154 103 Y CA 1.870 59.930 58.100 -0.067 0.000 1.149 103 Y CB -0.351 38.059 38.460 -0.084 0.000 0.976 103 Y HN 0.065 nan 8.280 nan 0.000 0.505 104 Q N -0.575 119.137 119.800 -0.146 0.000 2.079 104 Q HA -0.166 4.174 4.340 -0.001 0.000 0.200 104 Q C 2.068 178.067 176.000 -0.002 0.000 0.974 104 Q CA 2.184 57.893 55.803 -0.156 0.000 0.840 104 Q CB -0.578 28.140 28.738 -0.034 0.000 0.898 104 Q HN 0.789 nan 8.270 nan 0.000 0.430 105 H N -0.850 118.240 119.070 0.033 0.000 2.525 105 H HA 0.077 4.632 4.556 -0.001 0.000 0.275 105 H C 0.851 176.280 175.328 0.168 0.000 0.984 105 H CA 0.480 56.586 56.048 0.096 0.000 1.264 105 H CB 0.688 30.469 29.762 0.032 0.000 1.432 105 H HN 0.193 nan 8.280 nan 0.000 0.549 106 D N -0.881 119.629 120.400 0.183 0.000 3.081 106 D HA 0.004 4.643 4.640 -0.001 0.000 0.243 106 D C 1.761 178.122 176.300 0.102 0.000 1.388 106 D CA 0.523 54.627 54.000 0.174 0.000 1.245 106 D CB -0.025 40.806 40.800 0.051 0.000 1.319 106 D HN 0.054 nan 8.370 nan 0.000 0.377 107 T N 2.628 117.166 114.554 -0.026 0.000 2.788 107 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 107 T C 1.925 176.433 174.700 -0.319 0.000 1.044 107 T CA 1.528 63.558 62.100 -0.116 0.000 1.139 107 T CB -0.123 68.533 68.868 -0.353 0.000 0.867 107 T HN 0.259 nan 8.240 nan 0.000 0.454 108 K N 0.635 120.655 120.400 -0.633 0.000 2.211 108 K HA -0.129 4.191 4.320 -0.001 0.000 0.203 108 K C 1.908 178.228 176.600 -0.467 0.000 1.050 108 K CA 1.304 57.208 56.287 -0.639 0.000 0.945 108 K CB -0.343 31.609 32.500 -0.913 0.000 0.732 108 K HN 0.390 nan 8.250 nan 0.000 0.451 109 H N 1.165 120.159 119.070 -0.125 0.000 2.363 109 H HA 0.066 4.622 4.556 -0.001 0.000 0.301 109 H C 2.273 177.609 175.328 0.014 0.000 1.074 109 H CA 1.320 57.359 56.048 -0.016 0.000 1.354 109 H CB -0.162 29.619 29.762 0.032 0.000 1.397 109 H HN 0.173 nan 8.280 nan 0.000 0.516 110 I N 0.708 121.355 120.570 0.128 0.000 2.163 110 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 110 I C 2.409 178.543 176.117 0.030 0.000 1.085 110 I CA 1.127 62.556 61.300 0.215 0.000 1.347 110 I CB -0.254 37.937 38.000 0.318 0.000 1.044 110 I HN 0.094 nan 8.210 nan 0.000 0.408 111 L N -0.536 120.467 121.223 -0.367 0.000 2.109 111 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 111 L C 2.714 179.234 176.870 -0.584 0.000 1.086 111 L CA 1.084 55.464 54.840 -0.767 0.000 0.760 111 L CB -0.488 40.487 42.059 -1.806 0.000 0.910 111 L HN 0.225 nan 8.230 nan 0.000 0.437 112 S N 0.203 115.681 115.700 -0.369 0.000 2.368 112 S HA -0.148 4.322 4.470 -0.001 0.000 0.224 112 S C 1.819 176.408 174.600 -0.019 0.000 1.029 112 S CA 1.455 59.688 58.200 0.055 0.000 0.988 112 S CB -0.153 63.154 63.200 0.179 0.000 0.838 112 S HN 0.433 nan 8.310 nan 0.000 0.462 113 N N 1.683 120.371 118.700 -0.020 0.000 2.244 113 N HA 0.083 4.822 4.740 -0.001 0.000 0.183 113 N C 1.796 177.015 175.510 -0.484 0.000 1.016 113 N CA 1.142 54.136 53.050 -0.095 0.000 0.866 113 N CB -0.763 37.780 38.487 0.093 0.000 0.980 113 N HN 0.505 nan 8.380 nan 0.000 0.430 114 A N 1.050 123.628 122.820 -0.402 0.000 1.898 114 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 114 A C 2.184 179.509 177.584 -0.431 0.000 1.181 114 A CA 0.882 52.520 52.037 -0.666 0.000 0.620 114 A CB -0.684 18.212 19.000 -0.172 0.000 0.819 114 A HN 0.221 nan 8.150 nan 0.000 0.442 115 L N 0.201 121.311 121.223 -0.188 0.000 2.012 115 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 115 L C 2.465 179.260 176.870 -0.125 0.000 1.073 115 L CA 2.598 57.396 54.840 -0.070 0.000 0.748 115 L CB -0.719 41.368 42.059 0.047 0.000 0.891 115 L HN 0.510 nan 8.230 nan 0.000 0.431 116 R N -1.727 118.660 120.500 -0.189 0.000 2.062 116 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 116 R C 2.382 178.485 176.300 -0.328 0.000 1.136 116 R CA 1.629 57.595 56.100 -0.223 0.000 0.948 116 R CB -0.536 29.620 30.300 -0.241 0.000 0.845 116 R HN 0.557 nan 8.270 nan 0.000 0.430 117 H N 0.553 119.340 119.070 -0.471 0.000 2.387 117 H HA -0.087 4.469 4.556 -0.001 0.000 0.299 117 H C 2.244 177.359 175.328 -0.354 0.000 1.090 117 H CA 1.747 57.495 56.048 -0.501 0.000 1.332 117 H CB 0.029 29.206 29.762 -0.975 0.000 1.386 117 H HN 0.254 nan 8.280 nan 0.000 0.516 118 L N -0.255 120.797 121.223 -0.284 0.000 2.072 118 L HA -0.168 4.171 4.340 -0.001 0.000 0.205 118 L C 2.743 179.577 176.870 -0.060 0.000 1.079 118 L CA 1.047 55.804 54.840 -0.139 0.000 0.752 118 L CB -0.721 41.276 42.059 -0.103 0.000 0.906 118 L HN 0.387 nan 8.230 nan 0.000 0.436 119 H N 0.852 119.844 119.070 -0.129 0.000 2.289 119 H HA -0.223 4.332 4.556 -0.001 0.000 0.296 119 H C 1.379 176.656 175.328 -0.084 0.000 1.091 119 H CA 2.258 58.255 56.048 -0.085 0.000 1.274 119 H CB 0.160 29.869 29.762 -0.089 0.000 1.364 119 H HN 0.320 nan 8.280 nan 0.000 0.490 120 D N 0.401 120.729 120.400 -0.119 0.000 2.312 120 D HA -0.026 4.613 4.640 -0.001 0.000 0.211 120 D C 0.067 176.302 176.300 -0.109 0.000 0.964 120 D CA 0.585 54.496 54.000 -0.150 0.000 0.877 120 D CB -0.046 40.685 40.800 -0.116 0.000 0.924 120 D HN 0.330 nan 8.370 nan 0.000 0.515 121 N N 0.584 119.238 118.700 -0.076 0.000 2.804 121 N HA 0.138 4.878 4.740 -0.001 0.000 0.251 121 N C -2.114 173.394 175.510 -0.003 0.000 1.250 121 N CA -1.115 51.929 53.050 -0.009 0.000 0.820 121 N CB 2.206 40.717 38.487 0.039 0.000 1.156 121 N HN -0.127 nan 8.380 nan 0.000 0.512 122 P HA -0.174 nan 4.420 nan 0.000 0.218 122 P C 0.927 178.253 177.300 0.043 0.000 1.150 122 P CA 1.413 64.511 63.100 -0.003 0.000 0.841 122 P CB 0.489 32.182 31.700 -0.011 0.000 0.784 123 E N -1.890 118.365 120.200 0.093 0.000 2.442 123 E HA 0.051 4.400 4.350 -0.001 0.000 0.195 123 E C 0.880 177.612 176.600 0.220 0.000 1.030 123 E CA 0.078 56.575 56.400 0.162 0.000 0.869 123 E CB -0.453 29.374 29.700 0.212 0.000 0.857 123 E HN 0.270 nan 8.360 nan 0.000 0.505 124 M N 1.537 121.202 119.600 0.109 0.000 2.243 124 M HA 0.106 4.585 4.480 -0.001 0.000 0.341 124 M C -0.262 176.014 176.300 -0.039 0.000 1.130 124 M CA 0.238 55.492 55.300 -0.077 0.000 1.162 124 M CB 0.508 33.039 32.600 -0.115 0.000 1.497 124 M HN -0.349 nan 8.290 nan 0.000 0.456 125 K N 2.944 123.286 120.400 -0.097 0.000 2.444 125 K HA 0.655 4.974 4.320 -0.001 0.000 0.252 125 K C -1.755 174.879 176.600 0.057 0.000 0.993 125 K CA -0.527 55.764 56.287 0.007 0.000 0.847 125 K CB 2.270 34.802 32.500 0.054 0.000 1.340 125 K HN 0.673 nan 8.250 nan 0.000 0.446 126 F N 1.529 121.388 119.950 -0.152 0.000 2.654 126 F HA 0.410 4.936 4.527 -0.001 0.000 0.314 126 F C -1.513 174.171 175.800 -0.193 0.000 1.116 126 F CA -1.218 56.674 58.000 -0.179 0.000 1.017 126 F CB 0.961 39.931 39.000 -0.050 0.000 1.285 126 F HN 0.442 nan 8.300 nan 0.000 0.448 127 I N 2.104 122.327 120.570 -0.580 0.000 2.562 127 I HA 0.582 4.752 4.170 -0.001 0.000 0.301 127 I C -1.656 174.020 176.117 -0.736 0.000 1.003 127 I CA -0.599 60.323 61.300 -0.629 0.000 1.127 127 I CB 2.380 39.953 38.000 -0.713 0.000 1.304 127 I HN 0.703 nan 8.210 nan 0.000 0.446 128 W N 4.871 125.758 121.300 -0.688 0.000 2.739 128 W HA 0.638 5.298 4.660 -0.001 0.000 0.331 128 W C -0.679 175.744 176.519 -0.159 0.000 1.049 128 W CA -0.578 56.491 57.345 -0.459 0.000 1.234 128 W CB 2.631 31.869 29.460 -0.369 0.000 1.404 128 W HN 0.789 nan 8.180 nan 0.000 0.477 129 A N 3.511 125.925 122.820 -0.676 0.000 2.013 129 A HA 0.146 4.465 4.320 -0.001 0.000 0.204 129 A C 0.019 177.544 177.584 -0.099 0.000 1.262 129 A CA 0.436 52.334 52.037 -0.232 0.000 0.800 129 A CB 0.006 18.941 19.000 -0.108 0.000 0.909 129 A HN 0.524 nan 8.150 nan 0.000 0.472 130 E N 1.137 121.159 120.200 -0.296 0.000 1.963 130 E HA 0.285 4.634 4.350 -0.001 0.000 0.274 130 E C 0.484 177.267 176.600 0.306 0.000 1.061 130 E CA -0.288 56.127 56.400 0.024 0.000 0.847 130 E CB 0.641 30.345 29.700 0.006 0.000 1.083 130 E HN 0.283 nan 8.360 nan 0.000 0.402 131 I N 1.458 122.110 120.570 0.135 0.000 2.493 131 I HA -0.217 3.952 4.170 -0.001 0.000 0.254 131 I C 1.950 177.760 176.117 -0.511 0.000 1.160 131 I CA 0.979 62.287 61.300 0.014 0.000 1.445 131 I CB -1.432 36.618 38.000 0.083 0.000 1.086 131 I HN 0.403 nan 8.210 nan 0.000 0.433 132 S N 0.701 115.797 115.700 -1.007 0.000 2.365 132 S HA -0.261 4.208 4.470 -0.001 0.000 0.225 132 S C 2.200 176.498 174.600 -0.503 0.000 1.039 132 S CA 1.275 58.422 58.200 -1.755 0.000 1.033 132 S CB -1.169 61.046 63.200 -1.642 0.000 0.887 132 S HN 0.465 nan 8.310 nan 0.000 0.447 133 Y N 0.183 120.503 120.300 0.034 0.000 2.200 133 Y HA 0.007 4.556 4.550 -0.001 0.000 0.290 133 Y C 2.322 178.272 175.900 0.084 0.000 1.137 133 Y CA 1.137 59.353 58.100 0.193 0.000 1.163 133 Y CB -0.421 38.249 38.460 0.351 0.000 0.988 133 Y HN 0.273 nan 8.280 nan 0.000 0.518 134 F N 0.149 120.182 119.950 0.139 0.000 2.134 134 F HA -0.258 4.269 4.527 -0.001 0.000 0.299 134 F C 2.322 177.945 175.800 -0.296 0.000 1.097 134 F CA 1.229 59.173 58.000 -0.094 0.000 1.264 134 F CB -0.458 38.473 39.000 -0.116 0.000 1.001 134 F HN -0.007 nan 8.300 nan 0.000 0.479 135 A N 0.038 122.507 122.820 -0.584 0.000 1.898 135 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 135 A C 2.153 179.627 177.584 -0.184 0.000 1.181 135 A CA 1.683 53.196 52.037 -0.875 0.000 0.620 135 A CB -0.727 17.652 19.000 -1.035 0.000 0.819 135 A HN 0.370 nan 8.150 nan 0.000 0.442 136 R N -0.981 119.453 120.500 -0.111 0.000 2.091 136 R HA -0.153 4.187 4.340 -0.001 0.000 0.238 136 R C 1.747 178.003 176.300 -0.074 0.000 1.136 136 R CA 2.087 58.131 56.100 -0.092 0.000 0.959 136 R CB -0.863 29.308 30.300 -0.215 0.000 0.856 136 R HN 0.483 nan 8.270 nan 0.000 0.437 137 F N -0.318 119.553 119.950 -0.131 0.000 2.098 137 F HA -0.116 4.410 4.527 -0.001 0.000 0.294 137 F C 1.948 177.678 175.800 -0.116 0.000 1.107 137 F CA 1.613 59.599 58.000 -0.023 0.000 1.234 137 F CB -0.935 37.970 39.000 -0.159 0.000 1.002 137 F HN 0.109 nan 8.300 nan 0.000 0.472 138 Y N 0.601 120.675 120.300 -0.376 0.000 2.151 138 Y HA -0.304 4.245 4.550 -0.001 0.000 0.284 138 Y C 2.739 178.442 175.900 -0.328 0.000 1.166 138 Y CA 2.413 60.282 58.100 -0.386 0.000 1.163 138 Y CB -0.767 37.617 38.460 -0.127 0.000 0.974 138 Y HN 0.172 nan 8.280 nan 0.000 0.511 139 H N -0.995 118.086 119.070 0.019 0.000 2.546 139 H HA -0.067 4.488 4.556 -0.001 0.000 0.277 139 H C 0.939 176.171 175.328 -0.161 0.000 1.004 139 H CA 1.323 57.336 56.048 -0.059 0.000 1.231 139 H CB -0.026 29.752 29.762 0.027 0.000 1.382 139 H HN 0.454 nan 8.280 nan 0.000 0.580 140 D N 0.081 120.398 120.400 -0.139 0.000 2.350 140 D HA 0.087 4.727 4.640 -0.001 0.000 0.213 140 D C 0.641 176.767 176.300 -0.289 0.000 1.031 140 D CA 0.061 53.964 54.000 -0.162 0.000 0.861 140 D CB 0.409 41.151 40.800 -0.096 0.000 0.926 140 D HN 0.195 nan 8.370 nan 0.000 0.520 141 L N 0.509 121.457 121.223 -0.457 0.000 2.417 141 L HA 0.350 4.689 4.340 -0.001 0.000 0.268 141 L C 1.373 178.054 176.870 -0.315 0.000 1.158 141 L CA -0.623 53.938 54.840 -0.465 0.000 0.819 141 L CB 0.964 42.657 42.059 -0.610 0.000 1.112 141 L HN -0.039 nan 8.230 nan 0.000 0.458 142 G N 0.575 109.237 108.800 -0.229 0.000 2.606 142 G HA2 0.058 4.017 3.960 -0.001 0.000 0.252 142 G HA3 0.058 4.017 3.960 -0.001 0.000 0.252 142 G C 0.616 175.418 174.900 -0.163 0.000 1.206 142 G CA -0.285 44.721 45.100 -0.157 0.000 0.861 142 G HN 0.773 nan 8.290 nan 0.000 0.561 143 E N 0.049 120.183 120.200 -0.110 0.000 2.118 143 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 143 E C 2.185 178.745 176.600 -0.066 0.000 0.992 143 E CA 1.572 57.923 56.400 -0.083 0.000 0.804 143 E CB -0.121 29.556 29.700 -0.039 0.000 0.741 143 E HN 0.594 nan 8.360 nan 0.000 0.458 144 N N 0.043 118.705 118.700 -0.064 0.000 2.120 144 N HA -0.179 4.560 4.740 -0.001 0.000 0.188 144 N C 1.387 176.859 175.510 -0.063 0.000 1.024 144 N CA 1.190 54.208 53.050 -0.052 0.000 0.852 144 N CB 0.036 38.491 38.487 -0.054 0.000 1.003 144 N HN 0.012 nan 8.380 nan 0.000 0.424 145 K N 1.280 121.623 120.400 -0.094 0.000 2.148 145 K HA -0.016 4.303 4.320 -0.001 0.000 0.204 145 K C 2.005 178.567 176.600 -0.063 0.000 1.050 145 K CA 0.665 56.896 56.287 -0.093 0.000 0.942 145 K CB -0.178 32.243 32.500 -0.132 0.000 0.724 145 K HN 0.327 nan 8.250 nan 0.000 0.446 146 K N 0.735 121.057 120.400 -0.130 0.000 2.057 146 K HA -0.034 4.285 4.320 -0.001 0.000 0.207 146 K C 2.242 178.917 176.600 0.127 0.000 1.049 146 K CA 0.915 57.144 56.287 -0.096 0.000 0.931 146 K CB -0.136 32.191 32.500 -0.290 0.000 0.714 146 K HN 0.051 nan 8.250 nan 0.000 0.440 147 L N 0.861 122.124 121.223 0.066 0.000 2.056 147 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 147 L C 2.546 179.476 176.870 0.100 0.000 1.078 147 L CA 1.265 56.160 54.840 0.091 0.000 0.749 147 L CB -0.367 41.722 42.059 0.050 0.000 0.901 147 L HN 0.262 nan 8.230 nan 0.000 0.433 148 Q N -0.833 119.005 119.800 0.064 0.000 2.084 148 Q HA -0.261 4.078 4.340 -0.001 0.000 0.202 148 Q C 2.204 178.286 176.000 0.138 0.000 0.978 148 Q CA 1.705 57.550 55.803 0.069 0.000 0.844 148 Q CB -0.121 28.597 28.738 -0.033 0.000 0.898 148 Q HN 0.337 nan 8.270 nan 0.000 0.426 149 M N 1.002 120.715 119.600 0.188 0.000 2.117 149 M HA -0.154 4.325 4.480 -0.001 0.000 0.262 149 M C 1.536 178.017 176.300 0.303 0.000 1.065 149 M CA 1.760 57.240 55.300 0.300 0.000 1.114 149 M CB 0.049 32.929 32.600 0.467 0.000 1.361 149 M HN -0.102 nan 8.290 nan 0.000 0.408 150 K N -0.361 120.212 120.400 0.290 0.000 2.147 150 K HA -0.118 4.201 4.320 -0.001 0.000 0.205 150 K C 2.088 178.784 176.600 0.160 0.000 1.049 150 K CA 1.643 58.068 56.287 0.231 0.000 0.936 150 K CB -0.397 32.223 32.500 0.200 0.000 0.722 150 K HN 0.613 nan 8.250 nan 0.000 0.446 151 S N 1.674 117.459 115.700 0.142 0.000 2.387 151 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 151 S C 2.115 176.773 174.600 0.097 0.000 1.026 151 S CA 0.990 59.255 58.200 0.107 0.000 0.972 151 S CB -0.649 62.614 63.200 0.105 0.000 0.814 151 S HN 0.454 nan 8.310 nan 0.000 0.477 152 I N -0.566 120.072 120.570 0.114 0.000 2.928 152 I HA 0.106 4.275 4.170 -0.001 0.000 0.266 152 I C 1.944 178.098 176.117 0.062 0.000 1.234 152 I CA 0.463 61.812 61.300 0.082 0.000 1.483 152 I CB -0.358 37.693 38.000 0.084 0.000 1.097 152 I HN 0.136 nan 8.210 nan 0.000 0.455 153 V N 1.545 121.515 119.914 0.093 0.000 2.379 153 V HA -0.171 3.949 4.120 -0.001 0.000 0.243 153 V C 2.692 178.821 176.094 0.059 0.000 1.035 153 V CA 1.895 64.237 62.300 0.069 0.000 1.035 153 V CB -0.643 31.285 31.823 0.176 0.000 0.673 153 V HN 0.406 nan 8.190 nan 0.000 0.457 154 K N 0.680 121.124 120.400 0.073 0.000 2.074 154 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 154 K C 1.672 178.290 176.600 0.031 0.000 1.048 154 K CA 1.841 58.158 56.287 0.050 0.000 0.926 154 K CB -0.162 32.370 32.500 0.053 0.000 0.713 154 K HN 0.471 nan 8.250 nan 0.000 0.444 155 N N -0.490 118.228 118.700 0.031 0.000 2.521 155 N HA -0.011 4.729 4.740 -0.001 0.000 0.188 155 N C 0.875 176.390 175.510 0.008 0.000 1.146 155 N CA 1.087 54.148 53.050 0.019 0.000 0.893 155 N CB 0.876 39.376 38.487 0.021 0.000 0.975 155 N HN 0.498 nan 8.380 nan 0.000 0.451 156 G N 1.049 109.850 108.800 0.001 0.000 2.176 156 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.253 156 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.253 156 G C 0.913 175.799 174.900 -0.023 0.000 0.979 156 G CA 0.323 45.413 45.100 -0.017 0.000 0.641 156 G HN 0.381 nan 8.290 nan 0.000 0.530 157 Q N -1.116 118.679 119.800 -0.009 0.000 2.137 157 Q HA 0.232 4.571 4.340 -0.001 0.000 0.198 157 Q C 1.137 177.130 176.000 -0.013 0.000 0.960 157 Q CA 0.793 56.595 55.803 -0.001 0.000 0.847 157 Q CB 0.229 28.973 28.738 0.010 0.000 0.915 157 Q HN 0.466 nan 8.270 nan 0.000 0.448 158 L N 1.533 122.727 121.223 -0.047 0.000 2.287 158 L HA 0.398 4.738 4.340 -0.001 0.000 0.287 158 L C -1.085 175.604 176.870 -0.302 0.000 1.022 158 L CA 0.000 54.765 54.840 -0.126 0.000 0.814 158 L CB 1.529 43.523 42.059 -0.108 0.000 1.217 158 L HN 0.086 nan 8.230 nan 0.000 0.420 159 E N 4.568 124.545 120.200 -0.372 0.000 2.234 159 E HA 0.398 4.748 4.350 -0.001 0.000 0.266 159 E C -1.585 174.723 176.600 -0.486 0.000 0.877 159 E CA -0.661 55.522 56.400 -0.361 0.000 0.758 159 E CB 1.543 31.117 29.700 -0.210 0.000 1.170 159 E HN 0.482 nan 8.360 nan 0.000 0.415 160 F N 3.005 122.900 119.950 -0.091 0.000 2.396 160 F HA 0.263 4.789 4.527 -0.001 0.000 0.343 160 F C 0.238 175.999 175.800 -0.064 0.000 1.104 160 F CA -0.600 57.358 58.000 -0.069 0.000 1.161 160 F CB 1.341 40.315 39.000 -0.044 0.000 1.146 160 F HN 0.196 nan 8.300 nan 0.000 0.522 161 V N -0.117 119.850 119.914 0.087 0.000 2.495 161 V HA 0.633 4.753 4.120 -0.001 0.000 0.298 161 V C 0.184 176.404 176.094 0.210 0.000 1.031 161 V CA -0.541 61.808 62.300 0.081 0.000 0.871 161 V CB 0.844 32.593 31.823 -0.123 0.000 0.988 161 V HN 1.003 nan 8.190 nan 0.000 0.432 162 T N 3.205 117.963 114.554 0.339 0.000 13.132 162 T HA -0.292 4.057 4.350 -0.001 0.000 0.419 162 T C 1.693 176.624 174.700 0.385 0.000 1.442 162 T CA 2.778 65.129 62.100 0.418 0.000 2.366 162 T CB -1.687 67.325 68.868 0.240 0.000 2.813 162 T HN 2.782 nan 8.240 nan 0.000 0.650 163 G N 1.851 110.815 108.800 0.274 0.000 2.137 163 G HA2 0.131 4.090 3.960 -0.001 0.000 0.237 163 G HA3 0.131 4.090 3.960 -0.001 0.000 0.237 163 G C 0.264 175.307 174.900 0.239 0.000 1.002 163 G CA 0.575 45.814 45.100 0.232 0.000 0.702 163 G HN 1.546 nan 8.290 nan 0.000 0.515 164 G N -1.688 107.251 108.800 0.232 0.000 2.537 164 G HA2 0.400 4.359 3.960 -0.001 0.000 0.273 164 G HA3 0.400 4.359 3.960 -0.001 0.000 0.273 164 G C 0.934 176.008 174.900 0.291 0.000 1.189 164 G CA 0.093 45.339 45.100 0.244 0.000 0.881 164 G HN 0.343 nan 8.290 nan 0.000 0.535 165 W N 0.532 121.877 121.300 0.075 0.000 2.350 165 W HA -0.035 4.624 4.660 -0.001 0.000 0.289 165 W C 0.627 177.176 176.519 0.050 0.000 1.215 165 W CA 1.851 59.225 57.345 0.048 0.000 1.236 165 W CB 0.276 29.744 29.460 0.014 0.000 1.130 165 W HN 0.410 nan 8.180 nan 0.000 0.541 166 V N -2.745 117.286 119.914 0.195 0.000 3.103 166 V HA 0.508 4.628 4.120 -0.001 0.000 0.311 166 V C -0.523 175.655 176.094 0.140 0.000 1.322 166 V CA -1.287 61.072 62.300 0.098 0.000 1.063 166 V CB 1.738 33.636 31.823 0.124 0.000 1.090 166 V HN -0.063 nan 8.190 nan 0.000 0.462 167 M N 3.915 123.627 119.600 0.185 0.000 2.060 167 M HA 0.541 5.021 4.480 -0.001 0.000 0.342 167 M C -2.750 173.712 176.300 0.271 0.000 1.031 167 M CA -1.903 53.520 55.300 0.205 0.000 0.981 167 M CB 1.643 34.386 32.600 0.238 0.000 1.376 167 M HN 0.665 nan 8.290 nan 0.000 0.397 168 P HA 0.102 nan 4.420 nan 0.000 0.274 168 P C -0.942 176.374 177.300 0.026 0.000 1.231 168 P CA -0.107 63.048 63.100 0.092 0.000 0.790 168 P CB 0.561 32.298 31.700 0.061 0.000 0.951 169 D N 0.715 121.090 120.400 -0.041 0.000 2.449 169 D HA -0.065 4.575 4.640 -0.001 0.000 0.236 169 D C 0.652 176.963 176.300 0.019 0.000 1.149 169 D CA 0.604 54.557 54.000 -0.077 0.000 0.878 169 D CB 0.415 41.179 40.800 -0.060 0.000 1.198 169 D HN 0.313 nan 8.370 nan 0.000 0.446 170 E N 1.361 121.618 120.200 0.095 0.000 2.526 170 E HA 0.197 4.546 4.350 -0.001 0.000 0.208 170 E C 0.836 177.621 176.600 0.309 0.000 0.997 170 E CA 0.014 56.537 56.400 0.205 0.000 0.961 170 E CB 0.691 30.526 29.700 0.224 0.000 1.030 170 E HN 0.487 nan 8.360 nan 0.000 0.483 171 A N 1.353 124.302 122.820 0.215 0.000 1.901 171 A HA 0.028 4.347 4.320 -0.001 0.000 0.210 171 A C 1.803 179.281 177.584 -0.177 0.000 1.208 171 A CA 0.531 52.472 52.037 -0.160 0.000 0.644 171 A CB 0.050 18.908 19.000 -0.237 0.000 0.863 171 A HN 0.035 nan 8.150 nan 0.000 0.454 172 N N 0.758 119.441 118.700 -0.028 0.000 2.392 172 N HA 0.009 4.748 4.740 -0.001 0.000 0.177 172 N C 0.427 175.923 175.510 -0.022 0.000 1.066 172 N CA 0.750 53.776 53.050 -0.040 0.000 0.895 172 N CB 0.052 38.560 38.487 0.035 0.000 0.988 172 N HN 0.502 nan 8.380 nan 0.000 0.457 173 S N 0.722 116.419 115.700 -0.005 0.000 2.562 173 S HA 0.041 4.510 4.470 -0.001 0.000 0.281 173 S C 0.011 174.621 174.600 0.017 0.000 1.333 173 S CA -0.551 57.655 58.200 0.010 0.000 1.052 173 S CB 1.218 64.429 63.200 0.017 0.000 0.884 173 S HN 0.207 nan 8.310 nan 0.000 0.506 174 H N 3.051 122.096 119.070 -0.042 0.000 2.582 174 H HA 0.066 4.621 4.556 -0.001 0.000 0.345 174 H C 1.195 176.486 175.328 -0.063 0.000 1.104 174 H CA -0.436 55.572 56.048 -0.066 0.000 1.390 174 H CB 0.580 30.256 29.762 -0.144 0.000 1.461 174 H HN 1.026 nan 8.280 nan 0.000 0.551 175 W N 5.588 126.843 121.300 -0.076 0.000 2.350 175 W HA -0.149 4.511 4.660 -0.001 0.000 0.289 175 W C 1.058 177.654 176.519 0.129 0.000 1.215 175 W CA 0.318 57.670 57.345 0.011 0.000 1.236 175 W CB -0.454 28.958 29.460 -0.081 0.000 1.130 175 W HN 0.527 nan 8.180 nan 0.000 0.541 176 R N 0.794 120.869 120.500 -0.709 0.000 2.096 176 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 176 R C 2.023 178.142 176.300 -0.302 0.000 1.127 176 R CA 1.869 57.456 56.100 -0.856 0.000 0.968 176 R CB -0.410 29.329 30.300 -0.934 0.000 0.861 176 R HN 0.125 nan 8.270 nan 0.000 0.440 177 N N -0.155 118.453 118.700 -0.154 0.000 2.354 177 N HA -0.065 4.675 4.740 -0.001 0.000 0.179 177 N C 1.710 177.216 175.510 -0.005 0.000 1.021 177 N CA 0.713 53.723 53.050 -0.068 0.000 0.887 177 N CB -0.017 38.451 38.487 -0.033 0.000 0.974 177 N HN 0.001 nan 8.380 nan 0.000 0.437 178 V N 1.351 121.286 119.914 0.035 0.000 2.343 178 V HA -0.162 3.958 4.120 -0.001 0.000 0.247 178 V C 2.310 178.446 176.094 0.071 0.000 1.051 178 V CA 1.027 63.368 62.300 0.070 0.000 1.036 178 V CB -0.454 31.434 31.823 0.108 0.000 0.654 178 V HN 0.193 nan 8.190 nan 0.000 0.451 179 L N -0.241 121.033 121.223 0.085 0.000 2.056 179 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 179 L C 2.178 179.059 176.870 0.017 0.000 1.078 179 L CA 1.832 56.717 54.840 0.076 0.000 0.749 179 L CB -0.695 41.443 42.059 0.132 0.000 0.901 179 L HN 0.286 nan 8.230 nan 0.000 0.433 180 L N -0.015 121.195 121.223 -0.022 0.000 2.012 180 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 180 L C 2.569 179.429 176.870 -0.017 0.000 1.073 180 L CA 2.365 57.182 54.840 -0.038 0.000 0.748 180 L CB -0.781 41.236 42.059 -0.071 0.000 0.891 180 L HN 0.682 nan 8.230 nan 0.000 0.431 181 Q N -0.995 118.817 119.800 0.019 0.000 2.172 181 Q HA -0.181 4.159 4.340 -0.001 0.000 0.200 181 Q C 2.018 178.101 176.000 0.138 0.000 0.964 181 Q CA 1.982 57.831 55.803 0.077 0.000 0.855 181 Q CB -1.120 27.700 28.738 0.135 0.000 0.918 181 Q HN 0.483 nan 8.270 nan 0.000 0.444 182 L N 0.813 122.102 121.223 0.111 0.000 2.046 182 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 182 L C 1.905 178.856 176.870 0.135 0.000 1.077 182 L CA 2.403 57.324 54.840 0.134 0.000 0.747 182 L CB -0.961 41.155 42.059 0.094 0.000 0.896 182 L HN 0.320 nan 8.230 nan 0.000 0.432 183 T N -0.950 113.651 114.554 0.079 0.000 2.746 183 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 183 T C 1.723 176.475 174.700 0.088 0.000 1.039 183 T CA 1.453 63.592 62.100 0.065 0.000 1.142 183 T CB -0.204 68.672 68.868 0.014 0.000 0.866 183 T HN 0.337 nan 8.240 nan 0.000 0.444 184 E N 1.020 121.245 120.200 0.042 0.000 2.058 184 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 184 E C 2.340 179.062 176.600 0.203 0.000 0.997 184 E CA 1.599 57.986 56.400 -0.023 0.000 0.801 184 E CB -0.875 28.634 29.700 -0.319 0.000 0.746 184 E HN 0.455 nan 8.360 nan 0.000 0.450 185 G N -0.142 108.873 108.800 0.358 0.000 2.402 185 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.216 185 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.216 185 G C 1.484 176.603 174.900 0.365 0.000 1.162 185 G CA 0.676 46.076 45.100 0.500 0.000 0.777 185 G HN 0.268 nan 8.290 nan 0.000 0.539 186 Q N -0.159 119.792 119.800 0.252 0.000 2.167 186 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 186 Q C 2.777 178.873 176.000 0.160 0.000 0.970 186 Q CA 1.460 57.371 55.803 0.180 0.000 0.855 186 Q CB -0.219 28.607 28.738 0.147 0.000 0.911 186 Q HN 0.411 nan 8.270 nan 0.000 0.438 187 T N 0.065 114.726 114.554 0.179 0.000 2.821 187 T HA -0.174 4.176 4.350 -0.001 0.000 0.267 187 T C 1.070 175.877 174.700 0.177 0.000 1.046 187 T CA 1.012 63.196 62.100 0.138 0.000 1.139 187 T CB -0.324 68.620 68.868 0.128 0.000 0.871 187 T HN 0.479 nan 8.240 nan 0.000 0.454 188 W N 1.603 123.003 121.300 0.167 0.000 2.355 188 W HA 0.001 4.660 4.660 -0.001 0.000 0.309 188 W C 1.751 178.387 176.519 0.195 0.000 1.206 188 W CA 0.805 58.331 57.345 0.301 0.000 1.284 188 W CB -0.446 29.256 29.460 0.403 0.000 1.145 188 W HN 0.128 nan 8.180 nan 0.000 0.502 189 L N 0.756 122.185 121.223 0.344 0.000 2.079 189 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 189 L C 2.588 179.379 176.870 -0.132 0.000 1.081 189 L CA 1.936 56.797 54.840 0.036 0.000 0.752 189 L CB -0.926 41.100 42.059 -0.054 0.000 0.896 189 L HN 0.007 nan 8.230 nan 0.000 0.433 190 K N -0.010 120.340 120.400 -0.085 0.000 2.057 190 K HA -0.254 4.065 4.320 -0.001 0.000 0.206 190 K C 2.204 178.663 176.600 -0.235 0.000 1.050 190 K CA 1.532 57.745 56.287 -0.123 0.000 0.935 190 K CB -0.032 32.424 32.500 -0.073 0.000 0.715 190 K HN 0.244 nan 8.250 nan 0.000 0.439 191 Q N -0.743 118.851 119.800 -0.344 0.000 2.046 191 Q HA -0.141 4.198 4.340 -0.001 0.000 0.200 191 Q C 1.507 176.988 176.000 -0.865 0.000 0.975 191 Q CA 1.799 57.233 55.803 -0.615 0.000 0.836 191 Q CB 0.019 28.283 28.738 -0.790 0.000 0.896 191 Q HN 0.352 nan 8.270 nan 0.000 0.428 192 F N -1.399 118.169 119.950 -0.638 0.000 2.582 192 F HA 0.111 4.638 4.527 -0.001 0.000 0.290 192 F C 1.684 177.171 175.800 -0.523 0.000 1.115 192 F CA 0.100 57.666 58.000 -0.722 0.000 1.445 192 F CB 0.448 38.572 39.000 -1.461 0.000 1.126 192 F HN 0.102 nan 8.300 nan 0.000 0.574 193 M N -0.969 118.455 119.600 -0.294 0.000 2.308 193 M HA 0.216 4.695 4.480 -0.001 0.000 0.269 193 M C 0.297 176.562 176.300 -0.059 0.000 1.040 193 M CA 0.224 55.459 55.300 -0.107 0.000 1.024 193 M CB -0.965 31.594 32.600 -0.069 0.000 1.465 193 M HN 0.091 nan 8.290 nan 0.000 0.517 194 N N 2.013 120.643 118.700 -0.115 0.000 2.740 194 N HA -0.132 4.607 4.740 -0.001 0.000 0.248 194 N C -1.046 174.439 175.510 -0.042 0.000 1.062 194 N CA 0.720 53.722 53.050 -0.081 0.000 0.704 194 N CB -0.985 37.469 38.487 -0.055 0.000 0.968 194 N HN 0.366 nan 8.380 nan 0.000 0.547 195 V N -3.781 116.109 119.914 -0.040 0.000 3.012 195 V HA 0.848 4.967 4.120 -0.001 0.000 0.307 195 V C -0.010 176.066 176.094 -0.029 0.000 1.166 195 V CA -0.522 61.771 62.300 -0.011 0.000 0.974 195 V CB 2.289 34.151 31.823 0.064 0.000 1.040 195 V HN 0.051 nan 8.190 nan 0.000 0.428 196 T N 4.007 118.534 114.554 -0.045 0.000 2.930 196 T HA 0.568 4.917 4.350 -0.001 0.000 0.313 196 T C -2.729 171.885 174.700 -0.143 0.000 1.019 196 T CA -0.801 61.253 62.100 -0.076 0.000 1.004 196 T CB 1.363 70.178 68.868 -0.090 0.000 0.987 196 T HN 0.756 nan 8.240 nan 0.000 0.456 197 P HA 0.144 nan 4.420 nan 0.000 0.266 197 P C 0.833 177.743 177.300 -0.650 0.000 1.195 197 P CA -0.069 62.911 63.100 -0.199 0.000 0.768 197 P CB 0.527 32.223 31.700 -0.007 0.000 0.838 198 T N -1.413 112.815 114.554 -0.543 0.000 3.043 198 T HA 0.542 4.891 4.350 -0.001 0.000 0.272 198 T C 0.331 174.830 174.700 -0.335 0.000 0.990 198 T CA -0.291 61.362 62.100 -0.746 0.000 0.897 198 T CB 0.169 68.818 68.868 -0.364 0.000 1.111 198 T HN 0.402 nan 8.240 nan 0.000 0.529 199 A N 0.810 123.593 122.820 -0.061 0.000 2.355 199 A HA 0.805 5.125 4.320 -0.001 0.000 0.317 199 A C -0.192 177.662 177.584 0.449 0.000 1.094 199 A CA -0.702 51.466 52.037 0.218 0.000 0.764 199 A CB 1.851 20.994 19.000 0.238 0.000 1.230 199 A HN 0.251 nan 8.150 nan 0.000 0.448 200 S N 1.976 117.936 115.700 0.432 0.000 2.549 200 S HA 0.681 5.151 4.470 -0.001 0.000 0.297 200 S C -1.156 173.643 174.600 0.332 0.000 1.115 200 S CA -0.431 57.964 58.200 0.325 0.000 1.059 200 S CB 0.754 63.971 63.200 0.029 0.000 1.046 200 S HN 0.803 nan 8.310 nan 0.000 0.506 201 W N 4.586 125.906 121.300 0.032 0.000 2.587 201 W HA 0.632 5.291 4.660 -0.001 0.000 0.324 201 W C -1.527 174.940 176.519 -0.087 0.000 1.008 201 W CA -0.835 56.480 57.345 -0.050 0.000 1.265 201 W CB 1.108 30.509 29.460 -0.099 0.000 1.328 201 W HN 0.779 nan 8.180 nan 0.000 0.432 202 A N 7.873 130.547 122.820 -0.243 0.000 2.763 202 A HA 0.310 4.629 4.320 -0.001 0.000 0.325 202 A C 0.212 177.529 177.584 -0.445 0.000 1.209 202 A CA -0.499 51.393 52.037 -0.243 0.000 0.764 202 A CB -0.271 18.710 19.000 -0.032 0.000 1.120 202 A HN 0.706 nan 8.150 nan 0.000 0.463 203 I N -2.485 117.640 120.570 -0.742 0.000 3.860 203 I HA 0.301 4.471 4.170 -0.001 0.000 0.319 203 I C 0.757 176.521 176.117 -0.589 0.000 1.279 203 I CA 0.709 61.534 61.300 -0.791 0.000 1.220 203 I CB 0.438 37.698 38.000 -1.233 0.000 1.027 203 I HN 0.344 nan 8.210 nan 0.000 0.428 204 D N 0.421 120.439 120.400 -0.636 0.000 2.489 204 D HA 0.248 4.887 4.640 -0.001 0.000 0.231 204 D C -2.145 173.713 176.300 -0.738 0.000 1.114 204 D CA -0.797 52.840 54.000 -0.605 0.000 0.842 204 D CB 0.100 40.495 40.800 -0.676 0.000 1.133 204 D HN 0.152 nan 8.370 nan 0.000 0.506 205 P HA 0.004 nan 4.420 nan 0.000 0.266 205 P C -0.544 176.281 177.300 -0.792 0.000 1.193 205 P CA 0.210 62.759 63.100 -0.918 0.000 0.770 205 P CB 0.184 31.515 31.700 -0.616 0.000 0.836 206 F N 2.379 122.094 119.950 -0.391 0.000 2.605 206 F HA 0.540 5.067 4.527 -0.001 0.000 0.352 206 F C 1.409 177.159 175.800 -0.085 0.000 1.236 206 F CA -0.604 57.125 58.000 -0.450 0.000 1.267 206 F CB -1.110 37.781 39.000 -0.183 0.000 1.632 206 F HN 0.476 nan 8.300 nan 0.000 0.639 207 G N 1.277 109.848 108.800 -0.382 0.000 2.619 207 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.686 207 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.686 207 G C -1.543 173.002 174.900 -0.593 0.000 1.256 207 G CA -1.179 43.818 45.100 -0.171 0.000 0.826 207 G HN 0.614 nan 8.290 nan 0.000 0.619 208 H N -0.601 118.180 119.070 -0.481 0.000 2.768 208 H HA 0.765 5.320 4.556 -0.001 0.000 0.371 208 H C -0.359 174.811 175.328 -0.262 0.000 1.151 208 H CA 0.035 55.967 56.048 -0.194 0.000 1.165 208 H CB 2.074 31.902 29.762 0.109 0.000 1.722 208 H HN 0.685 nan 8.280 nan 0.000 0.543 209 S N 2.085 117.893 115.700 0.179 0.000 2.501 209 S HA 0.266 4.736 4.470 -0.001 0.000 0.301 209 S C -1.794 172.786 174.600 -0.034 0.000 1.096 209 S CA -1.796 56.511 58.200 0.178 0.000 1.063 209 S CB 1.361 64.725 63.200 0.274 0.000 1.042 209 S HN 0.451 nan 8.310 nan 0.000 0.494 210 P HA 0.020 nan 4.420 nan 0.000 0.233 210 P C 1.080 178.098 177.300 -0.471 0.000 1.167 210 P CA 0.737 63.370 63.100 -0.780 0.000 0.770 210 P CB -0.257 31.142 31.700 -0.502 0.000 0.837 211 T N -0.127 114.301 114.554 -0.210 0.000 2.849 211 T HA -0.093 4.256 4.350 -0.001 0.000 0.270 211 T C 1.817 176.476 174.700 -0.070 0.000 1.066 211 T CA 1.169 63.203 62.100 -0.109 0.000 1.130 211 T CB -0.389 68.461 68.868 -0.031 0.000 0.864 211 T HN 0.001 nan 8.240 nan 0.000 0.481 212 M N 0.933 120.445 119.600 -0.148 0.000 2.077 212 M HA 0.012 4.491 4.480 -0.001 0.000 0.261 212 M C -0.580 175.591 176.300 -0.215 0.000 1.070 212 M CA 1.181 56.397 55.300 -0.139 0.000 1.125 212 M CB -2.472 30.073 32.600 -0.092 0.000 1.339 212 M HN 0.134 nan 8.290 nan 0.000 0.409 213 P HA -0.200 nan 4.420 nan 0.000 0.218 213 P C 1.662 178.845 177.300 -0.195 0.000 1.149 213 P CA 1.420 64.348 63.100 -0.287 0.000 0.817 213 P CB -0.409 31.047 31.700 -0.407 0.000 0.785 214 Y N 1.294 121.412 120.300 -0.303 0.000 2.053 214 Y HA -0.224 4.325 4.550 -0.001 0.000 0.277 214 Y C 2.438 178.259 175.900 -0.133 0.000 1.159 214 Y CA 1.735 59.718 58.100 -0.195 0.000 1.125 214 Y CB -1.066 37.293 38.460 -0.168 0.000 0.969 214 Y HN -0.232 nan 8.280 nan 0.000 0.492 215 I N -0.504 120.064 120.570 -0.002 0.000 2.252 215 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 215 I C 2.322 178.358 176.117 -0.135 0.000 1.102 215 I CA 1.234 62.502 61.300 -0.055 0.000 1.385 215 I CB -0.461 37.581 38.000 0.070 0.000 1.064 215 I HN 0.267 nan 8.210 nan 0.000 0.414 216 L N 0.111 121.209 121.223 -0.208 0.000 2.017 216 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 216 L C 2.703 179.549 176.870 -0.040 0.000 1.073 216 L CA 1.235 55.887 54.840 -0.314 0.000 0.745 216 L CB -0.770 40.908 42.059 -0.635 0.000 0.894 216 L HN 0.342 nan 8.230 nan 0.000 0.432 217 Q N 1.218 120.965 119.800 -0.089 0.000 2.226 217 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 217 Q C 1.581 177.539 176.000 -0.069 0.000 0.975 217 Q CA 1.532 57.306 55.803 -0.049 0.000 0.866 217 Q CB 0.090 28.772 28.738 -0.094 0.000 0.915 217 Q HN 0.475 nan 8.270 nan 0.000 0.440 218 K N -0.527 119.788 120.400 -0.141 0.000 2.417 218 K HA 0.130 4.450 4.320 -0.001 0.000 0.196 218 K C 0.522 177.083 176.600 -0.066 0.000 1.023 218 K CA 0.038 56.236 56.287 -0.149 0.000 1.122 218 K CB 0.562 32.898 32.500 -0.273 0.000 0.850 218 K HN -0.089 nan 8.250 nan 0.000 0.521 219 S N -0.161 115.557 115.700 0.030 0.000 2.843 219 S HA 0.203 4.672 4.470 -0.001 0.000 0.249 219 S C 0.736 175.438 174.600 0.170 0.000 1.047 219 S CA 0.072 58.337 58.200 0.108 0.000 1.042 219 S CB 1.308 64.615 63.200 0.178 0.000 0.936 219 S HN 0.529 nan 8.310 nan 0.000 0.531 220 G N 1.216 110.066 108.800 0.083 0.000 2.179 220 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.260 220 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.260 220 G C -0.003 174.879 174.900 -0.031 0.000 0.977 220 G CA -0.281 44.816 45.100 -0.006 0.000 0.641 220 G HN 0.448 nan 8.290 nan 0.000 0.533 221 F N 0.361 120.270 119.950 -0.068 0.000 2.450 221 F HA 0.551 5.077 4.527 -0.001 0.000 0.339 221 F C 1.680 177.421 175.800 -0.098 0.000 1.146 221 F CA 0.396 58.351 58.000 -0.074 0.000 1.267 221 F CB 1.004 39.965 39.000 -0.065 0.000 1.178 221 F HN -0.072 nan 8.300 nan 0.000 0.585 222 K N 0.391 120.809 120.400 0.031 0.000 2.464 222 K HA 0.229 4.548 4.320 -0.001 0.000 0.206 222 K C -0.426 176.110 176.600 -0.108 0.000 1.186 222 K CA 0.058 56.303 56.287 -0.071 0.000 0.990 222 K CB 0.495 32.904 32.500 -0.152 0.000 1.003 222 K HN 0.499 nan 8.250 nan 0.000 0.562 223 N N 0.848 119.469 118.700 -0.131 0.000 2.484 223 N HA 0.385 5.124 4.740 -0.001 0.000 0.269 223 N C -1.307 174.054 175.510 -0.249 0.000 1.237 223 N CA -0.496 52.311 53.050 -0.405 0.000 0.838 223 N CB 2.285 39.972 38.487 -1.333 0.000 1.593 223 N HN -0.051 nan 8.380 nan 0.000 0.485 224 M N -0.394 119.069 119.600 -0.228 0.000 2.520 224 M HA 0.625 5.104 4.480 -0.001 0.000 0.283 224 M C -2.020 174.353 176.300 0.122 0.000 1.237 224 M CA -0.944 54.359 55.300 0.004 0.000 0.885 224 M CB 2.900 35.490 32.600 -0.016 0.000 1.727 224 M HN 0.473 nan 8.290 nan 0.000 0.468 225 L N 3.807 125.118 121.223 0.147 0.000 2.408 225 L HA 0.882 5.221 4.340 -0.001 0.000 0.268 225 L C -1.517 175.237 176.870 -0.193 0.000 0.986 225 L CA -0.729 54.154 54.840 0.072 0.000 0.820 225 L CB 2.037 44.192 42.059 0.160 0.000 1.303 225 L HN 0.947 nan 8.230 nan 0.000 0.411 226 I N 0.993 121.355 120.570 -0.347 0.000 2.934 226 I HA 0.609 4.779 4.170 -0.001 0.000 0.306 226 I C -0.703 175.111 176.117 -0.505 0.000 1.110 226 I CA -0.574 60.334 61.300 -0.654 0.000 1.019 226 I CB 2.269 39.598 38.000 -1.118 0.000 1.227 226 I HN 0.764 nan 8.210 nan 0.000 0.434 227 Q N 2.448 122.016 119.800 -0.387 0.000 2.563 227 Q HA 0.338 4.677 4.340 -0.001 0.000 0.236 227 Q C 0.032 175.916 176.000 -0.193 0.000 0.792 227 Q CA 0.349 55.995 55.803 -0.261 0.000 0.960 227 Q CB 0.547 29.128 28.738 -0.263 0.000 1.304 227 Q HN 0.662 nan 8.270 nan 0.000 0.566 228 R N 2.090 122.482 120.500 -0.180 0.000 2.612 228 R HA 0.320 4.659 4.340 -0.001 0.000 0.273 228 R C -0.695 175.326 176.300 -0.465 0.000 1.376 228 R CA 0.626 56.385 56.100 -0.570 0.000 1.171 228 R CB 0.140 29.752 30.300 -1.147 0.000 1.151 228 R HN 0.403 nan 8.270 nan 0.000 0.560 229 T N -2.412 112.100 114.554 -0.070 0.000 2.916 229 T HA 0.135 4.485 4.350 -0.001 0.000 0.292 229 T C -0.045 174.908 174.700 0.422 0.000 1.055 229 T CA -0.920 61.270 62.100 0.149 0.000 1.009 229 T CB 1.723 70.514 68.868 -0.129 0.000 1.118 229 T HN 0.432 nan 8.240 nan 0.000 0.497 230 H N 1.769 121.062 119.070 0.371 0.000 3.115 230 H HA -0.054 4.501 4.556 -0.001 0.000 0.324 230 H C 1.034 176.414 175.328 0.086 0.000 1.007 230 H CA 0.644 56.800 56.048 0.181 0.000 1.385 230 H CB 0.354 30.245 29.762 0.216 0.000 1.351 230 H HN 0.925 nan 8.280 nan 0.000 0.592 231 Y N 2.124 122.528 120.300 0.174 0.000 2.274 231 Y HA -0.152 4.397 4.550 -0.001 0.000 0.290 231 Y C 2.267 178.336 175.900 0.282 0.000 1.145 231 Y CA 0.862 59.097 58.100 0.224 0.000 1.203 231 Y CB -0.653 37.879 38.460 0.119 0.000 0.984 231 Y HN 0.291 nan 8.280 nan 0.000 0.533 232 S N 0.417 116.162 115.700 0.075 0.000 2.383 232 S HA -0.134 4.336 4.470 -0.001 0.000 0.227 232 S C 2.096 176.624 174.600 -0.120 0.000 1.026 232 S CA 1.297 59.434 58.200 -0.106 0.000 0.981 232 S CB -0.593 62.289 63.200 -0.529 0.000 0.818 232 S HN 0.374 nan 8.310 nan 0.000 0.472 233 V N 1.851 121.756 119.914 -0.016 0.000 2.358 233 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 233 V C 2.232 178.365 176.094 0.066 0.000 1.047 233 V CA 1.543 63.863 62.300 0.033 0.000 1.035 233 V CB -0.500 31.450 31.823 0.212 0.000 0.658 233 V HN 0.405 nan 8.190 nan 0.000 0.452 234 K N 0.122 120.600 120.400 0.131 0.000 2.063 234 K HA -0.260 4.059 4.320 -0.001 0.000 0.208 234 K C 2.277 179.011 176.600 0.224 0.000 1.048 234 K CA 1.871 58.251 56.287 0.156 0.000 0.928 234 K CB -0.236 32.415 32.500 0.252 0.000 0.713 234 K HN 0.347 nan 8.250 nan 0.000 0.442 235 K N 1.141 121.675 120.400 0.222 0.000 2.026 235 K HA -0.230 4.090 4.320 -0.001 0.000 0.208 235 K C 2.142 178.838 176.600 0.160 0.000 1.048 235 K CA 1.737 58.163 56.287 0.231 0.000 0.929 235 K CB 0.041 32.603 32.500 0.104 0.000 0.713 235 K HN -0.016 nan 8.250 nan 0.000 0.439 236 E N 0.824 121.039 120.200 0.026 0.000 2.051 236 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 236 E C 1.909 178.505 176.600 -0.006 0.000 0.991 236 E CA 1.419 57.794 56.400 -0.042 0.000 0.799 236 E CB -0.152 29.474 29.700 -0.123 0.000 0.748 236 E HN 0.352 nan 8.360 nan 0.000 0.449 237 L N -0.232 120.998 121.223 0.011 0.000 2.156 237 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 237 L C 2.501 179.391 176.870 0.034 0.000 1.095 237 L CA 0.810 55.650 54.840 -0.001 0.000 0.770 237 L CB -0.548 41.494 42.059 -0.028 0.000 0.914 237 L HN 0.194 nan 8.230 nan 0.000 0.439 238 A N -0.082 122.810 122.820 0.119 0.000 1.902 238 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 238 A C 2.234 179.994 177.584 0.295 0.000 1.181 238 A CA 1.530 53.691 52.037 0.207 0.000 0.623 238 A CB -0.455 18.824 19.000 0.466 0.000 0.818 238 A HN 0.468 nan 8.150 nan 0.000 0.443 239 Q N -0.981 118.951 119.800 0.220 0.000 2.226 239 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 239 Q C 1.275 177.269 176.000 -0.011 0.000 0.975 239 Q CA 1.164 56.954 55.803 -0.022 0.000 0.866 239 Q CB 0.003 28.584 28.738 -0.262 0.000 0.915 239 Q HN 0.602 nan 8.270 nan 0.000 0.440 240 Q N -0.220 119.585 119.800 0.008 0.000 2.247 240 Q HA 0.149 4.489 4.340 -0.001 0.000 0.204 240 Q C -0.433 175.583 176.000 0.026 0.000 0.872 240 Q CA -0.037 55.766 55.803 0.001 0.000 0.951 240 Q CB 0.725 29.454 28.738 -0.015 0.000 1.099 240 Q HN 0.274 nan 8.270 nan 0.000 0.501 241 R N 0.810 121.329 120.500 0.032 0.000 3.333 241 R HA -0.209 4.131 4.340 -0.001 0.000 0.256 241 R C -0.108 176.222 176.300 0.049 0.000 1.010 241 R CA 0.474 56.583 56.100 0.014 0.000 0.680 241 R CB -1.943 28.391 30.300 0.057 0.000 1.102 241 R HN 0.388 nan 8.270 nan 0.000 0.440 242 Q N 0.052 119.872 119.800 0.033 0.000 2.186 242 Q HA 0.198 4.537 4.340 -0.001 0.000 0.241 242 Q C 1.257 177.342 176.000 0.142 0.000 0.849 242 Q CA -0.231 55.630 55.803 0.096 0.000 1.053 242 Q CB 0.530 29.288 28.738 0.033 0.000 1.146 242 Q HN 0.438 nan 8.270 nan 0.000 0.475 243 L N 0.102 121.335 121.223 0.016 0.000 2.395 243 L HA 0.027 4.366 4.340 -0.001 0.000 0.218 243 L C 0.366 177.232 176.870 -0.006 0.000 1.130 243 L CA 0.976 55.800 54.840 -0.026 0.000 0.826 243 L CB 0.283 42.140 42.059 -0.337 0.000 0.941 243 L HN 0.179 nan 8.230 nan 0.000 0.451 244 E N 0.145 120.388 120.200 0.070 0.000 2.158 244 E HA 0.503 4.852 4.350 -0.001 0.000 0.271 244 E C -1.223 175.297 176.600 -0.133 0.000 0.911 244 E CA -0.528 55.723 56.400 -0.248 0.000 0.767 244 E CB 1.479 31.197 29.700 0.031 0.000 1.120 244 E HN 0.003 nan 8.360 nan 0.000 0.405 245 F N -0.085 119.618 119.950 -0.410 0.000 2.686 245 F HA 0.472 4.998 4.527 -0.001 0.000 0.311 245 F C -1.524 174.163 175.800 -0.188 0.000 1.128 245 F CA -1.390 56.503 58.000 -0.178 0.000 0.946 245 F CB 0.762 39.689 39.000 -0.120 0.000 1.336 245 F HN 0.153 nan 8.300 nan 0.000 0.457 246 L N 2.656 124.028 121.223 0.249 0.000 2.282 246 L HA 0.161 4.500 4.340 -0.001 0.000 0.287 246 L C -1.029 176.071 176.870 0.382 0.000 1.075 246 L CA -0.220 54.764 54.840 0.240 0.000 0.839 246 L CB 0.405 42.611 42.059 0.245 0.000 1.219 246 L HN 0.581 nan 8.230 nan 0.000 0.434 247 W N 6.802 128.214 121.300 0.188 0.000 2.437 247 W HA 0.306 4.965 4.660 -0.001 0.000 0.312 247 W C 0.311 176.860 176.519 0.050 0.000 1.242 247 W CA -1.199 56.275 57.345 0.215 0.000 1.340 247 W CB 0.382 30.008 29.460 0.276 0.000 1.327 247 W HN 0.508 nan 8.180 nan 0.000 0.476 248 R N 3.767 124.444 120.500 0.296 0.000 2.828 248 R HA 0.543 4.882 4.340 -0.001 0.000 0.264 248 R C -0.151 176.053 176.300 -0.160 0.000 1.022 248 R CA -0.937 55.162 56.100 -0.001 0.000 1.021 248 R CB 1.104 31.387 30.300 -0.027 0.000 1.163 248 R HN 0.229 nan 8.270 nan 0.000 0.494 249 Q N 1.414 120.963 119.800 -0.419 0.000 2.394 249 Q HA 0.065 4.404 4.340 -0.001 0.000 0.248 249 Q C 1.479 177.078 176.000 -0.669 0.000 0.992 249 Q CA 0.091 55.440 55.803 -0.756 0.000 0.888 249 Q CB 0.867 28.682 28.738 -1.538 0.000 1.257 249 Q HN 0.843 nan 8.270 nan 0.000 0.462 250 I N -1.914 118.378 120.570 -0.463 0.000 2.530 250 I HA -0.179 3.990 4.170 -0.001 0.000 0.257 250 I C 1.305 177.364 176.117 -0.098 0.000 1.179 250 I CA 1.419 62.605 61.300 -0.190 0.000 1.440 250 I CB -0.378 37.608 38.000 -0.024 0.000 1.087 250 I HN 0.683 nan 8.210 nan 0.000 0.440 251 W N 1.281 122.640 121.300 0.099 0.000 3.220 251 W HA 0.362 5.021 4.660 -0.001 0.000 0.328 251 W C 0.283 176.880 176.519 0.129 0.000 1.205 251 W CA -0.661 56.805 57.345 0.201 0.000 1.773 251 W CB -0.703 28.963 29.460 0.343 0.000 1.086 251 W HN -0.073 nan 8.180 nan 0.000 0.622 252 D N 1.949 122.094 120.400 -0.425 0.000 2.402 252 D HA -0.035 4.605 4.640 -0.001 0.000 0.235 252 D C 1.099 177.376 176.300 -0.038 0.000 1.226 252 D CA 0.302 54.184 54.000 -0.198 0.000 0.918 252 D CB -0.021 40.560 40.800 -0.366 0.000 1.043 252 D HN 0.065 nan 8.370 nan 0.000 0.506 253 N N 3.299 122.037 118.700 0.064 0.000 2.270 253 N HA -0.131 4.609 4.740 -0.001 0.000 0.181 253 N C 1.356 176.886 175.510 0.034 0.000 1.016 253 N CA 0.617 53.694 53.050 0.047 0.000 0.870 253 N CB 0.239 38.772 38.487 0.078 0.000 0.979 253 N HN 0.425 nan 8.380 nan 0.000 0.431 254 K N -0.238 120.188 120.400 0.044 0.000 2.186 254 K HA -0.021 4.299 4.320 -0.001 0.000 0.202 254 K C 0.768 177.385 176.600 0.027 0.000 1.052 254 K CA 1.085 57.394 56.287 0.038 0.000 0.965 254 K CB 0.116 32.644 32.500 0.047 0.000 0.746 254 K HN 0.202 nan 8.250 nan 0.000 0.457 255 G N 1.227 110.035 108.800 0.014 0.000 2.144 255 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 255 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 255 G C 0.119 175.026 174.900 0.011 0.000 0.988 255 G CA 0.372 45.478 45.100 0.010 0.000 0.659 255 G HN 0.400 nan 8.290 nan 0.000 0.522 256 D N 0.512 120.920 120.400 0.013 0.000 2.348 256 D HA -0.006 4.633 4.640 -0.001 0.000 0.216 256 D C 2.517 178.811 176.300 -0.010 0.000 0.970 256 D CA 1.644 55.650 54.000 0.009 0.000 0.889 256 D CB -0.162 40.650 40.800 0.019 0.000 0.912 256 D HN 0.668 nan 8.370 nan 0.000 0.524 257 T N -2.135 112.404 114.554 -0.025 0.000 3.100 257 T HA 0.329 4.679 4.350 -0.001 0.000 0.253 257 T C 1.010 175.678 174.700 -0.053 0.000 1.118 257 T CA -0.154 61.913 62.100 -0.056 0.000 1.058 257 T CB 0.066 68.888 68.868 -0.076 0.000 0.953 257 T HN 0.059 nan 8.240 nan 0.000 0.515 258 A N 1.511 124.324 122.820 -0.012 0.000 2.565 258 A HA 0.516 4.836 4.320 -0.001 0.000 0.237 258 A C -0.233 177.377 177.584 0.044 0.000 1.053 258 A CA -0.238 51.823 52.037 0.040 0.000 0.755 258 A CB -0.189 18.857 19.000 0.076 0.000 0.980 258 A HN 0.553 nan 8.150 nan 0.000 0.506 259 L N 2.925 124.196 121.223 0.081 0.000 2.409 259 L HA 0.568 4.907 4.340 -0.001 0.000 0.272 259 L C -0.645 176.286 176.870 0.101 0.000 0.980 259 L CA -0.598 54.282 54.840 0.066 0.000 0.826 259 L CB 1.445 43.511 42.059 0.013 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.895 123.804 119.950 -0.067 0.000 2.578 260 F HA 0.417 4.943 4.527 -0.001 0.000 0.376 260 F C 0.006 175.681 175.800 -0.209 0.000 1.085 260 F CA 0.795 58.718 58.000 -0.128 0.000 1.260 260 F CB 0.478 39.419 39.000 -0.099 0.000 1.095 260 F HN 0.583 nan 8.300 nan 0.000 0.573 261 T N 5.307 119.278 114.554 -0.972 0.000 2.886 261 T HA 0.210 4.559 4.350 -0.001 0.000 0.292 261 T C -1.647 172.424 174.700 -1.048 0.000 1.012 261 T CA -0.486 61.121 62.100 -0.821 0.000 0.982 261 T CB 0.952 69.335 68.868 -0.809 0.000 1.018 261 T HN 0.625 nan 8.240 nan 0.000 0.451 262 H N 2.762 121.530 119.070 -0.503 0.000 2.551 262 H HA 0.634 5.189 4.556 -0.001 0.000 0.321 262 H C -0.442 174.704 175.328 -0.304 0.000 1.028 262 H CA -0.752 55.120 56.048 -0.295 0.000 1.215 262 H CB 0.760 30.564 29.762 0.071 0.000 1.414 262 H HN 0.485 nan 8.280 nan 0.000 0.480 263 M N 6.761 126.035 119.600 -0.545 0.000 2.157 263 M HA 0.299 4.779 4.480 -0.001 0.000 0.354 263 M C -0.925 175.113 176.300 -0.436 0.000 1.170 263 M CA -0.624 54.423 55.300 -0.421 0.000 1.060 263 M CB 0.803 33.209 32.600 -0.323 0.000 1.615 263 M HN 0.678 nan 8.290 nan 0.000 0.460 264 M N 6.674 126.108 119.600 -0.276 0.000 2.243 264 M HA 0.181 4.661 4.480 -0.001 0.000 0.341 264 M C -1.518 174.634 176.300 -0.247 0.000 1.130 264 M CA -1.171 54.010 55.300 -0.199 0.000 1.162 264 M CB 0.611 33.118 32.600 -0.154 0.000 1.497 264 M HN 0.494 nan 8.290 nan 0.000 0.456 265 P HA 0.055 nan 4.420 nan 0.000 0.239 265 P C -0.222 176.852 177.300 -0.378 0.000 1.188 265 P CA 1.005 63.777 63.100 -0.548 0.000 0.794 265 P CB 0.281 31.381 31.700 -1.000 0.000 0.937 266 F N -2.201 117.746 119.950 -0.005 0.000 2.452 266 F HA 0.284 4.811 4.527 -0.001 0.000 0.353 266 F C 2.247 178.137 175.800 0.150 0.000 1.089 266 F CA -1.297 56.746 58.000 0.071 0.000 1.080 266 F CB 0.029 39.008 39.000 -0.034 0.000 1.399 266 F HN -0.301 nan 8.300 nan 0.000 0.492 267 Y N 0.344 120.797 120.300 0.256 0.000 2.352 267 Y HA 0.034 4.583 4.550 -0.001 0.000 0.292 267 Y C 0.856 176.679 175.900 -0.129 0.000 1.136 267 Y CA 1.175 59.283 58.100 0.013 0.000 1.227 267 Y CB 0.041 38.420 38.460 -0.135 0.000 0.991 267 Y HN 0.338 nan 8.280 nan 0.000 0.545 268 S N -1.798 113.751 115.700 -0.252 0.000 2.651 268 S HA 0.250 4.720 4.470 -0.001 0.000 0.279 268 S C -0.381 174.133 174.600 -0.144 0.000 1.148 268 S CA -0.406 57.541 58.200 -0.422 0.000 0.837 268 S CB 0.312 63.203 63.200 -0.515 0.000 1.138 268 S HN 0.290 nan 8.310 nan 0.000 0.478 269 Y N 0.758 121.015 120.300 -0.072 0.000 2.490 269 Y HA 0.305 4.854 4.550 -0.001 0.000 0.281 269 Y C 0.475 176.462 175.900 0.144 0.000 1.174 269 Y CA -0.590 57.494 58.100 -0.027 0.000 1.295 269 Y CB -1.010 37.339 38.460 -0.186 0.000 1.062 269 Y HN 0.541 nan 8.280 nan 0.000 0.522 270 D N 0.633 121.012 120.400 -0.036 0.000 2.384 270 D HA -0.024 4.615 4.640 -0.001 0.000 0.244 270 D C 1.197 177.623 176.300 0.210 0.000 1.251 270 D CA -0.416 53.668 54.000 0.140 0.000 0.961 270 D CB 0.800 41.641 40.800 0.069 0.000 1.116 270 D HN 0.240 nan 8.370 nan 0.000 0.484 271 I N -0.295 120.377 120.570 0.170 0.000 2.226 271 I HA -0.137 4.032 4.170 -0.001 0.000 0.245 271 I C -0.780 175.374 176.117 0.061 0.000 1.100 271 I CA 0.791 62.178 61.300 0.144 0.000 1.374 271 I CB -1.058 37.014 38.000 0.121 0.000 1.057 271 I HN 0.345 nan 8.210 nan 0.000 0.413 272 P HA -0.155 nan 4.420 nan 0.000 0.221 272 P C 0.550 177.526 177.300 -0.541 0.000 1.145 272 P CA 1.597 64.509 63.100 -0.313 0.000 0.795 272 P CB -0.094 31.419 31.700 -0.312 0.000 0.775 273 H N -2.951 116.113 119.070 -0.011 0.000 2.486 273 H HA 0.220 4.776 4.556 -0.001 0.000 0.284 273 H C 0.883 176.306 175.328 0.158 0.000 1.103 273 H CA 0.536 56.591 56.048 0.012 0.000 1.089 273 H CB -0.196 29.645 29.762 0.132 0.000 1.603 273 H HN 0.099 nan 8.280 nan 0.000 0.557 274 T N -4.215 110.452 114.554 0.188 0.000 2.986 274 T HA -0.020 4.330 4.350 -0.001 0.000 0.264 274 T C 1.782 176.606 174.700 0.206 0.000 0.964 274 T CA 0.364 62.606 62.100 0.237 0.000 0.895 274 T CB -0.674 68.327 68.868 0.222 0.000 1.163 274 T HN 0.511 nan 8.240 nan 0.000 0.517 275 c N 1.381 120.070 118.600 0.148 0.000 2.563 275 c HA 0.732 5.301 4.570 -0.001 0.000 0.268 275 c C 1.333 175.541 174.090 0.196 0.000 1.365 275 c CA 0.381 56.839 56.329 0.215 0.000 1.754 275 c CB -1.045 41.552 42.510 0.145 0.000 1.932 275 c HN 0.864 nan 8.230 nan 0.000 0.536 276 G N -0.101 108.727 108.800 0.048 0.000 2.317 276 G HA2 0.374 4.333 3.960 -0.001 0.000 0.293 276 G HA3 0.374 4.333 3.960 -0.001 0.000 0.293 276 G C -2.619 171.859 174.900 -0.704 0.000 1.287 276 G CA 0.249 45.318 45.100 -0.052 0.000 0.850 276 G HN -0.108 nan 8.290 nan 0.000 0.515 277 P HA 0.054 nan 4.420 nan 0.000 0.223 277 P C -0.090 176.788 177.300 -0.704 0.000 1.151 277 P CA 1.222 63.658 63.100 -1.105 0.000 0.787 277 P CB 0.323 31.703 31.700 -0.532 0.000 0.788 278 D N 0.564 120.661 120.400 -0.505 0.000 2.460 278 D HA 0.145 4.785 4.640 -0.001 0.000 0.232 278 D C -1.464 174.491 176.300 -0.575 0.000 1.079 278 D CA -2.689 51.057 54.000 -0.423 0.000 0.864 278 D CB 1.274 41.913 40.800 -0.268 0.000 1.048 278 D HN -0.011 nan 8.370 nan 0.000 0.523 279 P HA -0.166 nan 4.420 nan 0.000 0.220 279 P C 1.227 177.708 177.300 -1.366 0.000 1.148 279 P CA 0.749 63.075 63.100 -1.290 0.000 0.803 279 P CB 0.529 31.145 31.700 -1.806 0.000 0.782 280 K N 0.190 119.932 120.400 -1.097 0.000 2.148 280 K HA -0.059 4.260 4.320 -0.001 0.000 0.204 280 K C 1.807 178.232 176.600 -0.291 0.000 1.050 280 K CA 1.008 56.964 56.287 -0.551 0.000 0.942 280 K CB -0.155 32.205 32.500 -0.234 0.000 0.724 280 K HN -0.049 nan 8.250 nan 0.000 0.446 281 V N 0.216 119.960 119.914 -0.283 0.000 2.379 281 V HA -0.215 3.905 4.120 -0.001 0.000 0.243 281 V C 2.350 178.421 176.094 -0.039 0.000 1.035 281 V CA 1.229 63.459 62.300 -0.117 0.000 1.035 281 V CB -0.238 31.527 31.823 -0.096 0.000 0.673 281 V HN 0.457 nan 8.190 nan 0.000 0.457 282 c N -0.637 117.861 118.600 -0.168 0.000 2.411 282 c HA -0.205 4.364 4.570 -0.001 0.000 0.279 282 c C 2.988 177.045 174.090 -0.056 0.000 1.288 282 c CA 0.866 57.154 56.329 -0.069 0.000 1.764 282 c CB -1.490 40.895 42.510 -0.207 0.000 1.974 282 c HN 0.760 nan 8.230 nan 0.000 0.498 283 c N 0.822 119.305 118.600 -0.196 0.000 2.422 283 c HA -0.147 4.422 4.570 -0.001 0.000 0.279 283 c C 2.633 176.617 174.090 -0.177 0.000 1.305 283 c CA 1.225 57.490 56.329 -0.107 0.000 1.757 283 c CB -1.435 41.097 42.510 0.036 0.000 1.962 283 c HN 0.638 nan 8.230 nan 0.000 0.499 284 Q N -1.316 118.330 119.800 -0.257 0.000 2.500 284 Q HA -0.046 4.294 4.340 -0.001 0.000 0.213 284 Q C 0.637 175.994 176.000 -1.072 0.000 0.974 284 Q CA 1.034 56.500 55.803 -0.561 0.000 0.918 284 Q CB -0.053 28.344 28.738 -0.568 0.000 0.980 284 Q HN 0.747 nan 8.270 nan 0.000 0.505 285 F N -0.236 119.430 119.950 -0.473 0.000 2.668 285 F HA 0.166 4.693 4.527 -0.001 0.000 0.301 285 F C 0.191 175.712 175.800 -0.464 0.000 1.106 285 F CA -0.594 57.025 58.000 -0.636 0.000 1.289 285 F CB 0.783 39.655 39.000 -0.214 0.000 1.006 285 F HN -0.147 nan 8.300 nan 0.000 0.535 286 D N 0.065 120.240 120.400 -0.375 0.000 2.485 286 D HA 0.136 4.775 4.640 -0.001 0.000 0.229 286 D C 0.578 176.696 176.300 -0.304 0.000 1.101 286 D CA -0.399 53.507 54.000 -0.157 0.000 0.906 286 D CB 0.107 40.862 40.800 -0.074 0.000 1.019 286 D HN 0.089 nan 8.370 nan 0.000 0.516 287 F N 1.754 121.699 119.950 -0.009 0.000 2.641 287 F HA 0.050 4.576 4.527 -0.001 0.000 0.298 287 F C 2.352 178.086 175.800 -0.110 0.000 1.146 287 F CA 0.405 58.371 58.000 -0.056 0.000 1.464 287 F CB 0.025 39.011 39.000 -0.023 0.000 1.101 287 F HN 0.269 nan 8.300 nan 0.000 0.585 288 K N 0.829 121.151 120.400 -0.131 0.000 2.487 288 K HA 0.042 4.361 4.320 -0.001 0.000 0.192 288 K C 0.834 177.360 176.600 -0.124 0.000 1.027 288 K CA 0.190 56.242 56.287 -0.392 0.000 1.054 288 K CB 0.104 32.242 32.500 -0.604 0.000 0.824 288 K HN 0.177 nan 8.250 nan 0.000 0.510 289 R N 0.699 121.169 120.500 -0.051 0.000 3.351 289 R HA 0.211 4.551 4.340 -0.001 0.000 0.296 289 R C -0.481 175.844 176.300 0.042 0.000 1.427 289 R CA -0.028 56.075 56.100 0.004 0.000 1.257 289 R CB 0.176 30.460 30.300 -0.027 0.000 1.378 289 R HN 0.078 nan 8.270 nan 0.000 0.610 290 M N -0.004 119.672 119.600 0.127 0.000 2.065 290 M HA 0.211 4.690 4.480 -0.001 0.000 0.308 290 M C 0.990 177.364 176.300 0.123 0.000 0.939 290 M CA -0.313 55.049 55.300 0.104 0.000 0.890 290 M CB 1.861 34.528 32.600 0.111 0.000 1.383 290 M HN 0.452 nan 8.290 nan 0.000 0.381 291 G N 1.441 110.286 108.800 0.076 0.000 3.584 291 G HA2 -0.457 3.502 3.960 -0.001 0.000 0.234 291 G HA3 -0.457 3.502 3.960 -0.001 0.000 0.234 291 G C 1.336 176.241 174.900 0.008 0.000 1.942 291 G CA 1.851 46.974 45.100 0.039 0.000 2.130 291 G HN 0.728 nan 8.290 nan 0.000 0.848 292 S N -0.116 115.548 115.700 -0.060 0.000 2.440 292 S HA 0.098 4.567 4.470 -0.001 0.000 0.238 292 S C 1.923 176.348 174.600 -0.292 0.000 1.010 292 S CA 1.782 59.856 58.200 -0.210 0.000 0.972 292 S CB -0.391 62.602 63.200 -0.345 0.000 0.774 292 S HN 0.498 nan 8.310 nan 0.000 0.501 293 F N 1.736 121.682 119.950 -0.007 0.000 2.765 293 F HA 0.399 4.925 4.527 -0.001 0.000 0.302 293 F C 1.917 177.714 175.800 -0.005 0.000 1.111 293 F CA 0.125 58.120 58.000 -0.008 0.000 1.359 293 F CB -0.045 38.947 39.000 -0.013 0.000 1.097 293 F HN 0.384 nan 8.300 nan 0.000 0.577 294 G N 1.281 110.156 108.800 0.125 0.000 2.147 294 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.244 294 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.244 294 G C -0.183 174.768 174.900 0.084 0.000 1.005 294 G CA 0.017 45.165 45.100 0.079 0.000 0.713 294 G HN 0.296 nan 8.290 nan 0.000 0.515 295 L N 0.024 121.311 121.223 0.105 0.000 2.333 295 L HA 0.874 5.214 4.340 -0.001 0.000 0.263 295 L C 0.440 177.341 176.870 0.051 0.000 1.014 295 L CA -0.394 54.489 54.840 0.072 0.000 0.820 295 L CB 2.413 44.512 42.059 0.067 0.000 1.352 295 L HN 0.488 nan 8.230 nan 0.000 0.421 296 S N -0.785 114.932 115.700 0.029 0.000 2.656 296 S HA 0.517 4.986 4.470 -0.001 0.000 0.273 296 S C -1.287 173.323 174.600 0.016 0.000 1.168 296 S CA -0.816 57.393 58.200 0.015 0.000 0.817 296 S CB 1.557 64.757 63.200 -0.001 0.000 1.146 296 S HN 0.519 nan 8.310 nan 0.000 0.475 297 c N 3.182 121.796 118.600 0.025 0.000 2.265 297 c HA 0.537 5.106 4.570 -0.001 0.000 0.332 297 c C -0.914 173.159 174.090 -0.028 0.000 1.248 297 c CA -1.156 55.225 56.329 0.087 0.000 1.727 297 c CB 0.743 43.343 42.510 0.150 0.000 2.348 297 c HN 0.761 nan 8.230 nan 0.000 0.519 298 P HA -0.090 nan 4.420 nan 0.000 0.230 298 P C 1.066 178.066 177.300 -0.500 0.000 1.158 298 P CA 1.220 64.037 63.100 -0.471 0.000 0.769 298 P CB 0.080 31.344 31.700 -0.727 0.000 0.807 299 W N 0.834 122.110 121.300 -0.040 0.000 3.180 299 W HA 0.154 4.814 4.660 -0.001 0.000 0.254 299 W C 0.714 177.205 176.519 -0.047 0.000 1.318 299 W CA 0.136 57.453 57.345 -0.047 0.000 1.608 299 W CB -0.510 28.913 29.460 -0.062 0.000 1.124 299 W HN 0.157 nan 8.180 nan 0.000 0.694 300 K N -1.028 119.413 120.400 0.068 0.000 3.446 300 K HA -0.188 4.131 4.320 -0.001 0.000 0.312 300 K C -0.322 176.297 176.600 0.032 0.000 1.329 300 K CA 0.578 56.882 56.287 0.028 0.000 0.935 300 K CB -2.073 30.432 32.500 0.008 0.000 1.281 300 K HN -0.091 nan 8.250 nan 0.000 0.457 301 V N 1.892 121.837 119.914 0.052 0.000 2.378 301 V HA 0.319 4.438 4.120 -0.001 0.000 0.288 301 V C -1.725 174.354 176.094 -0.024 0.000 1.016 301 V CA -1.512 60.789 62.300 0.003 0.000 0.840 301 V CB 1.453 33.273 31.823 -0.006 0.000 0.994 301 V HN -0.018 nan 8.190 nan 0.000 0.431 302 P HA 0.454 nan 4.420 nan 0.000 0.278 302 P C -2.895 174.310 177.300 -0.158 0.000 1.258 302 P CA -2.155 60.899 63.100 -0.077 0.000 0.811 302 P CB 0.790 32.460 31.700 -0.050 0.000 1.063 303 P HA 0.330 nan 4.420 nan 0.000 0.274 303 P C -0.384 176.798 177.300 -0.196 0.000 1.237 303 P CA 0.013 62.889 63.100 -0.372 0.000 0.793 303 P CB 0.556 31.982 31.700 -0.457 0.000 0.977 304 R N 0.399 120.792 120.500 -0.179 0.000 2.561 304 R HA 0.388 4.728 4.340 -0.001 0.000 0.297 304 R C -0.453 175.895 176.300 0.079 0.000 0.969 304 R CA -0.556 55.516 56.100 -0.048 0.000 0.879 304 R CB 1.307 31.556 30.300 -0.085 0.000 1.178 304 R HN 0.376 nan 8.270 nan 0.000 0.445 305 T N 4.244 118.846 114.554 0.080 0.000 2.933 305 T HA 0.037 4.387 4.350 -0.001 0.000 0.306 305 T C 0.723 175.418 174.700 -0.007 0.000 1.045 305 T CA 0.155 62.286 62.100 0.051 0.000 1.143 305 T CB 0.169 69.045 68.868 0.013 0.000 1.003 305 T HN 0.202 nan 8.240 nan 0.000 0.540 306 I N 3.856 124.376 120.570 -0.084 0.000 2.496 306 I HA 0.270 4.440 4.170 -0.001 0.000 0.285 306 I C 0.990 177.058 176.117 -0.083 0.000 1.080 306 I CA -0.001 61.245 61.300 -0.090 0.000 1.404 306 I CB 0.394 38.299 38.000 -0.160 0.000 1.403 306 I HN 0.780 nan 8.210 nan 0.000 0.539 307 S N 3.518 119.180 115.700 -0.063 0.000 2.697 307 S HA 0.446 4.916 4.470 -0.001 0.000 0.289 307 S C 0.286 174.854 174.600 -0.054 0.000 1.149 307 S CA -0.736 57.434 58.200 -0.050 0.000 0.850 307 S CB 2.006 65.184 63.200 -0.036 0.000 1.151 307 S HN 0.480 nan 8.310 nan 0.000 0.491 308 D N 0.510 120.888 120.400 -0.036 0.000 2.218 308 D HA -0.013 4.626 4.640 -0.001 0.000 0.204 308 D C 1.550 177.825 176.300 -0.042 0.000 0.976 308 D CA 1.345 55.325 54.000 -0.032 0.000 0.853 308 D CB -0.208 40.587 40.800 -0.007 0.000 0.939 308 D HN 0.515 nan 8.370 nan 0.000 0.481 309 Q N -0.168 119.610 119.800 -0.036 0.000 2.389 309 Q HA 0.021 4.361 4.340 -0.001 0.000 0.204 309 Q C 1.117 177.092 176.000 -0.043 0.000 0.944 309 Q CA 0.679 56.462 55.803 -0.032 0.000 0.908 309 Q CB 0.071 28.796 28.738 -0.022 0.000 1.002 309 Q HN 0.353 nan 8.270 nan 0.000 0.493 310 N N -1.929 116.737 118.700 -0.056 0.000 2.181 310 N HA -0.018 4.722 4.740 -0.001 0.000 0.207 310 N C 1.096 176.554 175.510 -0.086 0.000 1.182 310 N CA 0.124 53.140 53.050 -0.056 0.000 0.893 310 N CB -0.307 38.155 38.487 -0.042 0.000 1.032 310 N HN 0.032 nan 8.380 nan 0.000 0.513 311 V N 0.619 120.447 119.914 -0.142 0.000 2.392 311 V HA -0.132 3.988 4.120 -0.001 0.000 0.249 311 V C 2.231 178.100 176.094 -0.375 0.000 1.059 311 V CA 2.169 64.329 62.300 -0.233 0.000 1.051 311 V CB -0.885 30.776 31.823 -0.272 0.000 0.658 311 V HN 0.460 nan 8.190 nan 0.000 0.455 312 A N -0.422 122.160 122.820 -0.397 0.000 1.898 312 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 312 A C 2.397 180.018 177.584 0.063 0.000 1.181 312 A CA 1.936 53.862 52.037 -0.186 0.000 0.620 312 A CB -0.877 18.135 19.000 0.019 0.000 0.819 312 A HN 0.780 nan 8.150 nan 0.000 0.442 313 A N -0.478 122.353 122.820 0.017 0.000 1.897 313 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 313 A C 2.219 179.841 177.584 0.064 0.000 1.181 313 A CA 1.185 53.253 52.037 0.052 0.000 0.620 313 A CB -0.400 18.614 19.000 0.022 0.000 0.821 313 A HN 0.388 nan 8.150 nan 0.000 0.443 314 R N 0.201 120.730 120.500 0.048 0.000 2.073 314 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 314 R C 2.409 178.755 176.300 0.075 0.000 1.134 314 R CA 1.616 57.801 56.100 0.142 0.000 0.952 314 R CB -1.085 29.300 30.300 0.142 0.000 0.850 314 R HN 0.523 nan 8.270 nan 0.000 0.433 315 S N 1.161 116.852 115.700 -0.015 0.000 2.368 315 S HA -0.165 4.305 4.470 -0.001 0.000 0.225 315 S C 1.550 176.032 174.600 -0.196 0.000 1.030 315 S CA 1.586 59.678 58.200 -0.180 0.000 0.999 315 S CB -0.312 62.908 63.200 0.034 0.000 0.844 315 S HN 0.332 nan 8.310 nan 0.000 0.459 316 D N 1.107 121.581 120.400 0.123 0.000 2.117 316 D HA -0.048 4.592 4.640 -0.001 0.000 0.197 316 D C 1.841 178.157 176.300 0.027 0.000 0.987 316 D CA 0.875 55.013 54.000 0.229 0.000 0.829 316 D CB -0.172 40.788 40.800 0.266 0.000 0.961 316 D HN 0.260 nan 8.370 nan 0.000 0.460 317 L N -0.330 120.880 121.223 -0.022 0.000 2.027 317 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 317 L C 2.300 178.997 176.870 -0.288 0.000 1.074 317 L CA 0.511 55.312 54.840 -0.065 0.000 0.745 317 L CB -0.328 41.762 42.059 0.052 0.000 0.898 317 L HN 0.205 nan 8.230 nan 0.000 0.433 318 L N -0.749 120.124 121.223 -0.584 0.000 2.027 318 L HA -0.141 4.198 4.340 -0.001 0.000 0.206 318 L C 2.351 178.549 176.870 -1.119 0.000 1.074 318 L CA 1.616 55.782 54.840 -1.123 0.000 0.745 318 L CB -0.429 40.659 42.059 -1.618 0.000 0.898 318 L HN -0.078 nan 8.230 nan 0.000 0.433 319 V N 0.069 119.445 119.914 -0.897 0.000 2.469 319 V HA -0.311 3.808 4.120 -0.001 0.000 0.251 319 V C 2.316 178.257 176.094 -0.255 0.000 1.064 319 V CA 1.942 63.876 62.300 -0.611 0.000 1.066 319 V CB -0.783 30.705 31.823 -0.558 0.000 0.667 319 V HN 0.611 nan 8.190 nan 0.000 0.461 320 D N -0.932 119.376 120.400 -0.155 0.000 2.144 320 D HA -0.192 4.447 4.640 -0.001 0.000 0.200 320 D C 2.215 178.504 176.300 -0.018 0.000 0.978 320 D CA 1.034 55.053 54.000 0.033 0.000 0.833 320 D CB -0.015 40.857 40.800 0.119 0.000 0.961 320 D HN 0.281 nan 8.370 nan 0.000 0.470 321 Q N -0.485 119.231 119.800 -0.140 0.000 2.084 321 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 321 Q C 2.065 178.086 176.000 0.035 0.000 0.978 321 Q CA 0.969 56.710 55.803 -0.102 0.000 0.844 321 Q CB -0.557 28.053 28.738 -0.214 0.000 0.898 321 Q HN 0.549 nan 8.270 nan 0.000 0.426 322 W N 1.403 122.607 121.300 -0.160 0.000 2.358 322 W HA -0.086 4.573 4.660 -0.001 0.000 0.303 322 W C 2.094 178.508 176.519 -0.175 0.000 1.208 322 W CA 0.711 57.960 57.345 -0.160 0.000 1.274 322 W CB -0.640 28.697 29.460 -0.205 0.000 1.138 322 W HN 0.206 nan 8.180 nan 0.000 0.515 323 K N 0.157 120.532 120.400 -0.041 0.000 2.148 323 K HA -0.137 4.182 4.320 -0.001 0.000 0.204 323 K C 1.957 178.419 176.600 -0.229 0.000 1.050 323 K CA 1.218 57.322 56.287 -0.305 0.000 0.942 323 K CB -0.182 31.803 32.500 -0.857 0.000 0.724 323 K HN 0.066 nan 8.250 nan 0.000 0.446 324 K N 0.883 121.241 120.400 -0.070 0.000 2.025 324 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 324 K C 2.102 178.779 176.600 0.128 0.000 1.049 324 K CA 1.149 57.518 56.287 0.137 0.000 0.933 324 K CB 0.005 32.596 32.500 0.151 0.000 0.714 324 K HN 0.009 nan 8.250 nan 0.000 0.438 325 K N 0.873 121.352 120.400 0.130 0.000 2.057 325 K HA -0.122 4.197 4.320 -0.001 0.000 0.207 325 K C 2.043 178.766 176.600 0.206 0.000 1.049 325 K CA 1.242 57.634 56.287 0.175 0.000 0.931 325 K CB -0.103 32.520 32.500 0.205 0.000 0.714 325 K HN 0.131 nan 8.250 nan 0.000 0.440 326 A N 1.266 124.189 122.820 0.172 0.000 2.076 326 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 326 A C 1.687 179.443 177.584 0.286 0.000 1.160 326 A CA 1.419 53.593 52.037 0.228 0.000 0.653 326 A CB -0.332 18.756 19.000 0.148 0.000 0.801 326 A HN 0.320 nan 8.150 nan 0.000 0.455 327 E N -0.125 120.220 120.200 0.242 0.000 2.338 327 E HA -0.047 4.303 4.350 -0.001 0.000 0.197 327 E C 1.548 178.274 176.600 0.209 0.000 1.007 327 E CA 0.534 57.086 56.400 0.252 0.000 0.849 327 E CB -0.185 29.690 29.700 0.290 0.000 0.774 327 E HN 0.726 nan 8.360 nan 0.000 0.506 328 L N -0.519 120.784 121.223 0.133 0.000 2.591 328 L HA 0.060 4.399 4.340 -0.001 0.000 0.228 328 L C 0.236 176.880 176.870 -0.376 0.000 1.133 328 L CA 0.232 55.016 54.840 -0.095 0.000 0.880 328 L CB -0.075 41.814 42.059 -0.283 0.000 1.033 328 L HN -0.005 nan 8.230 nan 0.000 0.450 329 Y N -1.521 118.865 120.300 0.144 0.000 2.630 329 Y HA 0.383 4.932 4.550 -0.001 0.000 0.337 329 Y C 1.212 177.231 175.900 0.199 0.000 1.051 329 Y CA -0.972 57.235 58.100 0.178 0.000 1.121 329 Y CB 1.103 39.682 38.460 0.198 0.000 1.299 329 Y HN -0.279 nan 8.280 nan 0.000 0.498 330 R N -0.566 120.176 120.500 0.402 0.000 2.254 330 R HA 0.082 4.422 4.340 -0.001 0.000 0.195 330 R C 0.329 176.765 176.300 0.226 0.000 0.957 330 R CA 0.805 57.052 56.100 0.245 0.000 1.024 330 R CB 0.209 30.581 30.300 0.120 0.000 0.952 330 R HN 0.766 nan 8.270 nan 0.000 0.484 331 T N -0.790 113.942 114.554 0.297 0.000 2.922 331 T HA 0.107 4.457 4.350 -0.001 0.000 0.281 331 T C 0.622 175.471 174.700 0.248 0.000 1.005 331 T CA -0.937 61.304 62.100 0.234 0.000 0.982 331 T CB 1.206 70.192 68.868 0.197 0.000 1.158 331 T HN 0.079 nan 8.240 nan 0.000 0.566 332 N N 0.022 118.836 118.700 0.191 0.000 2.327 332 N HA 0.137 4.876 4.740 -0.001 0.000 0.231 332 N C -0.740 174.749 175.510 -0.036 0.000 1.130 332 N CA -0.370 52.753 53.050 0.122 0.000 0.845 332 N CB -0.097 38.374 38.487 -0.026 0.000 1.073 332 N HN 0.374 nan 8.380 nan 0.000 0.496 333 V N 1.350 121.281 119.914 0.028 0.000 2.409 333 V HA 0.408 4.527 4.120 -0.001 0.000 0.291 333 V C -0.595 175.585 176.094 0.144 0.000 1.020 333 V CA -0.957 61.361 62.300 0.030 0.000 0.848 333 V CB 1.520 33.342 31.823 -0.002 0.000 0.990 333 V HN 0.175 nan 8.190 nan 0.000 0.430 334 L N 5.713 126.952 121.223 0.027 0.000 2.341 334 L HA 0.703 5.042 4.340 -0.001 0.000 0.278 334 L C -0.833 175.899 176.870 -0.230 0.000 1.005 334 L CA -0.457 54.322 54.840 -0.100 0.000 0.818 334 L CB 1.682 43.579 42.059 -0.270 0.000 1.259 334 L HN 0.636 nan 8.230 nan 0.000 0.418 335 L N 6.205 127.083 121.223 -0.574 0.000 2.282 335 L HA 0.598 4.938 4.340 -0.001 0.000 0.288 335 L C -1.128 175.453 176.870 -0.481 0.000 1.033 335 L CA 0.066 54.412 54.840 -0.824 0.000 0.807 335 L CB 0.956 42.041 42.059 -1.624 0.000 1.209 335 L HN 0.433 nan 8.230 nan 0.000 0.423 336 I N 7.094 127.468 120.570 -0.327 0.000 2.537 336 I HA 0.352 4.522 4.170 -0.001 0.000 0.276 336 I C -2.334 173.768 176.117 -0.026 0.000 1.063 336 I CA -1.962 59.243 61.300 -0.159 0.000 1.144 336 I CB 1.157 39.041 38.000 -0.193 0.000 1.252 336 I HN 0.431 nan 8.210 nan 0.000 0.480 337 P HA 0.205 nan 4.420 nan 0.000 0.272 337 P C -0.490 176.997 177.300 0.312 0.000 1.223 337 P CA -0.276 62.969 63.100 0.242 0.000 0.784 337 P CB 0.894 32.780 31.700 0.310 0.000 0.923 338 L N 2.519 123.967 121.223 0.376 0.000 2.492 338 L HA 0.755 5.094 4.340 -0.001 0.000 0.258 338 L C -0.222 176.712 176.870 0.106 0.000 1.028 338 L CA 0.374 55.349 54.840 0.226 0.000 0.900 338 L CB 0.462 42.596 42.059 0.125 0.000 1.191 338 L HN 0.602 nan 8.230 nan 0.000 0.459 339 G N 1.549 110.277 108.800 -0.120 0.000 2.430 339 G HA2 0.496 4.455 3.960 -0.001 0.000 0.300 339 G HA3 0.496 4.455 3.960 -0.001 0.000 0.300 339 G C -2.203 172.583 174.900 -0.191 0.000 1.330 339 G CA -0.222 44.575 45.100 -0.505 0.000 0.813 339 G HN 0.387 nan 8.290 nan 0.000 0.487 340 D N -1.722 118.652 120.400 -0.044 0.000 2.865 340 D HA 0.310 4.950 4.640 -0.001 0.000 0.343 340 D C -1.470 174.990 176.300 0.266 0.000 1.372 340 D CA -0.445 53.711 54.000 0.260 0.000 0.862 340 D CB 1.393 42.289 40.800 0.159 0.000 1.425 340 D HN 0.224 nan 8.370 nan 0.000 0.501 341 D N 0.381 121.000 120.400 0.365 0.000 2.450 341 D HA 0.190 4.829 4.640 -0.001 0.000 0.247 341 D C 0.198 176.678 176.300 0.300 0.000 1.162 341 D CA 0.562 54.763 54.000 0.336 0.000 0.879 341 D CB -0.318 40.794 40.800 0.520 0.000 1.163 341 D HN 0.345 nan 8.370 nan 0.000 0.472 342 F N 0.182 120.204 119.950 0.120 0.000 3.019 342 F HA -0.315 4.212 4.527 -0.001 0.000 0.259 342 F C 1.145 176.993 175.800 0.079 0.000 0.976 342 F CA 0.600 58.648 58.000 0.080 0.000 0.876 342 F CB -0.857 38.181 39.000 0.062 0.000 0.784 342 F HN 0.213 nan 8.300 nan 0.000 0.786 343 R N -0.448 120.142 120.500 0.151 0.000 2.580 343 R HA 0.498 4.837 4.340 -0.001 0.000 0.267 343 R C 0.708 177.033 176.300 0.042 0.000 1.125 343 R CA -0.868 55.206 56.100 -0.044 0.000 1.188 343 R CB -0.054 30.113 30.300 -0.221 0.000 1.155 343 R HN 0.238 nan 8.270 nan 0.000 0.586 344 F N -0.644 119.134 119.950 -0.286 0.000 3.040 344 F HA -0.297 4.230 4.527 -0.001 0.000 0.298 344 F C 1.343 177.083 175.800 -0.100 0.000 0.948 344 F CA 0.993 58.611 58.000 -0.636 0.000 1.022 344 F CB -0.888 37.465 39.000 -1.079 0.000 1.023 344 F HN 0.584 nan 8.300 nan 0.000 0.742 345 K N 0.080 120.531 120.400 0.086 0.000 2.102 345 K HA 0.061 4.380 4.320 -0.001 0.000 0.208 345 K C 0.680 177.441 176.600 0.268 0.000 1.027 345 K CA 0.582 57.008 56.287 0.232 0.000 0.958 345 K CB 0.160 32.770 32.500 0.182 0.000 0.819 345 K HN 0.258 nan 8.250 nan 0.000 0.453 346 Q N 1.211 121.129 119.800 0.196 0.000 2.364 346 Q HA 0.056 4.396 4.340 -0.001 0.000 0.267 346 Q C 0.379 176.562 176.000 0.305 0.000 0.999 346 Q CA 0.263 56.208 55.803 0.237 0.000 0.886 346 Q CB 0.805 29.720 28.738 0.295 0.000 1.243 346 Q HN 0.294 nan 8.270 nan 0.000 0.415 347 N N 0.045 118.911 118.700 0.275 0.000 2.149 347 N HA -0.201 4.538 4.740 -0.001 0.000 0.188 347 N C 1.320 176.971 175.510 0.235 0.000 1.019 347 N CA 1.654 54.875 53.050 0.284 0.000 0.857 347 N CB -0.022 38.654 38.487 0.315 0.000 0.997 347 N HN 0.766 nan 8.380 nan 0.000 0.426 348 T N -1.408 113.295 114.554 0.247 0.000 2.881 348 T HA -0.150 4.199 4.350 -0.001 0.000 0.270 348 T C 1.633 176.520 174.700 0.311 0.000 1.068 348 T CA 1.030 63.293 62.100 0.272 0.000 1.131 348 T CB -0.177 68.843 68.868 0.254 0.000 0.871 348 T HN 0.313 nan 8.240 nan 0.000 0.479 349 E N -0.220 120.113 120.200 0.223 0.000 2.072 349 E HA -0.095 4.254 4.350 -0.001 0.000 0.190 349 E C 1.806 178.310 176.600 -0.161 0.000 0.982 349 E CA 0.730 57.036 56.400 -0.155 0.000 0.803 349 E CB -0.242 29.209 29.700 -0.415 0.000 0.755 349 E HN 0.700 nan 8.360 nan 0.000 0.453 350 W N 1.835 123.035 121.300 -0.165 0.000 2.335 350 W HA -0.187 4.472 4.660 -0.001 0.000 0.311 350 W C 2.129 178.591 176.519 -0.096 0.000 1.213 350 W CA 1.305 58.536 57.345 -0.190 0.000 1.274 350 W CB -0.297 28.687 29.460 -0.793 0.000 1.148 350 W HN 0.180 nan 8.180 nan 0.000 0.498 351 D N -0.477 120.028 120.400 0.176 0.000 2.104 351 D HA -0.185 4.455 4.640 -0.001 0.000 0.194 351 D C 2.270 178.643 176.300 0.122 0.000 0.994 351 D CA 1.565 55.673 54.000 0.180 0.000 0.830 351 D CB -1.052 39.858 40.800 0.183 0.000 0.959 351 D HN 0.027 nan 8.370 nan 0.000 0.452 352 V N 0.916 120.894 119.914 0.105 0.000 2.427 352 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 352 V C 2.271 178.386 176.094 0.036 0.000 1.051 352 V CA 1.553 63.895 62.300 0.069 0.000 1.048 352 V CB -0.073 31.839 31.823 0.148 0.000 0.666 352 V HN 0.151 nan 8.190 nan 0.000 0.456 353 Q N -0.344 119.512 119.800 0.095 0.000 2.020 353 Q HA -0.181 4.158 4.340 -0.001 0.000 0.198 353 Q C 2.341 178.528 176.000 0.311 0.000 0.974 353 Q CA 1.867 57.819 55.803 0.249 0.000 0.829 353 Q CB -0.485 28.370 28.738 0.194 0.000 0.894 353 Q HN 0.615 nan 8.270 nan 0.000 0.433 354 R N 0.510 121.155 120.500 0.243 0.000 2.070 354 R HA -0.116 4.224 4.340 -0.001 0.000 0.233 354 R C 2.255 178.709 176.300 0.255 0.000 1.137 354 R CA 1.479 57.757 56.100 0.296 0.000 0.945 354 R CB -0.148 30.279 30.300 0.212 0.000 0.845 354 R HN 0.060 nan 8.270 nan 0.000 0.430 355 V N 2.055 122.036 119.914 0.112 0.000 2.295 355 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 355 V C 2.062 178.088 176.094 -0.114 0.000 1.049 355 V CA 2.013 64.328 62.300 0.024 0.000 1.024 355 V CB -0.652 31.173 31.823 0.004 0.000 0.648 355 V HN 0.455 nan 8.190 nan 0.000 0.447 356 N N -0.809 117.707 118.700 -0.308 0.000 2.120 356 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 356 N C 1.855 177.038 175.510 -0.545 0.000 1.024 356 N CA 1.670 54.329 53.050 -0.652 0.000 0.852 356 N CB -0.317 37.176 38.487 -1.655 0.000 1.003 356 N HN 0.541 nan 8.380 nan 0.000 0.424 357 Y N 1.881 121.975 120.300 -0.343 0.000 2.242 357 Y HA -0.068 4.482 4.550 -0.001 0.000 0.291 357 Y C 2.366 177.764 175.900 -0.835 0.000 1.137 357 Y CA 0.983 58.764 58.100 -0.532 0.000 1.181 357 Y CB -0.058 38.188 38.460 -0.356 0.000 0.989 357 Y HN 0.124 nan 8.280 nan 0.000 0.527 358 E N -0.203 119.869 120.200 -0.214 0.000 2.110 358 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 358 E C 2.200 178.745 176.600 -0.090 0.000 0.988 358 E CA 1.005 57.354 56.400 -0.085 0.000 0.804 358 E CB -0.124 29.646 29.700 0.117 0.000 0.745 358 E HN 0.467 nan 8.360 nan 0.000 0.458 359 R N 0.333 120.756 120.500 -0.127 0.000 2.081 359 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 359 R C 2.460 178.725 176.300 -0.058 0.000 1.131 359 R CA 0.913 56.968 56.100 -0.076 0.000 0.960 359 R CB -0.262 29.973 30.300 -0.110 0.000 0.856 359 R HN 0.163 nan 8.270 nan 0.000 0.436 360 L N -0.451 120.666 121.223 -0.176 0.000 2.017 360 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 360 L C 2.225 179.136 176.870 0.069 0.000 1.073 360 L CA 1.488 56.263 54.840 -0.108 0.000 0.745 360 L CB -0.439 41.473 42.059 -0.245 0.000 0.894 360 L HN 0.165 nan 8.230 nan 0.000 0.432 361 F N -0.028 119.935 119.950 0.022 0.000 2.134 361 F HA -0.243 4.283 4.527 -0.001 0.000 0.299 361 F C 2.719 178.519 175.800 0.001 0.000 1.097 361 F CA 1.017 59.012 58.000 -0.007 0.000 1.264 361 F CB -0.249 38.704 39.000 -0.079 0.000 1.001 361 F HN 0.170 nan 8.300 nan 0.000 0.479 362 E N 0.063 120.390 120.200 0.212 0.000 2.085 362 E HA -0.317 4.032 4.350 -0.001 0.000 0.194 362 E C 1.982 178.663 176.600 0.136 0.000 0.994 362 E CA 1.636 58.121 56.400 0.142 0.000 0.801 362 E CB -0.194 29.573 29.700 0.112 0.000 0.743 362 E HN 0.480 nan 8.360 nan 0.000 0.453 363 H N 0.276 119.391 119.070 0.076 0.000 2.299 363 H HA -0.047 4.509 4.556 -0.001 0.000 0.302 363 H C 2.053 177.463 175.328 0.136 0.000 1.078 363 H CA 2.194 58.300 56.048 0.097 0.000 1.323 363 H CB -0.210 29.602 29.762 0.085 0.000 1.381 363 H HN 0.154 nan 8.280 nan 0.000 0.498 364 I N 0.448 121.053 120.570 0.058 0.000 2.163 364 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 364 I C 1.616 177.737 176.117 0.007 0.000 1.085 364 I CA 1.386 62.658 61.300 -0.047 0.000 1.347 364 I CB -0.325 37.587 38.000 -0.147 0.000 1.044 364 I HN 0.354 nan 8.210 nan 0.000 0.408 365 N N 0.379 119.086 118.700 0.011 0.000 2.453 365 N HA -0.105 4.634 4.740 -0.001 0.000 0.183 365 N C 1.764 177.258 175.510 -0.027 0.000 1.041 365 N CA 1.420 54.457 53.050 -0.022 0.000 0.900 365 N CB -0.224 38.241 38.487 -0.035 0.000 0.961 365 N HN 0.417 nan 8.380 nan 0.000 0.443 366 S N -1.135 114.546 115.700 -0.032 0.000 2.524 366 S HA 0.157 4.627 4.470 -0.001 0.000 0.215 366 S C 0.510 175.068 174.600 -0.069 0.000 0.986 366 S CA -0.267 57.909 58.200 -0.040 0.000 0.911 366 S CB 0.336 63.525 63.200 -0.018 0.000 0.805 366 S HN -0.071 nan 8.310 nan 0.000 0.501 367 Q N 1.551 121.289 119.800 -0.105 0.000 2.503 367 Q HA 0.547 4.886 4.340 -0.001 0.000 0.227 367 Q C 1.025 176.903 176.000 -0.203 0.000 1.109 367 Q CA 0.092 55.798 55.803 -0.161 0.000 0.922 367 Q CB 0.919 29.482 28.738 -0.292 0.000 1.249 367 Q HN 0.469 nan 8.270 nan 0.000 0.530 368 A N 2.371 125.130 122.820 -0.102 0.000 1.997 368 A HA -0.277 4.042 4.320 -0.001 0.000 0.221 368 A C 1.599 179.113 177.584 -0.117 0.000 1.172 368 A CA 2.225 54.213 52.037 -0.082 0.000 0.645 368 A CB -0.742 18.237 19.000 -0.035 0.000 0.813 368 A HN 0.881 nan 8.150 nan 0.000 0.454 369 H N -3.371 115.619 119.070 -0.132 0.000 2.518 369 H HA -0.011 4.544 4.556 -0.001 0.000 0.292 369 H C 1.427 176.681 175.328 -0.124 0.000 1.068 369 H CA 1.528 57.481 56.048 -0.159 0.000 1.275 369 H CB -0.678 28.934 29.762 -0.250 0.000 1.375 369 H HN 0.519 nan 8.280 nan 0.000 0.563 370 F N 0.722 120.353 119.950 -0.531 0.000 2.416 370 F HA 0.034 4.560 4.527 -0.001 0.000 0.296 370 F C 0.654 176.395 175.800 -0.100 0.000 1.099 370 F CA 0.152 57.996 58.000 -0.261 0.000 1.427 370 F CB 0.081 38.910 39.000 -0.285 0.000 1.079 370 F HN 0.109 nan 8.300 nan 0.000 0.536 371 N N 0.984 119.727 118.700 0.072 0.000 2.725 371 N HA -0.164 4.576 4.740 -0.001 0.000 0.251 371 N C -1.127 174.371 175.510 -0.020 0.000 1.031 371 N CA 0.375 53.450 53.050 0.042 0.000 0.720 371 N CB -1.468 37.086 38.487 0.111 0.000 0.930 371 N HN 0.033 nan 8.380 nan 0.000 0.543 372 V N 0.630 120.522 119.914 -0.037 0.000 2.735 372 V HA 0.411 4.530 4.120 -0.001 0.000 0.310 372 V C 0.070 176.074 176.094 -0.150 0.000 1.061 372 V CA -0.662 61.561 62.300 -0.128 0.000 0.913 372 V CB 2.513 34.292 31.823 -0.072 0.000 1.005 372 V HN 0.183 nan 8.190 nan 0.000 0.428 373 Q N 3.092 122.744 119.800 -0.246 0.000 2.363 373 Q HA 0.756 5.096 4.340 -0.001 0.000 0.265 373 Q C -0.804 174.932 176.000 -0.438 0.000 1.032 373 Q CA -0.151 55.483 55.803 -0.280 0.000 0.746 373 Q CB 1.564 30.139 28.738 -0.271 0.000 1.237 373 Q HN 0.993 nan 8.270 nan 0.000 0.475 374 A N 4.158 126.703 122.820 -0.458 0.000 2.340 374 A HA 0.938 5.258 4.320 -0.001 0.000 0.331 374 A C -1.127 175.765 177.584 -1.153 0.000 1.140 374 A CA -0.468 51.121 52.037 -0.747 0.000 0.801 374 A CB 1.213 19.941 19.000 -0.454 0.000 1.234 374 A HN 0.775 nan 8.150 nan 0.000 0.469 375 Q N 0.985 120.002 119.800 -1.305 0.000 2.633 375 Q HA 0.395 4.735 4.340 -0.001 0.000 0.289 375 Q C -1.590 173.975 176.000 -0.726 0.000 0.940 375 Q CA -0.615 54.460 55.803 -1.214 0.000 0.785 375 Q CB 0.597 29.002 28.738 -0.556 0.000 1.467 375 Q HN 0.482 nan 8.270 nan 0.000 0.401 376 F N 0.275 120.135 119.950 -0.151 0.000 2.506 376 F HA 0.615 5.142 4.527 -0.001 0.000 0.351 376 F C 1.268 177.106 175.800 0.064 0.000 1.136 376 F CA 1.199 59.231 58.000 0.054 0.000 1.298 376 F CB 1.191 40.276 39.000 0.142 0.000 1.145 376 F HN 0.758 nan 8.300 nan 0.000 0.593 377 G N 0.427 109.399 108.800 0.286 0.000 2.687 377 G HA2 0.571 4.531 3.960 -0.001 0.000 0.291 377 G HA3 0.571 4.531 3.960 -0.001 0.000 0.291 377 G C -1.228 173.664 174.900 -0.012 0.000 1.420 377 G CA -0.740 44.466 45.100 0.176 0.000 0.796 377 G HN 0.661 nan 8.290 nan 0.000 0.485 378 T N -1.818 112.650 114.554 -0.143 0.000 2.937 378 T HA 0.479 4.828 4.350 -0.001 0.000 0.283 378 T C 1.286 175.824 174.700 -0.271 0.000 1.012 378 T CA -0.452 61.528 62.100 -0.200 0.000 0.997 378 T CB 1.549 70.314 68.868 -0.172 0.000 1.136 378 T HN 0.612 nan 8.240 nan 0.000 0.551 379 L N 0.526 121.586 121.223 -0.271 0.000 2.046 379 L HA 0.022 4.361 4.340 -0.001 0.000 0.208 379 L C 2.726 179.538 176.870 -0.097 0.000 1.077 379 L CA 1.988 56.691 54.840 -0.228 0.000 0.747 379 L CB -1.156 40.803 42.059 -0.167 0.000 0.896 379 L HN 0.888 nan 8.230 nan 0.000 0.432 380 Q N -0.095 119.680 119.800 -0.043 0.000 2.170 380 Q HA -0.221 4.119 4.340 -0.001 0.000 0.203 380 Q C 2.125 178.054 176.000 -0.118 0.000 0.976 380 Q CA 1.896 57.713 55.803 0.023 0.000 0.858 380 Q CB -0.191 28.534 28.738 -0.021 0.000 0.907 380 Q HN 0.635 nan 8.270 nan 0.000 0.433 381 E N -1.299 118.738 120.200 -0.271 0.000 2.110 381 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 381 E C 1.609 177.762 176.600 -0.745 0.000 0.988 381 E CA 1.069 57.187 56.400 -0.469 0.000 0.804 381 E CB -0.234 29.093 29.700 -0.622 0.000 0.745 381 E HN 0.485 nan 8.360 nan 0.000 0.458 382 Y N 0.393 120.154 120.300 -0.898 0.000 2.114 382 Y HA -0.251 4.299 4.550 -0.001 0.000 0.284 382 Y C 1.797 177.403 175.900 -0.490 0.000 1.143 382 Y CA 1.710 59.307 58.100 -0.839 0.000 1.135 382 Y CB -0.666 37.327 38.460 -0.779 0.000 0.980 382 Y HN -0.015 nan 8.280 nan 0.000 0.499 383 F N 0.590 120.253 119.950 -0.479 0.000 2.171 383 F HA -0.247 4.279 4.527 -0.001 0.000 0.300 383 F C 2.217 177.775 175.800 -0.403 0.000 1.090 383 F CA 1.278 58.982 58.000 -0.494 0.000 1.293 383 F CB -0.293 38.620 39.000 -0.146 0.000 1.013 383 F HN 0.100 nan 8.300 nan 0.000 0.486 384 D N 0.260 120.601 120.400 -0.099 0.000 2.117 384 D HA -0.163 4.477 4.640 -0.001 0.000 0.197 384 D C 2.267 178.489 176.300 -0.130 0.000 0.987 384 D CA 1.392 55.345 54.000 -0.078 0.000 0.829 384 D CB -0.503 40.242 40.800 -0.092 0.000 0.961 384 D HN 0.253 nan 8.370 nan 0.000 0.460 385 A N 0.409 123.096 122.820 -0.222 0.000 1.929 385 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 385 A C 2.514 179.978 177.584 -0.199 0.000 1.176 385 A CA 0.886 52.838 52.037 -0.141 0.000 0.628 385 A CB -0.636 18.362 19.000 -0.004 0.000 0.816 385 A HN 0.128 nan 8.150 nan 0.000 0.444 386 V N -0.024 119.636 119.914 -0.424 0.000 2.287 386 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 386 V C 2.425 178.334 176.094 -0.309 0.000 1.053 386 V CA 2.162 64.204 62.300 -0.430 0.000 1.027 386 V CB -1.024 30.350 31.823 -0.747 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.289 118.655 119.070 -0.211 0.000 2.457 387 H HA -0.092 4.463 4.556 -0.001 0.000 0.294 387 H C 2.408 177.698 175.328 -0.064 0.000 1.064 387 H CA 1.382 57.342 56.048 -0.148 0.000 1.330 387 H CB -0.058 29.574 29.762 -0.216 0.000 1.395 387 H HN 0.563 nan 8.280 nan 0.000 0.541 388 Q N 0.184 119.999 119.800 0.025 0.000 2.119 388 Q HA -0.032 4.307 4.340 -0.001 0.000 0.201 388 Q C 2.560 178.578 176.000 0.030 0.000 0.972 388 Q CA 1.156 56.972 55.803 0.021 0.000 0.847 388 Q CB 0.042 28.780 28.738 0.001 0.000 0.903 388 Q HN 0.398 nan 8.270 nan 0.000 0.433 389 A N 1.096 123.930 122.820 0.023 0.000 1.902 389 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 389 A C 1.939 179.559 177.584 0.060 0.000 1.181 389 A CA 1.592 53.658 52.037 0.047 0.000 0.623 389 A CB -0.521 18.511 19.000 0.053 0.000 0.818 389 A HN 0.436 nan 8.150 nan 0.000 0.443 390 E N -0.190 120.064 120.200 0.090 0.000 2.051 390 E HA -0.220 4.129 4.350 -0.001 0.000 0.192 390 E C 2.227 178.874 176.600 0.077 0.000 0.991 390 E CA 1.136 57.605 56.400 0.114 0.000 0.799 390 E CB -0.155 29.722 29.700 0.294 0.000 0.748 390 E HN 0.563 nan 8.360 nan 0.000 0.449 391 R N -0.256 120.291 120.500 0.077 0.000 2.152 391 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 391 R C 2.053 178.374 176.300 0.034 0.000 1.117 391 R CA 0.854 56.984 56.100 0.049 0.000 0.981 391 R CB -0.157 30.165 30.300 0.038 0.000 0.870 391 R HN 0.140 nan 8.270 nan 0.000 0.451 392 A N 0.213 123.055 122.820 0.036 0.000 2.235 392 A HA 0.185 4.504 4.320 -0.001 0.000 0.208 392 A C 1.314 178.913 177.584 0.026 0.000 1.172 392 A CA 0.735 52.791 52.037 0.032 0.000 0.786 392 A CB -0.154 18.870 19.000 0.041 0.000 0.804 392 A HN 0.439 nan 8.150 nan 0.000 0.479 393 G N -1.033 107.779 108.800 0.020 0.000 2.147 393 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.244 393 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.244 393 G C 0.714 175.612 174.900 -0.003 0.000 1.005 393 G CA 0.625 45.729 45.100 0.005 0.000 0.713 393 G HN 0.552 nan 8.290 nan 0.000 0.515 394 Q N -0.746 119.059 119.800 0.008 0.000 2.331 394 Q HA 0.505 4.844 4.340 -0.001 0.000 0.203 394 Q C 1.144 177.124 176.000 -0.032 0.000 0.944 394 Q CA 1.375 57.188 55.803 0.017 0.000 0.892 394 Q CB 0.070 28.851 28.738 0.071 0.000 0.983 394 Q HN 1.302 nan 8.270 nan 0.000 0.482 395 A N 0.329 123.084 122.820 -0.107 0.000 2.612 395 A HA 0.515 4.835 4.320 -0.001 0.000 0.293 395 A C -1.715 175.636 177.584 -0.388 0.000 1.075 395 A CA -0.708 51.171 52.037 -0.263 0.000 0.680 395 A CB 1.604 20.384 19.000 -0.366 0.000 1.279 395 A HN 0.171 nan 8.150 nan 0.000 0.411 396 E N 0.492 120.438 120.200 -0.423 0.000 2.266 396 E HA 0.734 5.083 4.350 -0.001 0.000 0.268 396 E C -1.808 174.557 176.600 -0.391 0.000 0.879 396 E CA -0.453 55.769 56.400 -0.298 0.000 0.762 396 E CB 1.219 30.865 29.700 -0.090 0.000 1.199 396 E HN 0.443 nan 8.360 nan 0.000 0.422 397 F N 3.643 123.698 119.950 0.174 0.000 2.458 397 F HA 0.487 5.014 4.527 -0.000 0.000 0.330 397 F C -1.697 174.203 175.800 0.166 0.000 1.082 397 F CA -1.886 56.238 58.000 0.206 0.000 0.995 397 F CB 1.406 40.603 39.000 0.328 0.000 1.170 397 F HN 0.367 nan 8.300 nan 0.000 0.478 398 P HA 0.173 nan 4.420 nan 0.000 0.274 398 P C -0.762 176.680 177.300 0.237 0.000 1.246 398 P CA -0.358 62.873 63.100 0.218 0.000 0.795 398 P CB 1.151 32.948 31.700 0.162 0.000 1.006 399 T N -0.807 113.838 114.554 0.152 0.000 2.929 399 T HA 0.715 5.064 4.350 -0.001 0.000 0.284 399 T C -0.313 174.423 174.700 0.060 0.000 1.014 399 T CA -0.831 61.354 62.100 0.141 0.000 1.051 399 T CB 1.212 70.139 68.868 0.098 0.000 1.028 399 T HN 0.492 nan 8.240 nan 0.000 0.485 400 L N 1.473 122.732 121.223 0.059 0.000 2.466 400 L HA 0.727 5.067 4.340 -0.001 0.000 0.258 400 L C -0.879 175.991 176.870 -0.000 0.000 0.973 400 L CA -0.426 54.345 54.840 -0.116 0.000 0.826 400 L CB 2.185 43.935 42.059 -0.515 0.000 1.372 400 L HN 1.123 nan 8.230 nan 0.000 0.409 401 S N 2.333 117.989 115.700 -0.074 0.000 2.595 401 S HA 1.058 5.527 4.470 -0.001 0.000 0.281 401 S C -0.366 174.184 174.600 -0.084 0.000 1.117 401 S CA -0.005 58.215 58.200 0.033 0.000 0.873 401 S CB 2.047 65.217 63.200 -0.050 0.000 1.108 401 S HN 1.781 nan 8.310 nan 0.000 0.477 402 G N 1.092 109.894 108.800 0.002 0.000 2.343 402 G HA2 0.328 4.287 3.960 -0.001 0.000 0.562 402 G HA3 0.328 4.287 3.960 -0.001 0.000 0.562 402 G C -1.730 173.082 174.900 -0.147 0.000 1.269 402 G CA 0.011 45.010 45.100 -0.168 0.000 1.011 402 G HN 1.305 nan 8.290 nan 0.000 0.498 403 D N -1.745 118.424 120.400 -0.384 0.000 2.687 403 D HA 0.749 5.388 4.640 -0.001 0.000 0.264 403 D C -0.596 175.169 176.300 -0.892 0.000 1.091 403 D CA -1.061 52.718 54.000 -0.369 0.000 1.123 403 D CB 0.985 41.742 40.800 -0.073 0.000 1.407 403 D HN 0.445 nan 8.370 nan 0.000 0.591 404 F N -0.508 119.325 119.950 -0.195 0.000 2.679 404 F HA 0.417 4.943 4.527 -0.001 0.000 0.354 404 F C -0.817 174.851 175.800 -0.220 0.000 1.423 404 F CA -0.649 57.242 58.000 -0.181 0.000 1.141 404 F CB 0.338 39.256 39.000 -0.136 0.000 1.168 404 F HN -0.005 nan 8.300 nan 0.000 0.530 405 F N -0.565 119.563 119.950 0.298 0.000 2.546 405 F HA 0.529 5.056 4.527 -0.001 0.000 0.320 405 F C 0.493 176.558 175.800 0.441 0.000 1.076 405 F CA -1.114 57.135 58.000 0.414 0.000 0.928 405 F CB 2.058 41.287 39.000 0.382 0.000 1.189 405 F HN -0.261 nan 8.300 nan 0.000 0.465 406 T N 1.806 116.753 114.554 0.656 0.000 2.795 406 T HA 0.156 4.506 4.350 -0.001 0.000 0.282 406 T C -1.008 174.165 174.700 0.788 0.000 0.980 406 T CA -0.299 62.250 62.100 0.749 0.000 1.012 406 T CB 0.376 69.546 68.868 0.502 0.000 0.936 406 T HN 0.360 nan 8.240 nan 0.000 0.457 407 Y N 3.016 123.649 120.300 0.554 0.000 2.511 407 Y HA 0.416 4.965 4.550 -0.001 0.000 0.332 407 Y C -0.160 175.769 175.900 0.048 0.000 1.177 407 Y CA -1.026 57.225 58.100 0.251 0.000 1.422 407 Y CB 0.113 38.613 38.460 0.067 0.000 1.271 407 Y HN 0.674 nan 8.280 nan 0.000 0.550 408 A N 5.290 127.629 122.820 -0.802 0.000 2.359 408 A HA 0.359 4.678 4.320 -0.001 0.000 0.303 408 A C -0.118 176.841 177.584 -1.042 0.000 1.066 408 A CA -0.278 51.141 52.037 -1.030 0.000 0.730 408 A CB 0.691 18.758 19.000 -1.556 0.000 1.211 408 A HN 0.802 nan 8.150 nan 0.000 0.439 409 D N 1.609 121.554 120.400 -0.759 0.000 2.346 409 D HA 0.060 4.699 4.640 -0.001 0.000 0.206 409 D C 0.499 176.836 176.300 0.062 0.000 1.001 409 D CA 0.476 54.286 54.000 -0.317 0.000 0.871 409 D CB 0.166 40.911 40.800 -0.091 0.000 0.943 409 D HN 0.730 nan 8.370 nan 0.000 0.518 410 R N -2.338 118.146 120.500 -0.028 0.000 2.739 410 R HA 0.396 4.735 4.340 -0.001 0.000 0.266 410 R C -0.240 175.984 176.300 -0.127 0.000 1.044 410 R CA -0.206 55.731 56.100 -0.273 0.000 0.885 410 R CB 0.733 30.931 30.300 -0.170 0.000 1.260 410 R HN -0.110 nan 8.270 nan 0.000 0.477 411 S N 0.297 115.861 115.700 -0.228 0.000 4.059 411 S HA -0.288 4.181 4.470 -0.001 0.000 0.624 411 S C 0.374 175.086 174.600 0.187 0.000 2.019 411 S CA 1.910 60.119 58.200 0.016 0.000 4.197 411 S CB -1.119 62.074 63.200 -0.013 0.000 0.215 411 S HN 1.096 nan 8.310 nan 0.000 0.609 412 D N 1.344 121.832 120.400 0.147 0.000 2.424 412 D HA 0.204 4.844 4.640 -0.001 0.000 0.220 412 D C 0.030 176.464 176.300 0.224 0.000 1.150 412 D CA -0.143 54.018 54.000 0.269 0.000 0.831 412 D CB -1.391 39.535 40.800 0.210 0.000 0.981 412 D HN 0.514 nan 8.370 nan 0.000 0.500 413 N N 0.943 119.674 118.700 0.051 0.000 2.605 413 N HA 0.043 4.783 4.740 -0.001 0.000 0.258 413 N C -0.959 174.577 175.510 0.043 0.000 1.156 413 N CA -0.244 52.830 53.050 0.040 0.000 1.008 413 N CB 0.127 38.618 38.487 0.006 0.000 1.354 413 N HN 0.134 nan 8.380 nan 0.000 0.509 414 Y N 0.331 120.721 120.300 0.149 0.000 2.313 414 Y HA 0.132 4.681 4.550 -0.001 0.000 0.332 414 Y C 0.046 176.145 175.900 0.331 0.000 1.071 414 Y CA -0.708 57.541 58.100 0.248 0.000 1.169 414 Y CB 0.611 39.165 38.460 0.156 0.000 1.192 414 Y HN 0.407 nan 8.280 nan 0.000 0.487 415 W N 2.444 123.866 121.300 0.203 0.000 1.694 415 W HA 0.220 4.880 4.660 -0.001 0.000 0.425 415 W C 0.837 177.388 176.519 0.053 0.000 0.615 415 W CA -0.563 56.936 57.345 0.258 0.000 2.237 415 W CB -0.525 29.206 29.460 0.452 0.000 1.478 415 W HN 0.542 nan 8.180 nan 0.000 0.427 416 S N -2.107 113.607 115.700 0.022 0.000 2.556 416 S HA 0.133 4.602 4.470 -0.001 0.000 0.216 416 S C 1.949 176.241 174.600 -0.513 0.000 0.970 416 S CA 0.314 58.126 58.200 -0.647 0.000 0.912 416 S CB 0.183 63.357 63.200 -0.043 0.000 0.790 416 S HN 0.339 nan 8.310 nan 0.000 0.504 417 G N 2.036 110.758 108.800 -0.130 0.000 2.402 417 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 417 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 417 G C 1.247 176.126 174.900 -0.035 0.000 1.162 417 G CA 0.868 45.913 45.100 -0.092 0.000 0.777 417 G HN 0.794 nan 8.290 nan 0.000 0.539 418 Y N -0.797 119.480 120.300 -0.038 0.000 2.616 418 Y HA 0.161 4.710 4.550 -0.001 0.000 0.296 418 Y C 1.944 177.975 175.900 0.220 0.000 1.154 418 Y CA -0.002 58.154 58.100 0.094 0.000 1.325 418 Y CB -0.551 38.047 38.460 0.229 0.000 1.007 418 Y HN 0.344 nan 8.280 nan 0.000 0.542 419 Y N 0.245 120.326 120.300 -0.366 0.000 2.574 419 Y HA -0.102 4.447 4.550 -0.001 0.000 0.294 419 Y C 1.435 177.285 175.900 -0.083 0.000 1.142 419 Y CA 0.643 58.558 58.100 -0.310 0.000 1.314 419 Y CB 0.190 38.511 38.460 -0.230 0.000 0.991 419 Y HN 0.265 nan 8.280 nan 0.000 0.555 420 T N -2.334 112.293 114.554 0.121 0.000 2.980 420 T HA 0.044 4.393 4.350 -0.001 0.000 0.252 420 T C 0.602 175.392 174.700 0.149 0.000 0.962 420 T CA -0.175 61.997 62.100 0.119 0.000 0.932 420 T CB 0.137 69.045 68.868 0.067 0.000 1.188 420 T HN -0.088 nan 8.240 nan 0.000 0.500 421 S N 2.511 118.298 115.700 0.144 0.000 2.573 421 S HA 0.170 4.640 4.470 -0.001 0.000 0.297 421 S C 0.405 175.140 174.600 0.225 0.000 1.280 421 S CA -0.003 58.292 58.200 0.159 0.000 1.061 421 S CB 0.066 63.345 63.200 0.132 0.000 0.812 421 S HN 0.413 nan 8.310 nan 0.000 0.500 422 R N 1.011 121.659 120.500 0.247 0.000 3.146 422 R HA -0.127 4.213 4.340 -0.001 0.000 0.250 422 R C -1.910 174.633 176.300 0.404 0.000 0.912 422 R CA 0.712 57.032 56.100 0.367 0.000 0.633 422 R CB -1.658 28.895 30.300 0.422 0.000 1.180 422 R HN 0.525 nan 8.270 nan 0.000 0.464 423 P HA -0.222 nan 4.420 nan 0.000 0.223 423 P C 1.063 178.559 177.300 0.326 0.000 1.151 423 P CA 0.996 64.306 63.100 0.350 0.000 0.787 423 P CB 0.004 31.953 31.700 0.415 0.000 0.788 424 Y N 1.519 121.896 120.300 0.128 0.000 2.181 424 Y HA -0.238 4.311 4.550 -0.001 0.000 0.288 424 Y C 2.282 178.146 175.900 -0.060 0.000 1.146 424 Y CA 2.025 60.121 58.100 -0.007 0.000 1.164 424 Y CB -0.947 37.382 38.460 -0.220 0.000 0.982 424 Y HN 0.052 nan 8.280 nan 0.000 0.515 425 H N -0.810 118.490 119.070 0.384 0.000 2.470 425 H HA 0.019 4.575 4.556 -0.001 0.000 0.289 425 H C 2.020 177.481 175.328 0.221 0.000 1.033 425 H CA 1.250 57.435 56.048 0.228 0.000 1.331 425 H CB -0.057 29.907 29.762 0.336 0.000 1.414 425 H HN 0.251 nan 8.280 nan 0.000 0.545 426 K N 0.323 120.923 120.400 0.334 0.000 2.097 426 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 426 K C 2.225 178.872 176.600 0.078 0.000 1.050 426 K CA 1.046 57.478 56.287 0.242 0.000 0.938 426 K CB 0.112 32.735 32.500 0.205 0.000 0.718 426 K HN 0.029 nan 8.250 nan 0.000 0.442 427 R N 1.399 121.908 120.500 0.016 0.000 2.090 427 R HA 0.019 4.359 4.340 -0.001 0.000 0.228 427 R C 2.004 178.039 176.300 -0.442 0.000 1.110 427 R CA 1.360 57.401 56.100 -0.099 0.000 0.973 427 R CB -0.421 29.912 30.300 0.055 0.000 0.869 427 R HN 0.139 nan 8.270 nan 0.000 0.440 428 M N 0.310 119.499 119.600 -0.684 0.000 2.149 428 M HA -0.188 4.291 4.480 -0.001 0.000 0.261 428 M C 1.397 177.331 176.300 -0.610 0.000 1.064 428 M CA 2.389 57.022 55.300 -1.111 0.000 1.102 428 M CB -0.299 31.822 32.600 -0.799 0.000 1.369 428 M HN 0.277 nan 8.290 nan 0.000 0.408 429 D N -0.241 120.011 120.400 -0.246 0.000 2.123 429 D HA -0.213 4.427 4.640 -0.001 0.000 0.196 429 D C 1.891 178.109 176.300 -0.136 0.000 0.992 429 D CA 1.417 55.383 54.000 -0.057 0.000 0.833 429 D CB 0.124 41.039 40.800 0.192 0.000 0.954 429 D HN 0.221 nan 8.370 nan 0.000 0.455 430 R N 0.060 120.463 120.500 -0.161 0.000 2.090 430 R HA -0.007 4.333 4.340 -0.001 0.000 0.228 430 R C 2.427 178.625 176.300 -0.171 0.000 1.110 430 R CA 0.438 56.454 56.100 -0.139 0.000 0.973 430 R CB -0.943 29.296 30.300 -0.103 0.000 0.869 430 R HN 0.260 nan 8.270 nan 0.000 0.440 431 V N 1.547 121.263 119.914 -0.330 0.000 2.261 431 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 431 V C 2.378 178.315 176.094 -0.261 0.000 1.047 431 V CA 1.514 63.610 62.300 -0.340 0.000 1.015 431 V CB -0.583 30.746 31.823 -0.823 0.000 0.642 431 V HN 0.133 nan 8.190 nan 0.000 0.446 432 L N -0.313 120.670 121.223 -0.400 0.000 2.083 432 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 432 L C 2.334 179.136 176.870 -0.113 0.000 1.083 432 L CA 2.116 56.785 54.840 -0.284 0.000 0.752 432 L CB -0.704 41.184 42.059 -0.286 0.000 0.899 432 L HN 0.350 nan 8.230 nan 0.000 0.433 433 M N -1.321 118.212 119.600 -0.112 0.000 2.089 433 M HA -0.341 4.138 4.480 -0.001 0.000 0.257 433 M C 2.368 178.631 176.300 -0.063 0.000 1.071 433 M CA 2.471 57.708 55.300 -0.105 0.000 1.096 433 M CB -0.427 32.082 32.600 -0.152 0.000 1.330 433 M HN 0.557 nan 8.290 nan 0.000 0.403 434 H N -0.789 118.248 119.070 -0.055 0.000 2.395 434 H HA -0.138 4.417 4.556 -0.001 0.000 0.299 434 H C 1.439 176.822 175.328 0.091 0.000 1.070 434 H CA 2.245 58.294 56.048 0.002 0.000 1.356 434 H CB -0.313 29.460 29.762 0.018 0.000 1.401 434 H HN 0.483 nan 8.280 nan 0.000 0.524 435 Y N -0.497 119.652 120.300 -0.251 0.000 2.242 435 Y HA -0.137 4.413 4.550 -0.001 0.000 0.291 435 Y C 2.705 178.480 175.900 -0.209 0.000 1.137 435 Y CA 1.150 59.109 58.100 -0.235 0.000 1.181 435 Y CB -0.539 37.849 38.460 -0.121 0.000 0.989 435 Y HN 0.113 nan 8.280 nan 0.000 0.527 436 V N 0.218 120.126 119.914 -0.010 0.000 2.295 436 V HA -0.313 3.806 4.120 -0.001 0.000 0.246 436 V C 2.540 178.576 176.094 -0.096 0.000 1.049 436 V CA 2.220 64.484 62.300 -0.060 0.000 1.024 436 V CB -0.585 31.192 31.823 -0.076 0.000 0.648 436 V HN 0.316 nan 8.190 nan 0.000 0.447 437 R N 0.442 120.866 120.500 -0.128 0.000 2.083 437 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 437 R C 2.220 178.460 176.300 -0.099 0.000 1.137 437 R CA 1.968 58.001 56.100 -0.112 0.000 0.951 437 R CB -0.506 29.727 30.300 -0.112 0.000 0.851 437 R HN 0.462 nan 8.270 nan 0.000 0.434 438 A N 0.643 123.346 122.820 -0.195 0.000 1.930 438 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 438 A C 2.379 179.920 177.584 -0.071 0.000 1.175 438 A CA 1.549 53.533 52.037 -0.088 0.000 0.627 438 A CB -0.715 18.157 19.000 -0.213 0.000 0.815 438 A HN 0.580 nan 8.150 nan 0.000 0.443 439 A N -0.134 122.632 122.820 -0.089 0.000 1.873 439 A HA -0.151 4.169 4.320 -0.001 0.000 0.215 439 A C 1.941 179.480 177.584 -0.075 0.000 1.186 439 A CA 1.538 53.533 52.037 -0.070 0.000 0.616 439 A CB -0.510 18.458 19.000 -0.053 0.000 0.823 439 A HN 0.607 nan 8.150 nan 0.000 0.442 440 E N -0.972 119.181 120.200 -0.078 0.000 2.106 440 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 440 E C 2.051 178.594 176.600 -0.096 0.000 0.984 440 E CA 1.326 57.672 56.400 -0.090 0.000 0.806 440 E CB -0.250 29.398 29.700 -0.087 0.000 0.750 440 E HN 0.754 nan 8.360 nan 0.000 0.458 441 M N 0.695 120.261 119.600 -0.058 0.000 2.123 441 M HA -0.131 4.348 4.480 -0.001 0.000 0.263 441 M C 2.131 178.433 176.300 0.002 0.000 1.069 441 M CA 1.301 56.569 55.300 -0.053 0.000 1.133 441 M CB 0.056 32.717 32.600 0.101 0.000 1.356 441 M HN 0.067 nan 8.290 nan 0.000 0.415 442 L N 0.152 121.427 121.223 0.087 0.000 2.131 442 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 442 L C 2.565 179.592 176.870 0.261 0.000 1.092 442 L CA 1.637 56.589 54.840 0.186 0.000 0.759 442 L CB -0.524 41.491 42.059 -0.073 0.000 0.903 442 L HN 0.512 nan 8.230 nan 0.000 0.435 443 S N -1.121 114.651 115.700 0.120 0.000 2.528 443 S HA 0.103 4.572 4.470 -0.001 0.000 0.219 443 S C 1.948 176.717 174.600 0.282 0.000 0.985 443 S CA 0.334 58.676 58.200 0.237 0.000 0.914 443 S CB 0.092 63.236 63.200 -0.094 0.000 0.776 443 S HN 0.282 nan 8.310 nan 0.000 0.526 444 A N 0.922 123.735 122.820 -0.011 0.000 2.015 444 A HA 0.109 4.429 4.320 -0.001 0.000 0.219 444 A C 1.672 179.144 177.584 -0.186 0.000 1.163 444 A CA 0.687 52.619 52.037 -0.175 0.000 0.646 444 A CB -1.140 17.604 19.000 -0.426 0.000 0.806 444 A HN 0.754 nan 8.150 nan 0.000 0.448 445 W N -0.637 120.672 121.300 0.016 0.000 2.392 445 W HA -0.011 4.648 4.660 -0.001 0.000 0.279 445 W C 0.928 177.241 176.519 -0.344 0.000 1.225 445 W CA 1.001 58.256 57.345 -0.149 0.000 1.233 445 W CB -0.163 29.161 29.460 -0.225 0.000 1.122 445 W HN 0.391 nan 8.180 nan 0.000 0.561 446 H N -2.437 116.700 119.070 0.112 0.000 2.771 446 H HA 0.384 4.939 4.556 -0.001 0.000 0.367 446 H C -0.496 174.743 175.328 -0.149 0.000 1.172 446 H CA -0.936 55.022 56.048 -0.151 0.000 1.186 446 H CB 1.752 31.183 29.762 -0.552 0.000 1.790 446 H HN -0.448 nan 8.280 nan 0.000 0.556 447 S N 0.750 116.414 115.700 -0.059 0.000 2.525 447 S HA 0.301 4.770 4.470 -0.001 0.000 0.278 447 S C -1.367 173.145 174.600 -0.146 0.000 1.234 447 S CA -0.662 57.531 58.200 -0.012 0.000 1.058 447 S CB 0.190 63.385 63.200 -0.009 0.000 0.983 447 S HN 0.370 nan 8.310 nan 0.000 0.495 448 W N 2.319 123.622 121.300 0.004 0.000 2.666 448 W HA 0.356 5.015 4.660 -0.001 0.000 0.334 448 W C 0.191 176.672 176.519 -0.064 0.000 1.051 448 W CA -0.818 56.504 57.345 -0.038 0.000 1.224 448 W CB 0.578 29.978 29.460 -0.101 0.000 1.405 448 W HN 0.560 nan 8.180 nan 0.000 0.513 449 D N 1.153 121.641 120.400 0.145 0.000 2.472 449 D HA -0.024 4.615 4.640 -0.001 0.000 0.237 449 D C 1.451 177.763 176.300 0.020 0.000 1.141 449 D CA 0.957 55.009 54.000 0.086 0.000 0.875 449 D CB 1.596 42.480 40.800 0.141 0.000 1.192 449 D HN 0.701 nan 8.370 nan 0.000 0.450 450 G N 3.539 112.358 108.800 0.031 0.000 2.485 450 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.221 450 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.221 450 G C 1.597 176.482 174.900 -0.025 0.000 1.115 450 G CA 0.478 45.582 45.100 0.006 0.000 0.751 450 G HN 0.577 nan 8.290 nan 0.000 0.567 451 M N 0.725 120.326 119.600 0.003 0.000 2.460 451 M HA 0.067 4.546 4.480 -0.001 0.000 0.263 451 M C 2.768 179.013 176.300 -0.092 0.000 1.071 451 M CA 0.907 56.233 55.300 0.045 0.000 1.096 451 M CB 0.009 32.738 32.600 0.214 0.000 1.408 451 M HN 0.306 nan 8.290 nan 0.000 0.463 452 A N 0.237 122.764 122.820 -0.488 0.000 2.167 452 A HA -0.029 4.290 4.320 -0.001 0.000 0.214 452 A C 1.139 178.517 177.584 -0.344 0.000 1.151 452 A CA 0.364 51.872 52.037 -0.883 0.000 0.735 452 A CB -0.386 17.941 19.000 -1.121 0.000 0.802 452 A HN 0.564 nan 8.150 nan 0.000 0.467 453 R N -1.521 118.859 120.500 -0.200 0.000 3.516 453 R HA -0.190 4.150 4.340 -0.001 0.000 0.271 453 R C 0.652 176.847 176.300 -0.175 0.000 1.098 453 R CA 0.708 56.732 56.100 -0.127 0.000 0.732 453 R CB -2.021 28.239 30.300 -0.067 0.000 1.152 453 R HN 0.475 nan 8.270 nan 0.000 0.455 454 I N 0.414 120.829 120.570 -0.258 0.000 2.163 454 I HA -0.183 3.987 4.170 -0.001 0.000 0.240 454 I C 2.157 178.155 176.117 -0.198 0.000 1.081 454 I CA 1.626 62.727 61.300 -0.331 0.000 1.353 454 I CB -0.709 36.956 38.000 -0.558 0.000 1.054 454 I HN 0.200 nan 8.210 nan 0.000 0.407 455 E N 0.761 120.882 120.200 -0.131 0.000 2.085 455 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 455 E C 2.108 178.664 176.600 -0.073 0.000 0.994 455 E CA 1.301 57.652 56.400 -0.082 0.000 0.801 455 E CB -0.253 29.422 29.700 -0.042 0.000 0.743 455 E HN 0.477 nan 8.360 nan 0.000 0.453 456 E N 0.341 120.500 120.200 -0.069 0.000 2.051 456 E HA -0.253 4.097 4.350 -0.001 0.000 0.192 456 E C 1.929 178.492 176.600 -0.062 0.000 0.991 456 E CA 1.080 57.448 56.400 -0.053 0.000 0.799 456 E CB 0.096 29.770 29.700 -0.042 0.000 0.748 456 E HN -0.025 nan 8.360 nan 0.000 0.449 457 R N 0.255 120.707 120.500 -0.080 0.000 2.092 457 R HA 0.007 4.346 4.340 -0.001 0.000 0.231 457 R C 2.377 178.628 176.300 -0.082 0.000 1.119 457 R CA 0.850 56.905 56.100 -0.075 0.000 0.970 457 R CB -0.441 29.808 30.300 -0.085 0.000 0.864 457 R HN 0.275 nan 8.270 nan 0.000 0.440 458 L N -0.140 121.024 121.223 -0.098 0.000 2.093 458 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 458 L C 2.351 179.163 176.870 -0.097 0.000 1.085 458 L CA 1.417 56.199 54.840 -0.097 0.000 0.755 458 L CB -0.411 41.585 42.059 -0.105 0.000 0.904 458 L HN 0.287 nan 8.230 nan 0.000 0.435 459 E N 0.207 120.353 120.200 -0.090 0.000 2.077 459 E HA -0.302 4.048 4.350 -0.001 0.000 0.193 459 E C 2.222 178.749 176.600 -0.122 0.000 0.989 459 E CA 1.333 57.671 56.400 -0.103 0.000 0.800 459 E CB -0.007 29.653 29.700 -0.066 0.000 0.746 459 E HN 0.425 nan 8.360 nan 0.000 0.452 460 Q N 0.009 119.757 119.800 -0.086 0.000 2.050 460 Q HA -0.209 4.131 4.340 -0.001 0.000 0.202 460 Q C 2.110 178.057 176.000 -0.088 0.000 0.980 460 Q CA 1.636 57.393 55.803 -0.075 0.000 0.840 460 Q CB -0.244 28.465 28.738 -0.048 0.000 0.898 460 Q HN 0.354 nan 8.270 nan 0.000 0.424 461 A N 1.146 123.916 122.820 -0.084 0.000 1.902 461 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 461 A C 2.097 179.616 177.584 -0.109 0.000 1.181 461 A CA 1.520 53.508 52.037 -0.082 0.000 0.623 461 A CB -0.530 18.430 19.000 -0.067 0.000 0.818 461 A HN 0.385 nan 8.150 nan 0.000 0.443 462 R N -0.756 119.661 120.500 -0.139 0.000 2.081 462 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 462 R C 2.434 178.577 176.300 -0.261 0.000 1.131 462 R CA 1.600 57.594 56.100 -0.178 0.000 0.960 462 R CB -0.296 29.890 30.300 -0.190 0.000 0.856 462 R HN 0.506 nan 8.270 nan 0.000 0.436 463 R N 0.333 120.634 120.500 -0.332 0.000 2.092 463 R HA -0.072 4.268 4.340 -0.001 0.000 0.231 463 R C 2.070 178.289 176.300 -0.135 0.000 1.119 463 R CA 0.928 56.746 56.100 -0.469 0.000 0.970 463 R CB -0.011 30.025 30.300 -0.439 0.000 0.864 463 R HN 0.206 nan 8.270 nan 0.000 0.440 464 E N 0.817 120.977 120.200 -0.068 0.000 2.107 464 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 464 E C 1.984 178.606 176.600 0.036 0.000 0.982 464 E CA 0.734 57.141 56.400 0.011 0.000 0.809 464 E CB -0.205 29.491 29.700 -0.007 0.000 0.756 464 E HN 0.156 nan 8.360 nan 0.000 0.459 465 L N 1.153 122.366 121.223 -0.016 0.000 2.093 465 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 465 L C 2.155 179.062 176.870 0.061 0.000 1.085 465 L CA 1.551 56.402 54.840 0.017 0.000 0.755 465 L CB -0.540 41.494 42.059 -0.041 0.000 0.904 465 L HN -0.107 nan 8.230 nan 0.000 0.435 466 S N -0.405 115.296 115.700 0.002 0.000 2.368 466 S HA -0.168 4.302 4.470 -0.001 0.000 0.225 466 S C 1.836 176.569 174.600 0.222 0.000 1.030 466 S CA 1.542 59.776 58.200 0.056 0.000 0.999 466 S CB -0.557 62.574 63.200 -0.116 0.000 0.844 466 S HN 0.486 nan 8.310 nan 0.000 0.459 467 L N 0.670 122.068 121.223 0.292 0.000 2.042 467 L HA -0.015 4.324 4.340 -0.001 0.000 0.210 467 L C 1.855 178.819 176.870 0.157 0.000 1.076 467 L CA 1.655 56.663 54.840 0.280 0.000 0.749 467 L CB -0.612 41.581 42.059 0.222 0.000 0.893 467 L HN 0.284 nan 8.230 nan 0.000 0.432 468 F N -0.178 119.729 119.950 -0.071 0.000 2.451 468 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 468 F C 2.170 177.877 175.800 -0.156 0.000 1.101 468 F CA 0.867 58.710 58.000 -0.262 0.000 1.436 468 F CB -0.264 38.621 39.000 -0.192 0.000 1.074 468 F HN 0.257 nan 8.300 nan 0.000 0.553 469 Q N -0.395 119.350 119.800 -0.091 0.000 2.488 469 Q HA -0.142 4.197 4.340 -0.001 0.000 0.211 469 Q C 0.521 176.446 176.000 -0.125 0.000 0.967 469 Q CA 0.446 56.176 55.803 -0.122 0.000 0.926 469 Q CB -1.304 27.438 28.738 0.006 0.000 0.992 469 Q HN 0.491 nan 8.270 nan 0.000 0.506 470 H N 1.931 120.871 119.070 -0.215 0.000 3.073 470 H HA -0.112 4.443 4.556 -0.001 0.000 0.340 470 H C 1.230 176.377 175.328 -0.301 0.000 1.054 470 H CA 0.664 56.579 56.048 -0.221 0.000 1.372 470 H CB 0.551 30.202 29.762 -0.186 0.000 1.314 470 H HN 0.236 nan 8.280 nan 0.000 0.603 471 H N 2.068 120.719 119.070 -0.698 0.000 2.562 471 H HA 0.006 4.561 4.556 -0.001 0.000 0.272 471 H C -0.339 174.551 175.328 -0.729 0.000 1.019 471 H CA 0.631 56.231 56.048 -0.747 0.000 1.160 471 H CB 0.262 29.570 29.762 -0.758 0.000 1.334 471 H HN 0.591 nan 8.280 nan 0.000 0.611 472 D N 0.208 119.898 120.400 -1.182 0.000 2.503 472 D HA 0.130 4.769 4.640 -0.001 0.000 0.218 472 D C 1.615 177.889 176.300 -0.042 0.000 1.183 472 D CA 0.291 54.127 54.000 -0.274 0.000 0.827 472 D CB 0.872 41.730 40.800 0.097 0.000 1.034 472 D HN 0.520 nan 8.370 nan 0.000 0.510 473 G N 1.206 109.766 108.800 -0.400 0.000 2.549 473 G HA2 0.005 3.964 3.960 -0.001 0.000 0.219 473 G HA3 0.005 3.964 3.960 -0.001 0.000 0.219 473 G C 1.342 175.700 174.900 -0.902 0.000 1.677 473 G CA -0.203 44.453 45.100 -0.739 0.000 0.929 473 G HN 0.196 nan 8.290 nan 0.000 0.549 474 I N 2.025 121.723 120.570 -1.453 0.000 2.423 474 I HA -0.198 3.971 4.170 -0.001 0.000 0.254 474 I C 2.875 178.890 176.117 -0.170 0.000 1.151 474 I CA 2.077 62.815 61.300 -0.936 0.000 1.421 474 I CB -0.075 37.541 38.000 -0.640 0.000 1.079 474 I HN 0.389 nan 8.210 nan 0.000 0.431 475 T N -1.597 112.907 114.554 -0.083 0.000 3.007 475 T HA 0.006 4.356 4.350 -0.001 0.000 0.270 475 T C 1.532 176.384 174.700 0.253 0.000 1.107 475 T CA 0.647 62.899 62.100 0.253 0.000 1.118 475 T CB -0.582 68.425 68.868 0.232 0.000 0.889 475 T HN 0.645 nan 8.240 nan 0.000 0.506 476 G N 1.487 110.386 108.800 0.166 0.000 2.198 476 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.257 476 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.257 476 G C 0.545 175.519 174.900 0.124 0.000 1.042 476 G CA 0.654 45.875 45.100 0.201 0.000 0.791 476 G HN 1.149 nan 8.290 nan 0.000 0.502 477 T N -3.481 111.138 114.554 0.108 0.000 3.215 477 T HA 0.737 5.087 4.350 -0.001 0.000 0.271 477 T C 0.904 175.790 174.700 0.310 0.000 1.012 477 T CA 1.034 63.121 62.100 -0.021 0.000 0.899 477 T CB 0.963 69.639 68.868 -0.319 0.000 1.089 477 T HN 1.554 nan 8.240 nan 0.000 0.552 478 A N 1.333 124.363 122.820 0.351 0.000 2.256 478 A HA 0.691 5.011 4.320 -0.001 0.000 0.318 478 A C 0.229 177.920 177.584 0.179 0.000 1.103 478 A CA -0.933 51.354 52.037 0.416 0.000 0.860 478 A CB 0.853 20.126 19.000 0.456 0.000 1.182 478 A HN 0.391 nan 8.150 nan 0.000 0.501 479 K N -0.293 120.141 120.400 0.058 0.000 2.230 479 K HA 0.168 4.487 4.320 -0.001 0.000 0.253 479 K C 1.132 177.741 176.600 0.015 0.000 1.008 479 K CA 0.288 56.586 56.287 0.019 0.000 0.910 479 K CB 0.342 32.846 32.500 0.008 0.000 0.994 479 K HN 0.733 nan 8.250 nan 0.000 0.495 480 T N 1.333 115.923 114.554 0.060 0.000 2.624 480 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 480 T C 1.669 176.396 174.700 0.044 0.000 1.041 480 T CA 1.923 64.061 62.100 0.062 0.000 1.159 480 T CB -0.454 68.461 68.868 0.079 0.000 0.863 480 T HN 0.691 nan 8.240 nan 0.000 0.434 481 H N 0.531 119.591 119.070 -0.016 0.000 2.524 481 H HA 0.112 4.667 4.556 -0.001 0.000 0.282 481 H C 1.976 177.271 175.328 -0.055 0.000 1.016 481 H CA 0.788 56.819 56.048 -0.029 0.000 1.270 481 H CB -0.720 29.021 29.762 -0.034 0.000 1.394 481 H HN 0.285 nan 8.280 nan 0.000 0.568 482 V N 0.966 120.517 119.914 -0.605 0.000 2.535 482 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 482 V C 2.963 178.846 176.094 -0.352 0.000 1.045 482 V CA 0.972 62.937 62.300 -0.559 0.000 1.058 482 V CB -0.300 31.257 31.823 -0.444 0.000 0.689 482 V HN 0.229 nan 8.190 nan 0.000 0.461 483 V N 0.010 119.856 119.914 -0.113 0.000 2.343 483 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 483 V C 2.456 178.511 176.094 -0.066 0.000 1.051 483 V CA 1.898 64.191 62.300 -0.011 0.000 1.036 483 V CB -0.431 31.357 31.823 -0.058 0.000 0.654 483 V HN 0.412 nan 8.190 nan 0.000 0.451 484 V N 0.383 120.269 119.914 -0.047 0.000 2.343 484 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 484 V C 2.316 178.412 176.094 0.003 0.000 1.051 484 V CA 2.427 64.733 62.300 0.010 0.000 1.036 484 V CB -0.675 31.167 31.823 0.032 0.000 0.654 484 V HN 0.643 nan 8.190 nan 0.000 0.451 485 D N -0.960 119.395 120.400 -0.074 0.000 2.117 485 D HA -0.209 4.430 4.640 -0.001 0.000 0.197 485 D C 2.005 178.306 176.300 0.002 0.000 0.987 485 D CA 1.687 55.644 54.000 -0.071 0.000 0.829 485 D CB -0.253 40.443 40.800 -0.173 0.000 0.961 485 D HN 0.599 nan 8.370 nan 0.000 0.460 486 Y N 0.385 120.707 120.300 0.036 0.000 2.181 486 Y HA -0.131 4.419 4.550 -0.001 0.000 0.288 486 Y C 2.576 178.427 175.900 -0.083 0.000 1.146 486 Y CA 1.103 59.214 58.100 0.018 0.000 1.164 486 Y CB -0.128 38.398 38.460 0.109 0.000 0.982 486 Y HN 0.081 nan 8.280 nan 0.000 0.515 487 E N 0.523 120.803 120.200 0.133 0.000 2.077 487 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 487 E C 1.982 178.646 176.600 0.106 0.000 0.989 487 E CA 1.427 57.923 56.400 0.161 0.000 0.800 487 E CB -0.044 29.837 29.700 0.302 0.000 0.746 487 E HN 0.570 nan 8.360 nan 0.000 0.452 488 Q N -0.120 119.732 119.800 0.087 0.000 2.084 488 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 488 Q C 2.321 178.349 176.000 0.047 0.000 0.978 488 Q CA 1.305 57.146 55.803 0.063 0.000 0.844 488 Q CB -0.088 28.681 28.738 0.051 0.000 0.898 488 Q HN 0.207 nan 8.270 nan 0.000 0.426 489 R N 0.161 120.693 120.500 0.053 0.000 2.081 489 R HA -0.042 4.298 4.340 -0.001 0.000 0.235 489 R C 2.267 178.570 176.300 0.005 0.000 1.131 489 R CA 1.363 57.487 56.100 0.040 0.000 0.960 489 R CB -0.170 30.177 30.300 0.078 0.000 0.856 489 R HN 0.281 nan 8.270 nan 0.000 0.436 490 M N 0.097 119.683 119.600 -0.022 0.000 2.229 490 M HA -0.161 4.318 4.480 -0.001 0.000 0.264 490 M C 2.300 178.560 176.300 -0.066 0.000 1.063 490 M CA 1.344 56.590 55.300 -0.089 0.000 1.114 490 M CB -0.110 32.370 32.600 -0.200 0.000 1.387 490 M HN 0.049 nan 8.290 nan 0.000 0.420 491 Q N 0.955 120.752 119.800 -0.005 0.000 2.084 491 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 491 Q C 1.736 177.736 176.000 -0.001 0.000 0.978 491 Q CA 1.595 57.409 55.803 0.019 0.000 0.844 491 Q CB -0.051 28.724 28.738 0.062 0.000 0.898 491 Q HN 0.333 nan 8.270 nan 0.000 0.426 492 E N -0.082 120.118 120.200 0.001 0.000 2.110 492 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 492 E C 1.828 178.418 176.600 -0.018 0.000 0.988 492 E CA 1.205 57.604 56.400 -0.002 0.000 0.804 492 E CB -0.454 29.248 29.700 0.002 0.000 0.745 492 E HN 0.481 nan 8.360 nan 0.000 0.458 493 A N 1.128 123.926 122.820 -0.036 0.000 1.898 493 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 493 A C 2.408 179.960 177.584 -0.053 0.000 1.181 493 A CA 0.936 52.943 52.037 -0.051 0.000 0.620 493 A CB -0.677 18.280 19.000 -0.071 0.000 0.819 493 A HN 0.166 nan 8.150 nan 0.000 0.442 494 L N -0.533 120.636 121.223 -0.090 0.000 2.012 494 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 494 L C 2.614 179.493 176.870 0.016 0.000 1.073 494 L CA 1.821 56.590 54.840 -0.118 0.000 0.748 494 L CB -0.451 41.473 42.059 -0.226 0.000 0.891 494 L HN 0.360 nan 8.230 nan 0.000 0.431 495 K N -0.100 120.307 120.400 0.013 0.000 2.063 495 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 495 K C 2.211 178.832 176.600 0.033 0.000 1.048 495 K CA 1.422 57.730 56.287 0.035 0.000 0.928 495 K CB -0.291 32.220 32.500 0.019 0.000 0.713 495 K HN 0.312 nan 8.250 nan 0.000 0.442 496 A N 1.176 124.003 122.820 0.011 0.000 1.877 496 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 496 A C 2.471 180.060 177.584 0.008 0.000 1.186 496 A CA 1.512 53.547 52.037 -0.004 0.000 0.620 496 A CB -1.002 17.983 19.000 -0.026 0.000 0.822 496 A HN 0.408 nan 8.150 nan 0.000 0.443 497 C N -1.012 118.311 119.300 0.039 0.000 2.413 497 C HA -0.156 4.304 4.460 -0.001 0.000 0.276 497 C C 2.879 177.929 174.990 0.099 0.000 1.236 497 C CA 1.352 60.413 59.018 0.072 0.000 1.735 497 C CB -1.322 26.521 27.740 0.172 0.000 2.031 497 C HN 0.791 nan 8.230 nan 0.000 0.474 498 Q N 0.151 120.045 119.800 0.156 0.000 2.061 498 Q HA -0.299 4.041 4.340 -0.001 0.000 0.204 498 Q C 2.154 178.228 176.000 0.124 0.000 0.984 498 Q CA 2.232 58.127 55.803 0.154 0.000 0.846 498 Q CB -0.286 28.548 28.738 0.160 0.000 0.902 498 Q HN 0.613 nan 8.270 nan 0.000 0.421 499 M N -0.170 119.474 119.600 0.073 0.000 2.080 499 M HA -0.143 4.336 4.480 -0.001 0.000 0.260 499 M C 1.866 178.181 176.300 0.026 0.000 1.068 499 M CA 1.591 56.922 55.300 0.052 0.000 1.109 499 M CB -0.508 32.102 32.600 0.017 0.000 1.342 499 M HN 0.134 nan 8.290 nan 0.000 0.405 500 V N 0.316 120.208 119.914 -0.037 0.000 2.295 500 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 500 V C 2.443 178.490 176.094 -0.078 0.000 1.049 500 V CA 2.304 64.522 62.300 -0.136 0.000 1.024 500 V CB -0.706 31.018 31.823 -0.165 0.000 0.648 500 V HN 0.573 nan 8.190 nan 0.000 0.447 501 M N 0.153 119.761 119.600 0.013 0.000 2.086 501 M HA -0.266 4.213 4.480 -0.001 0.000 0.261 501 M C 2.401 178.726 176.300 0.041 0.000 1.067 501 M CA 2.456 57.791 55.300 0.058 0.000 1.116 501 M CB -0.526 32.200 32.600 0.210 0.000 1.348 501 M HN 0.547 nan 8.290 nan 0.000 0.407 502 Q N -0.076 119.838 119.800 0.190 0.000 2.119 502 Q HA -0.163 4.176 4.340 -0.001 0.000 0.201 502 Q C 1.840 178.005 176.000 0.274 0.000 0.972 502 Q CA 1.278 57.214 55.803 0.221 0.000 0.847 502 Q CB -0.657 28.322 28.738 0.402 0.000 0.903 502 Q HN 0.421 nan 8.270 nan 0.000 0.433 503 Q N 0.532 120.487 119.800 0.259 0.000 2.124 503 Q HA -0.068 4.272 4.340 -0.001 0.000 0.202 503 Q C 2.308 178.540 176.000 0.388 0.000 0.977 503 Q CA 1.711 57.742 55.803 0.379 0.000 0.850 503 Q CB -0.227 28.640 28.738 0.216 0.000 0.901 503 Q HN 0.515 nan 8.270 nan 0.000 0.429 504 S N 0.327 116.137 115.700 0.183 0.000 2.368 504 S HA -0.087 4.383 4.470 -0.001 0.000 0.224 504 S C 2.201 176.837 174.600 0.061 0.000 1.029 504 S CA 1.004 59.362 58.200 0.264 0.000 0.988 504 S CB -0.196 63.089 63.200 0.142 0.000 0.838 504 S HN 0.129 nan 8.310 nan 0.000 0.462 505 V N 0.775 120.590 119.914 -0.164 0.000 2.343 505 V HA -0.186 3.933 4.120 -0.001 0.000 0.247 505 V C 2.000 178.047 176.094 -0.077 0.000 1.051 505 V CA 1.800 63.873 62.300 -0.379 0.000 1.036 505 V CB -0.748 30.434 31.823 -1.068 0.000 0.654 505 V HN 0.537 nan 8.190 nan 0.000 0.451 506 Y N 1.225 121.545 120.300 0.034 0.000 2.165 506 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 506 Y C 2.735 178.687 175.900 0.086 0.000 1.155 506 Y CA 2.226 60.447 58.100 0.202 0.000 1.164 506 Y CB -0.322 38.182 38.460 0.073 0.000 0.978 506 Y HN 0.101 nan 8.280 nan 0.000 0.513 507 R N -0.260 120.141 120.500 -0.165 0.000 2.090 507 R HA -0.078 4.262 4.340 -0.001 0.000 0.228 507 R C 2.115 178.088 176.300 -0.544 0.000 1.110 507 R CA 1.387 57.038 56.100 -0.749 0.000 0.973 507 R CB -0.323 29.540 30.300 -0.728 0.000 0.869 507 R HN 0.435 nan 8.270 nan 0.000 0.440 508 L N 0.298 121.346 121.223 -0.290 0.000 2.291 508 L HA -0.044 4.296 4.340 -0.001 0.000 0.214 508 L C 1.365 178.099 176.870 -0.226 0.000 1.120 508 L CA 0.742 55.372 54.840 -0.350 0.000 0.799 508 L CB 0.157 41.857 42.059 -0.598 0.000 0.925 508 L HN 0.228 nan 8.230 nan 0.000 0.446 509 L N -1.307 119.881 121.223 -0.060 0.000 3.014 509 L HA 0.220 4.560 4.340 -0.001 0.000 0.263 509 L C -0.193 176.720 176.870 0.071 0.000 1.207 509 L CA -0.094 54.797 54.840 0.086 0.000 1.017 509 L CB 0.528 42.798 42.059 0.352 0.000 1.360 509 L HN -0.020 nan 8.230 nan 0.000 0.560 510 T N 0.255 114.771 114.554 -0.063 0.000 2.807 510 T HA 0.178 4.528 4.350 -0.001 0.000 0.279 510 T C -0.134 174.481 174.700 -0.142 0.000 0.993 510 T CA -0.560 61.488 62.100 -0.087 0.000 0.970 510 T CB 2.293 71.052 68.868 -0.181 0.000 0.950 510 T HN 0.032 nan 8.240 nan 0.000 0.441 511 K N 4.159 124.491 120.400 -0.114 0.000 2.504 511 K HA -0.036 4.284 4.320 -0.001 0.000 0.278 511 K C -1.721 174.842 176.600 -0.061 0.000 1.025 511 K CA -0.888 55.347 56.287 -0.087 0.000 1.093 511 K CB 0.409 32.864 32.500 -0.074 0.000 0.873 511 K HN 0.172 nan 8.250 nan 0.000 0.483 512 P HA -0.218 nan 4.420 nan 0.000 0.216 512 P C 0.750 178.062 177.300 0.020 0.000 1.150 512 P CA 1.594 64.669 63.100 -0.042 0.000 0.843 512 P CB 0.133 31.802 31.700 -0.053 0.000 0.787 513 S N -2.279 113.423 115.700 0.004 0.000 2.607 513 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 513 S C 1.662 176.272 174.600 0.018 0.000 0.969 513 S CA 0.519 58.725 58.200 0.011 0.000 0.927 513 S CB -1.070 62.128 63.200 -0.003 0.000 0.772 513 S HN 0.116 nan 8.310 nan 0.000 0.533 514 I N -0.882 119.705 120.570 0.030 0.000 3.616 514 I HA 0.205 4.375 4.170 -0.001 0.000 0.296 514 I C 0.501 176.662 176.117 0.073 0.000 1.226 514 I CA -0.406 60.916 61.300 0.038 0.000 1.394 514 I CB -0.028 37.989 38.000 0.027 0.000 1.171 514 I HN 0.252 nan 8.210 nan 0.000 0.442 515 Y N 2.943 123.193 120.300 -0.084 0.000 2.852 515 Y HA -0.083 4.467 4.550 -0.001 0.000 0.343 515 Y C 0.448 176.324 175.900 -0.040 0.000 1.280 515 Y CA 0.127 58.150 58.100 -0.129 0.000 1.604 515 Y CB 0.314 38.643 38.460 -0.218 0.000 1.216 515 Y HN -0.116 nan 8.280 nan 0.000 0.541 516 S N 8.930 124.419 115.700 -0.353 0.000 2.216 516 S HA 0.349 4.819 4.470 -0.001 0.000 0.156 516 S C -2.807 171.583 174.600 -0.351 0.000 1.665 516 S CA -1.237 56.761 58.200 -0.337 0.000 1.262 516 S CB -0.040 63.087 63.200 -0.122 0.000 1.207 516 S HN 0.663 nan 8.310 nan 0.000 0.427 517 P HA 0.299 nan 4.420 nan 0.000 0.276 517 P C -1.154 175.889 177.300 -0.429 0.000 1.230 517 P CA -0.145 62.708 63.100 -0.411 0.000 0.776 517 P CB 0.874 32.275 31.700 -0.497 0.000 0.888 518 D N 2.582 122.923 120.400 -0.098 0.000 2.441 518 D HA 0.151 4.791 4.640 -0.001 0.000 0.231 518 D C 0.288 176.610 176.300 0.036 0.000 1.073 518 D CA -0.731 53.188 54.000 -0.136 0.000 0.850 518 D CB 0.190 40.931 40.800 -0.097 0.000 1.062 518 D HN 0.046 nan 8.370 nan 0.000 0.524 519 F N 1.654 121.715 119.950 0.185 0.000 2.641 519 F HA -0.048 4.479 4.527 -0.001 0.000 0.298 519 F C 2.374 178.249 175.800 0.126 0.000 1.146 519 F CA 0.564 58.676 58.000 0.187 0.000 1.464 519 F CB -0.446 38.646 39.000 0.153 0.000 1.101 519 F HN 0.369 nan 8.300 nan 0.000 0.585 520 S N -1.968 113.873 115.700 0.234 0.000 2.524 520 S HA 0.129 4.598 4.470 -0.001 0.000 0.215 520 S C 0.327 174.967 174.600 0.067 0.000 0.986 520 S CA -0.419 57.861 58.200 0.133 0.000 0.911 520 S CB -0.650 62.607 63.200 0.095 0.000 0.805 520 S HN 0.088 nan 8.310 nan 0.000 0.501 521 F N 3.056 122.937 119.950 -0.115 0.000 2.389 521 F HA 0.560 5.086 4.527 -0.001 0.000 0.337 521 F C 0.025 175.592 175.800 -0.389 0.000 1.112 521 F CA -0.513 57.288 58.000 -0.333 0.000 1.192 521 F CB 1.398 40.040 39.000 -0.597 0.000 1.185 521 F HN -0.042 nan 8.300 nan 0.000 0.552 522 S N 6.040 121.023 115.700 -1.196 0.000 2.466 522 S HA 0.163 4.632 4.470 -0.001 0.000 0.313 522 S C 0.355 174.418 174.600 -0.895 0.000 1.078 522 S CA -0.357 57.399 58.200 -0.740 0.000 1.115 522 S CB -0.129 62.745 63.200 -0.544 0.000 1.006 522 S HN 0.672 nan 8.310 nan 0.000 0.487 523 Y N 1.587 121.699 120.300 -0.314 0.000 2.314 523 Y HA 0.143 4.693 4.550 -0.001 0.000 0.293 523 Y C 0.328 175.690 175.900 -0.896 0.000 1.129 523 Y CA 0.788 58.559 58.100 -0.549 0.000 1.201 523 Y CB 0.176 38.353 38.460 -0.471 0.000 0.999 523 Y HN 0.491 nan 8.280 nan 0.000 0.541 524 F N -1.902 118.000 119.950 -0.080 0.000 2.599 524 F HA 0.437 4.963 4.527 -0.001 0.000 0.311 524 F C -0.204 175.627 175.800 0.052 0.000 1.076 524 F CA -1.335 56.677 58.000 0.020 0.000 0.937 524 F CB 1.662 40.809 39.000 0.246 0.000 1.282 524 F HN -0.523 nan 8.300 nan 0.000 0.460 525 T N 3.063 117.781 114.554 0.272 0.000 2.794 525 T HA 0.526 4.875 4.350 -0.001 0.000 0.280 525 T C -0.263 174.550 174.700 0.188 0.000 0.987 525 T CA -0.553 61.645 62.100 0.163 0.000 0.993 525 T CB 0.953 69.873 68.868 0.086 0.000 0.939 525 T HN 0.324 nan 8.240 nan 0.000 0.449 526 L N 2.778 124.048 121.223 0.078 0.000 2.397 526 L HA 0.351 4.691 4.340 -0.001 0.000 0.271 526 L C 0.208 177.057 176.870 -0.035 0.000 1.148 526 L CA -0.214 54.559 54.840 -0.112 0.000 0.825 526 L CB 0.669 42.635 42.059 -0.156 0.000 1.117 526 L HN 0.660 nan 8.230 nan 0.000 0.456 527 D N 1.733 122.085 120.400 -0.080 0.000 2.481 527 D HA 0.194 4.833 4.640 -0.001 0.000 0.246 527 D C -1.216 174.997 176.300 -0.144 0.000 1.109 527 D CA -0.408 53.549 54.000 -0.072 0.000 0.845 527 D CB 1.097 41.880 40.800 -0.028 0.000 1.160 527 D HN 0.270 nan 8.370 nan 0.000 0.534 528 D N 2.478 122.824 120.400 -0.090 0.000 2.425 528 D HA 0.196 4.835 4.640 -0.001 0.000 0.240 528 D C 0.134 176.376 176.300 -0.096 0.000 1.080 528 D CA -0.450 53.522 54.000 -0.047 0.000 0.836 528 D CB 1.921 42.804 40.800 0.139 0.000 1.125 528 D HN 0.262 nan 8.370 nan 0.000 0.525 529 S N 2.704 118.321 115.700 -0.138 0.000 2.489 529 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 529 S C 1.371 175.931 174.600 -0.065 0.000 0.995 529 S CA 0.557 58.671 58.200 -0.143 0.000 0.934 529 S CB 0.357 63.463 63.200 -0.158 0.000 0.771 529 S HN 0.494 nan 8.310 nan 0.000 0.522 530 R N -0.574 119.920 120.500 -0.010 0.000 2.508 530 R HA 0.224 4.564 4.340 -0.001 0.000 0.300 530 R C -0.643 175.727 176.300 0.118 0.000 0.970 530 R CA -0.110 56.009 56.100 0.031 0.000 1.102 530 R CB 0.730 31.048 30.300 0.030 0.000 1.246 530 R HN 0.329 nan 8.270 nan 0.000 0.539 531 W N 1.217 122.474 121.300 -0.071 0.000 3.211 531 W HA 0.285 4.945 4.660 -0.001 0.000 0.335 531 W C -2.933 173.545 176.519 -0.068 0.000 1.113 531 W CA -1.990 55.300 57.345 -0.092 0.000 1.235 531 W CB 1.826 31.216 29.460 -0.117 0.000 1.365 531 W HN -0.183 nan 8.180 nan 0.000 0.476 532 P HA 0.091 nan 4.420 nan 0.000 0.223 532 P C 0.342 177.239 177.300 -0.671 0.000 1.151 532 P CA 1.765 63.977 63.100 -1.480 0.000 0.787 532 P CB 0.320 31.418 31.700 -1.004 0.000 0.788 533 G N -1.052 107.546 108.800 -0.337 0.000 2.617 533 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.686 533 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.686 533 G C -0.456 174.379 174.900 -0.110 0.000 1.214 533 G CA -0.483 44.518 45.100 -0.165 0.000 0.796 533 G HN 0.098 nan 8.290 nan 0.000 0.654 534 S N 0.182 115.860 115.700 -0.036 0.000 2.537 534 S HA 0.520 4.990 4.470 -0.001 0.000 0.286 534 S C 1.845 176.441 174.600 -0.006 0.000 1.299 534 S CA 2.005 60.217 58.200 0.020 0.000 1.067 534 S CB 0.272 63.524 63.200 0.086 0.000 0.864 534 S HN 2.723 nan 8.310 nan 0.000 0.494 535 G N 2.814 111.609 108.800 -0.008 0.000 2.199 535 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.254 535 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.254 535 G C 0.598 175.464 174.900 -0.057 0.000 0.982 535 G CA 0.331 45.413 45.100 -0.030 0.000 0.632 535 G HN 0.897 nan 8.290 nan 0.000 0.529 536 V N -0.228 119.635 119.914 -0.084 0.000 2.743 536 V HA 0.450 4.569 4.120 -0.001 0.000 0.237 536 V C 0.767 176.793 176.094 -0.113 0.000 1.113 536 V CA 1.795 64.027 62.300 -0.112 0.000 1.141 536 V CB 0.961 32.676 31.823 -0.180 0.000 0.873 536 V HN 0.538 nan 8.190 nan 0.000 0.486 537 E N 0.166 120.292 120.200 -0.123 0.000 2.321 537 E HA 0.175 4.524 4.350 -0.001 0.000 0.281 537 E C -1.763 174.801 176.600 -0.060 0.000 0.910 537 E CA -0.540 55.801 56.400 -0.098 0.000 0.770 537 E CB 1.805 31.419 29.700 -0.143 0.000 1.225 537 E HN 0.151 nan 8.360 nan 0.000 0.417 538 D N 2.940 123.328 120.400 -0.020 0.000 2.483 538 D HA 0.090 4.730 4.640 -0.001 0.000 0.220 538 D C 0.315 176.620 176.300 0.009 0.000 1.173 538 D CA 0.216 54.228 54.000 0.019 0.000 0.964 538 D CB 0.600 41.421 40.800 0.035 0.000 1.046 538 D HN 0.416 nan 8.370 nan 0.000 0.517 539 S N 2.474 118.168 115.700 -0.010 0.000 2.559 539 S HA 0.189 4.658 4.470 -0.001 0.000 0.226 539 S C 0.905 175.500 174.600 -0.009 0.000 1.030 539 S CA -0.459 57.731 58.200 -0.016 0.000 0.956 539 S CB 0.529 63.703 63.200 -0.044 0.000 0.900 539 S HN 0.223 nan 8.310 nan 0.000 0.510 540 R N 2.954 123.440 120.500 -0.024 0.000 2.491 540 R HA 0.339 4.678 4.340 -0.001 0.000 0.283 540 R C 0.219 176.536 176.300 0.030 0.000 1.072 540 R CA 0.406 56.465 56.100 -0.068 0.000 1.048 540 R CB 0.517 30.636 30.300 -0.302 0.000 0.983 540 R HN 0.500 nan 8.270 nan 0.000 0.450 541 T N -0.676 113.902 114.554 0.041 0.000 2.909 541 T HA 0.185 4.535 4.350 -0.001 0.000 0.289 541 T C 0.287 175.083 174.700 0.160 0.000 1.005 541 T CA -0.693 61.462 62.100 0.091 0.000 1.084 541 T CB 1.463 70.377 68.868 0.076 0.000 0.975 541 T HN 0.338 nan 8.240 nan 0.000 0.509 542 T N 3.454 118.115 114.554 0.179 0.000 2.806 542 T HA 0.409 4.758 4.350 -0.001 0.000 0.290 542 T C 0.396 175.204 174.700 0.179 0.000 0.966 542 T CA -0.518 61.716 62.100 0.224 0.000 1.060 542 T CB 0.231 69.196 68.868 0.162 0.000 0.927 542 T HN 0.571 nan 8.240 nan 0.000 0.485 543 I N 4.164 124.860 120.570 0.210 0.000 2.379 543 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 543 I C 0.164 176.370 176.117 0.149 0.000 1.063 543 I CA -0.134 61.268 61.300 0.170 0.000 1.351 543 I CB 0.330 38.435 38.000 0.175 0.000 1.410 543 I HN 0.441 nan 8.210 nan 0.000 0.505 544 I N 8.069 128.712 120.570 0.121 0.000 2.297 544 I HA 0.314 4.484 4.170 -0.001 0.000 0.291 544 I C -0.184 175.996 176.117 0.106 0.000 1.033 544 I CA -0.214 61.150 61.300 0.106 0.000 1.253 544 I CB 0.467 38.517 38.000 0.083 0.000 1.396 544 I HN 0.384 nan 8.210 nan 0.000 0.476 545 L N 5.772 127.063 121.223 0.113 0.000 2.333 545 L HA 0.957 5.296 4.340 -0.001 0.000 0.269 545 L C 0.160 177.090 176.870 0.101 0.000 1.010 545 L CA -0.681 54.225 54.840 0.109 0.000 0.818 545 L CB 2.187 44.318 42.059 0.119 0.000 1.306 545 L HN 0.695 nan 8.230 nan 0.000 0.430 546 G N 0.215 109.071 108.800 0.092 0.000 2.473 546 G HA2 0.222 4.181 3.960 -0.001 0.000 0.298 546 G HA3 0.222 4.181 3.960 -0.001 0.000 0.298 546 G C -0.324 174.620 174.900 0.073 0.000 1.575 546 G CA -0.535 44.616 45.100 0.084 0.000 0.846 546 G HN 0.686 nan 8.290 nan 0.000 0.585 547 E N 0.317 120.557 120.200 0.066 0.000 2.160 547 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 547 E C 0.799 177.427 176.600 0.048 0.000 0.991 547 E CA 1.235 57.668 56.400 0.054 0.000 0.810 547 E CB 0.303 30.030 29.700 0.045 0.000 0.742 547 E HN 0.453 nan 8.360 nan 0.000 0.466 548 D N -0.401 120.027 120.400 0.048 0.000 2.328 548 D HA 0.082 4.721 4.640 -0.001 0.000 0.221 548 D C 1.099 177.425 176.300 0.044 0.000 1.072 548 D CA 0.306 54.331 54.000 0.042 0.000 0.850 548 D CB 0.727 41.549 40.800 0.037 0.000 0.922 548 D HN 0.175 nan 8.370 nan 0.000 0.516 549 I N -0.833 119.768 120.570 0.052 0.000 4.317 549 I HA 0.195 4.364 4.170 -0.001 0.000 0.289 549 I C -1.380 174.775 176.117 0.064 0.000 1.164 549 I CA 0.156 61.489 61.300 0.054 0.000 1.312 549 I CB 1.166 39.199 38.000 0.055 0.000 1.569 549 I HN -0.164 nan 8.210 nan 0.000 0.450 550 L N 2.002 123.269 121.223 0.073 0.000 2.795 550 L HA 0.528 4.867 4.340 -0.001 0.000 0.260 550 L C -2.539 174.385 176.870 0.090 0.000 0.935 550 L CA -0.771 54.120 54.840 0.085 0.000 0.985 550 L CB 1.802 43.918 42.059 0.096 0.000 1.433 550 L HN -0.115 nan 8.230 nan 0.000 0.447 551 P HA 0.102 nan 4.420 nan 0.000 0.230 551 P C -0.191 177.166 177.300 0.095 0.000 1.168 551 P CA 0.688 63.839 63.100 0.086 0.000 0.793 551 P CB 0.518 32.261 31.700 0.072 0.000 0.851 552 S N -1.780 113.988 115.700 0.114 0.000 2.656 552 S HA 0.741 5.210 4.470 -0.001 0.000 0.273 552 S C -1.260 173.445 174.600 0.175 0.000 1.168 552 S CA -0.680 57.593 58.200 0.121 0.000 0.817 552 S CB 2.503 65.764 63.200 0.102 0.000 1.146 552 S HN -0.101 nan 8.310 nan 0.000 0.475 553 K N 0.344 120.856 120.400 0.186 0.000 2.550 553 K HA 0.557 4.876 4.320 -0.001 0.000 0.252 553 K C -2.145 174.633 176.600 0.297 0.000 0.943 553 K CA -0.205 56.241 56.287 0.266 0.000 0.806 553 K CB 0.985 33.599 32.500 0.191 0.000 1.289 553 K HN 0.846 nan 8.250 nan 0.000 0.435 554 H N 0.813 120.040 119.070 0.262 0.000 2.525 554 H HA 0.523 5.078 4.556 -0.001 0.000 0.339 554 H C -0.282 175.284 175.328 0.397 0.000 1.109 554 H CA -0.053 56.197 56.048 0.336 0.000 1.352 554 H CB 1.149 31.204 29.762 0.488 0.000 1.461 554 H HN 0.407 nan 8.280 nan 0.000 0.533 555 V N 0.891 121.078 119.914 0.456 0.000 2.962 555 V HA 0.781 4.901 4.120 -0.001 0.000 0.313 555 V C -0.749 175.693 176.094 0.580 0.000 1.099 555 V CA -0.885 61.671 62.300 0.427 0.000 0.971 555 V CB 2.067 33.882 31.823 -0.014 0.000 1.028 555 V HN 0.467 nan 8.190 nan 0.000 0.430 556 V N 3.493 123.773 119.914 0.610 0.000 2.760 556 V HA 0.640 4.760 4.120 -0.001 0.000 0.309 556 V C -0.522 175.928 176.094 0.594 0.000 1.077 556 V CA -0.371 62.254 62.300 0.541 0.000 0.910 556 V CB 1.927 33.929 31.823 0.298 0.000 1.008 556 V HN 0.940 nan 8.190 nan 0.000 0.424 557 M N 4.014 123.931 119.600 0.528 0.000 2.404 557 M HA 0.505 4.985 4.480 -0.001 0.000 0.338 557 M C -0.524 176.040 176.300 0.439 0.000 1.150 557 M CA -0.263 55.313 55.300 0.460 0.000 1.016 557 M CB 1.254 34.069 32.600 0.359 0.000 1.672 557 M HN 0.778 nan 8.290 nan 0.000 0.448 558 H N 1.853 121.123 119.070 0.334 0.000 2.524 558 H HA 0.510 5.066 4.556 -0.001 0.000 0.353 558 H C -1.421 174.019 175.328 0.187 0.000 1.136 558 H CA -0.631 55.579 56.048 0.270 0.000 1.193 558 H CB 1.279 31.258 29.762 0.361 0.000 1.558 558 H HN 0.658 nan 8.280 nan 0.000 0.515 559 N N 3.022 121.490 118.700 -0.386 0.000 2.569 559 N HA 0.041 4.781 4.740 -0.001 0.000 0.254 559 N C 0.240 175.417 175.510 -0.556 0.000 1.004 559 N CA -0.317 52.518 53.050 -0.359 0.000 0.904 559 N CB 1.616 39.999 38.487 -0.174 0.000 1.165 559 N HN 0.640 nan 8.380 nan 0.000 0.513 560 T N 2.901 117.169 114.554 -0.476 0.000 3.072 560 T HA 0.166 4.515 4.350 -0.001 0.000 0.266 560 T C 0.673 175.340 174.700 -0.056 0.000 1.127 560 T CA 0.436 62.425 62.100 -0.186 0.000 1.107 560 T CB -0.243 68.666 68.868 0.069 0.000 0.910 560 T HN 0.418 nan 8.240 nan 0.000 0.513 561 L N 2.884 124.023 121.223 -0.139 0.000 2.397 561 L HA 0.304 4.643 4.340 -0.001 0.000 0.271 561 L C -1.577 175.173 176.870 -0.200 0.000 1.148 561 L CA -1.869 52.859 54.840 -0.186 0.000 0.825 561 L CB 0.734 42.541 42.059 -0.420 0.000 1.117 561 L HN -0.027 nan 8.230 nan 0.000 0.456 562 P HA 0.041 nan 4.420 nan 0.000 0.243 562 P C -0.932 176.417 177.300 0.082 0.000 1.668 562 P CA 0.355 63.467 63.100 0.020 0.000 0.898 562 P CB -0.348 31.413 31.700 0.101 0.000 1.637 563 H N -3.293 115.798 119.070 0.035 0.000 3.012 563 H HA 0.228 4.784 4.556 -0.001 0.000 0.367 563 H C -1.027 174.335 175.328 0.057 0.000 1.211 563 H CA -1.050 55.043 56.048 0.074 0.000 1.139 563 H CB -0.068 29.769 29.762 0.125 0.000 1.838 563 H HN -0.122 nan 8.280 nan 0.000 0.550 564 W N 1.783 123.204 121.300 0.202 0.000 2.231 564 W HA 0.223 4.882 4.660 -0.001 0.000 0.341 564 W C 0.908 177.535 176.519 0.179 0.000 1.298 564 W CA 0.518 57.942 57.345 0.132 0.000 1.266 564 W CB 0.485 30.012 29.460 0.112 0.000 1.172 564 W HN 0.550 nan 8.180 nan 0.000 0.568 565 R N 2.189 122.899 120.500 0.350 0.000 2.604 565 R HA 0.315 4.654 4.340 -0.001 0.000 0.281 565 R C -1.190 175.246 176.300 0.227 0.000 1.020 565 R CA -0.661 55.595 56.100 0.260 0.000 0.899 565 R CB 1.466 31.836 30.300 0.118 0.000 1.205 565 R HN 0.504 nan 8.270 nan 0.000 0.450 566 E N 2.392 122.702 120.200 0.184 0.000 2.195 566 E HA 0.270 4.619 4.350 -0.001 0.000 0.271 566 E C -1.356 175.296 176.600 0.086 0.000 0.923 566 E CA -0.812 55.675 56.400 0.144 0.000 0.790 566 E CB 2.468 32.246 29.700 0.131 0.000 1.155 566 E HN 0.424 nan 8.360 nan 0.000 0.402 567 Q N 3.077 122.905 119.800 0.047 0.000 2.386 567 Q HA 0.262 4.601 4.340 -0.001 0.000 0.274 567 Q C -1.595 174.370 176.000 -0.058 0.000 1.011 567 Q CA -0.595 55.207 55.803 -0.002 0.000 0.867 567 Q CB 1.440 30.166 28.738 -0.020 0.000 1.409 567 Q HN 0.548 nan 8.270 nan 0.000 0.395 568 L N 3.058 124.241 121.223 -0.068 0.000 2.426 568 L HA 0.440 4.779 4.340 -0.001 0.000 0.271 568 L C 0.163 176.901 176.870 -0.220 0.000 1.169 568 L CA -0.468 54.296 54.840 -0.127 0.000 0.836 568 L CB 0.888 42.907 42.059 -0.066 0.000 1.112 568 L HN 0.506 nan 8.230 nan 0.000 0.465 569 V N -0.749 118.926 119.914 -0.397 0.000 2.823 569 V HA 0.684 4.804 4.120 -0.001 0.000 0.312 569 V C -0.938 174.875 176.094 -0.468 0.000 1.072 569 V CA -0.861 61.158 62.300 -0.467 0.000 0.937 569 V CB 2.121 33.614 31.823 -0.551 0.000 1.013 569 V HN 0.796 nan 8.190 nan 0.000 0.430 570 D N 1.574 121.698 120.400 -0.460 0.000 2.527 570 D HA 0.657 5.296 4.640 -0.001 0.000 0.233 570 D C -1.362 174.620 176.300 -0.529 0.000 1.063 570 D CA -0.449 53.391 54.000 -0.267 0.000 0.880 570 D CB 2.478 43.229 40.800 -0.081 0.000 1.457 570 D HN 0.445 nan 8.370 nan 0.000 0.475 571 F N -0.342 119.663 119.950 0.092 0.000 2.599 571 F HA 0.328 4.855 4.527 -0.001 0.000 0.311 571 F C -0.603 175.359 175.800 0.270 0.000 1.076 571 F CA -1.054 57.012 58.000 0.110 0.000 0.937 571 F CB 1.529 40.634 39.000 0.176 0.000 1.282 571 F HN 0.147 nan 8.300 nan 0.000 0.460 572 Y N 2.138 122.595 120.300 0.262 0.000 2.304 572 Y HA 0.560 5.109 4.550 -0.001 0.000 0.328 572 Y C 0.197 176.219 175.900 0.204 0.000 1.123 572 Y CA -1.461 56.742 58.100 0.173 0.000 1.218 572 Y CB 0.911 39.426 38.460 0.092 0.000 1.207 572 Y HN 0.344 nan 8.280 nan 0.000 0.495 573 V N -0.362 119.752 119.914 0.335 0.000 2.962 573 V HA 0.542 4.661 4.120 -0.001 0.000 0.313 573 V C 0.367 176.600 176.094 0.232 0.000 1.099 573 V CA -0.790 61.670 62.300 0.267 0.000 0.971 573 V CB 1.693 33.671 31.823 0.259 0.000 1.028 573 V HN 0.673 nan 8.190 nan 0.000 0.430 574 S N 0.369 116.186 115.700 0.194 0.000 2.650 574 S HA 0.245 4.715 4.470 -0.001 0.000 0.219 574 S C 0.647 175.397 174.600 0.249 0.000 0.960 574 S CA 0.489 58.794 58.200 0.176 0.000 0.925 574 S CB -0.337 62.936 63.200 0.122 0.000 0.775 574 S HN 1.527 nan 8.310 nan 0.000 0.525 575 S N 1.219 117.071 115.700 0.254 0.000 2.541 575 S HA 0.544 5.013 4.470 -0.001 0.000 0.271 575 S C -2.622 171.910 174.600 -0.112 0.000 1.133 575 S CA -1.263 56.981 58.200 0.074 0.000 0.876 575 S CB 2.007 65.252 63.200 0.076 0.000 1.105 575 S HN 0.024 nan 8.310 nan 0.000 0.470 576 P HA 0.172 nan 4.420 nan 0.000 0.240 576 P C -0.009 177.119 177.300 -0.286 0.000 1.190 576 P CA 0.304 63.043 63.100 -0.601 0.000 0.781 576 P CB -0.152 30.879 31.700 -1.115 0.000 0.931 577 F N 1.003 120.972 119.950 0.031 0.000 2.573 577 F HA 0.251 4.777 4.527 -0.001 0.000 0.349 577 F C 0.376 176.227 175.800 0.084 0.000 1.213 577 F CA -0.773 57.274 58.000 0.079 0.000 1.300 577 F CB 0.321 39.330 39.000 0.016 0.000 1.661 577 F HN -0.331 nan 8.300 nan 0.000 0.616 578 V N 1.012 121.061 119.914 0.226 0.000 2.735 578 V HA 0.548 4.667 4.120 -0.001 0.000 0.310 578 V C -0.340 175.826 176.094 0.120 0.000 1.061 578 V CA -0.824 61.570 62.300 0.156 0.000 0.913 578 V CB 2.289 34.197 31.823 0.141 0.000 1.005 578 V HN 0.497 nan 8.190 nan 0.000 0.428 579 S N 2.829 118.580 115.700 0.085 0.000 2.566 579 S HA 0.896 5.366 4.470 -0.001 0.000 0.298 579 S C -0.961 173.629 174.600 -0.018 0.000 1.083 579 S CA -0.790 57.441 58.200 0.052 0.000 0.978 579 S CB 2.057 65.304 63.200 0.078 0.000 1.073 579 S HN 0.456 nan 8.310 nan 0.000 0.491 580 V N 1.883 121.746 119.914 -0.085 0.000 2.628 580 V HA 0.836 4.956 4.120 -0.001 0.000 0.306 580 V C 0.116 176.119 176.094 -0.152 0.000 1.045 580 V CA -0.456 61.715 62.300 -0.214 0.000 0.905 580 V CB 1.610 33.107 31.823 -0.544 0.000 0.997 580 V HN 1.216 nan 8.190 nan 0.000 0.436 581 T N -0.637 113.847 114.554 -0.118 0.000 2.896 581 T HA 0.648 4.998 4.350 -0.001 0.000 0.297 581 T C -0.875 173.798 174.700 -0.045 0.000 1.108 581 T CA -0.902 61.150 62.100 -0.080 0.000 1.004 581 T CB 2.111 70.926 68.868 -0.089 0.000 1.159 581 T HN 0.715 nan 8.240 nan 0.000 0.499 582 D N 0.645 120.991 120.400 -0.091 0.000 2.511 582 D HA 0.263 4.902 4.640 -0.001 0.000 0.276 582 D C 0.977 177.133 176.300 -0.240 0.000 1.220 582 D CA -1.147 52.684 54.000 -0.281 0.000 1.077 582 D CB 0.212 40.846 40.800 -0.277 0.000 1.126 582 D HN 0.322 nan 8.370 nan 0.000 0.583 583 L N -0.690 120.377 121.223 -0.259 0.000 2.552 583 L HA 0.259 4.598 4.340 -0.001 0.000 0.227 583 L C 1.869 178.659 176.870 -0.133 0.000 1.146 583 L CA 0.799 55.529 54.840 -0.184 0.000 0.858 583 L CB -0.883 41.075 42.059 -0.168 0.000 0.969 583 L HN 0.626 nan 8.230 nan 0.000 0.451 584 A N -1.104 121.643 122.820 -0.122 0.000 2.278 584 A HA 0.083 4.402 4.320 -0.001 0.000 0.212 584 A C 1.199 178.735 177.584 -0.081 0.000 1.213 584 A CA 0.518 52.502 52.037 -0.089 0.000 0.840 584 A CB -0.623 18.330 19.000 -0.078 0.000 0.866 584 A HN 0.538 nan 8.150 nan 0.000 0.489 585 N N -0.466 118.178 118.700 -0.094 0.000 2.782 585 N HA -0.139 4.600 4.740 -0.001 0.000 0.251 585 N C -1.011 174.452 175.510 -0.078 0.000 1.101 585 N CA 0.876 53.877 53.050 -0.081 0.000 0.764 585 N CB -1.797 36.653 38.487 -0.062 0.000 1.122 585 N HN 0.558 nan 8.380 nan 0.000 0.561 586 N N 1.264 119.914 118.700 -0.084 0.000 2.520 586 N HA 0.243 4.983 4.740 -0.001 0.000 0.273 586 N C -2.497 172.943 175.510 -0.117 0.000 1.155 586 N CA -0.766 52.231 53.050 -0.088 0.000 0.967 586 N CB 0.566 39.011 38.487 -0.070 0.000 1.092 586 N HN 0.258 nan 8.380 nan 0.000 0.457 587 P HA 0.073 nan 4.420 nan 0.000 0.271 587 P C -0.473 176.688 177.300 -0.232 0.000 1.218 587 P CA -0.113 62.806 63.100 -0.303 0.000 0.780 587 P CB 0.849 32.102 31.700 -0.745 0.000 0.901 588 V N 2.593 122.415 119.914 -0.153 0.000 2.487 588 V HA 0.203 4.322 4.120 -0.001 0.000 0.298 588 V C 0.587 176.667 176.094 -0.024 0.000 1.028 588 V CA -0.814 61.452 62.300 -0.056 0.000 0.860 588 V CB 1.413 33.208 31.823 -0.047 0.000 0.991 588 V HN 0.557 nan 8.190 nan 0.000 0.427 589 E N 2.739 122.966 120.200 0.045 0.000 2.465 589 E HA 0.419 4.769 4.350 -0.001 0.000 0.260 589 E C -0.179 176.489 176.600 0.113 0.000 0.980 589 E CA 0.122 56.583 56.400 0.102 0.000 0.927 589 E CB 0.893 30.658 29.700 0.109 0.000 0.934 589 E HN 0.867 nan 8.360 nan 0.000 0.459 590 A N 4.325 127.202 122.820 0.095 0.000 2.479 590 A HA 0.461 4.781 4.320 -0.001 0.000 0.296 590 A C -1.196 176.409 177.584 0.035 0.000 1.121 590 A CA -0.678 51.427 52.037 0.112 0.000 0.743 590 A CB 1.982 21.042 19.000 0.099 0.000 1.323 590 A HN 0.648 nan 8.150 nan 0.000 0.415 591 Q N 0.619 120.446 119.800 0.046 0.000 2.347 591 Q HA 0.653 4.993 4.340 -0.001 0.000 0.271 591 Q C -2.095 173.900 176.000 -0.008 0.000 1.064 591 Q CA -0.548 55.237 55.803 -0.030 0.000 0.800 591 Q CB 2.292 31.051 28.738 0.035 0.000 1.304 591 Q HN 0.581 nan 8.270 nan 0.000 0.438 592 V N 2.351 122.195 119.914 -0.115 0.000 2.513 592 V HA 0.620 4.739 4.120 -0.001 0.000 0.299 592 V C -0.614 175.663 176.094 0.305 0.000 1.035 592 V CA -0.333 62.017 62.300 0.083 0.000 0.889 592 V CB 1.955 33.804 31.823 0.043 0.000 0.988 592 V HN 0.856 nan 8.190 nan 0.000 0.440 593 S N 4.799 120.712 115.700 0.356 0.000 2.632 593 S HA 0.697 5.167 4.470 -0.001 0.000 0.289 593 S C -2.803 171.870 174.600 0.122 0.000 1.115 593 S CA -1.159 57.235 58.200 0.323 0.000 0.889 593 S CB 2.480 65.815 63.200 0.224 0.000 1.116 593 S HN 0.529 nan 8.310 nan 0.000 0.486 594 P HA 0.299 nan 4.420 nan 0.000 0.274 594 P C -1.170 175.803 177.300 -0.545 0.000 1.256 594 P CA -0.539 62.177 63.100 -0.640 0.000 0.795 594 P CB 0.412 31.327 31.700 -1.308 0.000 1.038 595 V N 1.579 121.103 119.914 -0.650 0.000 2.348 595 V HA 0.203 4.322 4.120 -0.001 0.000 0.270 595 V C -0.608 175.197 176.094 -0.482 0.000 1.037 595 V CA -0.182 61.829 62.300 -0.482 0.000 0.872 595 V CB -0.353 31.092 31.823 -0.629 0.000 1.002 595 V HN 0.514 nan 8.190 nan 0.000 0.464 596 W N 3.483 124.702 121.300 -0.135 0.000 2.433 596 W HA 0.633 5.292 4.660 -0.001 0.000 0.315 596 W C 0.372 176.825 176.519 -0.111 0.000 1.087 596 W CA -0.411 56.841 57.345 -0.154 0.000 1.205 596 W CB 1.883 31.257 29.460 -0.143 0.000 1.288 596 W HN 0.565 nan 8.180 nan 0.000 0.504 597 S N 1.401 117.158 115.700 0.095 0.000 2.526 597 S HA 0.585 5.055 4.470 -0.001 0.000 0.293 597 S C -1.407 173.045 174.600 -0.247 0.000 1.092 597 S CA -0.969 57.231 58.200 -0.000 0.000 0.980 597 S CB 1.117 64.332 63.200 0.025 0.000 1.048 597 S HN 0.414 nan 8.310 nan 0.000 0.483 598 W N 1.789 122.879 121.300 -0.350 0.000 2.438 598 W HA 0.548 5.208 4.660 -0.001 0.000 0.324 598 W C 0.429 176.524 176.519 -0.707 0.000 1.119 598 W CA -0.115 57.010 57.345 -0.367 0.000 1.221 598 W CB 0.875 30.218 29.460 -0.195 0.000 1.253 598 W HN 0.625 nan 8.180 nan 0.000 0.555 599 H N 1.283 120.372 119.070 0.033 0.000 2.771 599 H HA 0.104 4.659 4.556 -0.001 0.000 0.361 599 H C -1.122 174.208 175.328 0.003 0.000 1.108 599 H CA -0.982 55.047 56.048 -0.032 0.000 1.201 599 H CB 1.863 31.522 29.762 -0.172 0.000 1.681 599 H HN 0.392 nan 8.280 nan 0.000 0.534 600 H N 2.191 121.323 119.070 0.102 0.000 2.846 600 H HA 0.055 4.611 4.556 -0.001 0.000 0.278 600 H C -0.505 174.885 175.328 0.103 0.000 1.117 600 H CA -0.325 55.779 56.048 0.094 0.000 1.406 600 H CB 0.275 30.076 29.762 0.066 0.000 1.445 600 H HN 0.422 nan 8.280 nan 0.000 0.469 601 D N 3.759 123.980 120.400 -0.298 0.000 2.374 601 D HA 0.000 4.640 4.640 -0.001 0.000 0.240 601 D C 0.440 176.474 176.300 -0.444 0.000 1.229 601 D CA 0.056 53.938 54.000 -0.196 0.000 0.895 601 D CB 0.726 41.617 40.800 0.152 0.000 1.046 601 D HN 0.686 nan 8.370 nan 0.000 0.498 602 T N 3.692 118.030 114.554 -0.359 0.000 3.051 602 T HA -0.074 4.275 4.350 -0.001 0.000 0.269 602 T C 1.657 176.306 174.700 -0.085 0.000 1.127 602 T CA 0.347 62.319 62.100 -0.213 0.000 1.107 602 T CB 0.283 69.118 68.868 -0.055 0.000 0.898 602 T HN 0.287 nan 8.240 nan 0.000 0.517 603 L N 1.214 122.394 121.223 -0.072 0.000 2.121 603 L HA 0.094 4.433 4.340 -0.001 0.000 0.200 603 L C 2.860 179.716 176.870 -0.023 0.000 1.077 603 L CA 1.514 56.334 54.840 -0.032 0.000 0.766 603 L CB -1.224 40.820 42.059 -0.024 0.000 0.931 603 L HN 0.285 nan 8.230 nan 0.000 0.452 604 T N -4.267 110.272 114.554 -0.025 0.000 3.113 604 T HA -0.010 4.340 4.350 -0.001 0.000 0.256 604 T C 0.666 175.373 174.700 0.012 0.000 1.131 604 T CA -0.166 61.925 62.100 -0.015 0.000 1.074 604 T CB -0.089 68.756 68.868 -0.038 0.000 0.944 604 T HN 0.123 nan 8.240 nan 0.000 0.516 605 K N 2.056 122.458 120.400 0.005 0.000 3.096 605 K HA -0.125 4.194 4.320 -0.001 0.000 0.266 605 K C 0.127 176.818 176.600 0.152 0.000 1.043 605 K CA 1.268 57.608 56.287 0.089 0.000 0.758 605 K CB -2.786 29.773 32.500 0.099 0.000 1.260 605 K HN 0.885 nan 8.250 nan 0.000 0.481 606 T N -2.860 111.783 114.554 0.149 0.000 2.901 606 T HA 0.819 5.169 4.350 -0.001 0.000 0.293 606 T C 0.233 175.137 174.700 0.340 0.000 1.084 606 T CA -1.047 61.187 62.100 0.223 0.000 1.008 606 T CB 2.287 71.254 68.868 0.166 0.000 1.170 606 T HN 0.127 nan 8.240 nan 0.000 0.509 607 I N 2.716 123.500 120.570 0.356 0.000 2.382 607 I HA 0.513 4.682 4.170 -0.001 0.000 0.285 607 I C -0.419 175.990 176.117 0.487 0.000 1.007 607 I CA -0.682 60.848 61.300 0.383 0.000 1.142 607 I CB 0.839 39.021 38.000 0.303 0.000 1.289 607 I HN 0.940 nan 8.210 nan 0.000 0.453 608 H N 5.918 125.145 119.070 0.261 0.000 2.985 608 H HA 0.684 5.240 4.556 -0.001 0.000 0.360 608 H C -3.153 171.965 175.328 -0.349 0.000 1.221 608 H CA -2.391 53.651 56.048 -0.010 0.000 1.121 608 H CB 1.867 31.621 29.762 -0.012 0.000 1.854 608 H HN 0.142 nan 8.280 nan 0.000 0.551 609 P HA 0.214 nan 4.420 nan 0.000 0.290 609 P C -1.171 176.048 177.300 -0.135 0.000 1.275 609 P CA -0.671 61.907 63.100 -0.871 0.000 0.841 609 P CB 1.880 32.696 31.700 -1.472 0.000 1.042 610 Q N 0.824 120.663 119.800 0.065 0.000 2.353 610 Q HA 0.617 4.956 4.340 -0.001 0.000 0.268 610 Q C 0.088 176.163 176.000 0.124 0.000 1.045 610 Q CA -0.888 55.014 55.803 0.165 0.000 0.811 610 Q CB 2.546 31.335 28.738 0.086 0.000 1.305 610 Q HN 0.528 nan 8.270 nan 0.000 0.447 611 G N 0.792 109.534 108.800 -0.096 0.000 2.367 611 G HA2 0.315 4.274 3.960 -0.001 0.000 0.314 611 G HA3 0.315 4.274 3.960 -0.001 0.000 0.314 611 G C -0.380 174.256 174.900 -0.440 0.000 1.130 611 G CA -0.371 44.334 45.100 -0.659 0.000 0.864 611 G HN 0.424 nan 8.290 nan 0.000 0.486 612 S N -0.210 115.183 115.700 -0.511 0.000 2.564 612 S HA 0.282 4.752 4.470 -0.001 0.000 0.278 612 S C 1.609 175.951 174.600 -0.429 0.000 1.333 612 S CA 0.316 58.259 58.200 -0.427 0.000 1.048 612 S CB 0.755 63.646 63.200 -0.515 0.000 0.900 612 S HN 0.902 nan 8.310 nan 0.000 0.505 613 T N -0.012 114.372 114.554 -0.284 0.000 3.069 613 T HA 0.118 4.467 4.350 -0.001 0.000 0.252 613 T C 1.233 175.842 174.700 -0.152 0.000 1.053 613 T CA 0.528 62.528 62.100 -0.167 0.000 0.964 613 T CB -0.215 68.608 68.868 -0.075 0.000 1.005 613 T HN 0.697 nan 8.240 nan 0.000 0.532 614 T N -1.546 112.839 114.554 -0.283 0.000 2.975 614 T HA 0.324 4.673 4.350 -0.001 0.000 0.257 614 T C 0.297 174.799 174.700 -0.331 0.000 1.003 614 T CA -0.454 61.526 62.100 -0.200 0.000 0.932 614 T CB 0.209 69.004 68.868 -0.122 0.000 1.087 614 T HN 0.512 nan 8.240 nan 0.000 0.512 615 K N -0.009 119.977 120.400 -0.691 0.000 2.469 615 K HA 0.565 4.884 4.320 -0.001 0.000 0.254 615 K C -2.058 173.856 176.600 -1.142 0.000 0.939 615 K CA -0.825 55.076 56.287 -0.644 0.000 0.812 615 K CB 2.004 34.240 32.500 -0.439 0.000 1.301 615 K HN 0.165 nan 8.250 nan 0.000 0.433 616 Y N 0.369 120.589 120.300 -0.134 0.000 2.605 616 Y HA 0.477 5.026 4.550 -0.001 0.000 0.343 616 Y C -0.245 175.662 175.900 0.011 0.000 1.036 616 Y CA -1.117 56.930 58.100 -0.089 0.000 1.065 616 Y CB 1.935 40.413 38.460 0.029 0.000 1.288 616 Y HN 0.379 nan 8.280 nan 0.000 0.481 617 R N 1.673 122.296 120.500 0.206 0.000 2.294 617 R HA 0.570 4.909 4.340 -0.001 0.000 0.319 617 R C -1.256 175.215 176.300 0.286 0.000 0.984 617 R CA -0.628 55.639 56.100 0.278 0.000 0.861 617 R CB 1.597 32.037 30.300 0.233 0.000 1.104 617 R HN 0.648 nan 8.270 nan 0.000 0.451 618 I N 4.304 125.068 120.570 0.323 0.000 2.404 618 I HA 0.426 4.595 4.170 -0.001 0.000 0.293 618 I C -1.065 175.242 176.117 0.317 0.000 0.992 618 I CA -0.778 60.705 61.300 0.305 0.000 1.149 618 I CB 1.044 39.239 38.000 0.325 0.000 1.315 618 I HN 0.539 nan 8.210 nan 0.000 0.446 619 I N 8.179 128.902 120.570 0.256 0.000 2.498 619 I HA 0.530 4.699 4.170 -0.001 0.000 0.290 619 I C -0.984 175.286 176.117 0.255 0.000 1.032 619 I CA -0.514 60.885 61.300 0.166 0.000 1.073 619 I CB 1.699 39.756 38.000 0.095 0.000 1.251 619 I HN 0.516 nan 8.210 nan 0.000 0.426 620 F N 2.574 122.551 119.950 0.045 0.000 2.713 620 F HA 0.570 5.097 4.527 -0.001 0.000 0.311 620 F C -1.051 174.733 175.800 -0.026 0.000 1.141 620 F CA -1.295 56.709 58.000 0.006 0.000 0.939 620 F CB 1.312 40.303 39.000 -0.017 0.000 1.325 620 F HN 0.222 nan 8.300 nan 0.000 0.453 621 K N 1.956 122.473 120.400 0.196 0.000 2.276 621 K HA 0.736 5.056 4.320 -0.001 0.000 0.285 621 K C -0.710 175.966 176.600 0.126 0.000 1.062 621 K CA -0.316 56.021 56.287 0.083 0.000 0.918 621 K CB 0.865 33.435 32.500 0.116 0.000 1.055 621 K HN 0.935 nan 8.250 nan 0.000 0.477 622 A N 4.642 127.446 122.820 -0.026 0.000 2.306 622 A HA 0.451 4.770 4.320 -0.001 0.000 0.314 622 A C -0.736 176.987 177.584 0.231 0.000 1.164 622 A CA -0.745 51.328 52.037 0.060 0.000 0.822 622 A CB 0.780 19.761 19.000 -0.030 0.000 1.130 622 A HN 0.875 nan 8.150 nan 0.000 0.496 623 R N 1.911 122.657 120.500 0.410 0.000 2.439 623 R HA 0.610 4.950 4.340 -0.001 0.000 0.310 623 R C -1.883 174.681 176.300 0.440 0.000 0.955 623 R CA -0.245 56.085 56.100 0.384 0.000 0.853 623 R CB 1.369 31.878 30.300 0.348 0.000 1.171 623 R HN 0.513 nan 8.270 nan 0.000 0.449 624 V N 5.792 125.919 119.914 0.355 0.000 2.656 624 V HA 0.470 4.589 4.120 -0.001 0.000 0.307 624 V C -2.290 173.709 176.094 -0.158 0.000 1.051 624 V CA -2.392 60.012 62.300 0.173 0.000 0.893 624 V CB 1.920 33.813 31.823 0.116 0.000 0.999 624 V HN 0.781 nan 8.190 nan 0.000 0.426 625 P HA 0.209 nan 4.420 nan 0.000 0.271 625 P C -2.732 174.084 177.300 -0.807 0.000 1.233 625 P CA -1.254 60.956 63.100 -1.483 0.000 0.789 625 P CB -0.260 30.786 31.700 -1.090 0.000 0.951 626 P HA 0.063 nan 4.420 nan 0.000 0.265 626 P C 0.160 177.409 177.300 -0.085 0.000 1.193 626 P CA 0.586 63.498 63.100 -0.313 0.000 0.765 626 P CB -0.224 31.366 31.700 -0.182 0.000 0.823 627 M N 0.295 119.892 119.600 -0.004 0.000 2.136 627 M HA -0.226 4.253 4.480 -0.001 0.000 0.194 627 M C 0.614 177.092 176.300 0.298 0.000 0.337 627 M CA 0.945 56.373 55.300 0.215 0.000 0.385 627 M CB -2.045 30.782 32.600 0.377 0.000 1.066 627 M HN 0.581 nan 8.290 nan 0.000 0.943 628 G N -0.210 108.623 108.800 0.056 0.000 3.086 628 G HA2 0.936 4.896 3.960 -0.001 0.000 0.282 628 G HA3 0.936 4.896 3.960 -0.001 0.000 0.282 628 G C -1.322 173.700 174.900 0.203 0.000 1.343 628 G CA -0.985 44.123 45.100 0.014 0.000 0.895 628 G HN 0.201 nan 8.290 nan 0.000 0.557 629 L N -0.531 120.793 121.223 0.169 0.000 2.371 629 L HA 0.806 5.145 4.340 -0.001 0.000 0.262 629 L C -0.305 176.658 176.870 0.155 0.000 1.006 629 L CA -1.049 53.925 54.840 0.224 0.000 0.818 629 L CB 2.489 44.691 42.059 0.238 0.000 1.354 629 L HN 0.769 nan 8.230 nan 0.000 0.415 630 A N 0.742 123.696 122.820 0.224 0.000 2.427 630 A HA 0.784 5.103 4.320 -0.001 0.000 0.298 630 A C -0.804 176.932 177.584 0.253 0.000 1.036 630 A CA -0.435 51.716 52.037 0.189 0.000 0.701 630 A CB 1.718 20.877 19.000 0.266 0.000 1.250 630 A HN 0.552 nan 8.150 nan 0.000 0.412 631 T N 2.152 116.751 114.554 0.074 0.000 2.829 631 T HA 0.659 5.009 4.350 -0.001 0.000 0.282 631 T C -1.015 173.598 174.700 -0.145 0.000 0.990 631 T CA 0.244 62.437 62.100 0.154 0.000 1.028 631 T CB 0.379 69.338 68.868 0.151 0.000 0.951 631 T HN 0.442 nan 8.240 nan 0.000 0.460 632 Y N 0.238 120.630 120.300 0.153 0.000 2.634 632 Y HA 0.680 5.229 4.550 -0.001 0.000 0.340 632 Y C -0.336 175.495 175.900 -0.115 0.000 1.058 632 Y CA -1.164 56.937 58.100 0.002 0.000 1.081 632 Y CB 1.655 40.122 38.460 0.012 0.000 1.295 632 Y HN 0.304 nan 8.280 nan 0.000 0.487 633 V N 2.941 122.821 119.914 -0.057 0.000 2.588 633 V HA 0.454 4.573 4.120 -0.001 0.000 0.304 633 V C -0.830 175.211 176.094 -0.089 0.000 1.042 633 V CA -0.952 61.252 62.300 -0.159 0.000 0.877 633 V CB 1.789 33.442 31.823 -0.283 0.000 0.996 633 V HN 0.487 nan 8.190 nan 0.000 0.425 634 L N 3.849 125.049 121.223 -0.039 0.000 2.296 634 L HA 0.724 5.064 4.340 -0.001 0.000 0.286 634 L C -0.110 176.777 176.870 0.030 0.000 1.023 634 L CA -0.177 54.654 54.840 -0.015 0.000 0.812 634 L CB 1.883 43.949 42.059 0.011 0.000 1.223 634 L HN 0.593 nan 8.230 nan 0.000 0.421 635 T N 3.493 118.069 114.554 0.037 0.000 2.861 635 T HA 0.473 4.822 4.350 -0.001 0.000 0.287 635 T C -0.309 174.442 174.700 0.084 0.000 1.003 635 T CA -0.393 61.741 62.100 0.057 0.000 0.977 635 T CB 2.394 71.285 68.868 0.038 0.000 0.996 635 T HN 0.399 nan 8.240 nan 0.000 0.448 636 I N 2.912 123.541 120.570 0.097 0.000 2.612 636 I HA 0.594 4.763 4.170 -0.001 0.000 0.295 636 I C 0.165 176.349 176.117 0.111 0.000 1.011 636 I CA 0.059 61.433 61.300 0.124 0.000 1.326 636 I CB 0.845 38.921 38.000 0.127 0.000 1.427 636 I HN 0.836 nan 8.210 nan 0.000 0.537 637 S N 2.860 118.642 115.700 0.137 0.000 2.661 637 S HA 0.338 4.808 4.470 -0.001 0.000 0.285 637 S C -0.121 174.506 174.600 0.045 0.000 1.138 637 S CA -0.491 57.753 58.200 0.073 0.000 0.855 637 S CB 1.558 64.788 63.200 0.049 0.000 1.136 637 S HN 0.711 nan 8.310 nan 0.000 0.484 638 D N 0.115 120.485 120.400 -0.050 0.000 2.355 638 D HA 0.151 4.790 4.640 -0.001 0.000 0.218 638 D C 0.783 176.815 176.300 -0.446 0.000 1.004 638 D CA 0.631 54.557 54.000 -0.122 0.000 0.880 638 D CB -0.164 40.587 40.800 -0.083 0.000 0.911 638 D HN 0.637 nan 8.370 nan 0.000 0.528 639 S N -1.679 113.689 115.700 -0.554 0.000 2.776 639 S HA 0.386 4.855 4.470 -0.001 0.000 0.292 639 S C -0.640 173.577 174.600 -0.639 0.000 1.187 639 S CA -1.223 56.399 58.200 -0.964 0.000 0.834 639 S CB 1.231 64.132 63.200 -0.498 0.000 1.199 639 S HN -0.068 nan 8.310 nan 0.000 0.514 640 K N 2.544 122.688 120.400 -0.427 0.000 2.437 640 K HA 0.149 4.469 4.320 -0.001 0.000 0.277 640 K C -2.124 174.525 176.600 0.082 0.000 1.073 640 K CA -0.537 55.794 56.287 0.072 0.000 1.105 640 K CB -0.370 32.194 32.500 0.107 0.000 0.881 640 K HN 0.433 nan 8.250 nan 0.000 0.475 641 P HA -0.002 nan 4.420 nan 0.000 0.274 641 P C 0.350 177.679 177.300 0.048 0.000 1.231 641 P CA -0.203 62.955 63.100 0.096 0.000 0.790 641 P CB 0.954 32.733 31.700 0.130 0.000 0.951 642 E N 1.097 121.282 120.200 -0.024 0.000 2.118 642 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 642 E C 0.645 177.056 176.600 -0.315 0.000 0.992 642 E CA 1.167 57.453 56.400 -0.190 0.000 0.804 642 E CB -0.055 29.466 29.700 -0.299 0.000 0.741 642 E HN 0.481 nan 8.360 nan 0.000 0.458 643 H N -0.700 118.383 119.070 0.021 0.000 2.505 643 H HA 0.216 4.771 4.556 -0.001 0.000 0.286 643 H C -0.388 174.935 175.328 -0.008 0.000 1.072 643 H CA 0.175 56.228 56.048 0.009 0.000 1.141 643 H CB 0.724 30.490 29.762 0.006 0.000 1.550 643 H HN -0.043 nan 8.280 nan 0.000 0.547 644 T N 1.583 116.162 114.554 0.041 0.000 2.792 644 T HA 0.326 4.676 4.350 -0.001 0.000 0.280 644 T C 0.360 174.934 174.700 -0.209 0.000 0.990 644 T CA -0.694 61.359 62.100 -0.079 0.000 0.960 644 T CB 2.112 70.927 68.868 -0.089 0.000 0.939 644 T HN 0.260 nan 8.240 nan 0.000 0.439 645 S N 2.215 117.744 115.700 -0.285 0.000 2.718 645 S HA 0.781 5.250 4.470 -0.001 0.000 0.300 645 S C -1.389 172.839 174.600 -0.619 0.000 1.117 645 S CA -0.858 57.189 58.200 -0.255 0.000 1.002 645 S CB 0.861 64.026 63.200 -0.059 0.000 1.092 645 S HN 0.578 nan 8.310 nan 0.000 0.542 646 Y N -0.031 120.267 120.300 -0.003 0.000 2.376 646 Y HA 0.654 5.204 4.550 -0.001 0.000 0.340 646 Y C 0.586 176.529 175.900 0.071 0.000 0.965 646 Y CA -0.794 57.284 58.100 -0.038 0.000 1.078 646 Y CB 1.671 39.967 38.460 -0.273 0.000 1.193 646 Y HN 1.030 nan 8.280 nan 0.000 0.452 647 A N 1.952 124.954 122.820 0.302 0.000 2.386 647 A HA 0.511 4.830 4.320 -0.001 0.000 0.248 647 A C 0.235 178.020 177.584 0.334 0.000 1.082 647 A CA -0.308 51.900 52.037 0.285 0.000 0.789 647 A CB -0.039 19.132 19.000 0.286 0.000 1.025 647 A HN 0.762 nan 8.150 nan 0.000 0.490 648 S N 1.811 117.644 115.700 0.222 0.000 2.646 648 S HA 0.580 5.049 4.470 -0.001 0.000 0.276 648 S C -0.381 174.323 174.600 0.172 0.000 1.222 648 S CA -0.902 57.414 58.200 0.194 0.000 1.014 648 S CB 0.844 64.114 63.200 0.116 0.000 0.991 648 S HN 0.696 nan 8.310 nan 0.000 0.533 649 N N 0.365 119.145 118.700 0.133 0.000 2.260 649 N HA 0.511 5.250 4.740 -0.001 0.000 0.293 649 N C -2.015 173.447 175.510 -0.079 0.000 1.058 649 N CA -0.534 52.554 53.050 0.063 0.000 0.824 649 N CB 2.080 40.694 38.487 0.211 0.000 1.551 649 N HN 0.595 nan 8.380 nan 0.000 0.475 650 L N 2.470 123.600 121.223 -0.156 0.000 2.404 650 L HA 0.470 4.809 4.340 -0.001 0.000 0.272 650 L C -1.603 175.114 176.870 -0.255 0.000 0.980 650 L CA -0.546 54.168 54.840 -0.211 0.000 0.836 650 L CB 1.500 43.492 42.059 -0.112 0.000 1.238 650 L HN 0.423 nan 8.230 nan 0.000 0.408 651 L N 6.652 127.672 121.223 -0.338 0.000 2.265 651 L HA 0.477 4.817 4.340 -0.001 0.000 0.289 651 L C -1.226 175.620 176.870 -0.039 0.000 1.033 651 L CA -0.360 54.351 54.840 -0.215 0.000 0.814 651 L CB 1.197 43.140 42.059 -0.193 0.000 1.203 651 L HN 0.681 nan 8.230 nan 0.000 0.423 652 L N 6.962 128.180 121.223 -0.009 0.000 2.276 652 L HA 0.568 4.907 4.340 -0.001 0.000 0.286 652 L C -0.298 176.613 176.870 0.068 0.000 1.024 652 L CA -0.551 54.313 54.840 0.040 0.000 0.826 652 L CB 1.106 43.180 42.059 0.025 0.000 1.211 652 L HN 0.671 nan 8.230 nan 0.000 0.422 653 R N 2.023 122.574 120.500 0.085 0.000 2.739 653 R HA 0.426 4.765 4.340 -0.001 0.000 0.266 653 R C -1.714 174.623 176.300 0.061 0.000 1.044 653 R CA -1.032 55.112 56.100 0.074 0.000 0.885 653 R CB 1.061 31.406 30.300 0.075 0.000 1.260 653 R HN 0.130 nan 8.270 nan 0.000 0.477 654 K N 1.457 121.882 120.400 0.041 0.000 2.202 654 K HA 0.160 4.480 4.320 -0.001 0.000 0.264 654 K C -0.235 176.366 176.600 0.001 0.000 1.010 654 K CA -0.450 55.852 56.287 0.024 0.000 0.940 654 K CB 0.494 33.006 32.500 0.021 0.000 0.983 654 K HN 0.840 nan 8.250 nan 0.000 0.475 655 N N 0.813 119.503 118.700 -0.018 0.000 2.727 655 N HA -0.110 4.629 4.740 -0.001 0.000 0.251 655 N C -2.600 172.859 175.510 -0.084 0.000 1.040 655 N CA 0.119 53.139 53.050 -0.050 0.000 0.712 655 N CB -0.718 37.742 38.487 -0.045 0.000 0.912 655 N HN 0.410 nan 8.380 nan 0.000 0.545 656 P HA 0.328 nan 4.420 nan 0.000 0.279 656 P C -0.343 176.766 177.300 -0.319 0.000 1.252 656 P CA -0.165 62.822 63.100 -0.187 0.000 0.811 656 P CB 1.139 32.723 31.700 -0.193 0.000 1.035 657 T N -2.670 111.683 114.554 -0.336 0.000 2.930 657 T HA 0.489 4.839 4.350 -0.001 0.000 0.290 657 T C 0.261 174.728 174.700 -0.388 0.000 1.052 657 T CA -0.759 61.156 62.100 -0.308 0.000 1.017 657 T CB 0.579 69.344 68.868 -0.172 0.000 1.137 657 T HN 0.478 nan 8.240 nan 0.000 0.511 658 S N 0.705 116.247 115.700 -0.263 0.000 2.566 658 S HA 0.360 4.829 4.470 -0.001 0.000 0.280 658 S C -0.163 174.508 174.600 0.119 0.000 1.343 658 S CA -0.737 57.407 58.200 -0.093 0.000 1.036 658 S CB -0.360 62.823 63.200 -0.029 0.000 0.866 658 S HN 0.684 nan 8.310 nan 0.000 0.526 659 L N 2.684 124.095 121.223 0.313 0.000 2.481 659 L HA 0.381 4.720 4.340 -0.001 0.000 0.255 659 L C -2.222 174.760 176.870 0.186 0.000 1.192 659 L CA -1.601 53.406 54.840 0.280 0.000 0.924 659 L CB 1.633 43.951 42.059 0.431 0.000 1.179 659 L HN 0.619 nan 8.230 nan 0.000 0.491 660 P HA 0.178 nan 4.420 nan 0.000 0.274 660 P C -0.173 177.130 177.300 0.006 0.000 1.231 660 P CA -0.206 62.934 63.100 0.066 0.000 0.790 660 P CB 1.828 33.555 31.700 0.045 0.000 0.951 661 L N 1.021 122.255 121.223 0.018 0.000 3.347 661 L HA 0.289 4.629 4.340 -0.001 0.000 0.306 661 L C 1.416 178.351 176.870 0.110 0.000 1.301 661 L CA -0.134 54.693 54.840 -0.021 0.000 0.985 661 L CB 0.097 42.109 42.059 -0.079 0.000 1.400 661 L HN 0.743 nan 8.230 nan 0.000 0.601 662 G N 1.186 110.034 108.800 0.080 0.000 2.622 662 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.307 662 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.307 662 G C 0.557 175.519 174.900 0.103 0.000 1.226 662 G CA 0.771 45.937 45.100 0.110 0.000 0.997 662 G HN 0.484 nan 8.290 nan 0.000 0.551 663 Q N -0.433 119.417 119.800 0.083 0.000 2.482 663 Q HA 0.207 4.546 4.340 -0.001 0.000 0.209 663 Q C 0.781 176.621 176.000 -0.266 0.000 0.961 663 Q CA 0.188 55.934 55.803 -0.094 0.000 0.945 663 Q CB 0.276 28.892 28.738 -0.202 0.000 1.012 663 Q HN 0.504 nan 8.270 nan 0.000 0.515 664 Y N 4.223 124.326 120.300 -0.329 0.000 2.805 664 Y HA -0.061 4.489 4.550 -0.001 0.000 0.331 664 Y C -1.270 174.473 175.900 -0.261 0.000 1.241 664 Y CA -1.494 56.390 58.100 -0.360 0.000 1.546 664 Y CB 0.792 39.198 38.460 -0.090 0.000 1.248 664 Y HN 0.065 nan 8.280 nan 0.000 0.559 665 P HA -0.087 nan 4.420 nan 0.000 0.237 665 P C -0.485 176.655 177.300 -0.267 0.000 1.178 665 P CA 0.848 63.672 63.100 -0.459 0.000 0.766 665 P CB 0.414 31.739 31.700 -0.624 0.000 0.876 666 E N 0.651 120.726 120.200 -0.208 0.000 2.176 666 E HA 0.231 4.581 4.350 -0.001 0.000 0.267 666 E C -0.734 175.990 176.600 0.207 0.000 0.893 666 E CA -0.690 55.733 56.400 0.038 0.000 0.761 666 E CB 0.623 30.382 29.700 0.099 0.000 1.133 666 E HN -0.129 nan 8.360 nan 0.000 0.409 667 D N 2.322 122.802 120.400 0.133 0.000 2.389 667 D HA 0.079 4.719 4.640 -0.001 0.000 0.247 667 D C -0.140 176.231 176.300 0.117 0.000 1.128 667 D CA -0.117 53.966 54.000 0.138 0.000 0.884 667 D CB 1.147 42.013 40.800 0.110 0.000 1.194 667 D HN 0.156 nan 8.370 nan 0.000 0.441 668 V N 2.882 122.854 119.914 0.097 0.000 2.740 668 V HA -0.006 4.114 4.120 -0.001 0.000 0.303 668 V C 0.689 176.628 176.094 -0.259 0.000 1.054 668 V CA 0.272 62.532 62.300 -0.067 0.000 1.106 668 V CB 0.552 32.322 31.823 -0.088 0.000 0.957 668 V HN 0.389 nan 8.190 nan 0.000 0.486 669 K N 3.238 123.399 120.400 -0.399 0.000 2.221 669 K HA 0.743 5.063 4.320 -0.001 0.000 0.243 669 K C -1.186 174.984 176.600 -0.716 0.000 0.968 669 K CA -0.254 55.829 56.287 -0.340 0.000 0.846 669 K CB 1.595 34.029 32.500 -0.111 0.000 1.141 669 K HN 0.413 nan 8.250 nan 0.000 0.434 670 F N -0.499 119.464 119.950 0.023 0.000 2.611 670 F HA 0.804 5.330 4.527 -0.001 0.000 0.324 670 F C 0.517 176.323 175.800 0.009 0.000 1.061 670 F CA -0.620 57.385 58.000 0.008 0.000 0.954 670 F CB 2.636 41.639 39.000 0.005 0.000 1.301 670 F HN 0.574 nan 8.300 nan 0.000 0.482 671 G N 0.122 109.031 108.800 0.183 0.000 2.523 671 G HA2 0.378 4.338 3.960 -0.001 0.000 0.291 671 G HA3 0.378 4.338 3.960 -0.001 0.000 0.291 671 G C -2.258 172.695 174.900 0.088 0.000 1.450 671 G CA -0.881 44.283 45.100 0.108 0.000 0.790 671 G HN 0.367 nan 8.290 nan 0.000 0.496 672 D N 0.726 121.165 120.400 0.066 0.000 2.344 672 D HA 0.420 5.060 4.640 -0.001 0.000 0.244 672 D C -1.995 174.336 176.300 0.051 0.000 1.134 672 D CA -0.698 53.335 54.000 0.055 0.000 0.930 672 D CB 1.085 41.911 40.800 0.044 0.000 1.175 672 D HN 0.013 nan 8.370 nan 0.000 0.437 673 P HA 0.067 nan 4.420 nan 0.000 0.265 673 P C -0.403 176.926 177.300 0.049 0.000 1.187 673 P CA 0.424 63.556 63.100 0.053 0.000 0.766 673 P CB 0.421 32.155 31.700 0.056 0.000 0.820 674 R N 0.250 120.781 120.500 0.052 0.000 2.728 674 R HA 0.400 4.740 4.340 -0.001 0.000 0.274 674 R C -1.180 175.159 176.300 0.065 0.000 1.032 674 R CA -1.021 55.109 56.100 0.051 0.000 0.866 674 R CB 1.015 31.340 30.300 0.042 0.000 1.263 674 R HN 0.232 nan 8.270 nan 0.000 0.475 675 E N 1.543 121.781 120.200 0.063 0.000 2.398 675 E HA 0.279 4.628 4.350 -0.001 0.000 0.263 675 E C 0.015 176.671 176.600 0.093 0.000 1.046 675 E CA -0.035 56.417 56.400 0.085 0.000 0.908 675 E CB 0.897 30.630 29.700 0.055 0.000 0.963 675 E HN 0.450 nan 8.360 nan 0.000 0.431 676 I N -2.142 118.518 120.570 0.151 0.000 3.095 676 I HA 0.617 4.787 4.170 -0.001 0.000 0.310 676 I C -0.753 175.505 176.117 0.235 0.000 1.196 676 I CA -0.858 60.533 61.300 0.151 0.000 0.985 676 I CB 2.404 40.472 38.000 0.112 0.000 1.250 676 I HN 0.307 nan 8.210 nan 0.000 0.446 677 S N 3.605 119.417 115.700 0.187 0.000 2.541 677 S HA 0.859 5.328 4.470 -0.001 0.000 0.280 677 S C -1.327 173.391 174.600 0.196 0.000 1.112 677 S CA -0.538 57.784 58.200 0.203 0.000 0.925 677 S CB 1.386 64.649 63.200 0.106 0.000 1.067 677 S HN 0.695 nan 8.310 nan 0.000 0.479 678 L N 3.048 124.413 121.223 0.237 0.000 2.424 678 L HA 0.703 5.042 4.340 -0.001 0.000 0.258 678 L C -0.506 176.460 176.870 0.160 0.000 0.995 678 L CA -0.773 54.179 54.840 0.186 0.000 0.821 678 L CB 2.508 44.691 42.059 0.206 0.000 1.383 678 L HN 0.730 nan 8.230 nan 0.000 0.410 679 R N 1.576 122.147 120.500 0.118 0.000 2.510 679 R HA 0.650 4.989 4.340 -0.001 0.000 0.287 679 R C -2.053 174.296 176.300 0.082 0.000 1.084 679 R CA -0.455 55.703 56.100 0.096 0.000 0.934 679 R CB 2.183 32.532 30.300 0.081 0.000 1.201 679 R HN 0.406 nan 8.270 nan 0.000 0.431 680 V N 4.647 124.608 119.914 0.079 0.000 2.472 680 V HA 0.579 4.699 4.120 -0.001 0.000 0.290 680 V C 1.115 177.244 176.094 0.057 0.000 1.037 680 V CA 0.668 63.010 62.300 0.069 0.000 0.908 680 V CB 1.152 33.017 31.823 0.072 0.000 0.985 680 V HN 1.108 nan 8.190 nan 0.000 0.454 681 G N 4.991 113.822 108.800 0.052 0.000 2.596 681 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.295 681 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.295 681 G C 0.435 175.359 174.900 0.038 0.000 1.240 681 G CA 0.585 45.712 45.100 0.044 0.000 0.985 681 G HN 0.706 nan 8.290 nan 0.000 0.555 682 N N 2.202 120.921 118.700 0.031 0.000 2.251 682 N HA 0.257 4.997 4.740 -0.001 0.000 0.217 682 N C 1.234 176.757 175.510 0.021 0.000 1.124 682 N CA 0.884 53.948 53.050 0.024 0.000 0.843 682 N CB 0.498 38.996 38.487 0.018 0.000 1.024 682 N HN 0.821 nan 8.380 nan 0.000 0.501 683 G N 2.042 110.858 108.800 0.028 0.000 2.486 683 G HA2 0.141 4.101 3.960 -0.001 0.000 0.272 683 G HA3 0.141 4.101 3.960 -0.001 0.000 0.272 683 G C -2.242 172.670 174.900 0.021 0.000 1.426 683 G CA -0.497 44.618 45.100 0.025 0.000 1.058 683 G HN 0.024 nan 8.290 nan 0.000 0.531 684 P HA 0.216 nan 4.420 nan 0.000 0.274 684 P C -0.635 176.686 177.300 0.035 0.000 1.246 684 P CA 0.033 63.139 63.100 0.010 0.000 0.795 684 P CB 0.964 32.665 31.700 0.003 0.000 1.006 685 T N 2.133 116.705 114.554 0.030 0.000 2.758 685 T HA 0.478 4.827 4.350 -0.001 0.000 0.285 685 T C -0.039 174.702 174.700 0.069 0.000 0.981 685 T CA -0.397 61.748 62.100 0.075 0.000 0.965 685 T CB 0.160 69.088 68.868 0.101 0.000 0.927 685 T HN 0.177 nan 8.240 nan 0.000 0.448 686 L N 2.650 123.919 121.223 0.076 0.000 2.329 686 L HA 0.805 5.144 4.340 -0.001 0.000 0.279 686 L C 0.178 176.994 176.870 -0.090 0.000 1.014 686 L CA -1.179 53.628 54.840 -0.056 0.000 0.814 686 L CB 1.533 43.536 42.059 -0.093 0.000 1.257 686 L HN 0.634 nan 8.230 nan 0.000 0.424 687 A N 3.079 125.754 122.820 -0.243 0.000 2.337 687 A HA 0.871 5.190 4.320 -0.001 0.000 0.329 687 A C -1.188 176.160 177.584 -0.394 0.000 1.146 687 A CA -0.305 51.641 52.037 -0.150 0.000 0.800 687 A CB 0.800 19.750 19.000 -0.084 0.000 1.220 687 A HN 0.502 nan 8.150 nan 0.000 0.472 688 F N 0.763 120.753 119.950 0.067 0.000 2.561 688 F HA 0.556 5.083 4.527 -0.001 0.000 0.321 688 F C 1.052 176.892 175.800 0.068 0.000 1.065 688 F CA -0.341 57.715 58.000 0.093 0.000 0.934 688 F CB 2.170 41.231 39.000 0.102 0.000 1.215 688 F HN 0.659 nan 8.300 nan 0.000 0.471 689 S N -0.079 115.775 115.700 0.256 0.000 2.624 689 S HA 0.138 4.607 4.470 -0.001 0.000 0.263 689 S C 0.937 175.639 174.600 0.169 0.000 1.287 689 S CA -0.173 58.121 58.200 0.157 0.000 0.990 689 S CB 0.815 64.097 63.200 0.137 0.000 0.950 689 S HN 0.841 nan 8.310 nan 0.000 0.561 690 E N -0.094 120.174 120.200 0.113 0.000 2.472 690 E HA -0.183 4.167 4.350 -0.001 0.000 0.200 690 E C 1.153 177.816 176.600 0.106 0.000 1.046 690 E CA 0.899 57.358 56.400 0.098 0.000 0.871 690 E CB -0.409 29.332 29.700 0.070 0.000 0.806 690 E HN 0.758 nan 8.360 nan 0.000 0.533 691 Q N 0.035 119.913 119.800 0.130 0.000 2.280 691 Q HA 0.209 4.548 4.340 -0.001 0.000 0.202 691 Q C 0.802 176.895 176.000 0.156 0.000 0.903 691 Q CA 0.452 56.332 55.803 0.128 0.000 0.948 691 Q CB 0.961 29.778 28.738 0.132 0.000 1.058 691 Q HN 0.486 nan 8.270 nan 0.000 0.493 692 G N 0.381 109.293 108.800 0.187 0.000 2.143 692 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.248 692 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.248 692 G C -0.269 174.862 174.900 0.385 0.000 0.991 692 G CA -0.080 45.139 45.100 0.199 0.000 0.689 692 G HN 0.275 nan 8.290 nan 0.000 0.522 693 L N -0.268 121.223 121.223 0.447 0.000 2.325 693 L HA 0.692 5.031 4.340 -0.001 0.000 0.278 693 L C 0.800 177.984 176.870 0.522 0.000 1.023 693 L CA -1.404 53.751 54.840 0.525 0.000 0.811 693 L CB 1.572 43.846 42.059 0.358 0.000 1.249 693 L HN 0.132 nan 8.230 nan 0.000 0.431 694 L N 3.142 124.652 121.223 0.479 0.000 2.543 694 L HA -0.050 4.289 4.340 -0.001 0.000 0.285 694 L C 1.034 177.973 176.870 0.115 0.000 1.236 694 L CA 0.975 55.834 54.840 0.033 0.000 0.871 694 L CB 0.158 42.277 42.059 0.100 0.000 1.121 694 L HN 0.833 nan 8.230 nan 0.000 0.501 695 K N 1.216 121.570 120.400 -0.076 0.000 2.511 695 K HA 0.312 4.631 4.320 -0.001 0.000 0.206 695 K C -0.189 176.345 176.600 -0.110 0.000 1.333 695 K CA 0.329 56.585 56.287 -0.052 0.000 0.957 695 K CB 0.453 32.896 32.500 -0.095 0.000 1.172 695 K HN 0.628 nan 8.250 nan 0.000 0.547 696 S N 0.252 115.866 115.700 -0.143 0.000 2.567 696 S HA 0.571 5.041 4.470 -0.001 0.000 0.270 696 S C -1.141 173.404 174.600 -0.092 0.000 1.152 696 S CA -0.995 57.149 58.200 -0.095 0.000 0.835 696 S CB 1.284 64.477 63.200 -0.013 0.000 1.115 696 S HN 0.179 nan 8.310 nan 0.000 0.459 697 I N 1.484 122.015 120.570 -0.065 0.000 2.466 697 I HA 0.453 4.622 4.170 -0.001 0.000 0.289 697 I C -0.599 175.476 176.117 -0.071 0.000 1.026 697 I CA -0.364 60.898 61.300 -0.063 0.000 1.078 697 I CB 2.120 40.072 38.000 -0.080 0.000 1.249 697 I HN 0.744 nan 8.210 nan 0.000 0.429 698 Q N 6.155 125.903 119.800 -0.087 0.000 2.348 698 Q HA 0.423 4.763 4.340 -0.001 0.000 0.265 698 Q C 0.004 175.931 176.000 -0.121 0.000 0.998 698 Q CA -0.550 55.129 55.803 -0.206 0.000 0.831 698 Q CB 1.753 30.223 28.738 -0.448 0.000 1.251 698 Q HN 0.777 nan 8.270 nan 0.000 0.456 699 L N 2.013 123.172 121.223 -0.107 0.000 2.056 699 L HA -0.018 4.321 4.340 -0.001 0.000 0.207 699 L C 1.159 177.994 176.870 -0.058 0.000 1.078 699 L CA 1.292 56.091 54.840 -0.069 0.000 0.749 699 L CB -0.324 41.697 42.059 -0.063 0.000 0.901 699 L HN 0.682 nan 8.230 nan 0.000 0.433 700 T N -5.728 108.783 114.554 -0.072 0.000 2.887 700 T HA 0.222 4.571 4.350 -0.001 0.000 0.292 700 T C 0.504 175.168 174.700 -0.060 0.000 1.087 700 T CA -0.854 61.215 62.100 -0.051 0.000 1.009 700 T CB 1.691 70.534 68.868 -0.041 0.000 1.203 700 T HN 0.024 nan 8.240 nan 0.000 0.518 701 Q N 0.637 120.417 119.800 -0.033 0.000 2.152 701 Q HA -0.179 4.160 4.340 -0.001 0.000 0.206 701 Q C 1.263 177.242 176.000 -0.034 0.000 0.985 701 Q CA 2.170 57.960 55.803 -0.023 0.000 0.863 701 Q CB -0.299 28.437 28.738 -0.003 0.000 0.904 701 Q HN 0.743 nan 8.270 nan 0.000 0.422 702 D N 1.313 121.690 120.400 -0.038 0.000 2.144 702 D HA -0.053 4.586 4.640 -0.001 0.000 0.207 702 D C 1.184 177.448 176.300 -0.061 0.000 0.970 702 D CA 0.773 54.751 54.000 -0.036 0.000 0.853 702 D CB -0.332 40.452 40.800 -0.027 0.000 1.007 702 D HN 0.168 nan 8.370 nan 0.000 0.469 703 S N 2.535 118.189 115.700 -0.077 0.000 2.540 703 S HA 0.026 4.495 4.470 -0.001 0.000 0.272 703 S C -2.161 172.351 174.600 -0.148 0.000 1.357 703 S CA -0.845 57.298 58.200 -0.095 0.000 1.011 703 S CB 0.031 63.174 63.200 -0.094 0.000 0.852 703 S HN 0.007 nan 8.310 nan 0.000 0.535 704 P HA 0.161 nan 4.420 nan 0.000 0.274 704 P C -0.672 176.496 177.300 -0.220 0.000 1.246 704 P CA -0.368 62.661 63.100 -0.118 0.000 0.795 704 P CB 0.285 31.962 31.700 -0.038 0.000 1.006 705 H N 0.273 119.327 119.070 -0.027 0.000 3.067 705 H HA 0.163 4.719 4.556 -0.001 0.000 0.265 705 H C -0.115 175.179 175.328 -0.057 0.000 1.234 705 H CA -0.249 55.774 56.048 -0.042 0.000 1.452 705 H CB -0.169 29.570 29.762 -0.039 0.000 1.527 705 H HN 0.077 nan 8.280 nan 0.000 0.486 706 V N 7.040 126.934 119.914 -0.034 0.000 2.479 706 V HA 0.039 4.159 4.120 -0.001 0.000 0.281 706 V C -1.856 174.184 176.094 -0.090 0.000 1.031 706 V CA -1.428 60.838 62.300 -0.056 0.000 1.038 706 V CB 0.617 32.398 31.823 -0.071 0.000 0.981 706 V HN 0.536 nan 8.190 nan 0.000 0.478 707 P HA 0.145 nan 4.420 nan 0.000 0.261 707 P C -0.764 176.395 177.300 -0.235 0.000 1.203 707 P CA 0.330 63.285 63.100 -0.242 0.000 0.767 707 P CB 0.398 31.789 31.700 -0.515 0.000 0.785 708 V N 4.452 124.259 119.914 -0.178 0.000 2.509 708 V HA 0.215 4.335 4.120 -0.001 0.000 0.289 708 V C -0.567 175.442 176.094 -0.143 0.000 1.026 708 V CA -0.439 61.744 62.300 -0.195 0.000 0.872 708 V CB 1.199 32.892 31.823 -0.217 0.000 1.017 708 V HN 0.596 nan 8.190 nan 0.000 0.436 709 H N 4.747 123.668 119.070 -0.248 0.000 2.481 709 H HA 0.564 5.120 4.556 -0.001 0.000 0.333 709 H C -1.388 173.836 175.328 -0.173 0.000 1.066 709 H CA -0.653 55.294 56.048 -0.168 0.000 1.209 709 H CB 1.288 30.988 29.762 -0.103 0.000 1.445 709 H HN 0.510 nan 8.280 nan 0.000 0.488 710 F N 3.897 123.592 119.950 -0.425 0.000 2.385 710 F HA 0.309 4.835 4.527 -0.001 0.000 0.336 710 F C 0.238 175.528 175.800 -0.849 0.000 1.100 710 F CA -0.234 57.453 58.000 -0.522 0.000 1.116 710 F CB 1.262 40.074 39.000 -0.313 0.000 1.166 710 F HN 0.381 nan 8.300 nan 0.000 0.511 711 K N 3.401 123.520 120.400 -0.468 0.000 2.523 711 K HA 0.457 4.776 4.320 -0.001 0.000 0.257 711 K C -2.016 174.300 176.600 -0.473 0.000 0.932 711 K CA -0.603 55.443 56.287 -0.402 0.000 0.812 711 K CB 1.507 33.829 32.500 -0.297 0.000 1.326 711 K HN 0.448 nan 8.250 nan 0.000 0.433 712 F N 3.768 123.634 119.950 -0.141 0.000 2.458 712 F HA 0.512 5.038 4.527 -0.001 0.000 0.336 712 F C -0.385 175.366 175.800 -0.081 0.000 1.114 712 F CA -0.573 57.359 58.000 -0.113 0.000 0.987 712 F CB 1.267 40.187 39.000 -0.133 0.000 1.130 712 F HN 0.255 nan 8.300 nan 0.000 0.458 713 L N 2.554 123.814 121.223 0.060 0.000 2.250 713 L HA 0.647 4.987 4.340 -0.001 0.000 0.252 713 L C -1.163 175.695 176.870 -0.021 0.000 1.054 713 L CA -1.015 53.813 54.840 -0.020 0.000 0.856 713 L CB 2.237 44.221 42.059 -0.124 0.000 1.443 713 L HN 0.497 nan 8.230 nan 0.000 0.427 714 K N -0.582 119.761 120.400 -0.095 0.000 2.464 714 K HA 0.643 4.962 4.320 -0.001 0.000 0.253 714 K C -1.851 174.663 176.600 -0.143 0.000 0.933 714 K CA -0.810 55.449 56.287 -0.047 0.000 0.801 714 K CB 1.837 34.348 32.500 0.019 0.000 1.271 714 K HN 0.300 nan 8.250 nan 0.000 0.430 715 Y N 0.388 120.748 120.300 0.100 0.000 2.420 715 Y HA 0.527 5.077 4.550 -0.001 0.000 0.334 715 Y C 0.919 176.876 175.900 0.094 0.000 1.094 715 Y CA -0.210 57.961 58.100 0.119 0.000 1.126 715 Y CB 2.354 40.954 38.460 0.234 0.000 1.217 715 Y HN 0.921 nan 8.280 nan 0.000 0.462 716 G N 0.620 109.566 108.800 0.243 0.000 2.938 716 G HA2 0.618 4.578 3.960 -0.001 0.000 0.258 716 G HA3 0.618 4.578 3.960 -0.001 0.000 0.258 716 G C -1.474 173.501 174.900 0.124 0.000 1.356 716 G CA -0.702 44.483 45.100 0.142 0.000 1.052 716 G HN 0.428 nan 8.290 nan 0.000 0.550 717 V N -0.044 119.910 119.914 0.066 0.000 2.715 717 V HA 0.452 4.572 4.120 -0.001 0.000 0.310 717 V C 0.050 176.144 176.094 -0.001 0.000 1.054 717 V CA -0.838 61.483 62.300 0.036 0.000 0.928 717 V CB 1.872 33.714 31.823 0.032 0.000 1.007 717 V HN 0.675 nan 8.190 nan 0.000 0.437 718 R N 1.495 121.984 120.500 -0.017 0.000 2.491 718 R HA 0.176 4.515 4.340 -0.001 0.000 0.283 718 R C 1.177 177.420 176.300 -0.096 0.000 1.072 718 R CA 0.412 56.488 56.100 -0.040 0.000 1.048 718 R CB 0.562 30.850 30.300 -0.020 0.000 0.983 718 R HN 0.907 nan 8.270 nan 0.000 0.450 719 S N 1.277 116.854 115.700 -0.204 0.000 2.528 719 S HA 0.026 4.495 4.470 -0.001 0.000 0.219 719 S C 0.408 174.679 174.600 -0.549 0.000 0.985 719 S CA 0.140 58.115 58.200 -0.376 0.000 0.914 719 S CB 0.061 62.980 63.200 -0.469 0.000 0.776 719 S HN 0.545 nan 8.310 nan 0.000 0.526 720 H N 0.612 119.682 119.070 0.001 0.000 2.690 720 H HA 0.625 5.180 4.556 -0.001 0.000 0.368 720 H C 0.964 176.290 175.328 -0.004 0.000 1.150 720 H CA -0.056 55.991 56.048 -0.001 0.000 1.174 720 H CB 1.213 30.974 29.762 -0.001 0.000 1.684 720 H HN 0.401 nan 8.280 nan 0.000 0.538 721 G N 2.107 110.970 108.800 0.106 0.000 2.632 721 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.224 721 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.224 721 G C -0.867 174.046 174.900 0.021 0.000 1.341 721 G CA -0.510 44.622 45.100 0.053 0.000 0.880 721 G HN 0.610 nan 8.290 nan 0.000 0.566 722 D N 0.884 121.289 120.400 0.009 0.000 2.424 722 D HA 0.513 5.152 4.640 -0.001 0.000 0.244 722 D C 0.946 177.240 176.300 -0.009 0.000 1.134 722 D CA 0.313 54.310 54.000 -0.005 0.000 0.881 722 D CB 0.826 41.620 40.800 -0.011 0.000 1.191 722 D HN 0.469 nan 8.370 nan 0.000 0.445 723 R N 0.545 121.039 120.500 -0.010 0.000 2.474 723 R HA 0.339 4.679 4.340 -0.001 0.000 0.295 723 R C -0.165 176.135 176.300 0.000 0.000 0.980 723 R CA -0.481 55.617 56.100 -0.004 0.000 0.934 723 R CB 1.066 31.366 30.300 0.000 0.000 1.101 723 R HN 0.233 nan 8.270 nan 0.000 0.469 724 S N 0.449 116.160 115.700 0.017 0.000 2.568 724 S HA 0.519 4.988 4.470 -0.001 0.000 0.282 724 S C 0.342 174.964 174.600 0.038 0.000 1.338 724 S CA 0.336 58.562 58.200 0.043 0.000 1.045 724 S CB 1.041 64.299 63.200 0.096 0.000 0.873 724 S HN 0.740 nan 8.310 nan 0.000 0.516 725 G N -0.105 108.717 108.800 0.037 0.000 2.815 725 G HA2 0.587 4.547 3.960 -0.001 0.000 0.305 725 G HA3 0.587 4.547 3.960 -0.001 0.000 0.305 725 G C 0.563 175.480 174.900 0.029 0.000 1.277 725 G CA -0.117 45.008 45.100 0.042 0.000 0.795 725 G HN 0.706 nan 8.290 nan 0.000 0.528 726 A N -1.267 121.552 122.820 -0.001 0.000 1.978 726 A HA 0.054 4.373 4.320 -0.001 0.000 0.220 726 A C 1.911 179.400 177.584 -0.158 0.000 1.170 726 A CA 2.093 54.067 52.037 -0.105 0.000 0.636 726 A CB -0.635 18.226 19.000 -0.231 0.000 0.810 726 A HN 0.599 nan 8.150 nan 0.000 0.448 727 Y N -0.780 119.457 120.300 -0.104 0.000 2.353 727 Y HA 0.343 4.893 4.550 -0.001 0.000 0.294 727 Y C 0.900 176.699 175.900 -0.169 0.000 1.135 727 Y CA -0.075 57.900 58.100 -0.208 0.000 1.176 727 Y CB -0.214 37.767 38.460 -0.798 0.000 1.124 727 Y HN 0.023 nan 8.280 nan 0.000 0.537 728 L N 0.594 121.782 121.223 -0.059 0.000 2.350 728 L HA 0.200 4.540 4.340 -0.001 0.000 0.275 728 L C -0.852 176.075 176.870 0.096 0.000 1.099 728 L CA -0.285 54.528 54.840 -0.045 0.000 0.808 728 L CB 1.013 42.996 42.059 -0.127 0.000 1.149 728 L HN 0.116 nan 8.230 nan 0.000 0.442 729 F N 4.724 124.623 119.950 -0.086 0.000 2.375 729 F HA 0.476 5.003 4.527 -0.001 0.000 0.361 729 F C -0.637 175.089 175.800 -0.124 0.000 1.117 729 F CA -0.793 57.115 58.000 -0.154 0.000 1.037 729 F CB 0.709 39.549 39.000 -0.268 0.000 1.192 729 F HN 0.316 nan 8.300 nan 0.000 0.452 730 L N 8.968 130.108 121.223 -0.139 0.000 2.556 730 L HA 0.326 4.665 4.340 -0.001 0.000 0.243 730 L C -2.295 174.407 176.870 -0.280 0.000 1.331 730 L CA -1.896 52.802 54.840 -0.237 0.000 0.927 730 L CB 0.933 42.945 42.059 -0.078 0.000 1.219 730 L HN 0.422 nan 8.230 nan 0.000 0.490 731 P HA 0.009 nan 4.420 nan 0.000 0.269 731 P C -0.525 176.705 177.300 -0.117 0.000 1.215 731 P CA -0.197 62.717 63.100 -0.310 0.000 0.780 731 P CB 0.591 31.967 31.700 -0.539 0.000 0.898 732 N N 1.250 119.952 118.700 0.004 0.000 3.209 732 N HA 0.296 5.036 4.740 -0.001 0.000 0.309 732 N C 0.690 176.223 175.510 0.037 0.000 1.384 732 N CA -0.190 52.867 53.050 0.012 0.000 1.173 732 N CB -0.707 37.793 38.487 0.021 0.000 1.460 732 N HN 0.753 nan 8.380 nan 0.000 0.534 733 G N 0.744 109.560 108.800 0.027 0.000 2.655 733 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.680 733 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.680 733 G C -3.049 171.931 174.900 0.134 0.000 1.302 733 G CA -1.111 44.019 45.100 0.050 0.000 0.872 733 G HN 0.361 nan 8.290 nan 0.000 0.540 734 P HA 0.452 nan 4.420 nan 0.000 0.269 734 P C 0.508 177.783 177.300 -0.042 0.000 1.217 734 P CA 0.670 63.841 63.100 0.118 0.000 0.783 734 P CB 0.385 32.116 31.700 0.052 0.000 0.898 735 A N 2.037 124.650 122.820 -0.346 0.000 2.445 735 A HA 0.368 4.688 4.320 -0.001 0.000 0.242 735 A C 0.178 177.607 177.584 -0.258 0.000 1.075 735 A CA 0.328 51.978 52.037 -0.646 0.000 0.777 735 A CB -0.271 18.118 19.000 -1.019 0.000 1.013 735 A HN 0.473 nan 8.150 nan 0.000 0.493 736 S N 2.609 118.196 115.700 -0.189 0.000 2.509 736 S HA 0.581 5.051 4.470 -0.001 0.000 0.297 736 S C -2.690 171.868 174.600 -0.069 0.000 1.118 736 S CA -1.020 57.128 58.200 -0.088 0.000 1.074 736 S CB 1.318 64.489 63.200 -0.048 0.000 1.038 736 S HN 0.574 nan 8.310 nan 0.000 0.498 737 P HA 0.105 nan 4.420 nan 0.000 0.268 737 P C -0.731 176.573 177.300 0.007 0.000 1.205 737 P CA -0.346 62.749 63.100 -0.009 0.000 0.771 737 P CB 0.321 32.027 31.700 0.011 0.000 0.858 738 V N 3.962 123.893 119.914 0.029 0.000 2.572 738 V HA 0.002 4.122 4.120 -0.001 0.000 0.291 738 V C 0.929 177.039 176.094 0.028 0.000 1.039 738 V CA 0.163 62.480 62.300 0.029 0.000 1.055 738 V CB -0.064 31.786 31.823 0.045 0.000 0.969 738 V HN 0.473 nan 8.190 nan 0.000 0.482 739 E N 4.827 125.038 120.200 0.018 0.000 2.217 739 E HA 0.165 4.514 4.350 -0.001 0.000 0.279 739 E C 0.606 177.217 176.600 0.019 0.000 1.068 739 E CA 0.039 56.452 56.400 0.021 0.000 0.882 739 E CB 1.194 30.904 29.700 0.017 0.000 1.039 739 E HN 0.533 nan 8.360 nan 0.000 0.418 740 L N 1.872 123.113 121.223 0.029 0.000 2.477 740 L HA 0.110 4.450 4.340 -0.001 0.000 0.220 740 L C 1.394 178.283 176.870 0.032 0.000 1.106 740 L CA 0.505 55.361 54.840 0.027 0.000 0.851 740 L CB -0.447 41.639 42.059 0.044 0.000 0.994 740 L HN 0.750 nan 8.230 nan 0.000 0.462 741 G N 0.963 109.784 108.800 0.035 0.000 2.552 741 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.265 741 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.265 741 G C -0.103 174.825 174.900 0.046 0.000 1.234 741 G CA -0.160 44.964 45.100 0.039 0.000 0.944 741 G HN 0.396 nan 8.290 nan 0.000 0.568 742 Q N 1.614 121.445 119.800 0.051 0.000 2.571 742 Q HA 0.411 4.751 4.340 -0.001 0.000 0.243 742 Q C -2.162 173.879 176.000 0.069 0.000 1.055 742 Q CA -1.444 54.393 55.803 0.057 0.000 0.815 742 Q CB 1.886 30.654 28.738 0.050 0.000 1.151 742 Q HN 0.631 nan 8.270 nan 0.000 0.519 743 P HA 0.051 nan 4.420 nan 0.000 0.272 743 P C -0.323 177.049 177.300 0.119 0.000 1.223 743 P CA -0.259 62.894 63.100 0.090 0.000 0.784 743 P CB 1.080 32.815 31.700 0.058 0.000 0.923 744 V N 2.508 122.532 119.914 0.182 0.000 2.530 744 V HA 0.131 4.250 4.120 -0.001 0.000 0.282 744 V C 0.555 176.805 176.094 0.261 0.000 1.048 744 V CA -0.228 62.202 62.300 0.216 0.000 0.997 744 V CB 1.291 33.281 31.823 0.278 0.000 0.987 744 V HN 0.280 nan 8.190 nan 0.000 0.477 745 V N 6.244 126.256 119.914 0.164 0.000 2.448 745 V HA 0.462 4.582 4.120 -0.001 0.000 0.295 745 V C -0.458 175.666 176.094 0.050 0.000 1.025 745 V CA -0.636 61.740 62.300 0.126 0.000 0.859 745 V CB 1.716 33.571 31.823 0.053 0.000 0.988 745 V HN 0.667 nan 8.190 nan 0.000 0.431 746 L N 6.663 127.915 121.223 0.050 0.000 2.305 746 L HA 0.712 5.051 4.340 -0.001 0.000 0.284 746 L C -0.592 176.170 176.870 -0.180 0.000 1.013 746 L CA 0.026 54.767 54.840 -0.165 0.000 0.819 746 L CB 1.710 43.572 42.059 -0.328 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 4.260 124.056 119.914 -0.195 0.000 2.384 747 V HA 0.539 4.659 4.120 -0.001 0.000 0.287 747 V C 0.040 176.066 176.094 -0.114 0.000 1.020 747 V CA -0.383 61.824 62.300 -0.156 0.000 0.850 747 V CB 1.476 33.226 31.823 -0.122 0.000 0.987 747 V HN 0.848 nan 8.190 nan 0.000 0.436 748 T N 5.336 119.851 114.554 -0.065 0.000 2.792 748 T HA 0.480 4.829 4.350 -0.001 0.000 0.280 748 T C -0.422 174.308 174.700 0.049 0.000 0.990 748 T CA -0.605 61.513 62.100 0.029 0.000 0.960 748 T CB 1.269 70.194 68.868 0.095 0.000 0.939 748 T HN 0.682 nan 8.240 nan 0.000 0.439 749 K N 2.226 122.672 120.400 0.078 0.000 2.450 749 K HA 0.693 5.012 4.320 -0.001 0.000 0.257 749 K C -0.383 176.277 176.600 0.101 0.000 0.953 749 K CA -0.576 55.757 56.287 0.076 0.000 0.844 749 K CB 1.034 33.572 32.500 0.062 0.000 1.103 749 K HN 0.782 nan 8.250 nan 0.000 0.429 750 G N 2.090 110.947 108.800 0.094 0.000 2.680 750 G HA2 0.230 4.190 3.960 -0.001 0.000 0.290 750 G HA3 0.230 4.190 3.960 -0.001 0.000 0.290 750 G C -0.212 174.734 174.900 0.077 0.000 1.355 750 G CA -0.631 44.526 45.100 0.095 0.000 0.903 750 G HN 0.454 nan 8.290 nan 0.000 0.474 751 K N -0.332 120.108 120.400 0.067 0.000 2.155 751 K HA 0.129 4.448 4.320 -0.001 0.000 0.203 751 K C 2.084 178.721 176.600 0.061 0.000 1.052 751 K CA 0.789 57.112 56.287 0.060 0.000 0.948 751 K CB -0.181 32.350 32.500 0.052 0.000 0.728 751 K HN 0.407 nan 8.250 nan 0.000 0.448 752 L N -0.514 120.748 121.223 0.064 0.000 2.470 752 L HA 0.195 4.535 4.340 -0.001 0.000 0.219 752 L C 0.636 177.544 176.870 0.063 0.000 1.071 752 L CA 0.067 54.946 54.840 0.064 0.000 0.850 752 L CB 0.401 42.501 42.059 0.069 0.000 1.040 752 L HN 0.117 nan 8.230 nan 0.000 0.475 753 E N -0.302 119.940 120.200 0.070 0.000 2.321 753 E HA 0.397 4.746 4.350 -0.001 0.000 0.281 753 E C -1.472 175.175 176.600 0.079 0.000 0.910 753 E CA -0.195 56.247 56.400 0.071 0.000 0.770 753 E CB 2.117 31.858 29.700 0.069 0.000 1.225 753 E HN -0.122 nan 8.360 nan 0.000 0.417 754 S N 1.208 116.953 115.700 0.074 0.000 2.671 754 S HA 0.814 5.284 4.470 -0.001 0.000 0.299 754 S C -1.228 173.401 174.600 0.048 0.000 1.116 754 S CA -0.609 57.630 58.200 0.066 0.000 0.912 754 S CB 1.797 65.037 63.200 0.066 0.000 1.130 754 S HN 0.630 nan 8.310 nan 0.000 0.501 755 S N -0.231 115.473 115.700 0.006 0.000 2.567 755 S HA 0.706 5.176 4.470 -0.001 0.000 0.270 755 S C -2.013 172.496 174.600 -0.152 0.000 1.152 755 S CA -0.670 57.506 58.200 -0.039 0.000 0.835 755 S CB 1.001 64.202 63.200 0.002 0.000 1.115 755 S HN 0.488 nan 8.310 nan 0.000 0.459 756 V N 2.115 121.878 119.914 -0.253 0.000 2.525 756 V HA 0.721 4.841 4.120 -0.001 0.000 0.299 756 V C -0.550 175.409 176.094 -0.226 0.000 1.034 756 V CA -0.425 61.651 62.300 -0.374 0.000 0.863 756 V CB 1.638 32.911 31.823 -0.916 0.000 0.999 756 V HN 0.967 nan 8.190 nan 0.000 0.423 757 S N 3.307 118.936 115.700 -0.119 0.000 2.500 757 S HA 0.783 5.252 4.470 -0.001 0.000 0.301 757 S C -0.802 173.744 174.600 -0.090 0.000 1.092 757 S CA -0.622 57.519 58.200 -0.098 0.000 1.030 757 S CB 2.129 65.379 63.200 0.084 0.000 1.031 757 S HN 0.657 nan 8.310 nan 0.000 0.483 758 V N 2.209 121.946 119.914 -0.295 0.000 2.760 758 V HA 0.814 4.933 4.120 -0.001 0.000 0.309 758 V C -0.015 175.718 176.094 -0.603 0.000 1.077 758 V CA -0.436 61.702 62.300 -0.270 0.000 0.910 758 V CB 1.761 33.561 31.823 -0.038 0.000 1.008 758 V HN 0.987 nan 8.190 nan 0.000 0.424 759 G N 7.043 115.504 108.800 -0.564 0.000 2.546 759 G HA2 0.534 4.493 3.960 -0.001 0.000 0.320 759 G HA3 0.534 4.493 3.960 -0.001 0.000 0.320 759 G C -0.564 174.232 174.900 -0.173 0.000 0.984 759 G CA -0.328 44.505 45.100 -0.445 0.000 1.183 759 G HN 0.706 nan 8.290 nan 0.000 0.443 760 L N 2.780 123.855 121.223 -0.247 0.000 2.400 760 L HA 0.419 4.758 4.340 -0.001 0.000 0.264 760 L C -2.072 174.689 176.870 -0.182 0.000 1.061 760 L CA -2.364 52.358 54.840 -0.197 0.000 0.799 760 L CB 1.910 43.782 42.059 -0.312 0.000 1.240 760 L HN 0.206 nan 8.230 nan 0.000 0.461 761 P HA 0.104 nan 4.420 nan 0.000 0.271 761 P C -0.011 177.192 177.300 -0.162 0.000 1.226 761 P CA 0.329 63.356 63.100 -0.121 0.000 0.765 761 P CB 1.019 32.672 31.700 -0.079 0.000 0.835 762 S N -0.275 115.334 115.700 -0.151 0.000 2.929 762 S HA -0.113 4.357 4.470 -0.001 0.000 0.271 762 S C 0.172 174.658 174.600 -0.190 0.000 1.295 762 S CA 1.231 59.346 58.200 -0.142 0.000 1.277 762 S CB -1.591 61.550 63.200 -0.100 0.000 1.557 762 S HN 0.402 nan 8.310 nan 0.000 0.666 763 V N 1.105 120.851 119.914 -0.280 0.000 2.697 763 V HA 0.420 4.539 4.120 -0.001 0.000 0.300 763 V C -0.313 175.546 176.094 -0.392 0.000 1.115 763 V CA -0.806 61.281 62.300 -0.355 0.000 0.912 763 V CB 2.112 33.556 31.823 -0.632 0.000 1.024 763 V HN 0.090 nan 8.190 nan 0.000 0.431 764 V N 4.066 123.759 119.914 -0.369 0.000 2.348 764 V HA 0.332 4.451 4.120 -0.001 0.000 0.270 764 V C -0.150 175.721 176.094 -0.371 0.000 1.037 764 V CA -0.371 61.603 62.300 -0.543 0.000 0.872 764 V CB 0.872 32.263 31.823 -0.721 0.000 1.002 764 V HN 0.918 nan 8.190 nan 0.000 0.464 765 H N 4.533 123.340 119.070 -0.438 0.000 2.517 765 H HA 0.571 5.127 4.556 -0.001 0.000 0.317 765 H C -0.329 174.878 175.328 -0.201 0.000 1.080 765 H CA -0.085 55.809 56.048 -0.256 0.000 1.301 765 H CB 1.084 30.728 29.762 -0.196 0.000 1.425 765 H HN 0.696 nan 8.280 nan 0.000 0.471 766 Q N 3.780 123.264 119.800 -0.525 0.000 2.323 766 Q HA 0.400 4.740 4.340 -0.001 0.000 0.271 766 Q C -1.364 174.436 176.000 -0.334 0.000 1.048 766 Q CA -0.901 54.688 55.803 -0.357 0.000 0.792 766 Q CB 1.590 30.226 28.738 -0.171 0.000 1.280 766 Q HN 0.736 nan 8.270 nan 0.000 0.441 767 T N 4.939 119.384 114.554 -0.182 0.000 2.809 767 T HA 0.514 4.864 4.350 -0.001 0.000 0.296 767 T C -0.390 174.341 174.700 0.052 0.000 1.015 767 T CA -0.336 61.776 62.100 0.020 0.000 0.954 767 T CB 0.219 69.271 68.868 0.306 0.000 0.950 767 T HN 0.463 nan 8.240 nan 0.000 0.450 768 I N 3.748 124.361 120.570 0.071 0.000 2.404 768 I HA 0.500 4.669 4.170 -0.001 0.000 0.293 768 I C -0.209 175.966 176.117 0.096 0.000 0.992 768 I CA -0.795 60.546 61.300 0.069 0.000 1.149 768 I CB 1.680 39.711 38.000 0.052 0.000 1.315 768 I HN 0.386 nan 8.210 nan 0.000 0.446 769 M N 5.834 125.491 119.600 0.094 0.000 2.311 769 M HA 0.477 4.956 4.480 -0.001 0.000 0.325 769 M C 0.222 176.567 176.300 0.076 0.000 1.061 769 M CA -0.272 55.086 55.300 0.098 0.000 0.957 769 M CB 2.195 34.868 32.600 0.122 0.000 1.646 769 M HN 0.455 nan 8.290 nan 0.000 0.434 770 R N 1.108 121.647 120.500 0.065 0.000 2.572 770 R HA 0.364 4.704 4.340 -0.001 0.000 0.370 770 R C 0.773 177.104 176.300 0.051 0.000 1.005 770 R CA 0.258 56.391 56.100 0.054 0.000 1.146 770 R CB 1.086 31.412 30.300 0.042 0.000 1.390 770 R HN 1.142 nan 8.270 nan 0.000 0.553 771 G N -0.430 108.403 108.800 0.054 0.000 2.284 771 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.201 771 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.201 771 G C 0.306 175.230 174.900 0.039 0.000 0.998 771 G CA -0.380 44.748 45.100 0.047 0.000 0.651 771 G HN 0.520 nan 8.290 nan 0.000 0.489 772 G N -0.023 108.801 108.800 0.041 0.000 3.252 772 G HA2 0.794 4.753 3.960 -0.001 0.000 0.181 772 G HA3 0.794 4.753 3.960 -0.001 0.000 0.181 772 G C 0.427 175.350 174.900 0.038 0.000 1.187 772 G CA 0.498 45.618 45.100 0.032 0.000 0.886 772 G HN 1.523 nan 8.290 nan 0.000 0.615 773 A N 1.370 124.210 122.820 0.033 0.000 2.540 773 A HA 0.530 4.850 4.320 -0.001 0.000 0.239 773 A C -1.751 175.873 177.584 0.067 0.000 1.061 773 A CA -0.453 51.609 52.037 0.042 0.000 0.758 773 A CB -0.393 18.629 19.000 0.036 0.000 0.991 773 A HN 0.395 nan 8.150 nan 0.000 0.502 774 P HA 0.158 nan 4.420 nan 0.000 0.272 774 P C -0.517 176.860 177.300 0.129 0.000 1.230 774 P CA -0.218 62.952 63.100 0.118 0.000 0.788 774 P CB 0.706 32.501 31.700 0.157 0.000 0.949 775 E N 1.224 121.497 120.200 0.122 0.000 2.179 775 E HA 0.410 4.760 4.350 -0.001 0.000 0.275 775 E C -0.861 175.823 176.600 0.141 0.000 0.945 775 E CA -0.723 55.754 56.400 0.127 0.000 0.792 775 E CB 0.673 30.423 29.700 0.084 0.000 1.125 775 E HN 0.218 nan 8.360 nan 0.000 0.397 776 I N 3.959 124.648 120.570 0.199 0.000 2.441 776 I HA 0.435 4.605 4.170 -0.001 0.000 0.295 776 I C -0.051 176.194 176.117 0.213 0.000 0.994 776 I CA -0.654 60.739 61.300 0.155 0.000 1.144 776 I CB 1.395 39.503 38.000 0.181 0.000 1.314 776 I HN 0.580 nan 8.210 nan 0.000 0.445 777 R N 4.435 124.982 120.500 0.079 0.000 2.621 777 R HA 0.516 4.855 4.340 -0.001 0.000 0.292 777 R C -1.015 175.334 176.300 0.082 0.000 0.969 777 R CA -0.907 55.260 56.100 0.112 0.000 0.887 777 R CB 2.188 32.508 30.300 0.035 0.000 1.180 777 R HN 0.455 nan 8.270 nan 0.000 0.450 778 N N 2.396 121.205 118.700 0.181 0.000 2.442 778 N HA 0.204 4.943 4.740 -0.001 0.000 0.274 778 N C -1.353 174.168 175.510 0.018 0.000 1.002 778 N CA -0.698 52.432 53.050 0.133 0.000 0.910 778 N CB 1.878 40.553 38.487 0.313 0.000 1.244 778 N HN 0.334 nan 8.380 nan 0.000 0.492 779 L N 3.750 124.922 121.223 -0.085 0.000 2.282 779 L HA 0.403 4.742 4.340 -0.001 0.000 0.287 779 L C -1.042 175.753 176.870 -0.124 0.000 1.075 779 L CA -0.501 54.272 54.840 -0.113 0.000 0.839 779 L CB 0.457 42.435 42.059 -0.135 0.000 1.219 779 L HN 0.207 nan 8.230 nan 0.000 0.434 780 V N 4.623 124.468 119.914 -0.114 0.000 2.364 780 V HA 0.383 4.503 4.120 -0.001 0.000 0.272 780 V C -0.433 175.617 176.094 -0.072 0.000 1.036 780 V CA -0.452 61.796 62.300 -0.087 0.000 0.880 780 V CB 1.273 33.074 31.823 -0.037 0.000 0.991 780 V HN 0.711 nan 8.190 nan 0.000 0.460 781 D N 4.042 124.400 120.400 -0.071 0.000 2.375 781 D HA 0.249 4.888 4.640 -0.001 0.000 0.259 781 D C 0.531 176.805 176.300 -0.044 0.000 1.235 781 D CA -0.418 53.550 54.000 -0.052 0.000 0.924 781 D CB 1.252 42.017 40.800 -0.059 0.000 1.143 781 D HN 0.460 nan 8.370 nan 0.000 0.529 782 I N 2.361 122.921 120.570 -0.017 0.000 3.083 782 I HA 0.028 4.197 4.170 -0.001 0.000 0.273 782 I C 1.475 177.585 176.117 -0.013 0.000 1.297 782 I CA 1.070 62.367 61.300 -0.005 0.000 1.452 782 I CB -0.278 37.739 38.000 0.028 0.000 1.078 782 I HN 0.617 nan 8.210 nan 0.000 0.484 783 G N 0.951 109.738 108.800 -0.020 0.000 2.672 783 G HA2 -0.489 3.471 3.960 -0.001 0.000 0.324 783 G HA3 -0.489 3.471 3.960 -0.001 0.000 0.324 783 G C 0.696 175.590 174.900 -0.009 0.000 1.286 783 G CA 0.713 45.800 45.100 -0.022 0.000 1.004 783 G HN 0.699 nan 8.290 nan 0.000 0.548 784 S N -0.571 115.122 115.700 -0.012 0.000 2.574 784 S HA 0.499 4.968 4.470 -0.001 0.000 0.242 784 S C 0.603 175.205 174.600 0.003 0.000 0.982 784 S CA 0.009 58.209 58.200 -0.001 0.000 0.977 784 S CB 0.508 63.708 63.200 -0.001 0.000 0.814 784 S HN 0.629 nan 8.310 nan 0.000 0.464 785 L N 3.774 124.998 121.223 0.002 0.000 2.574 785 L HA 0.328 4.667 4.340 -0.001 0.000 0.281 785 L C -0.206 176.677 176.870 0.021 0.000 1.212 785 L CA 0.207 55.052 54.840 0.008 0.000 1.082 785 L CB -1.510 40.553 42.059 0.008 0.000 1.362 785 L HN 0.227 nan 8.230 nan 0.000 0.451 786 D N 2.788 123.199 120.400 0.019 0.000 2.399 786 D HA 0.053 4.692 4.640 -0.001 0.000 0.241 786 D C 0.769 177.089 176.300 0.032 0.000 1.133 786 D CA 0.227 54.242 54.000 0.025 0.000 0.890 786 D CB 0.302 41.113 40.800 0.019 0.000 1.201 786 D HN 0.295 nan 8.370 nan 0.000 0.432 787 N N 0.511 119.234 118.700 0.039 0.000 2.725 787 N HA -0.176 4.564 4.740 -0.001 0.000 0.251 787 N C -0.981 174.570 175.510 0.067 0.000 1.031 787 N CA 0.849 53.928 53.050 0.049 0.000 0.720 787 N CB -1.130 37.378 38.487 0.035 0.000 0.930 787 N HN 0.287 nan 8.380 nan 0.000 0.543 788 T N 0.417 115.015 114.554 0.074 0.000 2.893 788 T HA 0.436 4.786 4.350 -0.001 0.000 0.293 788 T C -0.287 174.480 174.700 0.112 0.000 1.027 788 T CA -0.699 61.457 62.100 0.092 0.000 0.988 788 T CB 2.313 71.220 68.868 0.065 0.000 1.043 788 T HN 0.027 nan 8.240 nan 0.000 0.461 789 E N 2.345 122.643 120.200 0.162 0.000 2.218 789 E HA 0.435 4.784 4.350 -0.001 0.000 0.263 789 E C -0.748 175.972 176.600 0.201 0.000 0.879 789 E CA -0.604 55.892 56.400 0.161 0.000 0.762 789 E CB 2.268 32.049 29.700 0.134 0.000 1.166 789 E HN 0.489 nan 8.360 nan 0.000 0.415 790 I N 2.915 123.584 120.570 0.167 0.000 2.342 790 I HA 0.233 4.403 4.170 -0.001 0.000 0.291 790 I C -0.206 176.046 176.117 0.226 0.000 1.010 790 I CA -0.753 60.656 61.300 0.182 0.000 1.308 790 I CB 1.329 39.423 38.000 0.157 0.000 1.400 790 I HN 0.195 nan 8.210 nan 0.000 0.488 791 V N 8.140 128.186 119.914 0.221 0.000 2.628 791 V HA 0.520 4.639 4.120 -0.001 0.000 0.306 791 V C -0.489 175.641 176.094 0.059 0.000 1.045 791 V CA -0.718 61.700 62.300 0.197 0.000 0.905 791 V CB 2.043 34.043 31.823 0.296 0.000 0.997 791 V HN 0.762 nan 8.190 nan 0.000 0.436 792 M N 7.224 126.789 119.600 -0.060 0.000 2.205 792 M HA 0.603 5.082 4.480 -0.001 0.000 0.344 792 M C -0.700 175.447 176.300 -0.255 0.000 1.085 792 M CA -0.471 54.560 55.300 -0.449 0.000 1.001 792 M CB 0.825 33.142 32.600 -0.471 0.000 1.626 792 M HN 0.766 nan 8.290 nan 0.000 0.442 793 R N 4.600 124.930 120.500 -0.284 0.000 2.740 793 R HA 0.712 5.052 4.340 -0.001 0.000 0.282 793 R C -2.056 174.150 176.300 -0.156 0.000 0.969 793 R CA -0.646 55.361 56.100 -0.156 0.000 0.918 793 R CB 1.665 31.891 30.300 -0.124 0.000 1.175 793 R HN 0.831 nan 8.270 nan 0.000 0.464 794 L N 3.151 124.270 121.223 -0.173 0.000 2.313 794 L HA 0.433 4.772 4.340 -0.001 0.000 0.283 794 L C -0.550 176.211 176.870 -0.181 0.000 1.013 794 L CA -0.434 54.235 54.840 -0.285 0.000 0.816 794 L CB 1.967 43.810 42.059 -0.359 0.000 1.236 794 L HN 0.612 nan 8.230 nan 0.000 0.419 795 E N 2.194 122.302 120.200 -0.154 0.000 2.145 795 E HA 0.496 4.846 4.350 -0.001 0.000 0.270 795 E C -0.587 175.965 176.600 -0.080 0.000 0.906 795 E CA -0.456 55.907 56.400 -0.062 0.000 0.761 795 E CB 2.103 31.812 29.700 0.015 0.000 1.116 795 E HN 0.626 nan 8.360 nan 0.000 0.408 796 T N -1.149 113.374 114.554 -0.051 0.000 2.742 796 T HA 0.338 4.687 4.350 -0.001 0.000 0.282 796 T C 0.173 174.917 174.700 0.073 0.000 1.025 796 T CA -0.690 61.354 62.100 -0.093 0.000 1.020 796 T CB 1.037 69.860 68.868 -0.075 0.000 1.317 796 T HN 0.585 nan 8.240 nan 0.000 0.538 797 H N -0.842 118.218 119.070 -0.016 0.000 2.592 797 H HA 0.425 4.981 4.556 -0.001 0.000 0.279 797 H C 0.084 175.411 175.328 -0.001 0.000 1.089 797 H CA -0.587 55.456 56.048 -0.007 0.000 1.150 797 H CB 0.168 29.925 29.762 -0.007 0.000 1.575 797 H HN 0.314 nan 8.280 nan 0.000 0.547 798 I N 1.867 122.497 120.570 0.100 0.000 2.683 798 I HA -0.126 4.043 4.170 -0.001 0.000 0.286 798 I C 0.482 176.642 176.117 0.070 0.000 1.175 798 I CA 0.346 61.687 61.300 0.068 0.000 1.429 798 I CB 0.461 38.492 38.000 0.051 0.000 1.371 798 I HN 0.186 nan 8.210 nan 0.000 0.569 799 D N 4.606 125.043 120.400 0.062 0.000 2.741 799 D HA 0.049 4.689 4.640 -0.001 0.000 0.233 799 D C 1.196 177.535 176.300 0.065 0.000 1.160 799 D CA -0.073 53.959 54.000 0.054 0.000 1.003 799 D CB 0.381 41.206 40.800 0.041 0.000 1.064 799 D HN 0.537 nan 8.370 nan 0.000 0.503 800 S N 0.404 116.150 115.700 0.077 0.000 2.496 800 S HA 0.242 4.712 4.470 -0.001 0.000 0.224 800 S C 1.603 176.256 174.600 0.088 0.000 0.996 800 S CA 0.286 58.546 58.200 0.100 0.000 0.927 800 S CB -0.149 63.124 63.200 0.122 0.000 0.774 800 S HN 0.531 nan 8.310 nan 0.000 0.524 801 G N 3.210 112.050 108.800 0.067 0.000 2.574 801 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.301 801 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.301 801 G C 0.156 175.098 174.900 0.069 0.000 1.166 801 G CA 0.590 45.725 45.100 0.058 0.000 0.971 801 G HN 0.768 nan 8.290 nan 0.000 0.542 802 D N 0.159 120.606 120.400 0.078 0.000 2.440 802 D HA 0.353 4.992 4.640 -0.001 0.000 0.216 802 D C 0.683 177.077 176.300 0.156 0.000 1.150 802 D CA -0.245 53.820 54.000 0.109 0.000 0.832 802 D CB 0.274 41.124 40.800 0.083 0.000 0.992 802 D HN 0.449 nan 8.370 nan 0.000 0.502 803 I N 1.494 122.139 120.570 0.125 0.000 2.437 803 I HA 0.500 4.670 4.170 -0.001 0.000 0.298 803 I C -0.051 176.173 176.117 0.177 0.000 0.984 803 I CA -1.116 60.211 61.300 0.045 0.000 1.214 803 I CB 0.564 38.552 38.000 -0.019 0.000 1.365 803 I HN 0.018 nan 8.210 nan 0.000 0.469 804 F N 4.057 123.837 119.950 -0.283 0.000 2.741 804 F HA 0.671 5.197 4.527 -0.001 0.000 0.313 804 F C -2.053 173.419 175.800 -0.547 0.000 1.153 804 F CA -1.183 56.677 58.000 -0.233 0.000 0.931 804 F CB 1.530 40.460 39.000 -0.116 0.000 1.335 804 F HN 0.165 nan 8.300 nan 0.000 0.460 805 Y N 0.250 120.298 120.300 -0.420 0.000 2.425 805 Y HA 0.690 5.239 4.550 -0.001 0.000 0.344 805 Y C 0.006 175.725 175.900 -0.301 0.000 0.969 805 Y CA -0.773 56.954 58.100 -0.622 0.000 1.052 805 Y CB 2.432 40.124 38.460 -1.280 0.000 1.215 805 Y HN 0.864 nan 8.280 nan 0.000 0.451 806 T N -1.379 113.095 114.554 -0.133 0.000 2.896 806 T HA 0.512 4.861 4.350 -0.001 0.000 0.297 806 T C -1.079 173.432 174.700 -0.314 0.000 1.108 806 T CA -1.059 60.983 62.100 -0.097 0.000 1.004 806 T CB 2.080 70.864 68.868 -0.139 0.000 1.159 806 T HN 0.570 nan 8.240 nan 0.000 0.499 807 D N 0.992 121.041 120.400 -0.584 0.000 2.332 807 D HA 0.416 5.055 4.640 -0.001 0.000 0.252 807 D C -0.619 175.412 176.300 -0.449 0.000 1.050 807 D CA -0.850 52.618 54.000 -0.886 0.000 0.970 807 D CB 1.236 41.251 40.800 -1.308 0.000 1.141 807 D HN 0.560 nan 8.370 nan 0.000 0.485 808 L N 0.689 121.698 121.223 -0.358 0.000 2.319 808 L HA 0.228 4.567 4.340 -0.001 0.000 0.281 808 L C -0.143 176.614 176.870 -0.189 0.000 1.005 808 L CA -0.834 53.889 54.840 -0.194 0.000 0.828 808 L CB 0.634 42.643 42.059 -0.083 0.000 1.227 808 L HN 0.435 nan 8.230 nan 0.000 0.415 809 N N 2.124 120.720 118.700 -0.173 0.000 2.708 809 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 809 N C 0.980 176.282 175.510 -0.346 0.000 1.097 809 N CA 0.899 53.842 53.050 -0.180 0.000 0.710 809 N CB -1.069 37.396 38.487 -0.036 0.000 1.032 809 N HN 1.090 nan 8.380 nan 0.000 0.551 810 G N -1.597 106.991 108.800 -0.354 0.000 2.187 810 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.261 810 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.261 810 G C 0.630 175.515 174.900 -0.024 0.000 1.000 810 G CA 0.713 45.624 45.100 -0.315 0.000 0.718 810 G HN 0.504 nan 8.290 nan 0.000 0.519 811 L N -0.624 120.538 121.223 -0.102 0.000 2.467 811 L HA 0.491 4.831 4.340 -0.001 0.000 0.213 811 L C 0.981 177.752 176.870 -0.166 0.000 1.053 811 L CA 1.907 56.617 54.840 -0.217 0.000 0.847 811 L CB 0.151 41.941 42.059 -0.448 0.000 1.075 811 L HN 0.699 nan 8.230 nan 0.000 0.479 812 Q N -1.796 117.909 119.800 -0.160 0.000 2.522 812 Q HA 0.352 4.691 4.340 -0.001 0.000 0.285 812 Q C -1.684 174.220 176.000 -0.161 0.000 0.982 812 Q CA -0.752 55.023 55.803 -0.048 0.000 0.805 812 Q CB 1.102 29.865 28.738 0.042 0.000 1.457 812 Q HN -0.041 nan 8.270 nan 0.000 0.394 813 F N 1.222 121.135 119.950 -0.062 0.000 2.436 813 F HA 0.614 5.140 4.527 -0.001 0.000 0.340 813 F C -0.181 175.583 175.800 -0.061 0.000 1.113 813 F CA -0.830 57.142 58.000 -0.047 0.000 1.022 813 F CB 1.696 40.712 39.000 0.026 0.000 1.128 813 F HN 0.525 nan 8.300 nan 0.000 0.466 814 I N 3.709 124.284 120.570 0.008 0.000 2.474 814 I HA 0.340 4.510 4.170 -0.001 0.000 0.294 814 I C -0.593 175.368 176.117 -0.261 0.000 1.005 814 I CA -0.906 60.343 61.300 -0.086 0.000 1.113 814 I CB 1.386 39.284 38.000 -0.169 0.000 1.289 814 I HN 0.511 nan 8.210 nan 0.000 0.436 815 K N 6.698 126.892 120.400 -0.343 0.000 2.368 815 K HA 0.288 4.607 4.320 -0.001 0.000 0.282 815 K C -0.866 175.260 176.600 -0.789 0.000 1.035 815 K CA -0.388 55.404 56.287 -0.825 0.000 0.973 815 K CB 0.542 32.692 32.500 -0.583 0.000 0.957 815 K HN 0.496 nan 8.250 nan 0.000 0.474 816 R N 3.184 123.037 120.500 -1.078 0.000 2.664 816 R HA 0.350 4.690 4.340 -0.001 0.000 0.286 816 R C -0.549 175.249 176.300 -0.836 0.000 0.967 816 R CA -0.786 54.614 56.100 -1.166 0.000 0.933 816 R CB 1.539 30.572 30.300 -2.112 0.000 1.146 816 R HN 0.681 nan 8.270 nan 0.000 0.468 817 R N 1.615 121.854 120.500 -0.434 0.000 2.451 817 R HA 0.288 4.627 4.340 -0.001 0.000 0.307 817 R C -0.517 175.852 176.300 0.115 0.000 0.965 817 R CA -0.656 55.374 56.100 -0.118 0.000 0.865 817 R CB 1.437 31.698 30.300 -0.064 0.000 1.174 817 R HN 0.546 nan 8.270 nan 0.000 0.455 818 R N 4.991 125.671 120.500 0.301 0.000 2.484 818 R HA 0.096 4.435 4.340 -0.001 0.000 0.293 818 R C -0.941 175.453 176.300 0.157 0.000 1.023 818 R CA 0.261 56.556 56.100 0.326 0.000 1.037 818 R CB 0.385 30.839 30.300 0.256 0.000 0.951 818 R HN 0.546 nan 8.270 nan 0.000 0.418 819 L N 5.202 126.493 121.223 0.113 0.000 2.316 819 L HA 0.214 4.553 4.340 -0.001 0.000 0.280 819 L C 0.227 177.091 176.870 -0.010 0.000 1.006 819 L CA -0.690 54.170 54.840 0.033 0.000 0.836 819 L CB 1.918 43.966 42.059 -0.020 0.000 1.221 819 L HN 0.665 nan 8.230 nan 0.000 0.418 820 D N 1.696 122.098 120.400 0.002 0.000 2.348 820 D HA -0.123 4.516 4.640 -0.001 0.000 0.216 820 D C 1.675 177.957 176.300 -0.029 0.000 0.970 820 D CA 0.838 54.833 54.000 -0.009 0.000 0.889 820 D CB 0.345 41.149 40.800 0.006 0.000 0.912 820 D HN 0.567 nan 8.370 nan 0.000 0.524 821 K N 0.175 120.550 120.400 -0.042 0.000 2.486 821 K HA 0.030 4.350 4.320 -0.001 0.000 0.194 821 K C 0.701 177.240 176.600 -0.101 0.000 1.033 821 K CA 0.314 56.575 56.287 -0.044 0.000 1.004 821 K CB 0.368 32.859 32.500 -0.016 0.000 0.798 821 K HN 0.098 nan 8.250 nan 0.000 0.495 822 L N 2.405 123.531 121.223 -0.162 0.000 2.330 822 L HA 0.459 4.798 4.340 -0.001 0.000 0.271 822 L C -2.230 174.528 176.870 -0.185 0.000 1.013 822 L CA -2.899 51.800 54.840 -0.235 0.000 0.816 822 L CB 1.476 43.298 42.059 -0.396 0.000 1.287 822 L HN -0.047 nan 8.230 nan 0.000 0.435 823 P HA 0.014 nan 4.420 nan 0.000 0.272 823 P C 0.859 178.023 177.300 -0.227 0.000 1.240 823 P CA -0.348 62.645 63.100 -0.177 0.000 0.791 823 P CB 1.279 32.899 31.700 -0.134 0.000 0.978 824 L N 0.954 122.072 121.223 -0.175 0.000 2.021 824 L HA -0.282 4.058 4.340 -0.001 0.000 0.215 824 L C 2.556 179.316 176.870 -0.183 0.000 1.074 824 L CA 1.924 56.680 54.840 -0.141 0.000 0.760 824 L CB -0.650 41.319 42.059 -0.150 0.000 0.889 824 L HN 0.432 nan 8.230 nan 0.000 0.433 825 Q N -0.373 119.209 119.800 -0.364 0.000 2.291 825 Q HA -0.171 4.168 4.340 -0.001 0.000 0.206 825 Q C 1.880 177.767 176.000 -0.189 0.000 0.976 825 Q CA 1.517 57.141 55.803 -0.299 0.000 0.875 825 Q CB -0.543 27.971 28.738 -0.374 0.000 0.927 825 Q HN 0.608 nan 8.270 nan 0.000 0.450 826 A N 1.451 123.946 122.820 -0.541 0.000 2.067 826 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 826 A C 1.634 179.031 177.584 -0.313 0.000 1.156 826 A CA 0.698 52.268 52.037 -0.778 0.000 0.683 826 A CB -0.173 17.971 19.000 -1.427 0.000 0.808 826 A HN 0.336 nan 8.150 nan 0.000 0.455 827 N N -1.105 117.519 118.700 -0.126 0.000 2.398 827 N HA 0.054 4.793 4.740 -0.001 0.000 0.188 827 N C -0.846 174.746 175.510 0.137 0.000 1.122 827 N CA 0.207 53.296 53.050 0.066 0.000 0.866 827 N CB 0.060 38.640 38.487 0.154 0.000 0.970 827 N HN 0.446 nan 8.380 nan 0.000 0.462 828 Y N 0.228 120.472 120.300 -0.093 0.000 2.299 828 Y HA 0.221 4.771 4.550 -0.001 0.000 0.326 828 Y C -0.169 175.661 175.900 -0.117 0.000 1.164 828 Y CA -0.209 57.926 58.100 0.058 0.000 1.234 828 Y CB 0.413 38.986 38.460 0.188 0.000 1.219 828 Y HN -0.067 nan 8.280 nan 0.000 0.497 829 Y N 2.844 123.283 120.300 0.232 0.000 2.609 829 Y HA 0.441 4.990 4.550 -0.001 0.000 0.342 829 Y C -2.307 173.291 175.900 -0.504 0.000 1.058 829 Y CA -2.862 55.226 58.100 -0.020 0.000 1.055 829 Y CB 1.559 39.998 38.460 -0.036 0.000 1.292 829 Y HN 0.444 nan 8.280 nan 0.000 0.476 830 P HA 0.097 nan 4.420 nan 0.000 0.268 830 P C -0.694 176.360 177.300 -0.409 0.000 1.204 830 P CA 0.338 62.840 63.100 -0.995 0.000 0.768 830 P CB 0.469 31.528 31.700 -1.068 0.000 0.842 831 I N 5.394 125.807 120.570 -0.262 0.000 2.778 831 I HA 0.162 4.331 4.170 -0.001 0.000 0.285 831 I C -1.634 174.411 176.117 -0.119 0.000 1.236 831 I CA -2.462 58.759 61.300 -0.132 0.000 1.089 831 I CB 0.817 38.797 38.000 -0.033 0.000 1.601 831 I HN 0.211 nan 8.210 nan 0.000 0.573 832 P HA -0.075 nan 4.420 nan 0.000 0.221 832 P C 0.986 178.252 177.300 -0.056 0.000 1.150 832 P CA 1.287 64.313 63.100 -0.123 0.000 0.800 832 P CB 0.600 32.198 31.700 -0.170 0.000 0.787 833 S N -3.619 112.052 115.700 -0.048 0.000 2.551 833 S HA 0.438 4.907 4.470 -0.001 0.000 0.276 833 S C 0.514 175.202 174.600 0.146 0.000 1.051 833 S CA 0.261 58.492 58.200 0.050 0.000 1.377 833 S CB 0.272 63.524 63.200 0.086 0.000 1.208 833 S HN 0.336 nan 8.310 nan 0.000 0.656 834 G N 1.637 110.524 108.800 0.145 0.000 2.547 834 G HA2 0.576 4.535 3.960 -0.001 0.000 0.291 834 G HA3 0.576 4.535 3.960 -0.001 0.000 0.291 834 G C -1.418 173.734 174.900 0.420 0.000 1.471 834 G CA -0.479 44.841 45.100 0.367 0.000 0.798 834 G HN 0.861 nan 8.290 nan 0.000 0.504 835 M N -0.369 119.499 119.600 0.448 0.000 2.520 835 M HA 0.902 5.382 4.480 -0.001 0.000 0.280 835 M C -1.707 174.837 176.300 0.406 0.000 1.232 835 M CA -1.025 54.497 55.300 0.370 0.000 0.892 835 M CB 2.585 35.314 32.600 0.214 0.000 1.728 835 M HN 1.181 nan 8.290 nan 0.000 0.475 836 F N 0.900 121.000 119.950 0.250 0.000 2.713 836 F HA 0.900 5.427 4.527 -0.001 0.000 0.311 836 F C -1.935 173.998 175.800 0.222 0.000 1.141 836 F CA -1.212 56.874 58.000 0.144 0.000 0.939 836 F CB 1.083 40.080 39.000 -0.005 0.000 1.325 836 F HN 0.788 nan 8.300 nan 0.000 0.453 837 I N -0.203 120.616 120.570 0.415 0.000 2.828 837 I HA 0.895 5.065 4.170 -0.001 0.000 0.302 837 I C -1.417 174.893 176.117 0.322 0.000 1.101 837 I CA -0.915 60.587 61.300 0.336 0.000 1.031 837 I CB 2.430 40.543 38.000 0.188 0.000 1.231 837 I HN 0.953 nan 8.210 nan 0.000 0.427 838 E N 1.891 122.261 120.200 0.283 0.000 2.423 838 E HA 0.545 4.894 4.350 -0.001 0.000 0.280 838 E C -2.059 174.625 176.600 0.140 0.000 1.030 838 E CA -0.848 55.659 56.400 0.179 0.000 0.812 838 E CB 2.164 31.961 29.700 0.161 0.000 1.313 838 E HN 0.726 nan 8.360 nan 0.000 0.456 839 D N 0.439 120.890 120.400 0.085 0.000 2.808 839 D HA 0.470 5.109 4.640 -0.001 0.000 0.249 839 D C 0.835 177.165 176.300 0.050 0.000 1.151 839 D CA -0.200 53.843 54.000 0.072 0.000 1.089 839 D CB -0.072 40.762 40.800 0.056 0.000 1.295 839 D HN 0.449 nan 8.370 nan 0.000 0.631 840 A N -0.824 122.019 122.820 0.037 0.000 2.015 840 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 840 A C 1.467 179.055 177.584 0.007 0.000 1.163 840 A CA 1.332 53.383 52.037 0.023 0.000 0.646 840 A CB -0.680 18.332 19.000 0.020 0.000 0.806 840 A HN 0.499 nan 8.150 nan 0.000 0.448 841 N N -1.600 117.104 118.700 0.006 0.000 2.397 841 N HA 0.061 4.800 4.740 -0.001 0.000 0.190 841 N C -0.366 175.132 175.510 -0.018 0.000 1.099 841 N CA 0.728 53.773 53.050 -0.008 0.000 0.876 841 N CB 0.590 39.074 38.487 -0.005 0.000 1.143 841 N HN 0.298 nan 8.380 nan 0.000 0.468 842 T N 0.665 115.214 114.554 -0.009 0.000 2.876 842 T HA 0.477 4.826 4.350 -0.001 0.000 0.289 842 T C -0.455 174.236 174.700 -0.014 0.000 1.014 842 T CA -0.646 61.442 62.100 -0.020 0.000 0.986 842 T CB 2.864 71.724 68.868 -0.012 0.000 1.021 842 T HN -0.024 nan 8.240 nan 0.000 0.458 843 R N 1.767 122.242 120.500 -0.043 0.000 2.686 843 R HA 0.728 5.067 4.340 -0.001 0.000 0.283 843 R C -1.997 174.278 176.300 -0.042 0.000 0.978 843 R CA -0.902 55.174 56.100 -0.040 0.000 0.897 843 R CB 1.308 31.516 30.300 -0.153 0.000 1.192 843 R HN 0.461 nan 8.270 nan 0.000 0.457 844 L N 2.563 123.792 121.223 0.010 0.000 2.349 844 L HA 0.510 4.849 4.340 -0.001 0.000 0.278 844 L C -1.352 175.555 176.870 0.061 0.000 0.996 844 L CA 0.090 54.929 54.840 -0.002 0.000 0.825 844 L CB 2.284 44.332 42.059 -0.019 0.000 1.243 844 L HN 0.653 nan 8.230 nan 0.000 0.412 845 T N 5.684 120.254 114.554 0.027 0.000 2.807 845 T HA 0.580 4.929 4.350 -0.001 0.000 0.279 845 T C -1.110 173.656 174.700 0.110 0.000 0.993 845 T CA -0.278 61.880 62.100 0.097 0.000 0.970 845 T CB 1.424 70.273 68.868 -0.032 0.000 0.950 845 T HN 0.468 nan 8.240 nan 0.000 0.441 846 L N 5.071 126.398 121.223 0.174 0.000 2.319 846 L HA 0.561 4.900 4.340 -0.001 0.000 0.281 846 L C -1.375 175.647 176.870 0.254 0.000 1.005 846 L CA -0.699 54.254 54.840 0.188 0.000 0.828 846 L CB 0.584 42.734 42.059 0.152 0.000 1.227 846 L HN 0.404 nan 8.230 nan 0.000 0.415 847 L N 3.787 125.163 121.223 0.256 0.000 2.334 847 L HA 0.681 5.020 4.340 -0.001 0.000 0.275 847 L C 0.497 177.519 176.870 0.255 0.000 1.036 847 L CA -0.272 54.716 54.840 0.246 0.000 0.807 847 L CB 1.532 43.702 42.059 0.185 0.000 1.231 847 L HN 0.779 nan 8.230 nan 0.000 0.438 848 T N -2.501 112.150 114.554 0.160 0.000 2.908 848 T HA 0.631 4.980 4.350 -0.001 0.000 0.290 848 T C 0.588 175.246 174.700 -0.069 0.000 1.034 848 T CA -0.289 61.809 62.100 -0.004 0.000 1.010 848 T CB 1.956 70.828 68.868 0.007 0.000 1.068 848 T HN 0.676 nan 8.240 nan 0.000 0.481 849 G N 1.211 109.897 108.800 -0.190 0.000 3.434 849 G HA2 0.436 4.396 3.960 -0.001 0.000 0.258 849 G HA3 0.436 4.396 3.960 -0.001 0.000 0.258 849 G C 0.119 174.961 174.900 -0.097 0.000 1.128 849 G CA -0.345 44.688 45.100 -0.113 0.000 0.792 849 G HN 0.955 nan 8.290 nan 0.000 0.539 850 Q N -0.177 119.558 119.800 -0.109 0.000 2.479 850 Q HA 0.324 4.664 4.340 -0.001 0.000 0.276 850 Q C -3.558 172.406 176.000 -0.060 0.000 0.989 850 Q CA -2.233 53.532 55.803 -0.064 0.000 0.864 850 Q CB 1.888 30.608 28.738 -0.031 0.000 1.444 850 Q HN 0.003 nan 8.270 nan 0.000 0.388 851 P HA 0.522 nan 4.420 nan 0.000 0.280 851 P C -0.674 176.613 177.300 -0.021 0.000 1.244 851 P CA -0.229 62.853 63.100 -0.029 0.000 0.784 851 P CB 1.161 32.849 31.700 -0.020 0.000 0.913 852 L N 1.258 122.463 121.223 -0.030 0.000 2.600 852 L HA 0.661 5.001 4.340 -0.001 0.000 0.257 852 L C 0.591 177.475 176.870 0.023 0.000 1.048 852 L CA -1.106 53.739 54.840 0.008 0.000 0.869 852 L CB 2.132 44.180 42.059 -0.019 0.000 1.482 852 L HN 0.370 nan 8.230 nan 0.000 0.408 853 G N -1.020 107.848 108.800 0.113 0.000 2.412 853 G HA2 0.721 4.680 3.960 -0.001 0.000 0.318 853 G HA3 0.721 4.680 3.960 -0.001 0.000 0.318 853 G C -0.569 174.330 174.900 -0.002 0.000 1.146 853 G CA 0.058 45.267 45.100 0.182 0.000 0.882 853 G HN 0.878 nan 8.290 nan 0.000 0.501 854 G N -1.503 107.110 108.800 -0.311 0.000 2.548 854 G HA2 0.708 4.667 3.960 -0.001 0.000 0.301 854 G HA3 0.708 4.667 3.960 -0.001 0.000 0.301 854 G C -1.096 173.345 174.900 -0.765 0.000 1.349 854 G CA 0.514 45.237 45.100 -0.628 0.000 0.792 854 G HN 1.400 nan 8.290 nan 0.000 0.481 855 S N -2.060 113.289 115.700 -0.584 0.000 2.669 855 S HA 0.687 5.157 4.470 -0.001 0.000 0.266 855 S C -1.686 172.488 174.600 -0.709 0.000 1.149 855 S CA 0.453 58.319 58.200 -0.556 0.000 0.842 855 S CB 1.096 64.033 63.200 -0.439 0.000 1.160 855 S HN 1.675 nan 8.310 nan 0.000 0.487 856 S N 1.506 116.504 115.700 -1.169 0.000 2.652 856 S HA 0.479 4.949 4.470 -0.001 0.000 0.252 856 S C 0.084 174.402 174.600 -0.470 0.000 1.219 856 S CA -0.630 57.116 58.200 -0.757 0.000 1.151 856 S CB 0.021 62.705 63.200 -0.859 0.000 1.080 856 S HN 0.570 nan 8.310 nan 0.000 0.481 857 L N 3.032 124.133 121.223 -0.203 0.000 2.591 857 L HA 0.495 4.835 4.340 -0.001 0.000 0.228 857 L C 0.858 177.710 176.870 -0.030 0.000 1.133 857 L CA 0.295 55.097 54.840 -0.064 0.000 0.880 857 L CB -0.019 42.065 42.059 0.042 0.000 1.033 857 L HN 0.699 nan 8.230 nan 0.000 0.450 858 A N -1.177 121.615 122.820 -0.047 0.000 2.604 858 A HA 0.447 4.767 4.320 -0.001 0.000 0.295 858 A C -0.438 177.138 177.584 -0.012 0.000 1.067 858 A CA -0.449 51.581 52.037 -0.012 0.000 0.683 858 A CB 1.220 20.221 19.000 0.001 0.000 1.281 858 A HN -0.133 nan 8.150 nan 0.000 0.407 859 S N 0.062 115.769 115.700 0.012 0.000 2.558 859 S HA 0.403 4.873 4.470 -0.001 0.000 0.293 859 S C 1.520 176.137 174.600 0.028 0.000 1.292 859 S CA 1.883 60.099 58.200 0.027 0.000 1.063 859 S CB -0.006 63.214 63.200 0.033 0.000 0.831 859 S HN 2.664 nan 8.310 nan 0.000 0.499 860 G N 3.370 112.190 108.800 0.034 0.000 2.176 860 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.253 860 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.253 860 G C -0.173 174.728 174.900 0.001 0.000 0.979 860 G CA 0.450 45.572 45.100 0.037 0.000 0.641 860 G HN 0.721 nan 8.290 nan 0.000 0.530 861 E N -0.557 119.627 120.200 -0.025 0.000 2.221 861 E HA 0.792 5.142 4.350 -0.001 0.000 0.268 861 E C -0.264 176.277 176.600 -0.098 0.000 0.933 861 E CA -0.777 55.586 56.400 -0.062 0.000 0.809 861 E CB 1.867 31.529 29.700 -0.063 0.000 1.190 861 E HN 0.234 nan 8.360 nan 0.000 0.406 862 L N 1.617 122.777 121.223 -0.106 0.000 2.422 862 L HA 0.456 4.795 4.340 -0.001 0.000 0.264 862 L C -0.780 176.025 176.870 -0.109 0.000 0.984 862 L CA -0.655 54.117 54.840 -0.114 0.000 0.819 862 L CB 2.116 44.139 42.059 -0.061 0.000 1.330 862 L HN 0.667 nan 8.230 nan 0.000 0.410 863 E N 3.174 123.302 120.200 -0.120 0.000 2.366 863 E HA 0.724 5.074 4.350 -0.001 0.000 0.278 863 E C -1.578 174.974 176.600 -0.079 0.000 0.923 863 E CA -0.837 55.521 56.400 -0.071 0.000 0.761 863 E CB 3.410 33.111 29.700 0.002 0.000 1.231 863 E HN 0.543 nan 8.360 nan 0.000 0.443 864 I N 2.419 122.980 120.570 -0.015 0.000 2.610 864 I HA 0.321 4.491 4.170 -0.001 0.000 0.289 864 I C -1.403 174.777 176.117 0.105 0.000 1.163 864 I CA -1.149 60.162 61.300 0.019 0.000 1.044 864 I CB 1.937 39.956 38.000 0.031 0.000 1.251 864 I HN 0.803 nan 8.210 nan 0.000 0.424 865 M N 6.381 126.082 119.600 0.168 0.000 2.228 865 M HA 0.205 4.684 4.480 -0.001 0.000 0.351 865 M C 0.589 176.990 176.300 0.168 0.000 1.233 865 M CA 0.641 56.051 55.300 0.183 0.000 1.129 865 M CB 0.896 33.580 32.600 0.140 0.000 1.604 865 M HN 0.584 nan 8.290 nan 0.000 0.457 866 Q N 1.511 121.445 119.800 0.224 0.000 2.304 866 Q HA 0.242 4.581 4.340 -0.001 0.000 0.204 866 Q C -0.219 175.988 176.000 0.345 0.000 0.936 866 Q CA 0.869 56.870 55.803 0.330 0.000 0.878 866 Q CB 0.345 29.308 28.738 0.374 0.000 0.983 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.925 119.609 120.400 0.224 0.000 2.671 867 D HA 0.285 4.924 4.640 -0.001 0.000 0.273 867 D C -1.407 174.965 176.300 0.119 0.000 1.264 867 D CA -0.472 53.635 54.000 0.180 0.000 0.788 867 D CB 1.501 42.394 40.800 0.155 0.000 1.324 867 D HN 0.040 nan 8.370 nan 0.000 0.424 868 R N 0.704 121.262 120.500 0.097 0.000 2.584 868 R HA 0.668 5.008 4.340 -0.001 0.000 0.276 868 R C -1.042 175.302 176.300 0.072 0.000 1.046 868 R CA -1.053 55.089 56.100 0.070 0.000 0.906 868 R CB 2.125 32.440 30.300 0.025 0.000 1.215 868 R HN 0.316 nan 8.270 nan 0.000 0.449 869 R N 3.817 124.357 120.500 0.066 0.000 2.435 869 R HA 0.441 4.780 4.340 -0.001 0.000 0.308 869 R C -1.448 174.885 176.300 0.054 0.000 0.975 869 R CA -0.554 55.581 56.100 0.058 0.000 0.867 869 R CB 1.183 31.514 30.300 0.050 0.000 1.171 869 R HN 0.705 nan 8.270 nan 0.000 0.470 870 L N 4.092 125.346 121.223 0.051 0.000 2.356 870 L HA 0.536 4.875 4.340 -0.001 0.000 0.277 870 L C 0.891 177.784 176.870 0.038 0.000 0.996 870 L CA -0.559 54.309 54.840 0.046 0.000 0.822 870 L CB 2.100 44.188 42.059 0.048 0.000 1.256 870 L HN 0.801 nan 8.230 nan 0.000 0.413 871 A N 1.744 124.582 122.820 0.031 0.000 2.016 871 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 871 A C 1.015 178.613 177.584 0.023 0.000 1.162 871 A CA 0.750 52.802 52.037 0.025 0.000 0.662 871 A CB -0.036 18.975 19.000 0.018 0.000 0.812 871 A HN 0.637 nan 8.150 nan 0.000 0.450 872 S N -0.200 115.514 115.700 0.024 0.000 2.651 872 S HA 0.422 4.892 4.470 -0.001 0.000 0.291 872 S C -0.593 174.025 174.600 0.030 0.000 1.141 872 S CA -0.654 57.559 58.200 0.022 0.000 1.027 872 S CB 1.444 64.652 63.200 0.014 0.000 1.043 872 S HN 0.484 nan 8.310 nan 0.000 0.530 873 D N 0.208 120.626 120.400 0.031 0.000 2.304 873 D HA 0.233 4.873 4.640 -0.001 0.000 0.247 873 D C -0.224 176.097 176.300 0.035 0.000 1.089 873 D CA -0.450 53.578 54.000 0.046 0.000 0.910 873 D CB 0.675 41.501 40.800 0.043 0.000 1.199 873 D HN 0.494 nan 8.370 nan 0.000 0.426 874 D N 2.018 122.446 120.400 0.047 0.000 2.525 874 D HA 0.063 4.702 4.640 -0.001 0.000 0.229 874 D C -0.396 175.874 176.300 -0.050 0.000 1.202 874 D CA -0.316 53.681 54.000 -0.005 0.000 0.828 874 D CB -0.506 40.282 40.800 -0.020 0.000 1.008 874 D HN 0.686 nan 8.370 nan 0.000 0.493 875 E N -0.163 120.032 120.200 -0.009 0.000 2.586 875 E HA -0.230 4.119 4.350 -0.001 0.000 0.259 875 E C 0.153 176.725 176.600 -0.046 0.000 1.107 875 E CA 0.215 56.607 56.400 -0.013 0.000 0.754 875 E CB -0.774 28.915 29.700 -0.020 0.000 1.335 875 E HN 0.213 nan 8.360 nan 0.000 0.411 876 R N -0.496 119.950 120.500 -0.089 0.000 2.586 876 R HA 0.217 4.557 4.340 -0.001 0.000 0.336 876 R C 1.306 177.678 176.300 0.121 0.000 1.060 876 R CA 0.570 56.540 56.100 -0.216 0.000 1.079 876 R CB 0.770 30.470 30.300 -1.000 0.000 1.317 876 R HN 0.428 nan 8.270 nan 0.000 0.568 877 G N 0.796 109.740 108.800 0.240 0.000 2.194 877 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.236 877 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.236 877 G C 0.784 175.814 174.900 0.217 0.000 0.987 877 G CA 0.329 45.649 45.100 0.368 0.000 0.635 877 G HN 0.343 nan 8.290 nan 0.000 0.520 878 L N 1.276 122.725 121.223 0.376 0.000 2.093 878 L HA 0.438 4.777 4.340 -0.001 0.000 0.208 878 L C 2.250 179.115 176.870 -0.009 0.000 1.085 878 L CA 2.819 57.765 54.840 0.176 0.000 0.755 878 L CB -0.617 41.680 42.059 0.396 0.000 0.904 878 L HN 1.732 nan 8.230 nan 0.000 0.435 879 G N -0.618 108.208 108.800 0.045 0.000 2.143 879 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.248 879 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.248 879 G C 0.104 175.013 174.900 0.015 0.000 0.991 879 G CA 0.631 45.736 45.100 0.008 0.000 0.689 879 G HN 0.805 nan 8.290 nan 0.000 0.522 880 Q N -2.068 117.755 119.800 0.040 0.000 2.687 880 Q HA 0.665 5.004 4.340 -0.001 0.000 0.295 880 Q C 0.343 176.372 176.000 0.049 0.000 0.920 880 Q CA -0.573 55.252 55.803 0.036 0.000 0.766 880 Q CB 0.402 29.159 28.738 0.030 0.000 1.467 880 Q HN 0.982 nan 8.270 nan 0.000 0.415 881 G N -0.044 108.780 108.800 0.041 0.000 2.509 881 G HA2 0.529 4.488 3.960 -0.001 0.000 0.269 881 G HA3 0.529 4.488 3.960 -0.001 0.000 0.269 881 G C -0.995 173.933 174.900 0.047 0.000 1.416 881 G CA -0.666 44.460 45.100 0.043 0.000 1.052 881 G HN 0.398 nan 8.290 nan 0.000 0.542 882 V N 0.877 120.821 119.914 0.049 0.000 2.305 882 V HA 0.332 4.452 4.120 -0.001 0.000 0.275 882 V C 0.059 176.187 176.094 0.057 0.000 1.020 882 V CA -0.160 62.176 62.300 0.059 0.000 0.811 882 V CB 0.884 32.745 31.823 0.064 0.000 1.031 882 V HN 0.540 nan 8.190 nan 0.000 0.439 883 L N 3.317 124.571 121.223 0.053 0.000 3.229 883 L HA 0.323 4.662 4.340 -0.001 0.000 0.286 883 L C 0.593 177.490 176.870 0.045 0.000 1.239 883 L CA 0.001 54.867 54.840 0.044 0.000 1.035 883 L CB 0.665 42.744 42.059 0.034 0.000 1.408 883 L HN 0.649 nan 8.230 nan 0.000 0.593 884 D N -2.022 118.414 120.400 0.059 0.000 2.525 884 D HA 0.058 4.697 4.640 -0.001 0.000 0.229 884 D C 0.159 176.499 176.300 0.066 0.000 1.202 884 D CA -0.435 53.600 54.000 0.059 0.000 0.828 884 D CB -0.398 40.446 40.800 0.072 0.000 1.008 884 D HN 0.092 nan 8.370 nan 0.000 0.493 885 N N 1.636 120.373 118.700 0.062 0.000 2.374 885 N HA 0.135 4.874 4.740 -0.001 0.000 0.241 885 N C 0.215 175.733 175.510 0.014 0.000 1.262 885 N CA 0.292 53.379 53.050 0.061 0.000 0.880 885 N CB 0.668 39.188 38.487 0.055 0.000 1.105 885 N HN 0.307 nan 8.380 nan 0.000 0.438 886 K N -0.738 119.657 120.400 -0.008 0.000 2.536 886 K HA 0.536 4.855 4.320 -0.001 0.000 0.269 886 K C -3.270 173.300 176.600 -0.050 0.000 0.965 886 K CA -1.982 54.257 56.287 -0.080 0.000 0.860 886 K CB 1.138 33.507 32.500 -0.219 0.000 1.423 886 K HN 0.122 nan 8.250 nan 0.000 0.438 887 P HA -0.041 nan 4.420 nan 0.000 0.262 887 P C -1.015 176.300 177.300 0.024 0.000 1.182 887 P CA -0.363 62.713 63.100 -0.040 0.000 0.761 887 P CB 0.693 32.357 31.700 -0.060 0.000 0.795 888 V N 5.132 125.028 119.914 -0.029 0.000 2.841 888 V HA 0.513 4.632 4.120 -0.001 0.000 0.310 888 V C -1.472 174.496 176.094 -0.210 0.000 1.090 888 V CA -1.099 61.167 62.300 -0.056 0.000 0.930 888 V CB 2.181 33.952 31.823 -0.087 0.000 1.014 888 V HN 0.273 nan 8.190 nan 0.000 0.425 889 L N 6.726 127.849 121.223 -0.166 0.000 2.272 889 L HA 0.614 4.954 4.340 -0.001 0.000 0.284 889 L C -0.441 176.406 176.870 -0.038 0.000 1.045 889 L CA 0.116 54.892 54.840 -0.107 0.000 0.842 889 L CB 0.423 42.439 42.059 -0.072 0.000 1.224 889 L HN 0.725 nan 8.230 nan 0.000 0.430 890 H N 5.673 124.760 119.070 0.029 0.000 2.525 890 H HA 0.516 5.071 4.556 -0.001 0.000 0.339 890 H C -0.126 175.112 175.328 -0.150 0.000 1.109 890 H CA -0.197 55.817 56.048 -0.057 0.000 1.352 890 H CB 1.301 31.105 29.762 0.070 0.000 1.461 890 H HN 0.695 nan 8.280 nan 0.000 0.533 891 I N 0.103 120.508 120.570 -0.275 0.000 2.785 891 I HA 0.615 4.784 4.170 -0.001 0.000 0.302 891 I C -1.417 174.354 176.117 -0.577 0.000 1.069 891 I CA -0.960 60.202 61.300 -0.230 0.000 1.045 891 I CB 2.240 40.196 38.000 -0.073 0.000 1.236 891 I HN 0.246 nan 8.210 nan 0.000 0.429 892 Y N 2.123 122.476 120.300 0.088 0.000 2.670 892 Y HA 0.707 5.256 4.550 -0.001 0.000 0.334 892 Y C -0.643 175.314 175.900 0.096 0.000 1.185 892 Y CA -1.096 57.063 58.100 0.098 0.000 1.053 892 Y CB 1.482 40.022 38.460 0.132 0.000 1.298 892 Y HN 0.416 nan 8.280 nan 0.000 0.459 893 R N 1.325 121.995 120.500 0.284 0.000 2.686 893 R HA 0.609 4.948 4.340 -0.001 0.000 0.286 893 R C -1.974 174.443 176.300 0.196 0.000 0.969 893 R CA -1.098 55.117 56.100 0.192 0.000 0.898 893 R CB 2.475 32.847 30.300 0.121 0.000 1.183 893 R HN 0.657 nan 8.270 nan 0.000 0.456 894 L N 2.623 123.940 121.223 0.157 0.000 2.342 894 L HA 0.436 4.776 4.340 -0.001 0.000 0.276 894 L C -1.244 175.656 176.870 0.051 0.000 0.997 894 L CA -0.545 54.362 54.840 0.112 0.000 0.838 894 L CB 1.797 43.934 42.059 0.130 0.000 1.224 894 L HN 0.306 nan 8.230 nan 0.000 0.416 895 V N 6.166 126.095 119.914 0.024 0.000 2.313 895 V HA 0.392 4.511 4.120 -0.001 0.000 0.278 895 V C -0.240 175.829 176.094 -0.042 0.000 1.017 895 V CA -0.566 61.727 62.300 -0.010 0.000 0.823 895 V CB 1.302 33.111 31.823 -0.023 0.000 1.010 895 V HN 0.643 nan 8.190 nan 0.000 0.443 896 L N 5.384 126.578 121.223 -0.048 0.000 2.289 896 L HA 0.681 5.021 4.340 -0.001 0.000 0.285 896 L C -0.123 176.707 176.870 -0.067 0.000 1.049 896 L CA 0.704 55.506 54.840 -0.063 0.000 0.804 896 L CB 1.058 43.076 42.059 -0.068 0.000 1.195 896 L HN 0.727 nan 8.230 nan 0.000 0.428 897 E N 3.482 123.635 120.200 -0.078 0.000 2.383 897 E HA 0.440 4.789 4.350 -0.001 0.000 0.275 897 E C -1.291 175.262 176.600 -0.079 0.000 0.918 897 E CA -1.185 55.165 56.400 -0.083 0.000 0.764 897 E CB 1.549 31.182 29.700 -0.111 0.000 1.252 897 E HN 0.275 nan 8.360 nan 0.000 0.449 898 K N 1.356 121.713 120.400 -0.071 0.000 2.234 898 K HA 0.219 4.539 4.320 -0.001 0.000 0.282 898 K C 0.356 176.911 176.600 -0.074 0.000 1.039 898 K CA -0.192 56.057 56.287 -0.062 0.000 0.928 898 K CB 1.333 33.802 32.500 -0.052 0.000 1.039 898 K HN 0.468 nan 8.250 nan 0.000 0.470 899 V N -0.564 119.307 119.914 -0.072 0.000 3.253 899 V HA 0.031 4.151 4.120 -0.001 0.000 0.320 899 V C 1.119 177.176 176.094 -0.060 0.000 1.442 899 V CA -0.310 61.939 62.300 -0.085 0.000 1.097 899 V CB -0.278 31.478 31.823 -0.113 0.000 1.008 899 V HN 0.611 nan 8.190 nan 0.000 0.463 900 N N 1.358 120.031 118.700 -0.044 0.000 2.364 900 N HA -0.155 4.584 4.740 -0.001 0.000 0.183 900 N C 0.993 176.482 175.510 -0.034 0.000 1.022 900 N CA 1.479 54.510 53.050 -0.032 0.000 0.883 900 N CB -0.479 37.994 38.487 -0.023 0.000 0.965 900 N HN 0.535 nan 8.380 nan 0.000 0.438 901 N N 0.076 118.750 118.700 -0.043 0.000 2.280 901 N HA 0.075 4.814 4.740 -0.001 0.000 0.192 901 N C -0.264 175.215 175.510 -0.051 0.000 1.109 901 N CA -0.118 52.907 53.050 -0.043 0.000 0.855 901 N CB 0.098 38.559 38.487 -0.043 0.000 0.974 901 N HN 0.208 nan 8.380 nan 0.000 0.482 902 c N 1.257 119.820 118.600 -0.062 0.000 2.601 902 c HA 0.252 4.822 4.570 -0.001 0.000 0.409 902 c C 1.050 175.102 174.090 -0.063 0.000 1.293 902 c CA -0.908 55.377 56.329 -0.074 0.000 2.101 902 c CB 0.709 43.160 42.510 -0.098 0.000 2.639 902 c HN 0.006 nan 8.230 nan 0.000 0.592 903 V N 5.476 125.349 119.914 -0.068 0.000 2.372 903 V HA 0.242 4.362 4.120 -0.001 0.000 0.261 903 V C 0.601 176.660 176.094 -0.059 0.000 1.055 903 V CA 0.281 62.547 62.300 -0.057 0.000 0.930 903 V CB -0.443 31.342 31.823 -0.064 0.000 1.031 903 V HN 0.803 nan 8.190 nan 0.000 0.479 904 R N 4.626 125.103 120.500 -0.037 0.000 2.758 904 R HA 0.564 4.903 4.340 -0.001 0.000 0.265 904 R C -2.464 173.833 176.300 -0.005 0.000 1.016 904 R CA -1.847 54.239 56.100 -0.023 0.000 1.040 904 R CB 1.089 31.378 30.300 -0.017 0.000 1.152 904 R HN 0.400 nan 8.270 nan 0.000 0.503 905 P HA -0.013 nan 4.420 nan 0.000 0.272 905 P C -0.397 176.946 177.300 0.072 0.000 1.230 905 P CA -0.260 62.830 63.100 -0.018 0.000 0.788 905 P CB 0.658 32.268 31.700 -0.151 0.000 0.949 906 S N 1.061 116.833 115.700 0.119 0.000 2.606 906 S HA 0.070 4.539 4.470 -0.001 0.000 0.257 906 S C 1.109 175.790 174.600 0.135 0.000 1.327 906 S CA -0.082 58.186 58.200 0.114 0.000 0.984 906 S CB 0.256 63.525 63.200 0.114 0.000 0.941 906 S HN 0.311 nan 8.310 nan 0.000 0.576 907 K N 0.108 120.569 120.400 0.102 0.000 2.280 907 K HA 0.049 4.369 4.320 -0.001 0.000 0.202 907 K C 1.496 178.153 176.600 0.095 0.000 1.047 907 K CA 1.203 57.547 56.287 0.096 0.000 0.942 907 K CB -0.537 32.003 32.500 0.067 0.000 0.739 907 K HN 0.546 nan 8.250 nan 0.000 0.457 908 L N -0.143 121.138 121.223 0.097 0.000 2.567 908 L HA 0.039 4.379 4.340 -0.001 0.000 0.225 908 L C 1.016 177.937 176.870 0.085 0.000 1.119 908 L CA -0.230 54.652 54.840 0.069 0.000 0.871 908 L CB -0.218 41.867 42.059 0.043 0.000 1.036 908 L HN 0.230 nan 8.230 nan 0.000 0.459 909 H N 2.523 121.630 119.070 0.062 0.000 2.803 909 H HA 0.077 4.632 4.556 -0.001 0.000 0.330 909 H C -1.730 173.636 175.328 0.064 0.000 1.057 909 H CA -1.320 54.777 56.048 0.082 0.000 1.458 909 H CB 1.743 31.580 29.762 0.126 0.000 1.470 909 H HN -0.083 nan 8.280 nan 0.000 0.560 910 P HA 0.139 nan 4.420 nan 0.000 0.249 910 P C -0.407 176.997 177.300 0.175 0.000 1.229 910 P CA 0.198 63.336 63.100 0.064 0.000 0.788 910 P CB 0.510 32.177 31.700 -0.056 0.000 1.072 911 A N -0.342 122.751 122.820 0.456 0.000 2.288 911 A HA 0.772 5.091 4.320 -0.001 0.000 0.328 911 A C 0.251 177.893 177.584 0.097 0.000 1.123 911 A CA -0.331 51.839 52.037 0.223 0.000 0.861 911 A CB 0.958 20.075 19.000 0.195 0.000 1.272 911 A HN 0.153 nan 8.150 nan 0.000 0.490 912 G N -1.536 107.175 108.800 -0.148 0.000 2.642 912 G HA2 0.625 4.585 3.960 -0.001 0.000 0.293 912 G HA3 0.625 4.585 3.960 -0.001 0.000 0.293 912 G C -1.798 172.719 174.900 -0.638 0.000 1.341 912 G CA -0.382 44.554 45.100 -0.274 0.000 0.916 912 G HN 0.541 nan 8.290 nan 0.000 0.474 913 Y N -0.606 119.656 120.300 -0.063 0.000 2.524 913 Y HA 0.503 5.053 4.550 -0.001 0.000 0.347 913 Y C 0.410 176.070 175.900 -0.400 0.000 1.005 913 Y CA -0.938 57.056 58.100 -0.177 0.000 1.025 913 Y CB 2.163 40.510 38.460 -0.188 0.000 1.275 913 Y HN 0.332 nan 8.280 nan 0.000 0.460 914 L N 1.933 122.995 121.223 -0.268 0.000 2.466 914 L HA 0.400 4.739 4.340 -0.001 0.000 0.257 914 L C 0.627 177.345 176.870 -0.254 0.000 1.189 914 L CA -0.536 54.063 54.840 -0.401 0.000 0.813 914 L CB 0.854 42.751 42.059 -0.270 0.000 1.118 914 L HN 0.771 nan 8.230 nan 0.000 0.471 915 T N -2.926 111.472 114.554 -0.261 0.000 2.881 915 T HA 0.086 4.435 4.350 -0.001 0.000 0.278 915 T C 1.075 175.720 174.700 -0.092 0.000 0.982 915 T CA -0.199 61.794 62.100 -0.178 0.000 0.989 915 T CB 1.575 70.334 68.868 -0.182 0.000 1.058 915 T HN 0.603 nan 8.240 nan 0.000 0.529 916 S N 0.515 116.174 115.700 -0.069 0.000 2.359 916 S HA -0.148 4.322 4.470 -0.001 0.000 0.224 916 S C 2.334 176.944 174.600 0.017 0.000 1.035 916 S CA 1.494 59.688 58.200 -0.011 0.000 1.018 916 S CB -1.232 61.946 63.200 -0.038 0.000 0.876 916 S HN 0.917 nan 8.310 nan 0.000 0.448 917 A N 1.313 124.118 122.820 -0.025 0.000 1.902 917 A HA 0.222 4.541 4.320 -0.001 0.000 0.217 917 A C 2.502 180.082 177.584 -0.008 0.000 1.181 917 A CA 1.903 53.929 52.037 -0.018 0.000 0.623 917 A CB -1.413 17.566 19.000 -0.036 0.000 0.818 917 A HN 0.830 nan 8.150 nan 0.000 0.443 918 A N -1.324 121.477 122.820 -0.032 0.000 1.930 918 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 918 A C 2.124 179.739 177.584 0.052 0.000 1.175 918 A CA 1.657 53.680 52.037 -0.023 0.000 0.627 918 A CB -0.942 17.986 19.000 -0.120 0.000 0.815 918 A HN 0.788 nan 8.150 nan 0.000 0.443 919 H N -0.041 119.015 119.070 -0.023 0.000 2.353 919 H HA -0.055 4.500 4.556 -0.001 0.000 0.300 919 H C 1.855 177.223 175.328 0.067 0.000 1.090 919 H CA 1.812 57.885 56.048 0.041 0.000 1.327 919 H CB -0.048 29.733 29.762 0.030 0.000 1.383 919 H HN 0.437 nan 8.280 nan 0.000 0.508 920 K N 0.211 120.580 120.400 -0.050 0.000 2.097 920 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 920 K C 2.390 178.961 176.600 -0.048 0.000 1.049 920 K CA 0.866 57.105 56.287 -0.081 0.000 0.933 920 K CB -0.037 32.464 32.500 0.001 0.000 0.717 920 K HN 0.273 nan 8.250 nan 0.000 0.442 921 A N 0.810 123.624 122.820 -0.009 0.000 1.902 921 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 921 A C 2.206 179.801 177.584 0.018 0.000 1.181 921 A CA 2.000 54.046 52.037 0.016 0.000 0.623 921 A CB -0.648 18.375 19.000 0.038 0.000 0.818 921 A HN 0.274 nan 8.150 nan 0.000 0.443 922 S N -0.649 115.066 115.700 0.025 0.000 2.368 922 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 922 S C 2.135 176.735 174.600 -0.001 0.000 1.030 922 S CA 1.721 59.954 58.200 0.054 0.000 0.999 922 S CB -0.401 62.878 63.200 0.132 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.588 120.341 119.800 -0.079 0.000 2.170 923 Q HA -0.081 4.258 4.340 -0.001 0.000 0.203 923 Q C 2.471 178.435 176.000 -0.060 0.000 0.976 923 Q CA 1.607 57.364 55.803 -0.077 0.000 0.858 923 Q CB -0.288 28.379 28.738 -0.119 0.000 0.907 923 Q HN 0.809 nan 8.270 nan 0.000 0.433 924 S N 0.239 115.913 115.700 -0.044 0.000 2.423 924 S HA -0.071 4.398 4.470 -0.001 0.000 0.231 924 S C 1.853 176.417 174.600 -0.061 0.000 1.014 924 S CA 0.653 58.826 58.200 -0.045 0.000 0.965 924 S CB -0.220 62.970 63.200 -0.017 0.000 0.785 924 S HN 0.278 nan 8.310 nan 0.000 0.495 925 L N 0.055 121.252 121.223 -0.043 0.000 2.127 925 L HA 0.221 4.560 4.340 -0.001 0.000 0.203 925 L C 2.499 179.317 176.870 -0.085 0.000 1.080 925 L CA 0.732 55.541 54.840 -0.051 0.000 0.768 925 L CB -0.380 41.667 42.059 -0.020 0.000 0.924 925 L HN 0.281 nan 8.230 nan 0.000 0.444 926 L N -1.180 119.998 121.223 -0.076 0.000 2.249 926 L HA 0.030 4.370 4.340 -0.001 0.000 0.207 926 L C 0.187 176.951 176.870 -0.177 0.000 1.090 926 L CA 0.792 55.576 54.840 -0.094 0.000 0.802 926 L CB 0.095 42.126 42.059 -0.048 0.000 0.947 926 L HN 0.204 nan 8.230 nan 0.000 0.453 927 D N 0.382 120.660 120.400 -0.203 0.000 2.613 927 D HA 0.229 4.868 4.640 -0.001 0.000 0.312 927 D C -2.355 173.741 176.300 -0.339 0.000 1.202 927 D CA -0.956 52.850 54.000 -0.324 0.000 0.825 927 D CB 1.360 42.156 40.800 -0.007 0.000 1.113 927 D HN 0.063 nan 8.370 nan 0.000 0.502 928 P HA 0.132 nan 4.420 nan 0.000 0.274 928 P C 0.585 177.767 177.300 -0.197 0.000 1.256 928 P CA -0.505 62.444 63.100 -0.251 0.000 0.795 928 P CB 1.592 33.156 31.700 -0.227 0.000 1.038 929 L N 0.828 121.988 121.223 -0.105 0.000 2.483 929 L HA 0.085 4.424 4.340 -0.001 0.000 0.276 929 L C 0.916 177.773 176.870 -0.021 0.000 1.213 929 L CA 0.492 55.312 54.840 -0.033 0.000 0.843 929 L CB -0.275 41.777 42.059 -0.012 0.000 1.107 929 L HN 0.293 nan 8.230 nan 0.000 0.487 930 D N 2.965 123.417 120.400 0.087 0.000 2.193 930 D HA 0.361 5.001 4.640 -0.001 0.000 0.249 930 D C -0.384 175.876 176.300 -0.067 0.000 1.034 930 D CA -0.361 53.615 54.000 -0.039 0.000 0.902 930 D CB 1.804 42.620 40.800 0.027 0.000 1.182 930 D HN 0.365 nan 8.370 nan 0.000 0.436 931 K N 1.226 121.449 120.400 -0.295 0.000 2.345 931 K HA 0.490 4.810 4.320 -0.001 0.000 0.255 931 K C -1.060 175.397 176.600 -0.238 0.000 0.934 931 K CA -0.671 55.578 56.287 -0.062 0.000 0.801 931 K CB 1.668 34.123 32.500 -0.076 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.541 122.670 119.950 0.297 0.000 2.529 932 F HA 0.485 5.011 4.527 -0.001 0.000 0.320 932 F C -0.021 176.073 175.800 0.490 0.000 1.118 932 F CA -0.873 57.303 58.000 0.294 0.000 0.915 932 F CB 1.254 40.256 39.000 0.004 0.000 1.161 932 F HN 0.195 nan 8.300 nan 0.000 0.445 933 I N 3.521 124.471 120.570 0.633 0.000 2.354 933 I HA 0.218 4.387 4.170 -0.001 0.000 0.292 933 I C -0.504 175.879 176.117 0.443 0.000 0.989 933 I CA -0.836 60.759 61.300 0.492 0.000 1.188 933 I CB 1.174 39.361 38.000 0.313 0.000 1.342 933 I HN 0.437 nan 8.210 nan 0.000 0.457 934 F N 5.753 125.840 119.950 0.228 0.000 2.578 934 F HA 0.187 4.714 4.527 -0.001 0.000 0.381 934 F C 1.200 176.905 175.800 -0.159 0.000 1.069 934 F CA 0.018 57.846 58.000 -0.286 0.000 1.231 934 F CB 1.156 40.032 39.000 -0.206 0.000 1.086 934 F HN 0.604 nan 8.300 nan 0.000 0.564 935 A N 4.463 126.679 122.820 -1.006 0.000 1.970 935 A HA 0.035 4.354 4.320 -0.001 0.000 0.216 935 A C 0.927 178.241 177.584 -0.451 0.000 1.170 935 A CA 0.601 52.287 52.037 -0.585 0.000 0.645 935 A CB -0.459 18.201 19.000 -0.567 0.000 0.816 935 A HN 0.792 nan 8.150 nan 0.000 0.447 936 E N -0.579 119.227 120.200 -0.658 0.000 2.330 936 E HA 0.194 4.544 4.350 -0.001 0.000 0.256 936 E C 0.224 176.945 176.600 0.201 0.000 1.146 936 E CA -0.693 55.638 56.400 -0.115 0.000 0.945 936 E CB 0.294 30.006 29.700 0.020 0.000 1.182 936 E HN 0.195 nan 8.360 nan 0.000 0.480 937 N N 0.539 119.364 118.700 0.208 0.000 2.216 937 N HA -0.090 4.650 4.740 -0.001 0.000 0.183 937 N C -0.177 175.492 175.510 0.264 0.000 1.017 937 N CA 0.939 54.118 53.050 0.216 0.000 0.861 937 N CB 0.181 38.749 38.487 0.135 0.000 0.986 937 N HN 0.460 nan 8.380 nan 0.000 0.428 938 E N -0.740 119.630 120.200 0.284 0.000 2.272 938 E HA 0.134 4.484 4.350 -0.001 0.000 0.269 938 E C -1.513 175.149 176.600 0.104 0.000 0.877 938 E CA -0.760 55.732 56.400 0.154 0.000 0.755 938 E CB 1.263 31.023 29.700 0.101 0.000 1.192 938 E HN -0.009 nan 8.360 nan 0.000 0.422 939 W N 7.887 128.857 121.300 -0.550 0.000 2.298 939 W HA 0.410 5.069 4.660 -0.001 0.000 0.327 939 W C -1.363 174.944 176.519 -0.354 0.000 0.988 939 W CA -1.524 55.333 57.345 -0.815 0.000 1.448 939 W CB -0.090 28.413 29.460 -1.595 0.000 1.243 939 W HN 0.482 nan 8.180 nan 0.000 0.388 940 I N 5.793 126.453 120.570 0.149 0.000 2.496 940 I HA 0.240 4.409 4.170 -0.001 0.000 0.285 940 I C 1.493 177.595 176.117 -0.025 0.000 1.080 940 I CA 1.161 62.477 61.300 0.027 0.000 1.404 940 I CB 0.599 38.643 38.000 0.072 0.000 1.403 940 I HN 0.769 nan 8.210 nan 0.000 0.539 941 G N 4.294 112.996 108.800 -0.163 0.000 2.157 941 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.248 941 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.248 941 G C 0.442 175.095 174.900 -0.412 0.000 0.979 941 G CA -0.070 44.916 45.100 -0.190 0.000 0.650 941 G HN 0.996 nan 8.290 nan 0.000 0.529 942 A N -0.321 121.985 122.820 -0.857 0.000 2.531 942 A HA 0.538 4.857 4.320 -0.001 0.000 0.236 942 A C 0.583 177.729 177.584 -0.730 0.000 1.062 942 A CA 0.938 52.098 52.037 -1.462 0.000 0.760 942 A CB 0.214 17.989 19.000 -2.042 0.000 0.995 942 A HN 0.645 nan 8.150 nan 0.000 0.501 943 Q N 0.623 120.068 119.800 -0.591 0.000 2.351 943 Q HA 0.529 4.869 4.340 -0.001 0.000 0.273 943 Q C 1.075 176.950 176.000 -0.208 0.000 1.077 943 Q CA -0.225 55.405 55.803 -0.287 0.000 0.843 943 Q CB 1.933 30.571 28.738 -0.168 0.000 1.367 943 Q HN 0.799 nan 8.270 nan 0.000 0.449 944 G N -0.001 108.718 108.800 -0.136 0.000 2.683 944 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.213 944 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.213 944 G C 0.181 175.050 174.900 -0.052 0.000 1.142 944 G CA 0.550 45.587 45.100 -0.104 0.000 0.793 944 G HN 0.440 nan 8.290 nan 0.000 0.534 945 Q N -1.458 118.328 119.800 -0.024 0.000 2.578 945 Q HA 0.530 4.870 4.340 -0.001 0.000 0.284 945 Q C -2.387 173.632 176.000 0.031 0.000 0.960 945 Q CA -0.943 54.862 55.803 0.003 0.000 0.809 945 Q CB 2.067 30.791 28.738 -0.023 0.000 1.462 945 Q HN 0.036 nan 8.270 nan 0.000 0.392 946 F N 0.928 120.780 119.950 -0.163 0.000 2.581 946 F HA 0.632 5.159 4.527 -0.001 0.000 0.311 946 F C 0.422 175.965 175.800 -0.428 0.000 1.113 946 F CA 0.422 58.259 58.000 -0.272 0.000 0.935 946 F CB 2.079 40.928 39.000 -0.251 0.000 1.232 946 F HN 0.678 nan 8.300 nan 0.000 0.445 947 G N 3.033 110.789 108.800 -1.739 0.000 2.141 947 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.242 947 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.242 947 G C 1.026 175.243 174.900 -1.139 0.000 0.982 947 G CA 0.297 44.113 45.100 -2.139 0.000 0.662 947 G HN 1.619 nan 8.290 nan 0.000 0.527 948 G N 1.015 109.443 108.800 -0.620 0.000 2.498 948 G HA2 0.043 4.003 3.960 -0.001 0.000 0.219 948 G HA3 0.043 4.003 3.960 -0.001 0.000 0.219 948 G C 1.201 176.031 174.900 -0.117 0.000 1.119 948 G CA 1.717 46.680 45.100 -0.229 0.000 0.766 948 G HN 0.828 nan 8.290 nan 0.000 0.552 949 D N -0.876 119.375 120.400 -0.248 0.000 2.340 949 D HA 0.033 4.672 4.640 -0.001 0.000 0.217 949 D C 0.349 176.638 176.300 -0.018 0.000 1.081 949 D CA -0.493 53.454 54.000 -0.087 0.000 0.842 949 D CB -0.835 39.921 40.800 -0.073 0.000 0.934 949 D HN 0.449 nan 8.370 nan 0.000 0.511 950 H N 0.942 119.894 119.070 -0.197 0.000 2.732 950 H HA 0.256 4.811 4.556 -0.001 0.000 0.351 950 H C -2.017 173.271 175.328 -0.066 0.000 1.090 950 H CA -1.773 54.186 56.048 -0.149 0.000 1.431 950 H CB 0.690 30.315 29.762 -0.228 0.000 1.447 950 H HN -0.016 nan 8.280 nan 0.000 0.582 951 P HA -0.035 nan 4.420 nan 0.000 0.271 951 P C -0.651 176.714 177.300 0.108 0.000 1.216 951 P CA -0.024 63.134 63.100 0.097 0.000 0.771 951 P CB 0.803 32.540 31.700 0.062 0.000 0.864 952 S N 2.392 118.193 115.700 0.168 0.000 2.464 952 S HA 0.562 5.032 4.470 -0.001 0.000 0.313 952 S C 0.131 174.845 174.600 0.189 0.000 1.078 952 S CA -0.573 57.759 58.200 0.221 0.000 1.096 952 S CB -0.727 62.721 63.200 0.413 0.000 1.032 952 S HN 0.499 nan 8.310 nan 0.000 0.498 953 A N 4.404 127.324 122.820 0.167 0.000 2.346 953 A HA 0.478 4.798 4.320 -0.001 0.000 0.252 953 A C 0.587 178.239 177.584 0.115 0.000 1.089 953 A CA -0.509 51.606 52.037 0.129 0.000 0.797 953 A CB 0.177 19.248 19.000 0.119 0.000 1.047 953 A HN 0.901 nan 8.150 nan 0.000 0.494 954 R N -0.068 120.470 120.500 0.064 0.000 2.698 954 R HA -0.021 4.318 4.340 -0.001 0.000 0.266 954 R C 1.478 177.785 176.300 0.011 0.000 1.026 954 R CA 0.902 57.013 56.100 0.018 0.000 1.102 954 R CB 0.326 30.623 30.300 -0.005 0.000 0.978 954 R HN 0.922 nan 8.270 nan 0.000 0.436 955 E N 1.903 122.068 120.200 -0.057 0.000 2.209 955 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 955 E C 0.284 176.914 176.600 0.049 0.000 0.993 955 E CA 1.649 57.995 56.400 -0.091 0.000 0.819 955 E CB -0.080 29.543 29.700 -0.129 0.000 0.745 955 E HN 0.764 nan 8.360 nan 0.000 0.477 956 D N 0.572 120.963 120.400 -0.016 0.000 2.349 956 D HA 0.006 4.645 4.640 -0.001 0.000 0.224 956 D C 0.330 176.626 176.300 -0.006 0.000 1.029 956 D CA -0.109 53.840 54.000 -0.085 0.000 0.879 956 D CB -0.044 40.646 40.800 -0.184 0.000 0.906 956 D HN 0.179 nan 8.370 nan 0.000 0.528 957 L N 0.670 121.939 121.223 0.077 0.000 2.309 957 L HA 0.517 4.857 4.340 -0.001 0.000 0.282 957 L C -1.047 175.953 176.870 0.216 0.000 1.036 957 L CA -0.403 54.502 54.840 0.109 0.000 0.806 957 L CB 1.696 43.807 42.059 0.087 0.000 1.220 957 L HN -0.207 nan 8.230 nan 0.000 0.429 958 D N 2.281 122.830 120.400 0.248 0.000 2.671 958 D HA 0.368 5.007 4.640 -0.001 0.000 0.232 958 D C -1.401 175.066 176.300 0.278 0.000 1.114 958 D CA -0.270 53.902 54.000 0.287 0.000 0.858 958 D CB 2.446 43.464 40.800 0.363 0.000 1.544 958 D HN 0.215 nan 8.370 nan 0.000 0.471 959 V N 3.406 123.463 119.914 0.238 0.000 2.258 959 V HA 0.133 4.253 4.120 -0.001 0.000 0.258 959 V C 1.274 177.512 176.094 0.241 0.000 1.121 959 V CA -0.043 62.410 62.300 0.255 0.000 0.942 959 V CB 0.485 32.445 31.823 0.229 0.000 1.170 959 V HN 0.607 nan 8.190 nan 0.000 0.487 960 S N 3.136 119.009 115.700 0.288 0.000 2.383 960 S HA -0.033 4.437 4.470 -0.001 0.000 0.229 960 S C 0.666 175.332 174.600 0.110 0.000 1.030 960 S CA 0.954 59.278 58.200 0.207 0.000 1.002 960 S CB 0.136 63.520 63.200 0.307 0.000 0.829 960 S HN 0.497 nan 8.310 nan 0.000 0.467 961 V N 1.340 121.356 119.914 0.170 0.000 2.808 961 V HA 0.523 4.642 4.120 -0.001 0.000 0.308 961 V C -0.803 175.362 176.094 0.117 0.000 1.099 961 V CA -0.562 61.810 62.300 0.121 0.000 0.920 961 V CB 1.926 33.840 31.823 0.152 0.000 1.014 961 V HN 0.371 nan 8.190 nan 0.000 0.425 962 M N 5.551 125.139 119.600 -0.019 0.000 2.151 962 M HA 0.670 5.150 4.480 -0.001 0.000 0.290 962 M C -1.062 175.066 176.300 -0.285 0.000 0.965 962 M CA -0.492 54.664 55.300 -0.241 0.000 0.930 962 M CB 1.399 33.872 32.600 -0.212 0.000 1.560 962 M HN 0.752 nan 8.290 nan 0.000 0.438 963 R N 4.161 124.418 120.500 -0.404 0.000 2.510 963 R HA 0.435 4.775 4.340 -0.001 0.000 0.294 963 R C -1.353 174.721 176.300 -0.378 0.000 1.056 963 R CA -0.690 55.228 56.100 -0.305 0.000 0.918 963 R CB 1.770 31.977 30.300 -0.153 0.000 1.187 963 R HN 0.897 nan 8.270 nan 0.000 0.437 964 R N 4.486 124.821 120.500 -0.275 0.000 2.442 964 R HA 0.126 4.465 4.340 -0.001 0.000 0.291 964 R C 0.103 176.294 176.300 -0.181 0.000 1.069 964 R CA 0.096 56.063 56.100 -0.222 0.000 1.022 964 R CB 0.595 30.824 30.300 -0.118 0.000 0.976 964 R HN 0.711 nan 8.270 nan 0.000 0.443 965 L N 3.182 124.292 121.223 -0.189 0.000 2.640 965 L HA 0.160 4.500 4.340 -0.001 0.000 0.230 965 L C 0.278 177.099 176.870 -0.081 0.000 1.123 965 L CA -0.053 54.697 54.840 -0.150 0.000 0.900 965 L CB 0.449 42.383 42.059 -0.207 0.000 1.146 965 L HN 0.726 nan 8.230 nan 0.000 0.484 966 T N -2.997 111.520 114.554 -0.061 0.000 2.887 966 T HA 0.458 4.807 4.350 -0.001 0.000 0.288 966 T C -0.233 174.463 174.700 -0.008 0.000 1.021 966 T CA -0.942 61.140 62.100 -0.030 0.000 1.000 966 T CB 2.376 71.232 68.868 -0.020 0.000 1.034 966 T HN -0.091 nan 8.240 nan 0.000 0.467 967 K N 0.936 121.337 120.400 0.002 0.000 2.102 967 K HA 0.328 4.647 4.320 -0.001 0.000 0.244 967 K C 1.627 178.243 176.600 0.027 0.000 1.021 967 K CA -0.270 56.028 56.287 0.020 0.000 0.913 967 K CB 0.614 33.124 32.500 0.016 0.000 1.062 967 K HN 0.808 nan 8.250 nan 0.000 0.485 968 S N -0.393 115.331 115.700 0.040 0.000 2.447 968 S HA -0.109 4.360 4.470 -0.001 0.000 0.233 968 S C 1.589 176.205 174.600 0.027 0.000 1.006 968 S CA 1.130 59.352 58.200 0.037 0.000 0.957 968 S CB -0.096 63.132 63.200 0.047 0.000 0.773 968 S HN 0.467 nan 8.310 nan 0.000 0.507 969 S N 1.859 117.573 115.700 0.024 0.000 2.515 969 S HA 0.382 4.851 4.470 -0.001 0.000 0.231 969 S C 0.978 175.586 174.600 0.013 0.000 0.987 969 S CA 0.417 58.628 58.200 0.019 0.000 0.936 969 S CB -0.420 62.790 63.200 0.018 0.000 0.766 969 S HN 0.795 nan 8.310 nan 0.000 0.528 970 A N 1.792 124.619 122.820 0.011 0.000 2.491 970 A HA 0.235 4.555 4.320 -0.001 0.000 0.261 970 A C 1.186 178.776 177.584 0.010 0.000 1.101 970 A CA -0.192 51.849 52.037 0.006 0.000 0.772 970 A CB 0.183 19.184 19.000 0.001 0.000 1.043 970 A HN 0.293 nan 8.150 nan 0.000 0.501 971 K N 1.211 121.616 120.400 0.008 0.000 2.032 971 K HA -0.093 4.227 4.320 -0.001 0.000 0.209 971 K C 0.181 176.790 176.600 0.015 0.000 1.048 971 K CA 1.621 57.914 56.287 0.011 0.000 0.927 971 K CB -0.058 32.445 32.500 0.006 0.000 0.712 971 K HN 0.708 nan 8.250 nan 0.000 0.441 972 T N 2.214 116.774 114.554 0.009 0.000 2.743 972 T HA 0.168 4.517 4.350 -0.001 0.000 0.292 972 T C -0.485 174.227 174.700 0.020 0.000 0.972 972 T CA -0.574 61.534 62.100 0.013 0.000 0.967 972 T CB 1.405 70.270 68.868 -0.006 0.000 0.926 972 T HN -0.003 nan 8.240 nan 0.000 0.459 973 Q N 2.774 122.605 119.800 0.051 0.000 2.299 973 Q HA 0.442 4.781 4.340 -0.001 0.000 0.246 973 Q C 0.024 176.075 176.000 0.085 0.000 0.935 973 Q CA -0.078 55.762 55.803 0.061 0.000 0.887 973 Q CB 1.479 30.262 28.738 0.076 0.000 1.223 973 Q HN 0.558 nan 8.270 nan 0.000 0.439 974 R N 0.301 120.820 120.500 0.032 0.000 2.628 974 R HA 0.674 5.013 4.340 -0.001 0.000 0.288 974 R C -1.083 175.173 176.300 -0.072 0.000 0.980 974 R CA -0.690 55.411 56.100 0.002 0.000 0.891 974 R CB 1.864 32.132 30.300 -0.054 0.000 1.188 974 R HN 0.246 nan 8.270 nan 0.000 0.450 975 V N 1.465 121.332 119.914 -0.079 0.000 2.531 975 V HA 0.593 4.712 4.120 -0.001 0.000 0.301 975 V C 0.156 175.980 176.094 -0.449 0.000 1.034 975 V CA -0.837 61.292 62.300 -0.285 0.000 0.865 975 V CB 2.040 33.715 31.823 -0.246 0.000 0.995 975 V HN 0.949 nan 8.190 nan 0.000 0.424 976 G N 3.029 111.362 108.800 -0.778 0.000 2.371 976 G HA2 0.660 4.619 3.960 -0.001 0.000 0.326 976 G HA3 0.660 4.619 3.960 -0.001 0.000 0.326 976 G C -1.640 172.806 174.900 -0.758 0.000 1.127 976 G CA -0.276 44.204 45.100 -1.034 0.000 0.885 976 G HN 0.500 nan 8.290 nan 0.000 0.477 977 Y N 0.248 120.625 120.300 0.129 0.000 2.442 977 Y HA 0.480 5.029 4.550 -0.001 0.000 0.344 977 Y C -0.163 176.002 175.900 0.443 0.000 0.976 977 Y CA -0.900 57.369 58.100 0.281 0.000 1.040 977 Y CB 2.781 41.376 38.460 0.225 0.000 1.228 977 Y HN 0.343 nan 8.280 nan 0.000 0.451 978 V N 5.057 125.267 119.914 0.494 0.000 2.357 978 V HA 0.354 4.473 4.120 -0.001 0.000 0.284 978 V C -0.733 175.593 176.094 0.387 0.000 1.018 978 V CA -0.715 61.806 62.300 0.367 0.000 0.841 978 V CB 1.405 33.399 31.823 0.284 0.000 0.991 978 V HN 0.523 nan 8.190 nan 0.000 0.437 979 L N 4.952 126.388 121.223 0.356 0.000 2.296 979 L HA 0.564 4.904 4.340 -0.001 0.000 0.286 979 L C -0.630 176.439 176.870 0.332 0.000 1.023 979 L CA -0.247 54.797 54.840 0.340 0.000 0.812 979 L CB 1.341 43.599 42.059 0.332 0.000 1.223 979 L HN 0.790 nan 8.230 nan 0.000 0.421 980 H N 4.081 123.303 119.070 0.254 0.000 2.529 980 H HA 0.464 5.019 4.556 -0.001 0.000 0.348 980 H C -0.882 174.530 175.328 0.141 0.000 1.079 980 H CA -0.566 55.597 56.048 0.191 0.000 1.198 980 H CB 1.487 31.426 29.762 0.294 0.000 1.521 980 H HN 0.503 nan 8.280 nan 0.000 0.514 981 R N 4.412 124.532 120.500 -0.633 0.000 2.310 981 R HA 0.284 4.623 4.340 -0.001 0.000 0.324 981 R C -0.416 175.459 176.300 -0.708 0.000 0.955 981 R CA -0.437 55.386 56.100 -0.460 0.000 0.830 981 R CB 1.309 31.478 30.300 -0.219 0.000 1.154 981 R HN 0.796 nan 8.270 nan 0.000 0.458 982 T N 1.546 115.832 114.554 -0.447 0.000 2.833 982 T HA 0.199 4.549 4.350 -0.001 0.000 0.292 982 T C -0.518 174.000 174.700 -0.303 0.000 1.031 982 T CA -0.420 61.508 62.100 -0.285 0.000 0.937 982 T CB 0.622 69.407 68.868 -0.138 0.000 1.256 982 T HN 0.659 nan 8.240 nan 0.000 0.551 983 N N 0.517 119.062 118.700 -0.259 0.000 2.410 983 N HA 0.464 5.203 4.740 -0.001 0.000 0.287 983 N C -1.552 173.788 175.510 -0.283 0.000 1.044 983 N CA -0.480 52.355 53.050 -0.357 0.000 0.881 983 N CB 0.703 38.813 38.487 -0.629 0.000 1.405 983 N HN 0.477 nan 8.380 nan 0.000 0.490 984 L N 2.773 123.830 121.223 -0.277 0.000 2.334 984 L HA 0.548 4.887 4.340 -0.001 0.000 0.276 984 L C 0.503 177.247 176.870 -0.210 0.000 1.014 984 L CA -0.964 53.749 54.840 -0.211 0.000 0.815 984 L CB 1.643 43.587 42.059 -0.191 0.000 1.268 984 L HN 0.384 nan 8.230 nan 0.000 0.428 985 M N 2.323 121.820 119.600 -0.171 0.000 2.249 985 M HA 0.072 4.551 4.480 -0.001 0.000 0.340 985 M C -0.155 176.058 176.300 -0.144 0.000 1.166 985 M CA -0.006 55.197 55.300 -0.161 0.000 1.115 985 M CB 0.365 32.877 32.600 -0.148 0.000 1.606 985 M HN 0.456 nan 8.290 nan 0.000 0.448 986 Q N 2.042 121.762 119.800 -0.133 0.000 2.337 986 Q HA 0.190 4.530 4.340 -0.001 0.000 0.255 986 Q C -0.196 175.747 176.000 -0.095 0.000 0.997 986 Q CA 0.099 55.836 55.803 -0.110 0.000 0.925 986 Q CB 0.915 29.592 28.738 -0.101 0.000 1.212 986 Q HN 0.805 nan 8.270 nan 0.000 0.436 987 c N 0.573 119.119 118.600 -0.090 0.000 3.255 987 c HA 0.391 4.960 4.570 -0.001 0.000 0.282 987 c C 1.333 175.383 174.090 -0.067 0.000 1.441 987 c CA 0.120 56.401 56.329 -0.080 0.000 1.785 987 c CB -0.284 42.172 42.510 -0.089 0.000 2.583 987 c HN 1.010 nan 8.230 nan 0.000 0.615 988 G N 0.944 109.706 108.800 -0.064 0.000 2.179 988 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.220 988 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.220 988 G C 0.070 174.938 174.900 -0.054 0.000 0.990 988 G CA 0.219 45.287 45.100 -0.054 0.000 0.646 988 G HN 0.412 nan 8.290 nan 0.000 0.517 989 T N 3.483 118.000 114.554 -0.061 0.000 2.737 989 T HA 0.497 4.846 4.350 -0.001 0.000 0.296 989 T C -1.708 172.953 174.700 -0.065 0.000 0.922 989 T CA -0.479 61.584 62.100 -0.061 0.000 1.079 989 T CB 1.343 70.171 68.868 -0.066 0.000 0.892 989 T HN 0.194 nan 8.240 nan 0.000 0.514 990 P HA 0.035 nan 4.420 nan 0.000 0.263 990 P C 0.953 178.206 177.300 -0.079 0.000 1.175 990 P CA -0.037 63.027 63.100 -0.060 0.000 0.761 990 P CB 0.673 32.343 31.700 -0.050 0.000 0.794 991 E N 4.198 124.353 120.200 -0.075 0.000 2.002 991 E HA -0.245 4.104 4.350 -0.001 0.000 0.213 991 E C -0.050 176.475 176.600 -0.126 0.000 1.024 991 E CA 2.172 58.520 56.400 -0.087 0.000 0.876 991 E CB -0.254 29.408 29.700 -0.064 0.000 0.799 991 E HN 0.692 nan 8.360 nan 0.000 0.497 992 E N -2.992 117.137 120.200 -0.117 0.000 8.643 992 E HA -0.233 4.117 4.350 -0.001 0.000 0.478 992 E C 0.070 176.583 176.600 -0.144 0.000 1.175 992 E CA 1.104 57.386 56.400 -0.196 0.000 2.097 992 E CB -1.679 27.736 29.700 -0.474 0.000 1.001 992 E HN 0.643 nan 8.360 nan 0.000 0.262 993 H N 0.633 119.697 119.070 -0.010 0.000 1.453 993 H HA -0.316 4.239 4.556 -0.001 0.000 0.090 993 H C 0.676 176.009 175.328 0.008 0.000 0.949 993 H CA 2.715 58.763 56.048 -0.001 0.000 1.901 993 H CB -1.602 28.163 29.762 0.003 0.000 2.257 993 H HN 2.119 nan 8.280 nan 0.000 0.961 994 T N -1.646 113.031 114.554 0.205 0.000 0.542 994 T HA -0.196 4.154 4.350 -0.001 0.000 0.774 994 T C -0.640 174.117 174.700 0.095 0.000 0.992 994 T CA 0.694 62.870 62.100 0.127 0.000 4.076 994 T CB -0.606 68.304 68.868 0.070 0.000 2.303 994 T HN 0.713 nan 8.240 nan 0.000 0.398 995 Q N 1.800 121.657 119.800 0.094 0.000 2.226 995 Q HA 0.589 4.929 4.340 -0.001 0.000 0.256 995 Q C 0.293 176.321 176.000 0.046 0.000 0.962 995 Q CA -1.215 54.626 55.803 0.064 0.000 0.887 995 Q CB 1.463 30.242 28.738 0.069 0.000 1.282 995 Q HN 0.805 nan 8.270 nan 0.000 0.449 996 K N 1.419 121.833 120.400 0.023 0.000 2.382 996 K HA 0.146 4.466 4.320 -0.001 0.000 0.275 996 K C -1.051 175.552 176.600 0.005 0.000 1.009 996 K CA -0.366 55.926 56.287 0.008 0.000 0.970 996 K CB 0.423 32.916 32.500 -0.011 0.000 0.934 996 K HN 0.473 nan 8.250 nan 0.000 0.479 997 L N 4.225 125.448 121.223 -0.000 0.000 2.272 997 L HA 0.293 4.633 4.340 -0.001 0.000 0.289 997 L C -1.224 175.610 176.870 -0.061 0.000 1.032 997 L CA -0.033 54.799 54.840 -0.014 0.000 0.810 997 L CB 1.280 43.343 42.059 0.007 0.000 1.205 997 L HN 0.655 nan 8.230 nan 0.000 0.422 998 D N 3.541 123.896 120.400 -0.075 0.000 2.464 998 D HA 0.166 4.805 4.640 -0.001 0.000 0.243 998 D C 1.032 177.230 176.300 -0.169 0.000 1.104 998 D CA -0.288 53.644 54.000 -0.113 0.000 0.883 998 D CB 1.235 42.015 40.800 -0.033 0.000 1.050 998 D HN 0.377 nan 8.370 nan 0.000 0.524 999 V N 1.377 121.095 119.914 -0.326 0.000 2.594 999 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 999 V C 2.162 177.937 176.094 -0.531 0.000 1.069 999 V CA 1.102 63.032 62.300 -0.617 0.000 1.082 999 V CB -1.106 30.073 31.823 -1.073 0.000 0.680 999 V HN 0.612 nan 8.190 nan 0.000 0.469 1000 c N 0.567 118.989 118.600 -0.298 0.000 2.437 1000 c HA -0.014 4.555 4.570 -0.001 0.000 0.283 1000 c C 2.096 176.071 174.090 -0.191 0.000 1.424 1000 c CA 1.326 57.545 56.329 -0.183 0.000 1.782 1000 c CB -1.731 40.663 42.510 -0.194 0.000 1.833 1000 c HN 0.776 nan 8.230 nan 0.000 0.532 1001 H N -0.980 118.060 119.070 -0.051 0.000 2.505 1001 H HA 0.268 4.824 4.556 -0.001 0.000 0.286 1001 H C 1.637 176.991 175.328 0.043 0.000 1.072 1001 H CA -0.037 56.025 56.048 0.023 0.000 1.141 1001 H CB 0.041 29.801 29.762 -0.003 0.000 1.550 1001 H HN 0.349 nan 8.280 nan 0.000 0.547 1002 L N -0.181 121.093 121.223 0.084 0.000 2.156 1002 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 1002 L C 0.152 177.163 176.870 0.234 0.000 1.095 1002 L CA 0.838 55.755 54.840 0.127 0.000 0.770 1002 L CB 0.173 42.266 42.059 0.058 0.000 0.914 1002 L HN 0.219 nan 8.230 nan 0.000 0.439 1003 L N 0.108 121.428 121.223 0.161 0.000 2.331 1003 L HA 0.398 4.737 4.340 -0.001 0.000 0.275 1003 L C -2.080 174.838 176.870 0.078 0.000 1.022 1003 L CA -1.961 52.907 54.840 0.046 0.000 0.812 1003 L CB 1.642 43.503 42.059 -0.330 0.000 1.257 1003 L HN -0.198 nan 8.230 nan 0.000 0.435 1004 P HA 0.093 nan 4.420 nan 0.000 0.274 1004 P C -0.870 176.549 177.300 0.198 0.000 1.256 1004 P CA -0.209 62.967 63.100 0.126 0.000 0.795 1004 P CB 0.516 32.267 31.700 0.084 0.000 1.038 1005 N N -2.737 116.062 118.700 0.164 0.000 2.758 1005 N HA -0.129 4.610 4.740 -0.001 0.000 0.248 1005 N C -0.125 175.476 175.510 0.151 0.000 1.076 1005 N CA 0.413 53.549 53.050 0.143 0.000 0.696 1005 N CB -2.111 36.450 38.487 0.123 0.000 0.979 1005 N HN 0.328 nan 8.380 nan 0.000 0.550 1006 V N 0.092 120.053 119.914 0.078 0.000 2.555 1006 V HA 0.451 4.571 4.120 -0.001 0.000 0.286 1006 V C 1.317 177.322 176.094 -0.149 0.000 1.044 1006 V CA 0.869 63.054 62.300 -0.191 0.000 1.026 1006 V CB 1.287 32.903 31.823 -0.346 0.000 0.981 1006 V HN 0.444 nan 8.190 nan 0.000 0.480 1007 A N 7.041 129.750 122.820 -0.184 0.000 2.259 1007 A HA 0.487 4.806 4.320 -0.001 0.000 0.213 1007 A C 0.950 178.499 177.584 -0.059 0.000 1.209 1007 A CA 0.031 52.018 52.037 -0.083 0.000 0.910 1007 A CB 0.226 19.191 19.000 -0.059 0.000 0.946 1007 A HN 0.781 nan 8.150 nan 0.000 0.497 1008 R N -1.824 118.610 120.500 -0.110 0.000 2.664 1008 R HA 0.478 4.818 4.340 -0.001 0.000 0.266 1008 R C -2.333 173.934 176.300 -0.055 0.000 1.046 1008 R CA -0.344 55.751 56.100 -0.009 0.000 0.885 1008 R CB 1.364 31.686 30.300 0.037 0.000 1.254 1008 R HN 0.287 nan 8.270 nan 0.000 0.465 1009 c N 2.471 121.079 118.600 0.014 0.000 2.481 1009 c HA 0.638 5.207 4.570 -0.001 0.000 0.324 1009 c C -1.274 172.886 174.090 0.116 0.000 1.170 1009 c CA -0.173 56.166 56.329 0.015 0.000 1.361 1009 c CB 1.270 43.747 42.510 -0.056 0.000 1.977 1009 c HN 0.918 nan 8.230 nan 0.000 0.459 1010 E N 2.987 123.291 120.200 0.172 0.000 2.293 1010 E HA 0.437 4.787 4.350 -0.001 0.000 0.270 1010 E C -1.064 175.708 176.600 0.286 0.000 0.879 1010 E CA -0.651 55.875 56.400 0.210 0.000 0.756 1010 E CB 1.972 31.768 29.700 0.160 0.000 1.208 1010 E HN 0.658 nan 8.360 nan 0.000 0.428 1011 R N 1.514 122.164 120.500 0.251 0.000 2.357 1011 R HA 0.383 4.722 4.340 -0.001 0.000 0.296 1011 R C -0.561 175.775 176.300 0.060 0.000 1.052 1011 R CA 0.111 56.289 56.100 0.130 0.000 0.988 1011 R CB 0.730 31.082 30.300 0.087 0.000 1.025 1011 R HN 0.723 nan 8.270 nan 0.000 0.469 1012 T N -0.416 114.146 114.554 0.013 0.000 2.864 1012 T HA 0.345 4.694 4.350 -0.001 0.000 0.289 1012 T C 0.061 174.747 174.700 -0.023 0.000 1.082 1012 T CA -0.780 61.347 62.100 0.046 0.000 1.009 1012 T CB 1.309 70.274 68.868 0.161 0.000 1.234 1012 T HN 0.616 nan 8.240 nan 0.000 0.526 1013 T N 0.186 114.729 114.554 -0.018 0.000 2.795 1013 T HA 0.228 4.577 4.350 -0.001 0.000 0.314 1013 T C 1.632 176.252 174.700 -0.134 0.000 1.069 1013 T CA -0.716 61.349 62.100 -0.058 0.000 1.071 1013 T CB -0.066 68.785 68.868 -0.029 0.000 0.988 1013 T HN 0.568 nan 8.240 nan 0.000 0.543 1014 L N 0.958 122.084 121.223 -0.161 0.000 2.362 1014 L HA -0.035 4.304 4.340 -0.001 0.000 0.219 1014 L C 2.792 179.371 176.870 -0.484 0.000 1.134 1014 L CA 1.417 56.095 54.840 -0.270 0.000 0.807 1014 L CB -1.077 40.907 42.059 -0.126 0.000 0.927 1014 L HN 0.979 nan 8.230 nan 0.000 0.447 1015 T N -4.896 109.474 114.554 -0.307 0.000 3.129 1015 T HA 0.062 4.411 4.350 -0.001 0.000 0.251 1015 T C 0.845 175.425 174.700 -0.200 0.000 1.117 1015 T CA -0.232 61.712 62.100 -0.261 0.000 1.034 1015 T CB -0.304 68.542 68.868 -0.036 0.000 0.968 1015 T HN 0.319 nan 8.240 nan 0.000 0.526 1016 F N -0.695 119.267 119.950 0.020 0.000 2.871 1016 F HA -0.240 4.286 4.527 -0.001 0.000 0.326 1016 F C 1.186 176.987 175.800 0.001 0.000 0.675 1016 F CA 0.178 58.183 58.000 0.008 0.000 1.188 1016 F CB -2.106 36.895 39.000 0.001 0.000 1.567 1016 F HN 0.207 nan 8.300 nan 0.000 0.325 1017 L N -0.522 120.774 121.223 0.121 0.000 2.418 1017 L HA 0.018 4.358 4.340 -0.001 0.000 0.218 1017 L C 1.081 177.974 176.870 0.039 0.000 1.125 1017 L CA 1.191 56.072 54.840 0.069 0.000 0.835 1017 L CB -0.017 42.064 42.059 0.037 0.000 0.953 1017 L HN 0.339 nan 8.230 nan 0.000 0.454 1018 Q N 0.433 120.255 119.800 0.038 0.000 2.305 1018 Q HA 0.263 4.603 4.340 -0.001 0.000 0.271 1018 Q C -1.168 174.851 176.000 0.032 0.000 1.046 1018 Q CA -0.727 55.087 55.803 0.018 0.000 0.798 1018 Q CB 1.859 30.593 28.738 -0.007 0.000 1.286 1018 Q HN 0.091 nan 8.270 nan 0.000 0.435 1019 N N 4.358 123.076 118.700 0.030 0.000 2.470 1019 N HA 0.176 4.916 4.740 -0.001 0.000 0.268 1019 N C 0.251 175.780 175.510 0.032 0.000 1.136 1019 N CA 0.253 53.329 53.050 0.043 0.000 0.961 1019 N CB 1.065 39.574 38.487 0.036 0.000 1.067 1019 N HN 0.645 nan 8.380 nan 0.000 0.468 1020 L N 0.469 121.716 121.223 0.040 0.000 2.642 1020 L HA 0.313 4.652 4.340 -0.001 0.000 0.233 1020 L C 0.566 177.466 176.870 0.049 0.000 1.077 1020 L CA 0.322 55.179 54.840 0.029 0.000 0.879 1020 L CB 0.377 42.442 42.059 0.009 0.000 1.151 1020 L HN 0.520 nan 8.230 nan 0.000 0.495 1021 E N -0.523 119.726 120.200 0.081 0.000 2.354 1021 E HA 0.154 4.504 4.350 -0.001 0.000 0.283 1021 E C -1.406 175.292 176.600 0.163 0.000 0.938 1021 E CA -0.641 55.823 56.400 0.107 0.000 0.777 1021 E CB 1.569 31.325 29.700 0.094 0.000 1.222 1021 E HN 0.025 nan 8.360 nan 0.000 0.423 1022 H N 4.914 124.010 119.070 0.043 0.000 2.652 1022 H HA 0.361 4.917 4.556 -0.001 0.000 0.298 1022 H C -1.029 174.324 175.328 0.041 0.000 1.076 1022 H CA -0.142 55.928 56.048 0.037 0.000 1.360 1022 H CB 0.274 30.048 29.762 0.021 0.000 1.421 1022 H HN 0.352 nan 8.280 nan 0.000 0.464 1023 L N 4.910 126.033 121.223 -0.166 0.000 2.276 1023 L HA 0.203 4.542 4.340 -0.001 0.000 0.286 1023 L C 0.282 176.989 176.870 -0.272 0.000 1.061 1023 L CA -0.877 53.866 54.840 -0.162 0.000 0.807 1023 L CB 0.795 42.832 42.059 -0.036 0.000 1.177 1023 L HN 0.611 nan 8.230 nan 0.000 0.429 1024 D N 2.721 123.009 120.400 -0.188 0.000 2.525 1024 D HA 0.072 4.711 4.640 -0.001 0.000 0.235 1024 D C 1.248 177.492 176.300 -0.093 0.000 1.137 1024 D CA 1.357 55.269 54.000 -0.146 0.000 0.868 1024 D CB 1.111 41.863 40.800 -0.080 0.000 1.180 1024 D HN 0.856 nan 8.370 nan 0.000 0.465 1025 G N 2.857 111.615 108.800 -0.069 0.000 2.186 1025 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.266 1025 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.266 1025 G C 0.751 175.674 174.900 0.038 0.000 0.982 1025 G CA 0.624 45.717 45.100 -0.012 0.000 0.670 1025 G HN 0.673 nan 8.290 nan 0.000 0.533 1026 M N -2.915 116.668 119.600 -0.028 0.000 2.461 1026 M HA -0.177 4.302 4.480 -0.001 0.000 0.203 1026 M C -0.029 176.288 176.300 0.029 0.000 0.428 1026 M CA 0.806 56.086 55.300 -0.034 0.000 0.509 1026 M CB -2.130 30.437 32.600 -0.056 0.000 1.851 1026 M HN 0.216 nan 8.290 nan 0.000 0.834 1027 V N 0.774 120.692 119.914 0.007 0.000 2.417 1027 V HA 0.771 4.890 4.120 -0.001 0.000 0.291 1027 V C 0.593 176.603 176.094 -0.140 0.000 1.024 1027 V CA -0.365 61.932 62.300 -0.005 0.000 0.861 1027 V CB 1.880 33.694 31.823 -0.015 0.000 0.985 1027 V HN 0.418 nan 8.190 nan 0.000 0.436 1028 A N 8.206 130.860 122.820 -0.276 0.000 2.279 1028 A HA 0.738 5.058 4.320 -0.001 0.000 0.306 1028 A C -2.294 175.007 177.584 -0.471 0.000 1.300 1028 A CA -1.416 50.220 52.037 -0.668 0.000 0.925 1028 A CB 0.110 18.419 19.000 -1.153 0.000 1.152 1028 A HN 0.602 nan 8.150 nan 0.000 0.544 1029 P HA 0.189 nan 4.420 nan 0.000 0.274 1029 P C -0.220 177.064 177.300 -0.026 0.000 1.231 1029 P CA -0.176 62.869 63.100 -0.092 0.000 0.790 1029 P CB 0.725 32.429 31.700 0.007 0.000 0.951 1030 E N -0.151 120.051 120.200 0.003 0.000 2.391 1030 E HA 0.254 4.603 4.350 -0.001 0.000 0.255 1030 E C 0.229 176.885 176.600 0.094 0.000 1.187 1030 E CA -0.797 55.634 56.400 0.053 0.000 0.941 1030 E CB 0.457 30.170 29.700 0.022 0.000 1.010 1030 E HN 0.322 nan 8.360 nan 0.000 0.458 1031 V N -1.783 118.188 119.914 0.096 0.000 3.211 1031 V HA 0.392 4.512 4.120 -0.001 0.000 0.319 1031 V C 0.104 176.202 176.094 0.007 0.000 1.096 1031 V CA -1.046 61.296 62.300 0.070 0.000 1.029 1031 V CB 1.279 33.150 31.823 0.079 0.000 1.137 1031 V HN 0.752 nan 8.190 nan 0.000 0.453 1032 c N 1.660 120.257 118.600 -0.004 0.000 2.500 1032 c HA 0.485 5.055 4.570 -0.001 0.000 0.367 1032 c C -2.159 171.872 174.090 -0.100 0.000 1.283 1032 c CA -0.420 55.886 56.329 -0.038 0.000 2.456 1032 c CB 0.099 42.604 42.510 -0.009 0.000 2.457 1032 c HN 0.807 nan 8.230 nan 0.000 0.632 1033 P HA 0.072 nan 4.420 nan 0.000 0.264 1033 P C 0.229 177.363 177.300 -0.276 0.000 1.193 1033 P CA 0.891 63.847 63.100 -0.239 0.000 0.763 1033 P CB 0.194 31.734 31.700 -0.267 0.000 0.810 1034 M N -1.261 118.124 119.600 -0.359 0.000 2.939 1034 M HA -0.210 4.269 4.480 -0.001 0.000 0.194 1034 M C 0.243 176.518 176.300 -0.042 0.000 0.617 1034 M CA 1.173 56.240 55.300 -0.389 0.000 0.734 1034 M CB -2.480 29.573 32.600 -0.913 0.000 2.637 1034 M HN 0.490 nan 8.290 nan 0.000 0.316 1035 E N 0.454 120.637 120.200 -0.028 0.000 2.227 1035 E HA 0.609 4.958 4.350 -0.001 0.000 0.268 1035 E C -0.670 175.995 176.600 0.108 0.000 0.990 1035 E CA -0.226 56.243 56.400 0.116 0.000 0.856 1035 E CB 1.616 31.351 29.700 0.058 0.000 1.159 1035 E HN 0.184 nan 8.360 nan 0.000 0.401 1036 T N 1.485 116.122 114.554 0.138 0.000 2.921 1036 T HA 0.693 5.042 4.350 -0.001 0.000 0.297 1036 T C -1.248 173.460 174.700 0.015 0.000 1.013 1036 T CA -0.520 61.665 62.100 0.141 0.000 0.990 1036 T CB 1.493 70.449 68.868 0.147 0.000 1.023 1036 T HN 0.632 nan 8.240 nan 0.000 0.447 1037 A N 1.923 124.751 122.820 0.013 0.000 2.479 1037 A HA 1.020 5.339 4.320 -0.001 0.000 0.296 1037 A C -1.134 176.341 177.584 -0.180 0.000 1.121 1037 A CA -0.935 51.008 52.037 -0.156 0.000 0.743 1037 A CB 1.534 20.381 19.000 -0.257 0.000 1.323 1037 A HN 1.125 nan 8.150 nan 0.000 0.415 1038 A N -0.021 122.600 122.820 -0.332 0.000 2.386 1038 A HA 0.816 5.135 4.320 -0.001 0.000 0.311 1038 A C -1.525 175.894 177.584 -0.275 0.000 1.068 1038 A CA -0.350 51.621 52.037 -0.110 0.000 0.743 1038 A CB 0.780 19.749 19.000 -0.052 0.000 1.258 1038 A HN 0.848 nan 8.150 nan 0.000 0.429 1039 Y N 0.081 120.596 120.300 0.358 0.000 2.545 1039 Y HA 0.601 5.151 4.550 -0.001 0.000 0.348 1039 Y C -0.258 175.810 175.900 0.281 0.000 1.002 1039 Y CA -0.939 57.323 58.100 0.270 0.000 1.039 1039 Y CB 2.647 41.227 38.460 0.200 0.000 1.271 1039 Y HN 0.428 nan 8.280 nan 0.000 0.467 1040 V N 2.218 122.334 119.914 0.338 0.000 2.531 1040 V HA 0.457 4.577 4.120 -0.001 0.000 0.301 1040 V C -0.783 175.391 176.094 0.133 0.000 1.034 1040 V CA -0.887 61.503 62.300 0.150 0.000 0.865 1040 V CB 1.849 33.699 31.823 0.045 0.000 0.995 1040 V HN 0.822 nan 8.190 nan 0.000 0.424 1041 S N 3.343 119.123 115.700 0.134 0.000 2.525 1041 S HA 0.749 5.218 4.470 -0.001 0.000 0.290 1041 S C -0.277 174.232 174.600 -0.152 0.000 1.152 1041 S CA -0.621 57.576 58.200 -0.005 0.000 1.072 1041 S CB 1.706 64.962 63.200 0.092 0.000 1.027 1041 S HN 0.553 nan 8.310 nan 0.000 0.500 1042 S N 2.279 117.772 115.700 -0.344 0.000 2.501 1042 S HA 0.533 5.003 4.470 -0.001 0.000 0.301 1042 S C -0.888 173.366 174.600 -0.576 0.000 1.096 1042 S CA -0.770 57.261 58.200 -0.282 0.000 1.063 1042 S CB 0.491 63.612 63.200 -0.132 0.000 1.042 1042 S HN 0.776 nan 8.310 nan 0.000 0.494 1043 H N 0.831 119.892 119.070 -0.015 0.000 2.679 1043 H HA 0.422 4.977 4.556 -0.001 0.000 0.360 1043 H C -0.202 175.123 175.328 -0.005 0.000 1.105 1043 H CA -0.620 55.421 56.048 -0.011 0.000 1.196 1043 H CB 1.756 31.514 29.762 -0.007 0.000 1.636 1043 H HN 0.645 nan 8.280 nan 0.000 0.531 1044 S N 0.000 115.747 115.700 0.079 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.230 58.200 0.050 0.000 1.107 1044 S CB 0.000 63.217 63.200 0.029 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517