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 3czn_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 WAIAPFGHSP 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 56.336 56.329 0.012 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.009 0.000 2.134 32 Q N 1.395 121.223 119.800 0.047 0.000 2.361 32 Q HA 0.087 4.427 4.340 -0.001 0.000 0.276 32 Q C -0.189 175.842 176.000 0.051 0.000 1.022 32 Q CA 0.573 56.419 55.803 0.072 0.000 0.898 32 Q CB 0.703 29.521 28.738 0.133 0.000 1.246 32 Q HN 0.639 nan 8.270 nan 0.000 0.410 33 D N 1.904 122.336 120.400 0.052 0.000 2.325 33 D HA 0.055 4.695 4.640 -0.001 0.000 0.251 33 D C 0.563 176.912 176.300 0.080 0.000 1.196 33 D CA -0.177 53.837 54.000 0.024 0.000 0.866 33 D CB 1.203 42.016 40.800 0.021 0.000 1.101 33 D HN 0.391 nan 8.370 nan 0.000 0.476 34 V N 2.229 122.146 119.914 0.005 0.000 3.649 34 V HA 0.063 4.182 4.120 -0.001 0.000 0.275 34 V C 1.159 177.296 176.094 0.071 0.000 1.281 34 V CA 0.183 62.540 62.300 0.094 0.000 1.143 34 V CB 0.195 31.905 31.823 -0.189 0.000 0.892 34 V HN 0.384 nan 8.190 nan 0.000 0.441 35 V N -0.048 119.826 119.914 -0.067 0.000 3.013 35 V HA 0.110 4.229 4.120 -0.001 0.000 0.238 35 V C 2.250 178.320 176.094 -0.040 0.000 1.161 35 V CA 1.193 63.406 62.300 -0.146 0.000 1.170 35 V CB 0.029 31.718 31.823 -0.222 0.000 0.917 35 V HN 0.486 nan 8.190 nan 0.000 0.478 36 Q N -0.373 119.454 119.800 0.045 0.000 2.319 36 Q HA 0.152 4.492 4.340 -0.001 0.000 0.209 36 Q C -0.532 175.549 176.000 0.135 0.000 0.884 36 Q CA 0.198 56.045 55.803 0.073 0.000 0.938 36 Q CB 0.732 29.487 28.738 0.028 0.000 1.098 36 Q HN 0.484 nan 8.270 nan 0.000 0.517 37 D N 1.247 121.763 120.400 0.193 0.000 2.453 37 D HA 0.174 4.814 4.640 -0.001 0.000 0.238 37 D C -0.721 175.698 176.300 0.199 0.000 1.088 37 D CA -0.266 53.834 54.000 0.167 0.000 0.854 37 D CB 2.168 43.043 40.800 0.125 0.000 1.076 37 D HN -0.168 nan 8.370 nan 0.000 0.533 38 V N 4.577 124.574 119.914 0.139 0.000 2.439 38 V HA 0.133 4.252 4.120 -0.001 0.000 0.271 38 V C -1.930 174.145 176.094 -0.031 0.000 1.040 38 V CA -1.188 61.114 62.300 0.004 0.000 1.002 38 V CB 0.420 32.253 31.823 0.017 0.000 1.000 38 V HN 0.282 nan 8.190 nan 0.000 0.477 39 P HA 0.080 nan 4.420 nan 0.000 0.268 39 P C -0.386 176.888 177.300 -0.044 0.000 1.205 39 P CA -0.042 63.030 63.100 -0.048 0.000 0.771 39 P CB 0.351 32.005 31.700 -0.077 0.000 0.858 40 N N 2.091 120.780 118.700 -0.019 0.000 2.420 40 N HA 0.264 5.003 4.740 -0.001 0.000 0.249 40 N C -0.429 175.073 175.510 -0.014 0.000 1.033 40 N CA -0.125 52.917 53.050 -0.015 0.000 0.944 40 N CB 0.788 39.275 38.487 -0.001 0.000 1.113 40 N HN 0.159 nan 8.380 nan 0.000 0.502 41 V N -0.863 119.036 119.914 -0.025 0.000 3.001 41 V HA 0.439 4.558 4.120 -0.001 0.000 0.314 41 V C 0.647 176.727 176.094 -0.024 0.000 1.099 41 V CA -0.836 61.452 62.300 -0.020 0.000 0.989 41 V CB 2.409 34.208 31.823 -0.039 0.000 1.040 41 V HN 0.321 nan 8.190 nan 0.000 0.434 42 D N 1.032 121.425 120.400 -0.012 0.000 2.149 42 D HA 0.030 4.670 4.640 -0.001 0.000 0.201 42 D C 0.495 176.765 176.300 -0.050 0.000 0.972 42 D CA 1.589 55.579 54.000 -0.017 0.000 0.835 42 D CB 0.514 41.320 40.800 0.010 0.000 0.966 42 D HN 0.426 nan 8.370 nan 0.000 0.476 43 V N 1.532 121.394 119.914 -0.086 0.000 2.525 43 V HA 0.207 4.327 4.120 -0.001 0.000 0.299 43 V C -0.364 175.634 176.094 -0.160 0.000 1.034 43 V CA -0.756 61.463 62.300 -0.135 0.000 0.863 43 V CB 2.408 34.107 31.823 -0.206 0.000 0.999 43 V HN -0.086 nan 8.190 nan 0.000 0.423 44 Q N 4.552 124.270 119.800 -0.137 0.000 2.341 44 Q HA 0.440 4.779 4.340 -0.001 0.000 0.268 44 Q C 0.437 176.340 176.000 -0.162 0.000 1.013 44 Q CA -0.693 55.021 55.803 -0.148 0.000 0.798 44 Q CB 1.898 30.570 28.738 -0.110 0.000 1.253 44 Q HN 0.673 nan 8.270 nan 0.000 0.457 45 M N 3.047 122.504 119.600 -0.238 0.000 2.213 45 M HA -0.164 4.316 4.480 -0.001 0.000 0.263 45 M C 1.619 177.813 176.300 -0.176 0.000 1.062 45 M CA 0.996 56.140 55.300 -0.260 0.000 1.105 45 M CB -0.793 31.521 32.600 -0.477 0.000 1.385 45 M HN 0.572 nan 8.290 nan 0.000 0.417 46 L N 0.665 121.780 121.223 -0.181 0.000 2.056 46 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 46 L C 2.497 179.358 176.870 -0.015 0.000 1.078 46 L CA 1.814 56.579 54.840 -0.124 0.000 0.749 46 L CB -0.653 41.309 42.059 -0.161 0.000 0.901 46 L HN 0.264 nan 8.230 nan 0.000 0.433 47 E N -0.383 119.796 120.200 -0.036 0.000 2.072 47 E HA -0.235 4.115 4.350 -0.001 0.000 0.191 47 E C 2.208 178.820 176.600 0.020 0.000 0.985 47 E CA 1.456 57.850 56.400 -0.011 0.000 0.801 47 E CB -0.302 29.377 29.700 -0.035 0.000 0.750 47 E HN 0.437 nan 8.360 nan 0.000 0.452 48 L N 0.472 121.705 121.223 0.017 0.000 2.012 48 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 48 L C 2.297 179.235 176.870 0.113 0.000 1.073 48 L CA 1.688 56.546 54.840 0.031 0.000 0.748 48 L CB -0.979 41.085 42.059 0.008 0.000 0.891 48 L HN 0.129 nan 8.230 nan 0.000 0.431 49 Y N -0.056 120.243 120.300 -0.001 0.000 2.207 49 Y HA -0.273 4.276 4.550 -0.001 0.000 0.287 49 Y C 2.573 178.565 175.900 0.153 0.000 1.156 49 Y CA 1.807 59.994 58.100 0.144 0.000 1.182 49 Y CB -0.646 37.904 38.460 0.149 0.000 0.979 49 Y HN 0.356 nan 8.280 nan 0.000 0.521 50 D N -0.566 119.949 120.400 0.191 0.000 2.144 50 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 50 D C 2.152 178.493 176.300 0.068 0.000 0.984 50 D CA 1.192 55.257 54.000 0.108 0.000 0.834 50 D CB 0.018 40.854 40.800 0.061 0.000 0.955 50 D HN 0.219 nan 8.370 nan 0.000 0.465 51 R N -1.022 119.499 120.500 0.035 0.000 2.127 51 R HA 0.159 4.498 4.340 -0.001 0.000 0.217 51 R C 0.805 177.078 176.300 -0.044 0.000 1.074 51 R CA 0.055 56.150 56.100 -0.008 0.000 0.991 51 R CB 0.082 30.363 30.300 -0.030 0.000 0.895 51 R HN 0.225 nan 8.270 nan 0.000 0.450 52 M N 0.443 119.982 119.600 -0.102 0.000 2.248 52 M HA -0.051 4.428 4.480 -0.001 0.000 0.337 52 M C 1.321 177.552 176.300 -0.116 0.000 1.121 52 M CA 0.326 55.462 55.300 -0.273 0.000 1.155 52 M CB 1.341 33.484 32.600 -0.762 0.000 1.514 52 M HN 0.041 nan 8.290 nan 0.000 0.452 53 S N 0.933 116.557 115.700 -0.128 0.000 2.503 53 S HA 0.143 4.612 4.470 -0.001 0.000 0.215 53 S C 0.583 175.283 174.600 0.167 0.000 1.003 53 S CA -0.330 57.895 58.200 0.042 0.000 0.910 53 S CB -0.148 63.055 63.200 0.005 0.000 0.790 53 S HN 0.776 nan 8.310 nan 0.000 0.514 54 F N 0.879 120.759 119.950 -0.117 0.000 3.057 54 F HA -0.150 4.377 4.527 -0.001 0.000 0.287 54 F C 0.162 175.971 175.800 0.015 0.000 0.834 54 F CA 0.293 58.229 58.000 -0.108 0.000 1.147 54 F CB -1.801 37.113 39.000 -0.144 0.000 1.245 54 F HN 0.087 nan 8.300 nan 0.000 0.509 55 K N 1.154 121.629 120.400 0.125 0.000 2.368 55 K HA 0.134 4.454 4.320 -0.001 0.000 0.282 55 K C 0.326 177.030 176.600 0.174 0.000 1.035 55 K CA -0.052 56.312 56.287 0.128 0.000 0.973 55 K CB 0.567 33.105 32.500 0.063 0.000 0.957 55 K HN 0.083 nan 8.250 nan 0.000 0.474 56 D N 3.615 124.131 120.400 0.193 0.000 2.638 56 D HA 0.153 4.792 4.640 -0.001 0.000 0.245 56 D C -0.223 176.125 176.300 0.081 0.000 1.176 56 D CA -0.511 53.614 54.000 0.207 0.000 0.996 56 D CB -0.619 40.316 40.800 0.225 0.000 1.012 56 D HN 0.469 nan 8.370 nan 0.000 0.515 57 I N -1.782 118.823 120.570 0.058 0.000 2.566 57 I HA 0.457 4.627 4.170 -0.001 0.000 0.303 57 I C 0.242 176.352 176.117 -0.011 0.000 0.983 57 I CA -0.939 60.372 61.300 0.019 0.000 1.235 57 I CB 1.274 39.284 38.000 0.017 0.000 1.386 57 I HN -0.156 nan 8.210 nan 0.000 0.494 58 D N 4.280 124.672 120.400 -0.014 0.000 2.363 58 D HA 0.131 4.771 4.640 -0.001 0.000 0.263 58 D C 1.017 177.306 176.300 -0.018 0.000 1.258 58 D CA 0.193 54.178 54.000 -0.024 0.000 0.907 58 D CB 1.446 42.239 40.800 -0.012 0.000 1.107 58 D HN 0.848 nan 8.370 nan 0.000 0.495 59 G N 2.428 111.201 108.800 -0.045 0.000 2.985 59 G HA2 0.407 4.366 3.960 -0.001 0.000 0.209 59 G HA3 0.407 4.366 3.960 -0.001 0.000 0.209 59 G C 0.901 175.806 174.900 0.008 0.000 1.165 59 G CA 0.409 45.487 45.100 -0.038 0.000 0.776 59 G HN 0.895 nan 8.290 nan 0.000 0.541 60 G N -0.583 108.226 108.800 0.015 0.000 2.464 60 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.216 60 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.216 60 G C 1.209 176.133 174.900 0.040 0.000 1.186 60 G CA 0.733 45.853 45.100 0.033 0.000 1.010 60 G HN 1.106 nan 8.290 nan 0.000 0.585 61 V N -3.499 116.437 119.914 0.037 0.000 2.407 61 V HA 0.086 4.205 4.120 -0.001 0.000 0.248 61 V C 1.464 177.590 176.094 0.053 0.000 1.055 61 V CA 2.414 64.718 62.300 0.007 0.000 1.049 61 V CB -0.583 31.207 31.823 -0.055 0.000 0.662 61 V HN 1.437 nan 8.190 nan 0.000 0.455 62 W N 2.689 123.901 121.300 -0.146 0.000 2.422 62 W HA 0.434 5.093 4.660 -0.001 0.000 0.349 62 W C 1.110 177.599 176.519 -0.049 0.000 1.062 62 W CA -1.773 55.486 57.345 -0.144 0.000 1.497 62 W CB 0.281 29.625 29.460 -0.194 0.000 1.407 62 W HN 0.044 nan 8.180 nan 0.000 0.393 63 K N 2.898 123.398 120.400 0.167 0.000 2.209 63 K HA -0.166 4.153 4.320 -0.001 0.000 0.204 63 K C 0.826 177.352 176.600 -0.122 0.000 1.048 63 K CA 1.411 57.698 56.287 -0.001 0.000 0.940 63 K CB 0.129 32.621 32.500 -0.015 0.000 0.729 63 K HN 0.585 nan 8.250 nan 0.000 0.451 64 Q N -0.717 118.962 119.800 -0.201 0.000 2.172 64 Q HA 0.173 4.512 4.340 -0.001 0.000 0.217 64 Q C 0.778 176.413 176.000 -0.607 0.000 0.832 64 Q CA -0.320 55.343 55.803 -0.234 0.000 1.010 64 Q CB 1.353 30.093 28.738 0.003 0.000 1.133 64 Q HN 0.221 nan 8.270 nan 0.000 0.489 65 G N 0.641 108.661 108.800 -1.299 0.000 3.392 65 G HA2 0.525 4.485 3.960 -0.001 0.000 0.185 65 G HA3 0.525 4.485 3.960 -0.001 0.000 0.185 65 G C -1.435 173.172 174.900 -0.488 0.000 1.206 65 G CA -0.318 43.748 45.100 -1.723 0.000 0.776 65 G HN 0.346 nan 8.290 nan 0.000 0.697 66 W N -1.346 119.680 121.300 -0.456 0.000 2.988 66 W HA 0.635 5.294 4.660 -0.001 0.000 0.355 66 W C -1.461 175.146 176.519 0.147 0.000 1.233 66 W CA -1.171 56.125 57.345 -0.081 0.000 1.176 66 W CB 0.671 30.097 29.460 -0.057 0.000 1.477 66 W HN 0.182 nan 8.180 nan 0.000 0.582 67 N N 2.178 121.023 118.700 0.241 0.000 2.402 67 N HA 0.205 4.945 4.740 -0.001 0.000 0.259 67 N C -0.295 175.338 175.510 0.204 0.000 1.167 67 N CA 0.060 53.205 53.050 0.159 0.000 0.949 67 N CB 0.266 38.848 38.487 0.159 0.000 1.212 67 N HN 0.410 nan 8.380 nan 0.000 0.493 68 I N 2.058 122.652 120.570 0.041 0.000 2.556 68 I HA 0.005 4.174 4.170 -0.001 0.000 0.284 68 I C 0.894 177.160 176.117 0.249 0.000 1.114 68 I CA 0.320 61.713 61.300 0.155 0.000 1.418 68 I CB 0.494 38.536 38.000 0.070 0.000 1.394 68 I HN 0.094 nan 8.210 nan 0.000 0.552 69 K N 6.502 127.087 120.400 0.308 0.000 2.259 69 K HA 0.542 4.861 4.320 -0.001 0.000 0.252 69 K C -1.302 175.459 176.600 0.269 0.000 0.936 69 K CA -0.760 55.644 56.287 0.196 0.000 0.810 69 K CB 2.314 34.898 32.500 0.141 0.000 1.143 69 K HN 0.491 nan 8.250 nan 0.000 0.427 70 Y N -1.775 118.613 120.300 0.147 0.000 2.576 70 Y HA 0.396 4.945 4.550 -0.001 0.000 0.346 70 Y C -0.798 175.173 175.900 0.118 0.000 1.018 70 Y CA -1.518 56.669 58.100 0.145 0.000 1.050 70 Y CB 1.142 39.707 38.460 0.175 0.000 1.280 70 Y HN 0.389 nan 8.280 nan 0.000 0.474 71 D N 3.157 123.705 120.400 0.246 0.000 2.325 71 D HA 0.297 4.936 4.640 -0.001 0.000 0.251 71 D C -1.881 174.582 176.300 0.272 0.000 1.196 71 D CA -2.504 51.587 54.000 0.152 0.000 0.866 71 D CB 1.607 42.469 40.800 0.103 0.000 1.101 71 D HN 0.394 nan 8.370 nan 0.000 0.476 72 P HA -0.079 nan 4.420 nan 0.000 0.219 72 P C 1.176 178.623 177.300 0.244 0.000 1.146 72 P CA 0.874 64.161 63.100 0.311 0.000 0.808 72 P CB 0.204 32.017 31.700 0.188 0.000 0.779 73 L N -1.030 120.286 121.223 0.155 0.000 2.599 73 L HA 0.074 4.413 4.340 -0.001 0.000 0.230 73 L C 2.322 179.238 176.870 0.077 0.000 1.141 73 L CA 0.429 55.337 54.840 0.114 0.000 0.877 73 L CB -0.572 41.531 42.059 0.074 0.000 1.009 73 L HN -0.027 nan 8.230 nan 0.000 0.447 74 K N 0.663 121.090 120.400 0.045 0.000 2.097 74 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 74 K C -0.052 176.419 176.600 -0.215 0.000 1.049 74 K CA 1.143 57.343 56.287 -0.144 0.000 0.933 74 K CB 0.086 32.423 32.500 -0.273 0.000 0.717 74 K HN 0.132 nan 8.250 nan 0.000 0.442 75 Y N 1.073 121.501 120.300 0.215 0.000 2.342 75 Y HA 0.224 4.773 4.550 -0.000 0.000 0.334 75 Y C 0.315 176.310 175.900 0.159 0.000 1.067 75 Y CA -1.077 57.142 58.100 0.200 0.000 1.128 75 Y CB 1.254 39.777 38.460 0.106 0.000 1.200 75 Y HN 0.221 nan 8.280 nan 0.000 0.464 76 N N 0.596 119.479 118.700 0.304 0.000 3.204 76 N HA 0.351 5.091 4.740 -0.001 0.000 0.285 76 N C 0.180 175.781 175.510 0.152 0.000 1.536 76 N CA -0.245 52.928 53.050 0.205 0.000 0.832 76 N CB 0.849 39.450 38.487 0.189 0.000 1.645 76 N HN 0.582 nan 8.380 nan 0.000 0.586 77 A N -0.320 122.546 122.820 0.077 0.000 1.986 77 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 77 A C 1.263 178.752 177.584 -0.158 0.000 1.171 77 A CA 1.406 53.396 52.037 -0.077 0.000 0.640 77 A CB -1.125 17.768 19.000 -0.179 0.000 0.811 77 A HN 0.707 nan 8.150 nan 0.000 0.451 78 H N -2.819 116.310 119.070 0.098 0.000 2.551 78 H HA 0.107 4.663 4.556 -0.001 0.000 0.271 78 H C -0.116 175.324 175.328 0.186 0.000 0.984 78 H CA 0.540 56.652 56.048 0.106 0.000 1.164 78 H CB 0.183 29.994 29.762 0.081 0.000 1.437 78 H HN 0.667 nan 8.280 nan 0.000 0.550 79 H N 0.795 119.964 119.070 0.164 0.000 2.895 79 H HA 0.207 4.763 4.556 -0.000 0.000 0.282 79 H C -0.719 174.766 175.328 0.261 0.000 1.338 79 H CA -0.291 55.865 56.048 0.180 0.000 1.595 79 H CB 0.627 30.482 29.762 0.154 0.000 1.771 79 H HN 0.085 nan 8.280 nan 0.000 0.573 80 K N 2.457 122.834 120.400 -0.038 0.000 2.087 80 K HA 0.187 4.507 4.320 -0.001 0.000 0.255 80 K C -0.314 176.099 176.600 -0.313 0.000 0.988 80 K CA -1.101 55.127 56.287 -0.098 0.000 0.915 80 K CB 2.031 34.461 32.500 -0.116 0.000 1.043 80 K HN 0.191 nan 8.250 nan 0.000 0.457 81 L N 2.591 123.482 121.223 -0.554 0.000 2.281 81 L HA 0.154 4.493 4.340 -0.001 0.000 0.285 81 L C -0.789 175.809 176.870 -0.453 0.000 1.074 81 L CA 0.298 54.702 54.840 -0.726 0.000 0.817 81 L CB 0.217 41.665 42.059 -1.017 0.000 1.168 81 L HN 0.371 nan 8.230 nan 0.000 0.434 82 K N 4.481 124.649 120.400 -0.387 0.000 2.234 82 K HA 0.540 4.859 4.320 -0.001 0.000 0.277 82 K C -1.165 175.112 176.600 -0.538 0.000 1.038 82 K CA -0.550 55.472 56.287 -0.441 0.000 0.888 82 K CB 1.569 33.868 32.500 -0.334 0.000 1.091 82 K HN 0.401 nan 8.250 nan 0.000 0.467 83 V N 4.797 124.270 119.914 -0.735 0.000 2.384 83 V HA 0.378 4.497 4.120 -0.001 0.000 0.287 83 V C -0.859 174.694 176.094 -0.902 0.000 1.020 83 V CA -0.791 61.028 62.300 -0.802 0.000 0.850 83 V CB 0.644 31.814 31.823 -1.087 0.000 0.987 83 V HN 0.568 nan 8.190 nan 0.000 0.436 84 F N 3.649 123.347 119.950 -0.420 0.000 2.361 84 F HA 0.499 5.026 4.527 -0.001 0.000 0.364 84 F C 0.171 175.787 175.800 -0.306 0.000 1.117 84 F CA -0.735 57.072 58.000 -0.321 0.000 1.071 84 F CB 1.770 40.650 39.000 -0.200 0.000 1.188 84 F HN 0.192 nan 8.300 nan 0.000 0.464 85 V N 5.167 125.039 119.914 -0.071 0.000 2.385 85 V HA 0.271 4.390 4.120 -0.001 0.000 0.269 85 V C -0.204 175.993 176.094 0.172 0.000 1.043 85 V CA -0.624 61.702 62.300 0.045 0.000 0.906 85 V CB 1.236 33.158 31.823 0.165 0.000 0.995 85 V HN 0.434 nan 8.190 nan 0.000 0.467 86 V N 8.348 128.309 119.914 0.078 0.000 2.275 86 V HA 0.314 4.433 4.120 -0.001 0.000 0.272 86 V C -2.360 173.768 176.094 0.056 0.000 1.028 86 V CA -1.948 60.362 62.300 0.017 0.000 0.810 86 V CB 1.390 33.125 31.823 -0.146 0.000 1.043 86 V HN 0.718 nan 8.190 nan 0.000 0.453 87 P HA 0.326 nan 4.420 nan 0.000 0.271 87 P C -0.830 176.472 177.300 0.002 0.000 1.216 87 P CA 0.267 63.354 63.100 -0.022 0.000 0.771 87 P CB 0.349 31.872 31.700 -0.295 0.000 0.864 88 H N -1.184 117.885 119.070 -0.003 0.000 2.990 88 H HA 0.795 5.350 4.556 -0.001 0.000 0.336 88 H C -1.494 173.949 175.328 0.191 0.000 1.306 88 H CA -1.125 54.827 56.048 -0.160 0.000 1.118 88 H CB 0.975 30.584 29.762 -0.255 0.000 1.856 88 H HN 0.206 nan 8.280 nan 0.000 0.538 89 S N 0.615 116.355 115.700 0.066 0.000 2.720 89 S HA 0.215 4.684 4.470 -0.001 0.000 0.278 89 S C -1.849 172.703 174.600 -0.081 0.000 1.172 89 S CA -0.669 57.611 58.200 0.133 0.000 1.019 89 S CB 0.219 63.680 63.200 0.434 0.000 1.049 89 S HN 0.850 nan 8.310 nan 0.000 0.483 90 H N 4.083 123.076 119.070 -0.128 0.000 2.723 90 H HA 0.524 5.079 4.556 -0.001 0.000 0.294 90 H C -0.632 174.328 175.328 -0.613 0.000 1.079 90 H CA 0.155 56.041 56.048 -0.270 0.000 1.411 90 H CB 0.288 29.959 29.762 -0.150 0.000 1.439 90 H HN 0.518 nan 8.280 nan 0.000 0.474 91 N N 4.630 122.704 118.700 -1.044 0.000 2.564 91 N HA 0.129 4.869 4.740 -0.001 0.000 0.248 91 N C -1.411 173.681 175.510 -0.697 0.000 0.986 91 N CA -0.674 51.677 53.050 -1.165 0.000 0.921 91 N CB 0.974 39.062 38.487 -0.665 0.000 1.136 91 N HN 0.570 nan 8.380 nan 0.000 0.509 92 D N 2.336 122.350 120.400 -0.644 0.000 2.371 92 D HA 0.096 4.735 4.640 -0.001 0.000 0.256 92 D C -2.033 174.344 176.300 0.129 0.000 1.193 92 D CA -1.058 52.841 54.000 -0.169 0.000 0.881 92 D CB 1.133 42.083 40.800 0.250 0.000 1.143 92 D HN 0.272 nan 8.370 nan 0.000 0.473 93 P HA 0.192 nan 4.420 nan 0.000 0.231 93 P C 0.020 177.519 177.300 0.332 0.000 1.756 93 P CA -0.039 63.074 63.100 0.022 0.000 0.990 93 P CB 0.147 31.726 31.700 -0.201 0.000 1.973 94 G N 0.224 109.396 108.800 0.619 0.000 2.911 94 G HA2 0.017 3.976 3.960 -0.001 0.000 0.686 94 G HA3 0.017 3.976 3.960 -0.001 0.000 0.686 94 G C -1.070 174.362 174.900 0.886 0.000 1.136 94 G CA -0.595 44.891 45.100 0.643 0.000 0.764 94 G HN 0.358 nan 8.290 nan 0.000 0.626 95 W N 2.045 123.689 121.300 0.574 0.000 4.511 95 W HA 0.235 4.894 4.660 -0.001 0.000 0.159 95 W C 1.674 178.384 176.519 0.317 0.000 3.471 95 W CA 1.626 59.278 57.345 0.511 0.000 1.173 95 W CB -0.930 28.910 29.460 0.634 0.000 2.090 95 W HN 1.014 nan 8.180 nan 0.000 0.393 96 I N 1.080 121.662 120.570 0.019 0.000 3.228 96 I HA 0.333 4.503 4.170 -0.001 0.000 0.279 96 I C 0.479 176.497 176.117 -0.164 0.000 1.221 96 I CA 0.928 62.064 61.300 -0.274 0.000 1.458 96 I CB -0.320 37.392 38.000 -0.480 0.000 1.105 96 I HN -0.017 nan 8.210 nan 0.000 0.445 97 Q N 1.234 120.787 119.800 -0.412 0.000 2.378 97 Q HA 0.472 4.811 4.340 -0.001 0.000 0.276 97 Q C -0.111 175.653 176.000 -0.394 0.000 1.083 97 Q CA -0.708 54.791 55.803 -0.507 0.000 0.856 97 Q CB 1.650 29.833 28.738 -0.925 0.000 1.383 97 Q HN 0.393 nan 8.270 nan 0.000 0.458 98 T N -2.228 112.205 114.554 -0.202 0.000 2.766 98 T HA 0.105 4.455 4.350 -0.001 0.000 0.295 98 T C 0.769 175.556 174.700 0.146 0.000 1.024 98 T CA -0.466 61.591 62.100 -0.072 0.000 1.018 98 T CB 0.293 69.147 68.868 -0.024 0.000 1.002 98 T HN 0.572 nan 8.240 nan 0.000 0.532 99 F N 1.130 121.148 119.950 0.113 0.000 2.063 99 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 99 F C 2.475 178.459 175.800 0.307 0.000 1.109 99 F CA 2.368 60.511 58.000 0.239 0.000 1.212 99 F CB -0.310 38.723 39.000 0.055 0.000 0.973 99 F HN 0.773 nan 8.300 nan 0.000 0.480 100 E N 0.386 120.803 120.200 0.362 0.000 2.106 100 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 100 E C 2.005 178.658 176.600 0.089 0.000 0.984 100 E CA 1.703 58.256 56.400 0.255 0.000 0.806 100 E CB -0.258 29.578 29.700 0.228 0.000 0.750 100 E HN 0.608 nan 8.360 nan 0.000 0.458 101 E N -1.001 119.198 120.200 -0.001 0.000 2.051 101 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 101 E C 1.848 178.299 176.600 -0.248 0.000 0.991 101 E CA 1.213 57.479 56.400 -0.224 0.000 0.799 101 E CB -0.260 29.382 29.700 -0.096 0.000 0.748 101 E HN 0.329 nan 8.360 nan 0.000 0.449 102 Y N -0.520 119.764 120.300 -0.027 0.000 2.224 102 Y HA -0.252 4.298 4.550 -0.001 0.000 0.289 102 Y C 2.192 178.036 175.900 -0.093 0.000 1.146 102 Y CA 1.166 59.231 58.100 -0.058 0.000 1.182 102 Y CB -0.749 37.764 38.460 0.088 0.000 0.983 102 Y HN 0.193 nan 8.280 nan 0.000 0.524 103 Y N 0.864 121.170 120.300 0.011 0.000 2.128 103 Y HA -0.284 4.265 4.550 -0.001 0.000 0.284 103 Y C 2.285 178.135 175.900 -0.085 0.000 1.154 103 Y CA 1.929 59.980 58.100 -0.080 0.000 1.149 103 Y CB -0.311 38.111 38.460 -0.062 0.000 0.976 103 Y HN 0.056 nan 8.280 nan 0.000 0.505 104 Q N -0.792 118.910 119.800 -0.162 0.000 2.123 104 Q HA -0.148 4.192 4.340 -0.001 0.000 0.199 104 Q C 2.022 177.969 176.000 -0.090 0.000 0.966 104 Q CA 2.045 57.712 55.803 -0.228 0.000 0.845 104 Q CB -0.477 28.146 28.738 -0.192 0.000 0.907 104 Q HN 0.777 nan 8.270 nan 0.000 0.439 105 H N -0.816 118.281 119.070 0.045 0.000 2.497 105 H HA 0.077 4.633 4.556 -0.001 0.000 0.282 105 H C 0.933 176.357 175.328 0.160 0.000 1.003 105 H CA 0.578 56.685 56.048 0.098 0.000 1.307 105 H CB 0.707 30.489 29.762 0.033 0.000 1.437 105 H HN 0.174 nan 8.280 nan 0.000 0.544 106 D N -1.028 119.482 120.400 0.184 0.000 3.081 106 D HA 0.014 4.653 4.640 -0.001 0.000 0.243 106 D C 1.707 178.064 176.300 0.095 0.000 1.388 106 D CA 0.563 54.655 54.000 0.155 0.000 1.245 106 D CB 0.052 40.840 40.800 -0.019 0.000 1.319 106 D HN 0.060 nan 8.370 nan 0.000 0.377 107 T N 2.494 117.013 114.554 -0.057 0.000 2.821 107 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 107 T C 1.939 176.461 174.700 -0.296 0.000 1.046 107 T CA 1.458 63.479 62.100 -0.131 0.000 1.139 107 T CB -0.073 68.531 68.868 -0.441 0.000 0.871 107 T HN 0.236 nan 8.240 nan 0.000 0.454 108 K N 0.865 120.894 120.400 -0.619 0.000 2.147 108 K HA -0.164 4.156 4.320 -0.001 0.000 0.205 108 K C 1.952 178.287 176.600 -0.442 0.000 1.049 108 K CA 1.468 57.356 56.287 -0.666 0.000 0.936 108 K CB -0.390 31.486 32.500 -1.039 0.000 0.722 108 K HN 0.408 nan 8.250 nan 0.000 0.446 109 H N 0.975 119.963 119.070 -0.137 0.000 2.363 109 H HA 0.041 4.596 4.556 -0.001 0.000 0.301 109 H C 2.311 177.639 175.328 -0.001 0.000 1.074 109 H CA 1.455 57.483 56.048 -0.033 0.000 1.354 109 H CB -0.177 29.595 29.762 0.016 0.000 1.397 109 H HN 0.196 nan 8.280 nan 0.000 0.516 110 I N 0.812 121.464 120.570 0.136 0.000 2.163 110 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 110 I C 2.469 178.601 176.117 0.026 0.000 1.085 110 I CA 1.177 62.603 61.300 0.210 0.000 1.347 110 I CB -0.294 37.903 38.000 0.330 0.000 1.044 110 I HN 0.091 nan 8.210 nan 0.000 0.408 111 L N -0.467 120.552 121.223 -0.339 0.000 2.093 111 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 111 L C 2.732 179.236 176.870 -0.610 0.000 1.085 111 L CA 1.211 55.601 54.840 -0.751 0.000 0.755 111 L CB -0.533 40.539 42.059 -1.646 0.000 0.904 111 L HN 0.234 nan 8.230 nan 0.000 0.435 112 S N 0.168 115.633 115.700 -0.391 0.000 2.368 112 S HA -0.151 4.318 4.470 -0.001 0.000 0.225 112 S C 1.804 176.368 174.600 -0.060 0.000 1.030 112 S CA 1.512 59.726 58.200 0.022 0.000 0.999 112 S CB -0.165 63.119 63.200 0.141 0.000 0.844 112 S HN 0.444 nan 8.310 nan 0.000 0.459 113 N N 1.492 120.142 118.700 -0.082 0.000 2.354 113 N HA 0.126 4.866 4.740 -0.001 0.000 0.179 113 N C 1.798 176.925 175.510 -0.639 0.000 1.021 113 N CA 1.035 53.957 53.050 -0.214 0.000 0.887 113 N CB -0.708 37.769 38.487 -0.018 0.000 0.974 113 N HN 0.494 nan 8.380 nan 0.000 0.437 114 A N 1.256 123.775 122.820 -0.502 0.000 1.877 114 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 114 A C 2.196 179.486 177.584 -0.490 0.000 1.186 114 A CA 0.953 52.530 52.037 -0.766 0.000 0.620 114 A CB -0.714 18.110 19.000 -0.293 0.000 0.822 114 A HN 0.218 nan 8.150 nan 0.000 0.443 115 L N 0.137 121.223 121.223 -0.227 0.000 2.012 115 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 115 L C 2.476 179.276 176.870 -0.117 0.000 1.073 115 L CA 2.585 57.376 54.840 -0.083 0.000 0.748 115 L CB -0.711 41.376 42.059 0.047 0.000 0.891 115 L HN 0.508 nan 8.230 nan 0.000 0.431 116 R N -1.759 118.643 120.500 -0.163 0.000 2.073 116 R HA -0.249 4.090 4.340 -0.001 0.000 0.234 116 R C 2.422 178.624 176.300 -0.165 0.000 1.134 116 R CA 1.972 57.996 56.100 -0.126 0.000 0.952 116 R CB -0.543 29.691 30.300 -0.110 0.000 0.850 116 R HN 0.555 nan 8.270 nan 0.000 0.433 117 H N -0.326 118.453 119.070 -0.484 0.000 2.389 117 H HA -0.038 4.517 4.556 -0.001 0.000 0.299 117 H C 1.798 176.907 175.328 -0.365 0.000 1.081 117 H CA 1.635 57.373 56.048 -0.517 0.000 1.345 117 H CB 0.110 29.268 29.762 -1.006 0.000 1.393 117 H HN 0.115 nan 8.280 nan 0.000 0.520 118 L N -0.267 120.777 121.223 -0.299 0.000 2.056 118 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 118 L C 2.515 179.335 176.870 -0.085 0.000 1.078 118 L CA 1.812 56.557 54.840 -0.159 0.000 0.749 118 L CB -1.025 40.966 42.059 -0.113 0.000 0.901 118 L HN 0.499 nan 8.230 nan 0.000 0.433 119 H N -0.198 118.788 119.070 -0.139 0.000 2.319 119 H HA -0.188 4.368 4.556 -0.001 0.000 0.297 119 H C 1.105 176.369 175.328 -0.107 0.000 1.097 119 H CA 2.030 58.023 56.048 -0.092 0.000 1.285 119 H CB 0.291 30.009 29.762 -0.074 0.000 1.368 119 H HN 0.321 nan 8.280 nan 0.000 0.495 120 D N 0.251 120.554 120.400 -0.162 0.000 2.347 120 D HA 0.005 4.645 4.640 -0.001 0.000 0.213 120 D C -0.023 176.141 176.300 -0.227 0.000 0.985 120 D CA 0.460 54.331 54.000 -0.215 0.000 0.879 120 D CB 0.045 40.745 40.800 -0.167 0.000 0.919 120 D HN 0.322 nan 8.370 nan 0.000 0.526 121 N N 0.703 119.268 118.700 -0.225 0.000 2.716 121 N HA 0.143 4.883 4.740 -0.001 0.000 0.253 121 N C -2.200 173.266 175.510 -0.074 0.000 1.170 121 N CA -1.066 51.892 53.050 -0.152 0.000 0.807 121 N CB 2.359 40.726 38.487 -0.200 0.000 1.183 121 N HN -0.135 nan 8.380 nan 0.000 0.524 122 P HA -0.094 nan 4.420 nan 0.000 0.221 122 P C 0.773 178.089 177.300 0.026 0.000 1.145 122 P CA 1.306 64.388 63.100 -0.029 0.000 0.795 122 P CB 0.576 32.256 31.700 -0.033 0.000 0.775 123 E N -2.131 118.112 120.200 0.072 0.000 2.442 123 E HA 0.070 4.419 4.350 -0.001 0.000 0.195 123 E C 0.715 177.443 176.600 0.212 0.000 1.030 123 E CA 0.067 56.557 56.400 0.151 0.000 0.869 123 E CB -0.510 29.309 29.700 0.199 0.000 0.857 123 E HN 0.152 nan 8.360 nan 0.000 0.505 124 M N 1.316 120.980 119.600 0.107 0.000 2.243 124 M HA 0.151 4.630 4.480 -0.001 0.000 0.341 124 M C -0.675 175.617 176.300 -0.013 0.000 1.130 124 M CA 0.104 55.381 55.300 -0.038 0.000 1.162 124 M CB 0.453 33.033 32.600 -0.033 0.000 1.497 124 M HN -0.323 nan 8.290 nan 0.000 0.456 125 K N 3.325 123.683 120.400 -0.069 0.000 2.400 125 K HA 0.668 4.988 4.320 -0.001 0.000 0.246 125 K C -1.658 174.992 176.600 0.083 0.000 0.995 125 K CA -0.502 55.800 56.287 0.026 0.000 0.840 125 K CB 2.144 34.683 32.500 0.065 0.000 1.293 125 K HN 0.669 nan 8.250 nan 0.000 0.445 126 F N 1.359 121.234 119.950 -0.125 0.000 2.672 126 F HA 0.426 4.952 4.527 -0.001 0.000 0.311 126 F C -1.464 174.237 175.800 -0.166 0.000 1.113 126 F CA -1.271 56.643 58.000 -0.142 0.000 0.996 126 F CB 1.034 40.029 39.000 -0.010 0.000 1.286 126 F HN 0.471 nan 8.300 nan 0.000 0.441 127 I N 1.845 122.067 120.570 -0.580 0.000 2.648 127 I HA 0.612 4.782 4.170 -0.001 0.000 0.304 127 I C -1.719 173.972 176.117 -0.710 0.000 1.009 127 I CA -0.605 60.327 61.300 -0.613 0.000 1.114 127 I CB 2.514 40.102 38.000 -0.687 0.000 1.293 127 I HN 0.697 nan 8.210 nan 0.000 0.449 128 W N 4.449 125.361 121.300 -0.648 0.000 2.957 128 W HA 0.628 5.288 4.660 -0.001 0.000 0.336 128 W C -0.731 175.710 176.519 -0.130 0.000 1.087 128 W CA -0.531 56.569 57.345 -0.409 0.000 1.235 128 W CB 2.684 31.962 29.460 -0.303 0.000 1.399 128 W HN 0.791 nan 8.180 nan 0.000 0.480 129 A N 3.420 125.892 122.820 -0.580 0.000 1.984 129 A HA 0.152 4.471 4.320 -0.001 0.000 0.203 129 A C 0.004 177.535 177.584 -0.088 0.000 1.292 129 A CA 0.529 52.447 52.037 -0.199 0.000 0.782 129 A CB -0.012 18.924 19.000 -0.106 0.000 0.924 129 A HN 0.508 nan 8.150 nan 0.000 0.475 130 E N 1.022 121.051 120.200 -0.284 0.000 2.001 130 E HA 0.306 4.656 4.350 -0.001 0.000 0.279 130 E C 0.434 177.187 176.600 0.255 0.000 1.045 130 E CA -0.285 56.115 56.400 0.000 0.000 0.833 130 E CB 0.753 30.441 29.700 -0.019 0.000 1.077 130 E HN 0.279 nan 8.360 nan 0.000 0.397 131 I N 1.496 122.114 120.570 0.080 0.000 2.676 131 I HA -0.199 3.970 4.170 -0.001 0.000 0.259 131 I C 1.978 177.748 176.117 -0.579 0.000 1.194 131 I CA 0.923 62.200 61.300 -0.038 0.000 1.473 131 I CB -1.383 36.646 38.000 0.048 0.000 1.096 131 I HN 0.415 nan 8.210 nan 0.000 0.443 132 S N 0.761 115.806 115.700 -1.092 0.000 2.365 132 S HA -0.262 4.207 4.470 -0.001 0.000 0.225 132 S C 2.193 176.484 174.600 -0.514 0.000 1.039 132 S CA 1.309 58.483 58.200 -1.709 0.000 1.033 132 S CB -1.130 61.124 63.200 -1.577 0.000 0.887 132 S HN 0.481 nan 8.310 nan 0.000 0.447 133 Y N 0.033 120.335 120.300 0.004 0.000 2.220 133 Y HA 0.052 4.601 4.550 -0.001 0.000 0.291 133 Y C 2.313 178.285 175.900 0.121 0.000 1.129 133 Y CA 1.036 59.245 58.100 0.181 0.000 1.161 133 Y CB -0.388 38.288 38.460 0.360 0.000 0.997 133 Y HN 0.299 nan 8.280 nan 0.000 0.522 134 F N 0.263 120.310 119.950 0.162 0.000 2.134 134 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 134 F C 2.347 178.025 175.800 -0.203 0.000 1.097 134 F CA 1.191 59.177 58.000 -0.024 0.000 1.264 134 F CB -0.514 38.465 39.000 -0.035 0.000 1.001 134 F HN -0.018 nan 8.300 nan 0.000 0.479 135 A N 0.321 122.821 122.820 -0.533 0.000 1.908 135 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 135 A C 2.164 179.602 177.584 -0.244 0.000 1.181 135 A CA 1.938 53.421 52.037 -0.924 0.000 0.627 135 A CB -0.778 17.499 19.000 -1.205 0.000 0.818 135 A HN 0.397 nan 8.150 nan 0.000 0.445 136 R N -0.721 119.682 120.500 -0.161 0.000 2.070 136 R HA -0.141 4.198 4.340 -0.001 0.000 0.233 136 R C 1.790 178.088 176.300 -0.004 0.000 1.137 136 R CA 2.175 58.216 56.100 -0.099 0.000 0.945 136 R CB -1.234 28.925 30.300 -0.235 0.000 0.845 136 R HN 0.458 nan 8.270 nan 0.000 0.430 137 F N 0.023 119.923 119.950 -0.083 0.000 2.095 137 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 137 F C 2.058 177.803 175.800 -0.092 0.000 1.104 137 F CA 2.007 60.005 58.000 -0.003 0.000 1.232 137 F CB -0.861 38.073 39.000 -0.109 0.000 0.987 137 F HN 0.192 nan 8.300 nan 0.000 0.475 138 Y N -0.128 120.001 120.300 -0.284 0.000 2.181 138 Y HA -0.264 4.286 4.550 -0.001 0.000 0.288 138 Y C 2.769 178.586 175.900 -0.139 0.000 1.146 138 Y CA 2.287 60.246 58.100 -0.235 0.000 1.164 138 Y CB -0.990 37.509 38.460 0.064 0.000 0.982 138 Y HN 0.314 nan 8.280 nan 0.000 0.515 139 H N -0.230 118.835 119.070 -0.008 0.000 2.387 139 H HA -0.159 4.397 4.556 -0.001 0.000 0.299 139 H C 1.429 176.642 175.328 -0.190 0.000 1.099 139 H CA 2.326 58.330 56.048 -0.074 0.000 1.315 139 H CB -0.265 29.502 29.762 0.009 0.000 1.380 139 H HN 0.314 nan 8.280 nan 0.000 0.513 140 D N -0.056 120.222 120.400 -0.204 0.000 2.355 140 D HA 0.033 4.673 4.640 -0.001 0.000 0.218 140 D C 0.264 176.346 176.300 -0.363 0.000 1.004 140 D CA 0.162 54.018 54.000 -0.240 0.000 0.880 140 D CB -0.013 40.728 40.800 -0.097 0.000 0.911 140 D HN 0.357 nan 8.370 nan 0.000 0.528 141 L N 0.758 121.671 121.223 -0.517 0.000 2.426 141 L HA 0.251 4.591 4.340 -0.001 0.000 0.271 141 L C 1.446 178.087 176.870 -0.381 0.000 1.169 141 L CA -0.500 54.036 54.840 -0.506 0.000 0.836 141 L CB 0.711 42.397 42.059 -0.621 0.000 1.112 141 L HN -0.033 nan 8.230 nan 0.000 0.465 142 G N 0.926 109.560 108.800 -0.277 0.000 2.636 142 G HA2 0.002 3.961 3.960 -0.001 0.000 0.246 142 G HA3 0.002 3.961 3.960 -0.001 0.000 0.246 142 G C 0.679 175.456 174.900 -0.206 0.000 1.216 142 G CA -0.295 44.681 45.100 -0.207 0.000 0.854 142 G HN 0.792 nan 8.290 nan 0.000 0.572 143 E N 0.207 120.315 120.200 -0.152 0.000 2.085 143 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 143 E C 2.220 178.766 176.600 -0.090 0.000 0.994 143 E CA 1.504 57.833 56.400 -0.117 0.000 0.801 143 E CB -0.204 29.453 29.700 -0.072 0.000 0.743 143 E HN 0.608 nan 8.360 nan 0.000 0.453 144 N N 0.434 119.084 118.700 -0.083 0.000 2.069 144 N HA -0.214 4.525 4.740 -0.001 0.000 0.191 144 N C 1.505 176.969 175.510 -0.076 0.000 1.031 144 N CA 1.650 54.660 53.050 -0.067 0.000 0.852 144 N CB -0.030 38.416 38.487 -0.068 0.000 1.018 144 N HN 0.157 nan 8.380 nan 0.000 0.423 145 K N 0.557 120.891 120.400 -0.110 0.000 2.155 145 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 145 K C 2.157 178.711 176.600 -0.076 0.000 1.052 145 K CA 0.686 56.909 56.287 -0.107 0.000 0.948 145 K CB 0.072 32.489 32.500 -0.139 0.000 0.728 145 K HN 0.197 nan 8.250 nan 0.000 0.448 146 K N 0.954 121.263 120.400 -0.151 0.000 2.032 146 K HA -0.135 4.185 4.320 -0.001 0.000 0.209 146 K C 2.076 178.755 176.600 0.131 0.000 1.048 146 K CA 1.274 57.487 56.287 -0.124 0.000 0.927 146 K CB -0.171 32.147 32.500 -0.304 0.000 0.712 146 K HN 0.093 nan 8.250 nan 0.000 0.441 147 L N 0.970 122.232 121.223 0.066 0.000 2.056 147 L HA -0.216 4.124 4.340 -0.001 0.000 0.207 147 L C 2.568 179.501 176.870 0.105 0.000 1.078 147 L CA 1.259 56.156 54.840 0.095 0.000 0.749 147 L CB -0.396 41.693 42.059 0.051 0.000 0.901 147 L HN 0.252 nan 8.230 nan 0.000 0.433 148 Q N -0.827 119.010 119.800 0.063 0.000 2.096 148 Q HA -0.275 4.065 4.340 -0.001 0.000 0.204 148 Q C 2.217 178.301 176.000 0.140 0.000 0.982 148 Q CA 1.779 57.620 55.803 0.063 0.000 0.850 148 Q CB -0.212 28.486 28.738 -0.066 0.000 0.901 148 Q HN 0.370 nan 8.270 nan 0.000 0.422 149 M N 1.136 120.855 119.600 0.198 0.000 2.086 149 M HA -0.151 4.329 4.480 -0.001 0.000 0.261 149 M C 1.611 178.105 176.300 0.324 0.000 1.067 149 M CA 1.785 57.276 55.300 0.319 0.000 1.116 149 M CB 0.034 32.931 32.600 0.495 0.000 1.348 149 M HN -0.105 nan 8.290 nan 0.000 0.407 150 K N -1.005 119.585 120.400 0.317 0.000 2.103 150 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 150 K C 2.265 178.969 176.600 0.174 0.000 1.048 150 K CA 1.593 58.029 56.287 0.248 0.000 0.930 150 K CB -0.431 32.202 32.500 0.221 0.000 0.716 150 K HN 0.386 nan 8.250 nan 0.000 0.444 151 S N 1.247 117.039 115.700 0.153 0.000 2.368 151 S HA -0.081 4.388 4.470 -0.001 0.000 0.224 151 S C 1.908 176.571 174.600 0.105 0.000 1.029 151 S CA 1.123 59.393 58.200 0.117 0.000 0.988 151 S CB -0.224 63.045 63.200 0.116 0.000 0.838 151 S HN 0.400 nan 8.310 nan 0.000 0.462 152 I N -0.816 119.827 120.570 0.122 0.000 2.676 152 I HA 0.047 4.216 4.170 -0.001 0.000 0.259 152 I C 1.822 177.979 176.117 0.067 0.000 1.194 152 I CA 0.700 62.053 61.300 0.088 0.000 1.473 152 I CB -0.342 37.711 38.000 0.088 0.000 1.096 152 I HN 0.092 nan 8.210 nan 0.000 0.443 153 V N 1.514 121.488 119.914 0.100 0.000 2.346 153 V HA -0.185 3.934 4.120 -0.001 0.000 0.244 153 V C 2.701 178.837 176.094 0.070 0.000 1.037 153 V CA 1.993 64.341 62.300 0.081 0.000 1.029 153 V CB -0.726 31.209 31.823 0.187 0.000 0.663 153 V HN 0.419 nan 8.190 nan 0.000 0.454 154 K N 1.432 121.881 120.400 0.082 0.000 2.097 154 K HA -0.223 4.097 4.320 -0.001 0.000 0.206 154 K C 1.779 178.402 176.600 0.038 0.000 1.049 154 K CA 1.842 58.165 56.287 0.059 0.000 0.933 154 K CB -0.207 32.330 32.500 0.061 0.000 0.717 154 K HN 0.667 nan 8.250 nan 0.000 0.442 155 N N -0.592 118.131 118.700 0.038 0.000 2.461 155 N HA -0.006 4.734 4.740 -0.001 0.000 0.188 155 N C 0.836 176.355 175.510 0.015 0.000 1.134 155 N CA 1.096 54.161 53.050 0.025 0.000 0.878 155 N CB 0.406 38.908 38.487 0.026 0.000 0.972 155 N HN 0.317 nan 8.380 nan 0.000 0.456 156 G N -0.283 108.522 108.800 0.009 0.000 2.157 156 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.248 156 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.248 156 G C 0.776 175.668 174.900 -0.013 0.000 0.979 156 G CA 0.481 45.576 45.100 -0.008 0.000 0.650 156 G HN 0.458 nan 8.290 nan 0.000 0.529 157 Q N -1.312 118.487 119.800 -0.002 0.000 2.049 157 Q HA 0.200 4.539 4.340 -0.001 0.000 0.198 157 Q C 1.210 177.206 176.000 -0.008 0.000 0.971 157 Q CA 1.049 56.855 55.803 0.006 0.000 0.833 157 Q CB 0.174 28.921 28.738 0.014 0.000 0.896 157 Q HN 0.580 nan 8.270 nan 0.000 0.434 158 L N 1.299 122.498 121.223 -0.040 0.000 2.272 158 L HA 0.280 4.620 4.340 -0.001 0.000 0.289 158 L C -0.895 175.801 176.870 -0.290 0.000 1.032 158 L CA -0.020 54.745 54.840 -0.125 0.000 0.810 158 L CB 1.388 43.379 42.059 -0.113 0.000 1.205 158 L HN -0.059 nan 8.230 nan 0.000 0.422 159 E N 4.403 124.393 120.200 -0.351 0.000 2.210 159 E HA 0.359 4.708 4.350 -0.001 0.000 0.266 159 E C -1.465 174.863 176.600 -0.452 0.000 0.883 159 E CA -0.706 55.492 56.400 -0.337 0.000 0.761 159 E CB 0.984 30.568 29.700 -0.193 0.000 1.156 159 E HN 0.533 nan 8.360 nan 0.000 0.412 160 F N 3.325 123.228 119.950 -0.078 0.000 2.427 160 F HA 0.238 4.764 4.527 -0.001 0.000 0.352 160 F C 0.276 176.046 175.800 -0.049 0.000 1.100 160 F CA -0.590 57.376 58.000 -0.058 0.000 1.191 160 F CB 1.235 40.212 39.000 -0.039 0.000 1.128 160 F HN 0.191 nan 8.300 nan 0.000 0.533 161 V N 0.013 119.992 119.914 0.108 0.000 2.495 161 V HA 0.613 4.732 4.120 -0.001 0.000 0.298 161 V C 0.229 176.450 176.094 0.212 0.000 1.031 161 V CA -0.519 61.839 62.300 0.097 0.000 0.871 161 V CB 0.904 32.678 31.823 -0.081 0.000 0.988 161 V HN 0.997 nan 8.190 nan 0.000 0.432 162 T N 3.169 117.921 114.554 0.330 0.000 12.940 162 T HA -0.313 4.037 4.350 -0.001 0.000 0.419 162 T C 1.744 176.672 174.700 0.380 0.000 1.444 162 T CA 2.882 65.225 62.100 0.406 0.000 2.373 162 T CB -1.693 67.314 68.868 0.232 0.000 2.821 162 T HN 2.794 nan 8.240 nan 0.000 0.696 163 G N 1.951 110.912 108.800 0.267 0.000 2.137 163 G HA2 0.120 4.079 3.960 -0.001 0.000 0.237 163 G HA3 0.120 4.079 3.960 -0.001 0.000 0.237 163 G C 0.296 175.334 174.900 0.231 0.000 1.002 163 G CA 0.563 45.797 45.100 0.224 0.000 0.702 163 G HN 1.557 nan 8.290 nan 0.000 0.515 164 G N -1.656 107.277 108.800 0.222 0.000 2.572 164 G HA2 0.368 4.327 3.960 -0.001 0.000 0.261 164 G HA3 0.368 4.327 3.960 -0.001 0.000 0.261 164 G C 0.980 176.047 174.900 0.279 0.000 1.197 164 G CA 0.162 45.403 45.100 0.235 0.000 0.870 164 G HN 0.342 nan 8.290 nan 0.000 0.548 165 W N 0.400 121.739 121.300 0.066 0.000 2.342 165 W HA -0.039 4.621 4.660 -0.001 0.000 0.297 165 W C 0.664 177.207 176.519 0.041 0.000 1.213 165 W CA 1.937 59.306 57.345 0.039 0.000 1.251 165 W CB 0.234 29.700 29.460 0.010 0.000 1.136 165 W HN 0.402 nan 8.180 nan 0.000 0.526 166 V N -2.713 117.310 119.914 0.182 0.000 3.156 166 V HA 0.494 4.614 4.120 -0.001 0.000 0.310 166 V C -0.462 175.709 176.094 0.128 0.000 1.234 166 V CA -1.289 61.065 62.300 0.090 0.000 1.065 166 V CB 1.753 33.651 31.823 0.124 0.000 1.088 166 V HN -0.055 nan 8.190 nan 0.000 0.451 167 M N 3.988 123.689 119.600 0.168 0.000 2.152 167 M HA 0.508 4.987 4.480 -0.001 0.000 0.354 167 M C -2.673 173.772 176.300 0.242 0.000 1.173 167 M CA -1.873 53.543 55.300 0.194 0.000 1.110 167 M CB 1.331 34.065 32.600 0.223 0.000 1.366 167 M HN 0.640 nan 8.290 nan 0.000 0.415 168 P HA 0.133 nan 4.420 nan 0.000 0.277 168 P C -0.976 176.327 177.300 0.004 0.000 1.240 168 P CA -0.212 62.931 63.100 0.072 0.000 0.798 168 P CB 0.581 32.314 31.700 0.055 0.000 0.979 169 D N 0.778 121.143 120.400 -0.058 0.000 2.478 169 D HA -0.085 4.554 4.640 -0.001 0.000 0.234 169 D C 0.701 177.012 176.300 0.018 0.000 1.154 169 D CA 0.732 54.683 54.000 -0.082 0.000 0.874 169 D CB 0.456 41.218 40.800 -0.062 0.000 1.198 169 D HN 0.312 nan 8.370 nan 0.000 0.455 170 E N 1.486 121.742 120.200 0.094 0.000 2.511 170 E HA 0.186 4.535 4.350 -0.001 0.000 0.209 170 E C 0.928 177.704 176.600 0.294 0.000 0.986 170 E CA 0.060 56.582 56.400 0.204 0.000 0.974 170 E CB 0.651 30.489 29.700 0.229 0.000 1.030 170 E HN 0.474 nan 8.360 nan 0.000 0.490 171 A N 1.439 124.387 122.820 0.213 0.000 1.901 171 A HA 0.021 4.340 4.320 -0.001 0.000 0.210 171 A C 1.822 179.301 177.584 -0.175 0.000 1.208 171 A CA 0.600 52.537 52.037 -0.165 0.000 0.644 171 A CB 0.049 18.935 19.000 -0.189 0.000 0.863 171 A HN 0.032 nan 8.150 nan 0.000 0.454 172 N N 0.602 119.288 118.700 -0.023 0.000 2.388 172 N HA 0.012 4.751 4.740 -0.001 0.000 0.176 172 N C 0.463 175.967 175.510 -0.010 0.000 1.062 172 N CA 0.758 53.788 53.050 -0.033 0.000 0.895 172 N CB 0.054 38.564 38.487 0.038 0.000 1.018 172 N HN 0.493 nan 8.380 nan 0.000 0.456 173 S N 0.837 116.541 115.700 0.007 0.000 2.562 173 S HA 0.024 4.493 4.470 -0.001 0.000 0.281 173 S C 0.035 174.656 174.600 0.035 0.000 1.333 173 S CA -0.530 57.685 58.200 0.025 0.000 1.052 173 S CB 1.053 64.269 63.200 0.027 0.000 0.884 173 S HN 0.208 nan 8.310 nan 0.000 0.506 174 H N 3.496 122.546 119.070 -0.033 0.000 2.582 174 H HA 0.043 4.599 4.556 -0.001 0.000 0.345 174 H C 1.276 176.578 175.328 -0.042 0.000 1.104 174 H CA -0.239 55.777 56.048 -0.054 0.000 1.390 174 H CB 0.535 30.216 29.762 -0.135 0.000 1.461 174 H HN 1.032 nan 8.280 nan 0.000 0.551 175 W N 6.154 127.344 121.300 -0.183 0.000 2.331 175 W HA -0.171 4.489 4.660 -0.001 0.000 0.291 175 W C 0.980 177.560 176.519 0.101 0.000 1.214 175 W CA 0.513 57.827 57.345 -0.051 0.000 1.228 175 W CB -0.455 28.909 29.460 -0.160 0.000 1.135 175 W HN 0.534 nan 8.180 nan 0.000 0.537 176 R N 0.658 120.811 120.500 -0.579 0.000 2.115 176 R HA -0.115 4.224 4.340 -0.001 0.000 0.230 176 R C 1.845 177.994 176.300 -0.251 0.000 1.111 176 R CA 1.581 57.245 56.100 -0.727 0.000 0.976 176 R CB -0.455 29.331 30.300 -0.858 0.000 0.870 176 R HN 0.206 nan 8.270 nan 0.000 0.445 177 N N 0.180 118.813 118.700 -0.112 0.000 2.376 177 N HA -0.046 4.693 4.740 -0.001 0.000 0.177 177 N C 1.838 177.353 175.510 0.007 0.000 1.024 177 N CA 0.591 53.611 53.050 -0.049 0.000 0.893 177 N CB -0.020 38.454 38.487 -0.021 0.000 0.980 177 N HN -0.019 nan 8.380 nan 0.000 0.439 178 V N 1.488 121.430 119.914 0.046 0.000 2.343 178 V HA -0.174 3.946 4.120 -0.001 0.000 0.247 178 V C 2.331 178.469 176.094 0.073 0.000 1.051 178 V CA 1.099 63.442 62.300 0.072 0.000 1.036 178 V CB -0.478 31.406 31.823 0.101 0.000 0.654 178 V HN 0.190 nan 8.190 nan 0.000 0.451 179 L N -0.298 120.978 121.223 0.089 0.000 2.056 179 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 179 L C 2.176 179.058 176.870 0.020 0.000 1.078 179 L CA 1.783 56.669 54.840 0.076 0.000 0.749 179 L CB -0.713 41.427 42.059 0.134 0.000 0.901 179 L HN 0.282 nan 8.230 nan 0.000 0.433 180 L N -0.056 121.159 121.223 -0.015 0.000 2.012 180 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 180 L C 2.593 179.453 176.870 -0.017 0.000 1.073 180 L CA 2.385 57.203 54.840 -0.036 0.000 0.748 180 L CB -0.760 41.258 42.059 -0.067 0.000 0.891 180 L HN 0.680 nan 8.230 nan 0.000 0.431 181 Q N -1.009 118.803 119.800 0.020 0.000 2.123 181 Q HA -0.192 4.147 4.340 -0.001 0.000 0.199 181 Q C 2.033 178.114 176.000 0.135 0.000 0.966 181 Q CA 2.012 57.861 55.803 0.077 0.000 0.845 181 Q CB -1.163 27.654 28.738 0.133 0.000 0.907 181 Q HN 0.467 nan 8.270 nan 0.000 0.439 182 L N 0.872 122.160 121.223 0.108 0.000 2.046 182 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 182 L C 1.922 178.871 176.870 0.131 0.000 1.077 182 L CA 2.467 57.384 54.840 0.128 0.000 0.747 182 L CB -0.974 41.139 42.059 0.089 0.000 0.896 182 L HN 0.350 nan 8.230 nan 0.000 0.432 183 T N -1.127 113.473 114.554 0.076 0.000 2.821 183 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 183 T C 1.721 176.470 174.700 0.082 0.000 1.046 183 T CA 1.346 63.484 62.100 0.062 0.000 1.139 183 T CB -0.148 68.727 68.868 0.011 0.000 0.871 183 T HN 0.314 nan 8.240 nan 0.000 0.454 184 E N 1.047 121.269 120.200 0.037 0.000 2.051 184 E HA -0.045 4.304 4.350 -0.001 0.000 0.192 184 E C 2.349 179.070 176.600 0.202 0.000 0.991 184 E CA 1.523 57.903 56.400 -0.034 0.000 0.799 184 E CB -0.850 28.642 29.700 -0.346 0.000 0.748 184 E HN 0.447 nan 8.360 nan 0.000 0.449 185 G N -0.130 108.886 108.800 0.360 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 1.487 176.602 174.900 0.358 0.000 1.162 185 G CA 0.678 46.069 45.100 0.485 0.000 0.777 185 G HN 0.261 nan 8.290 nan 0.000 0.539 186 Q N -0.193 119.757 119.800 0.250 0.000 2.172 186 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 186 Q C 2.804 178.901 176.000 0.162 0.000 0.964 186 Q CA 1.409 57.322 55.803 0.182 0.000 0.855 186 Q CB -0.182 28.646 28.738 0.150 0.000 0.918 186 Q HN 0.415 nan 8.270 nan 0.000 0.444 187 T N 0.171 114.830 114.554 0.175 0.000 2.777 187 T HA -0.185 4.165 4.350 -0.001 0.000 0.266 187 T C 1.092 175.889 174.700 0.161 0.000 1.040 187 T CA 1.057 63.236 62.100 0.131 0.000 1.141 187 T CB -0.367 68.570 68.868 0.116 0.000 0.868 187 T HN 0.469 nan 8.240 nan 0.000 0.444 188 W N 1.595 122.982 121.300 0.145 0.000 2.355 188 W HA -0.040 4.619 4.660 -0.001 0.000 0.309 188 W C 1.800 178.434 176.519 0.192 0.000 1.206 188 W CA 0.910 58.416 57.345 0.268 0.000 1.284 188 W CB -0.437 29.255 29.460 0.386 0.000 1.145 188 W HN 0.137 nan 8.180 nan 0.000 0.502 189 L N 0.623 122.079 121.223 0.388 0.000 2.083 189 L HA -0.246 4.093 4.340 -0.001 0.000 0.209 189 L C 2.617 179.435 176.870 -0.087 0.000 1.083 189 L CA 1.826 56.724 54.840 0.097 0.000 0.752 189 L CB -0.902 41.148 42.059 -0.014 0.000 0.899 189 L HN -0.006 nan 8.230 nan 0.000 0.433 190 K N -0.028 120.334 120.400 -0.064 0.000 2.057 190 K HA -0.249 4.070 4.320 -0.001 0.000 0.206 190 K C 2.187 178.657 176.600 -0.217 0.000 1.050 190 K CA 1.505 57.729 56.287 -0.105 0.000 0.935 190 K CB -0.013 32.449 32.500 -0.063 0.000 0.715 190 K HN 0.260 nan 8.250 nan 0.000 0.439 191 Q N -0.697 118.897 119.800 -0.344 0.000 2.046 191 Q HA -0.147 4.193 4.340 -0.001 0.000 0.200 191 Q C 1.594 177.121 176.000 -0.789 0.000 0.975 191 Q CA 1.826 57.259 55.803 -0.617 0.000 0.836 191 Q CB 0.008 28.221 28.738 -0.874 0.000 0.896 191 Q HN 0.338 nan 8.270 nan 0.000 0.428 192 F N -1.488 118.111 119.950 -0.584 0.000 2.505 192 F HA 0.112 4.638 4.527 -0.001 0.000 0.289 192 F C 1.910 177.439 175.800 -0.451 0.000 1.101 192 F CA 0.133 57.743 58.000 -0.648 0.000 1.446 192 F CB 0.363 38.586 39.000 -1.295 0.000 1.123 192 F HN 0.083 nan 8.300 nan 0.000 0.564 193 M N -0.664 118.802 119.600 -0.222 0.000 2.337 193 M HA 0.174 4.653 4.480 -0.001 0.000 0.256 193 M C 0.282 176.568 176.300 -0.023 0.000 1.075 193 M CA 0.323 55.587 55.300 -0.061 0.000 1.024 193 M CB -0.728 31.866 32.600 -0.010 0.000 1.429 193 M HN 0.116 nan 8.290 nan 0.000 0.497 194 N N 1.794 120.447 118.700 -0.078 0.000 2.727 194 N HA -0.138 4.602 4.740 -0.001 0.000 0.249 194 N C -0.996 174.502 175.510 -0.020 0.000 1.048 194 N CA 0.717 53.735 53.050 -0.053 0.000 0.714 194 N CB -1.016 37.452 38.487 -0.032 0.000 0.959 194 N HN 0.332 nan 8.380 nan 0.000 0.544 195 V N -3.858 116.046 119.914 -0.017 0.000 2.971 195 V HA 0.866 4.986 4.120 -0.001 0.000 0.309 195 V C 0.030 176.116 176.094 -0.014 0.000 1.130 195 V CA -0.488 61.816 62.300 0.007 0.000 0.964 195 V CB 2.322 34.195 31.823 0.083 0.000 1.029 195 V HN 0.055 nan 8.190 nan 0.000 0.427 196 T N 4.082 118.617 114.554 -0.032 0.000 2.930 196 T HA 0.576 4.925 4.350 -0.001 0.000 0.313 196 T C -2.736 171.885 174.700 -0.132 0.000 1.019 196 T CA -0.779 61.282 62.100 -0.065 0.000 1.004 196 T CB 1.349 70.170 68.868 -0.079 0.000 0.987 196 T HN 0.766 nan 8.240 nan 0.000 0.456 197 P HA 0.174 nan 4.420 nan 0.000 0.266 197 P C 0.844 177.766 177.300 -0.630 0.000 1.195 197 P CA -0.181 62.803 63.100 -0.193 0.000 0.768 197 P CB 0.528 32.226 31.700 -0.002 0.000 0.838 198 T N -1.822 112.416 114.554 -0.526 0.000 3.040 198 T HA 0.535 4.885 4.350 -0.001 0.000 0.266 198 T C 0.352 174.874 174.700 -0.297 0.000 1.005 198 T CA -0.276 61.397 62.100 -0.712 0.000 0.906 198 T CB 0.120 68.777 68.868 -0.352 0.000 1.082 198 T HN 0.416 nan 8.240 nan 0.000 0.531 199 A N 0.889 123.687 122.820 -0.038 0.000 2.343 199 A HA 0.796 5.115 4.320 -0.001 0.000 0.316 199 A C -0.147 177.693 177.584 0.428 0.000 1.104 199 A CA -0.697 51.465 52.037 0.209 0.000 0.768 199 A CB 1.772 20.906 19.000 0.223 0.000 1.213 199 A HN 0.265 nan 8.150 nan 0.000 0.456 200 S N 2.230 118.174 115.700 0.407 0.000 2.509 200 S HA 0.657 5.126 4.470 -0.001 0.000 0.297 200 S C -1.088 173.695 174.600 0.305 0.000 1.118 200 S CA -0.431 57.952 58.200 0.304 0.000 1.074 200 S CB 0.720 63.931 63.200 0.018 0.000 1.038 200 S HN 0.798 nan 8.310 nan 0.000 0.498 201 W N 4.815 126.128 121.300 0.021 0.000 2.463 201 W HA 0.628 5.288 4.660 -0.001 0.000 0.316 201 W C -1.358 175.106 176.519 -0.091 0.000 1.004 201 W CA -0.852 56.457 57.345 -0.059 0.000 1.309 201 W CB 1.090 30.487 29.460 -0.106 0.000 1.288 201 W HN 0.782 nan 8.180 nan 0.000 0.423 202 A N 7.909 130.572 122.820 -0.262 0.000 2.978 202 A HA 0.258 4.578 4.320 -0.001 0.000 0.341 202 A C 0.466 177.801 177.584 -0.416 0.000 1.105 202 A CA -0.473 51.416 52.037 -0.247 0.000 0.819 202 A CB -0.448 18.527 19.000 -0.042 0.000 1.080 202 A HN 0.700 nan 8.150 nan 0.000 0.476 203 I N -2.287 117.837 120.570 -0.743 0.000 3.419 203 I HA 0.265 4.434 4.170 -0.001 0.000 0.286 203 I C 1.349 177.142 176.117 -0.539 0.000 1.268 203 I CA 1.285 62.105 61.300 -0.800 0.000 1.414 203 I CB 0.416 37.632 38.000 -1.307 0.000 1.074 203 I HN 0.342 nan 8.210 nan 0.000 0.457 204 A N 0.653 123.133 122.820 -0.567 0.000 2.138 204 A HA 0.470 4.789 4.320 -0.001 0.000 0.203 204 A C -1.890 175.275 177.584 -0.699 0.000 1.286 204 A CA -0.178 51.497 52.037 -0.604 0.000 0.929 204 A CB -0.890 17.584 19.000 -0.875 0.000 0.975 204 A HN 0.258 nan 8.150 nan 0.000 0.480 205 P HA 0.126 nan 4.420 nan 0.000 0.268 205 P C -0.777 176.086 177.300 -0.729 0.000 1.208 205 P CA 0.264 62.869 63.100 -0.826 0.000 0.777 205 P CB 0.059 31.430 31.700 -0.548 0.000 0.875 206 F N 1.822 121.534 119.950 -0.397 0.000 2.541 206 F HA 0.537 5.063 4.527 -0.001 0.000 0.351 206 F C 1.452 177.190 175.800 -0.104 0.000 1.209 206 F CA -0.578 57.154 58.000 -0.445 0.000 1.277 206 F CB -1.152 37.713 39.000 -0.224 0.000 1.632 206 F HN 0.521 nan 8.300 nan 0.000 0.619 207 G N 1.213 109.760 108.800 -0.421 0.000 2.662 207 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 207 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 207 G C -1.474 173.062 174.900 -0.607 0.000 1.271 207 G CA -1.162 43.781 45.100 -0.261 0.000 0.816 207 G HN 0.606 nan 8.290 nan 0.000 0.608 208 H N -0.559 118.210 119.070 -0.502 0.000 2.717 208 H HA 0.741 5.297 4.556 -0.001 0.000 0.366 208 H C -0.358 174.856 175.328 -0.190 0.000 1.132 208 H CA 0.032 55.976 56.048 -0.173 0.000 1.180 208 H CB 2.039 31.849 29.762 0.081 0.000 1.678 208 H HN 0.686 nan 8.280 nan 0.000 0.537 209 S N 2.372 118.212 115.700 0.234 0.000 2.501 209 S HA 0.263 4.732 4.470 -0.001 0.000 0.301 209 S C -1.793 172.840 174.600 0.055 0.000 1.096 209 S CA -1.796 56.553 58.200 0.248 0.000 1.063 209 S CB 1.318 64.708 63.200 0.317 0.000 1.042 209 S HN 0.442 nan 8.310 nan 0.000 0.494 210 P HA 0.018 nan 4.420 nan 0.000 0.234 210 P C 1.088 178.138 177.300 -0.417 0.000 1.167 210 P CA 0.727 63.450 63.100 -0.629 0.000 0.763 210 P CB -0.271 31.213 31.700 -0.361 0.000 0.835 211 T N -0.198 114.243 114.554 -0.189 0.000 2.833 211 T HA -0.101 4.248 4.350 -0.001 0.000 0.269 211 T C 1.825 176.477 174.700 -0.080 0.000 1.054 211 T CA 1.209 63.236 62.100 -0.121 0.000 1.135 211 T CB -0.395 68.438 68.868 -0.058 0.000 0.869 211 T HN -0.006 nan 8.240 nan 0.000 0.466 212 M N 0.979 120.494 119.600 -0.142 0.000 2.059 212 M HA -0.008 4.472 4.480 -0.001 0.000 0.259 212 M C -0.607 175.556 176.300 -0.228 0.000 1.072 212 M CA 1.300 56.512 55.300 -0.147 0.000 1.117 212 M CB -2.561 29.978 32.600 -0.101 0.000 1.320 212 M HN 0.129 nan 8.290 nan 0.000 0.408 213 P HA -0.201 nan 4.420 nan 0.000 0.218 213 P C 1.687 178.858 177.300 -0.214 0.000 1.148 213 P CA 1.446 64.349 63.100 -0.329 0.000 0.822 213 P CB -0.449 30.948 31.700 -0.505 0.000 0.784 214 Y N 1.027 121.137 120.300 -0.316 0.000 2.097 214 Y HA -0.207 4.343 4.550 -0.001 0.000 0.282 214 Y C 2.417 178.230 175.900 -0.144 0.000 1.152 214 Y CA 1.717 59.693 58.100 -0.207 0.000 1.136 214 Y CB -0.942 37.412 38.460 -0.176 0.000 0.975 214 Y HN -0.239 nan 8.280 nan 0.000 0.498 215 I N -0.382 120.212 120.570 0.039 0.000 2.252 215 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 215 I C 2.282 178.331 176.117 -0.114 0.000 1.102 215 I CA 1.163 62.454 61.300 -0.016 0.000 1.385 215 I CB -0.406 37.640 38.000 0.076 0.000 1.064 215 I HN 0.271 nan 8.210 nan 0.000 0.414 216 L N 0.075 121.178 121.223 -0.199 0.000 2.046 216 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 216 L C 2.693 179.543 176.870 -0.033 0.000 1.077 216 L CA 1.252 55.905 54.840 -0.312 0.000 0.747 216 L CB -0.731 40.957 42.059 -0.618 0.000 0.896 216 L HN 0.350 nan 8.230 nan 0.000 0.432 217 Q N 1.083 120.832 119.800 -0.085 0.000 2.226 217 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 217 Q C 1.666 177.626 176.000 -0.067 0.000 0.975 217 Q CA 1.508 57.280 55.803 -0.051 0.000 0.866 217 Q CB 0.120 28.796 28.738 -0.104 0.000 0.915 217 Q HN 0.465 nan 8.270 nan 0.000 0.440 218 K N -0.535 119.787 120.400 -0.129 0.000 2.458 218 K HA 0.118 4.438 4.320 -0.001 0.000 0.194 218 K C 0.644 177.209 176.600 -0.057 0.000 1.024 218 K CA 0.096 56.301 56.287 -0.136 0.000 1.108 218 K CB 0.551 32.902 32.500 -0.249 0.000 0.846 218 K HN -0.075 nan 8.250 nan 0.000 0.518 219 S N -0.301 115.420 115.700 0.034 0.000 2.754 219 S HA 0.203 4.673 4.470 -0.001 0.000 0.247 219 S C 0.750 175.454 174.600 0.173 0.000 1.031 219 S CA 0.099 58.367 58.200 0.113 0.000 1.014 219 S CB 1.334 64.640 63.200 0.178 0.000 0.918 219 S HN 0.514 nan 8.310 nan 0.000 0.519 220 G N 1.222 110.078 108.800 0.093 0.000 2.176 220 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.253 220 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.253 220 G C -0.027 174.851 174.900 -0.036 0.000 0.979 220 G CA -0.435 44.663 45.100 -0.004 0.000 0.641 220 G HN 0.433 nan 8.290 nan 0.000 0.530 221 F N 0.429 120.340 119.950 -0.065 0.000 2.450 221 F HA 0.567 5.093 4.527 -0.001 0.000 0.339 221 F C 1.618 177.361 175.800 -0.095 0.000 1.146 221 F CA 0.049 58.006 58.000 -0.072 0.000 1.267 221 F CB 0.920 39.881 39.000 -0.065 0.000 1.178 221 F HN -0.186 nan 8.300 nan 0.000 0.585 222 K N 0.896 121.319 120.400 0.037 0.000 2.435 222 K HA 0.242 4.561 4.320 -0.001 0.000 0.199 222 K C -0.552 175.992 176.600 -0.093 0.000 1.153 222 K CA 0.127 56.377 56.287 -0.062 0.000 0.974 222 K CB 0.258 32.677 32.500 -0.136 0.000 0.997 222 K HN 0.611 nan 8.250 nan 0.000 0.547 223 N N 0.353 118.979 118.700 -0.125 0.000 2.484 223 N HA 0.437 5.177 4.740 -0.001 0.000 0.269 223 N C -1.113 174.240 175.510 -0.262 0.000 1.237 223 N CA -0.624 52.189 53.050 -0.394 0.000 0.838 223 N CB 2.259 39.984 38.487 -1.271 0.000 1.593 223 N HN -0.097 nan 8.380 nan 0.000 0.485 224 M N -0.180 119.277 119.600 -0.238 0.000 2.569 224 M HA 0.635 5.114 4.480 -0.001 0.000 0.279 224 M C -2.041 174.310 176.300 0.084 0.000 1.253 224 M CA -0.965 54.318 55.300 -0.028 0.000 0.867 224 M CB 2.470 35.049 32.600 -0.034 0.000 1.727 224 M HN 0.497 nan 8.290 nan 0.000 0.467 225 L N 3.430 124.721 121.223 0.114 0.000 2.386 225 L HA 0.874 5.213 4.340 -0.001 0.000 0.271 225 L C -1.487 175.257 176.870 -0.209 0.000 0.993 225 L CA -0.759 54.107 54.840 0.043 0.000 0.819 225 L CB 2.035 44.164 42.059 0.117 0.000 1.294 225 L HN 0.944 nan 8.230 nan 0.000 0.414 226 I N 0.952 121.315 120.570 -0.345 0.000 2.934 226 I HA 0.611 4.780 4.170 -0.001 0.000 0.306 226 I C -0.689 175.134 176.117 -0.491 0.000 1.110 226 I CA -0.560 60.357 61.300 -0.638 0.000 1.019 226 I CB 2.253 39.586 38.000 -1.112 0.000 1.227 226 I HN 0.738 nan 8.210 nan 0.000 0.434 227 Q N 2.242 121.814 119.800 -0.379 0.000 2.563 227 Q HA 0.335 4.675 4.340 -0.001 0.000 0.236 227 Q C 0.080 175.982 176.000 -0.162 0.000 0.792 227 Q CA 0.429 56.091 55.803 -0.234 0.000 0.960 227 Q CB 0.623 29.222 28.738 -0.231 0.000 1.304 227 Q HN 0.661 nan 8.270 nan 0.000 0.566 228 R N 2.074 122.504 120.500 -0.118 0.000 2.891 228 R HA 0.319 4.659 4.340 -0.001 0.000 0.248 228 R C -0.680 175.352 176.300 -0.446 0.000 1.439 228 R CA 0.536 56.302 56.100 -0.557 0.000 1.288 228 R CB 0.196 29.821 30.300 -1.126 0.000 1.212 228 R HN 0.387 nan 8.270 nan 0.000 0.605 229 T N -2.643 111.881 114.554 -0.051 0.000 2.924 229 T HA 0.143 4.492 4.350 -0.001 0.000 0.291 229 T C 0.030 174.981 174.700 0.418 0.000 1.045 229 T CA -0.882 61.317 62.100 0.164 0.000 1.015 229 T CB 1.794 70.609 68.868 -0.087 0.000 1.103 229 T HN 0.399 nan 8.240 nan 0.000 0.496 230 H N 1.825 121.107 119.070 0.353 0.000 3.064 230 H HA -0.039 4.517 4.556 -0.001 0.000 0.329 230 H C 1.041 176.431 175.328 0.104 0.000 1.020 230 H CA 0.483 56.646 56.048 0.191 0.000 1.402 230 H CB 0.345 30.243 29.762 0.227 0.000 1.379 230 H HN 0.926 nan 8.280 nan 0.000 0.594 231 Y N 2.283 122.694 120.300 0.185 0.000 2.256 231 Y HA -0.160 4.389 4.550 -0.001 0.000 0.288 231 Y C 2.176 178.247 175.900 0.286 0.000 1.155 231 Y CA 0.942 59.178 58.100 0.226 0.000 1.203 231 Y CB -0.595 37.936 38.460 0.119 0.000 0.980 231 Y HN 0.289 nan 8.280 nan 0.000 0.530 232 S N 0.310 116.039 115.700 0.049 0.000 2.406 232 S HA -0.108 4.362 4.470 -0.001 0.000 0.228 232 S C 2.076 176.590 174.600 -0.143 0.000 1.020 232 S CA 1.115 59.235 58.200 -0.134 0.000 0.965 232 S CB -0.516 62.379 63.200 -0.508 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 2.018 121.909 119.914 -0.038 0.000 2.307 233 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 233 V C 2.235 178.366 176.094 0.060 0.000 1.045 233 V CA 1.595 63.907 62.300 0.020 0.000 1.024 233 V CB -0.530 31.409 31.823 0.193 0.000 0.651 233 V HN 0.407 nan 8.190 nan 0.000 0.449 234 K N 0.157 120.635 120.400 0.130 0.000 2.044 234 K HA -0.269 4.051 4.320 -0.001 0.000 0.210 234 K C 2.276 179.008 176.600 0.220 0.000 1.049 234 K CA 1.954 58.337 56.287 0.159 0.000 0.927 234 K CB -0.259 32.392 32.500 0.251 0.000 0.713 234 K HN 0.361 nan 8.250 nan 0.000 0.443 235 K N 1.159 121.688 120.400 0.214 0.000 2.026 235 K HA -0.237 4.082 4.320 -0.001 0.000 0.208 235 K C 2.157 178.847 176.600 0.150 0.000 1.048 235 K CA 1.795 58.214 56.287 0.220 0.000 0.929 235 K CB 0.026 32.583 32.500 0.095 0.000 0.713 235 K HN -0.004 nan 8.250 nan 0.000 0.439 236 E N 0.800 121.010 120.200 0.016 0.000 2.051 236 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 236 E C 1.942 178.533 176.600 -0.016 0.000 0.991 236 E CA 1.396 57.764 56.400 -0.053 0.000 0.799 236 E CB -0.154 29.467 29.700 -0.132 0.000 0.748 236 E HN 0.344 nan 8.360 nan 0.000 0.449 237 L N -0.197 121.028 121.223 0.005 0.000 2.093 237 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 237 L C 2.524 179.413 176.870 0.033 0.000 1.085 237 L CA 0.892 55.730 54.840 -0.003 0.000 0.755 237 L CB -0.584 41.460 42.059 -0.026 0.000 0.904 237 L HN 0.217 nan 8.230 nan 0.000 0.435 238 A N -0.236 122.654 122.820 0.117 0.000 1.902 238 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 238 A C 2.216 179.984 177.584 0.307 0.000 1.181 238 A CA 1.535 53.699 52.037 0.212 0.000 0.623 238 A CB -0.474 18.801 19.000 0.458 0.000 0.818 238 A HN 0.462 nan 8.150 nan 0.000 0.443 239 Q N -1.039 118.890 119.800 0.214 0.000 2.226 239 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 239 Q C 1.331 177.318 176.000 -0.022 0.000 0.975 239 Q CA 1.239 57.013 55.803 -0.049 0.000 0.866 239 Q CB -0.014 28.556 28.738 -0.280 0.000 0.915 239 Q HN 0.605 nan 8.270 nan 0.000 0.440 240 Q N -0.255 119.546 119.800 0.002 0.000 2.247 240 Q HA 0.143 4.483 4.340 -0.001 0.000 0.204 240 Q C -0.435 175.581 176.000 0.027 0.000 0.872 240 Q CA -0.036 55.765 55.803 -0.002 0.000 0.951 240 Q CB 0.724 29.450 28.738 -0.020 0.000 1.099 240 Q HN 0.275 nan 8.270 nan 0.000 0.501 241 R N 0.832 121.354 120.500 0.037 0.000 3.333 241 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 241 R C -0.108 176.226 176.300 0.057 0.000 1.010 241 R CA 0.470 56.585 56.100 0.025 0.000 0.680 241 R CB -1.902 28.438 30.300 0.066 0.000 1.102 241 R HN 0.385 nan 8.270 nan 0.000 0.440 242 Q N 0.041 119.863 119.800 0.036 0.000 2.165 242 Q HA 0.198 4.537 4.340 -0.001 0.000 0.245 242 Q C 1.230 177.310 176.000 0.134 0.000 0.841 242 Q CA -0.231 55.627 55.803 0.092 0.000 1.078 242 Q CB 0.550 29.307 28.738 0.031 0.000 1.169 242 Q HN 0.440 nan 8.270 nan 0.000 0.475 243 L N 0.088 121.324 121.223 0.021 0.000 2.395 243 L HA 0.041 4.381 4.340 -0.001 0.000 0.218 243 L C 0.329 177.183 176.870 -0.027 0.000 1.130 243 L CA 0.951 55.773 54.840 -0.029 0.000 0.826 243 L CB 0.305 42.161 42.059 -0.338 0.000 0.941 243 L HN 0.180 nan 8.230 nan 0.000 0.451 244 E N 0.192 120.418 120.200 0.043 0.000 2.158 244 E HA 0.519 4.868 4.350 -0.001 0.000 0.271 244 E C -1.223 175.286 176.600 -0.151 0.000 0.911 244 E CA -0.536 55.692 56.400 -0.286 0.000 0.767 244 E CB 1.519 31.170 29.700 -0.081 0.000 1.120 244 E HN 0.002 nan 8.360 nan 0.000 0.405 245 F N -0.267 119.424 119.950 -0.433 0.000 2.668 245 F HA 0.459 4.985 4.527 -0.001 0.000 0.309 245 F C -1.546 174.145 175.800 -0.181 0.000 1.117 245 F CA -1.387 56.508 58.000 -0.175 0.000 0.951 245 F CB 0.746 39.676 39.000 -0.116 0.000 1.323 245 F HN 0.159 nan 8.300 nan 0.000 0.451 246 L N 2.708 124.090 121.223 0.265 0.000 2.268 246 L HA 0.167 4.507 4.340 -0.001 0.000 0.289 246 L C -1.050 176.050 176.870 0.384 0.000 1.064 246 L CA -0.198 54.796 54.840 0.256 0.000 0.824 246 L CB 0.446 42.655 42.059 0.250 0.000 1.202 246 L HN 0.586 nan 8.230 nan 0.000 0.433 247 W N 6.840 128.247 121.300 0.179 0.000 2.387 247 W HA 0.334 4.994 4.660 -0.001 0.000 0.310 247 W C 0.234 176.778 176.519 0.042 0.000 1.181 247 W CA -1.275 56.192 57.345 0.204 0.000 1.333 247 W CB 0.477 30.099 29.460 0.269 0.000 1.286 247 W HN 0.514 nan 8.180 nan 0.000 0.455 248 R N 3.758 124.433 120.500 0.290 0.000 2.758 248 R HA 0.533 4.872 4.340 -0.001 0.000 0.265 248 R C -0.096 176.112 176.300 -0.154 0.000 1.016 248 R CA -0.880 55.217 56.100 -0.004 0.000 1.040 248 R CB 1.093 31.376 30.300 -0.029 0.000 1.152 248 R HN 0.237 nan 8.270 nan 0.000 0.503 249 Q N 1.435 120.987 119.800 -0.413 0.000 2.421 249 Q HA 0.055 4.394 4.340 -0.001 0.000 0.255 249 Q C 1.469 177.076 176.000 -0.655 0.000 1.013 249 Q CA 0.110 55.467 55.803 -0.744 0.000 0.895 249 Q CB 0.798 28.628 28.738 -1.512 0.000 1.271 249 Q HN 0.846 nan 8.270 nan 0.000 0.460 250 I N -2.025 118.272 120.570 -0.455 0.000 2.567 250 I HA -0.164 4.005 4.170 -0.001 0.000 0.257 250 I C 1.340 177.412 176.117 -0.075 0.000 1.184 250 I CA 1.337 62.538 61.300 -0.165 0.000 1.451 250 I CB -0.371 37.627 38.000 -0.003 0.000 1.089 250 I HN 0.681 nan 8.210 nan 0.000 0.441 251 W N 1.331 122.691 121.300 0.100 0.000 3.211 251 W HA 0.350 5.010 4.660 -0.001 0.000 0.292 251 W C 0.307 176.905 176.519 0.131 0.000 1.268 251 W CA -0.563 56.903 57.345 0.201 0.000 1.702 251 W CB -0.679 28.990 29.460 0.348 0.000 1.092 251 W HN -0.066 nan 8.180 nan 0.000 0.643 252 D N 1.879 122.038 120.400 -0.403 0.000 2.374 252 D HA -0.029 4.610 4.640 -0.001 0.000 0.240 252 D C 1.026 177.301 176.300 -0.042 0.000 1.229 252 D CA 0.287 54.165 54.000 -0.203 0.000 0.895 252 D CB 0.150 40.732 40.800 -0.364 0.000 1.046 252 D HN 0.040 nan 8.370 nan 0.000 0.498 253 N N 3.431 122.168 118.700 0.060 0.000 2.300 253 N HA -0.103 4.636 4.740 -0.001 0.000 0.179 253 N C 1.313 176.843 175.510 0.032 0.000 1.016 253 N CA 0.567 53.646 53.050 0.047 0.000 0.876 253 N CB 0.265 38.800 38.487 0.080 0.000 0.979 253 N HN 0.410 nan 8.380 nan 0.000 0.432 254 K N -0.383 120.041 120.400 0.039 0.000 2.137 254 K HA -0.005 4.314 4.320 -0.001 0.000 0.202 254 K C 0.765 177.378 176.600 0.021 0.000 1.052 254 K CA 1.141 57.448 56.287 0.033 0.000 0.961 254 K CB 0.125 32.648 32.500 0.040 0.000 0.741 254 K HN 0.214 nan 8.250 nan 0.000 0.452 255 G N 0.910 109.714 108.800 0.007 0.000 2.148 255 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.203 255 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.203 255 G C 0.116 175.016 174.900 -0.000 0.000 0.993 255 G CA 0.326 45.426 45.100 0.001 0.000 0.661 255 G HN 0.362 nan 8.290 nan 0.000 0.518 256 D N 0.688 121.088 120.400 0.000 0.000 2.310 256 D HA -0.041 4.598 4.640 -0.001 0.000 0.212 256 D C 2.563 178.846 176.300 -0.028 0.000 0.965 256 D CA 1.720 55.718 54.000 -0.005 0.000 0.879 256 D CB -0.193 40.611 40.800 0.007 0.000 0.921 256 D HN 0.674 nan 8.370 nan 0.000 0.510 257 T N -1.917 112.608 114.554 -0.048 0.000 3.113 257 T HA 0.269 4.618 4.350 -0.001 0.000 0.256 257 T C 1.018 175.672 174.700 -0.076 0.000 1.131 257 T CA -0.023 62.025 62.100 -0.086 0.000 1.074 257 T CB 0.006 68.800 68.868 -0.123 0.000 0.944 257 T HN 0.066 nan 8.240 nan 0.000 0.516 258 A N 1.432 124.235 122.820 -0.029 0.000 2.540 258 A HA 0.533 4.853 4.320 -0.001 0.000 0.239 258 A C -0.257 177.345 177.584 0.031 0.000 1.061 258 A CA -0.297 51.756 52.037 0.026 0.000 0.758 258 A CB -0.175 18.867 19.000 0.069 0.000 0.991 258 A HN 0.549 nan 8.150 nan 0.000 0.502 259 L N 2.853 124.114 121.223 0.064 0.000 2.409 259 L HA 0.567 4.906 4.340 -0.001 0.000 0.272 259 L C -0.635 176.295 176.870 0.100 0.000 0.980 259 L CA -0.572 54.303 54.840 0.058 0.000 0.826 259 L CB 1.458 43.514 42.059 -0.005 0.000 1.268 259 L HN 0.656 nan 8.230 nan 0.000 0.407 260 F N 3.828 123.741 119.950 -0.062 0.000 2.578 260 F HA 0.384 4.910 4.527 -0.001 0.000 0.381 260 F C 0.026 175.708 175.800 -0.196 0.000 1.069 260 F CA 0.717 58.647 58.000 -0.117 0.000 1.231 260 F CB 0.422 39.371 39.000 -0.085 0.000 1.086 260 F HN 0.551 nan 8.300 nan 0.000 0.564 261 T N 5.454 119.445 114.554 -0.938 0.000 2.848 261 T HA 0.197 4.547 4.350 -0.001 0.000 0.285 261 T C -1.555 172.510 174.700 -1.058 0.000 0.995 261 T CA -0.470 61.143 62.100 -0.812 0.000 0.970 261 T CB 0.864 69.257 68.868 -0.791 0.000 0.976 261 T HN 0.610 nan 8.240 nan 0.000 0.441 262 H N 2.935 121.690 119.070 -0.526 0.000 2.541 262 H HA 0.617 5.173 4.556 -0.001 0.000 0.316 262 H C -0.369 174.771 175.328 -0.313 0.000 1.043 262 H CA -0.754 55.107 56.048 -0.313 0.000 1.232 262 H CB 0.722 30.522 29.762 0.065 0.000 1.406 262 H HN 0.481 nan 8.280 nan 0.000 0.469 263 M N 6.678 125.972 119.600 -0.509 0.000 2.157 263 M HA 0.294 4.774 4.480 -0.001 0.000 0.354 263 M C -0.949 175.134 176.300 -0.361 0.000 1.170 263 M CA -0.618 54.454 55.300 -0.379 0.000 1.060 263 M CB 0.695 33.116 32.600 -0.298 0.000 1.615 263 M HN 0.700 nan 8.290 nan 0.000 0.460 264 M N 7.012 126.487 119.600 -0.207 0.000 2.243 264 M HA 0.197 4.676 4.480 -0.001 0.000 0.341 264 M C -1.599 174.574 176.300 -0.212 0.000 1.130 264 M CA -1.245 53.973 55.300 -0.137 0.000 1.162 264 M CB 0.375 32.908 32.600 -0.111 0.000 1.497 264 M HN 0.464 nan 8.290 nan 0.000 0.456 265 P HA 0.118 nan 4.420 nan 0.000 0.245 265 P C -0.413 176.675 177.300 -0.353 0.000 1.199 265 P CA 0.915 63.698 63.100 -0.529 0.000 0.807 265 P CB 0.281 31.337 31.700 -1.073 0.000 1.002 266 F N -2.410 117.541 119.950 0.002 0.000 2.611 266 F HA 0.313 4.839 4.527 -0.001 0.000 0.374 266 F C 2.097 177.986 175.800 0.149 0.000 1.110 266 F CA -1.284 56.751 58.000 0.058 0.000 1.090 266 F CB 0.244 39.208 39.000 -0.059 0.000 1.388 266 F HN -0.308 nan 8.300 nan 0.000 0.501 267 Y N 0.396 120.849 120.300 0.255 0.000 2.352 267 Y HA 0.042 4.591 4.550 -0.001 0.000 0.292 267 Y C 0.831 176.667 175.900 -0.107 0.000 1.136 267 Y CA 1.171 59.290 58.100 0.030 0.000 1.227 267 Y CB 0.049 38.443 38.460 -0.110 0.000 0.991 267 Y HN 0.339 nan 8.280 nan 0.000 0.545 268 S N -1.684 113.893 115.700 -0.204 0.000 2.618 268 S HA 0.253 4.722 4.470 -0.001 0.000 0.277 268 S C -0.359 174.196 174.600 -0.075 0.000 1.138 268 S CA -0.404 57.583 58.200 -0.355 0.000 0.844 268 S CB 0.381 63.332 63.200 -0.415 0.000 1.127 268 S HN 0.301 nan 8.310 nan 0.000 0.474 269 Y N 0.873 121.137 120.300 -0.061 0.000 2.466 269 Y HA 0.316 4.865 4.550 -0.001 0.000 0.272 269 Y C 0.403 176.389 175.900 0.143 0.000 1.169 269 Y CA -0.599 57.496 58.100 -0.008 0.000 1.285 269 Y CB -0.982 37.384 38.460 -0.157 0.000 1.078 269 Y HN 0.545 nan 8.280 nan 0.000 0.523 270 D N 0.605 121.063 120.400 0.096 0.000 2.371 270 D HA -0.013 4.627 4.640 -0.001 0.000 0.242 270 D C 1.242 177.682 176.300 0.232 0.000 1.218 270 D CA -0.428 53.688 54.000 0.193 0.000 0.945 270 D CB 0.843 41.715 40.800 0.120 0.000 1.137 270 D HN 0.249 nan 8.370 nan 0.000 0.464 271 I N -0.112 120.567 120.570 0.182 0.000 2.208 271 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 271 I C -0.732 175.430 176.117 0.075 0.000 1.097 271 I CA 0.971 62.361 61.300 0.151 0.000 1.363 271 I CB -1.222 36.852 38.000 0.124 0.000 1.051 271 I HN 0.364 nan 8.210 nan 0.000 0.413 272 P HA -0.161 nan 4.420 nan 0.000 0.221 272 P C 0.568 177.564 177.300 -0.507 0.000 1.145 272 P CA 1.645 64.579 63.100 -0.276 0.000 0.795 272 P CB -0.122 31.426 31.700 -0.254 0.000 0.775 273 H N -3.099 115.977 119.070 0.009 0.000 2.512 273 H HA 0.220 4.775 4.556 -0.001 0.000 0.276 273 H C 0.917 176.344 175.328 0.166 0.000 1.126 273 H CA 0.529 56.590 56.048 0.020 0.000 1.060 273 H CB -0.173 29.671 29.762 0.136 0.000 1.646 273 H HN 0.097 nan 8.280 nan 0.000 0.571 274 T N -4.102 110.576 114.554 0.206 0.000 2.975 274 T HA -0.022 4.327 4.350 -0.001 0.000 0.261 274 T C 1.815 176.642 174.700 0.212 0.000 0.984 274 T CA 0.373 62.621 62.100 0.247 0.000 0.911 274 T CB -0.653 68.352 68.868 0.228 0.000 1.127 274 T HN 0.506 nan 8.240 nan 0.000 0.514 275 c N 1.530 120.223 118.600 0.154 0.000 2.533 275 c HA 0.708 5.278 4.570 -0.001 0.000 0.272 275 c C 1.333 175.541 174.090 0.197 0.000 1.371 275 c CA 0.430 56.887 56.329 0.215 0.000 1.758 275 c CB -1.116 41.484 42.510 0.150 0.000 1.972 275 c HN 0.878 nan 8.230 nan 0.000 0.522 276 G N -0.316 108.511 108.800 0.045 0.000 2.315 276 G HA2 0.372 4.331 3.960 -0.001 0.000 0.294 276 G HA3 0.372 4.331 3.960 -0.001 0.000 0.294 276 G C -2.731 171.747 174.900 -0.703 0.000 1.300 276 G CA 0.232 45.285 45.100 -0.078 0.000 0.843 276 G HN -0.102 nan 8.290 nan 0.000 0.527 277 P HA 0.102 nan 4.420 nan 0.000 0.229 277 P C -0.132 176.757 177.300 -0.684 0.000 1.160 277 P CA 1.014 63.425 63.100 -1.148 0.000 0.777 277 P CB 0.389 31.754 31.700 -0.559 0.000 0.814 278 D N 0.893 120.999 120.400 -0.490 0.000 2.454 278 D HA 0.146 4.785 4.640 -0.001 0.000 0.225 278 D C -1.529 174.431 176.300 -0.567 0.000 1.081 278 D CA -2.574 51.181 54.000 -0.409 0.000 0.864 278 D CB 1.368 42.010 40.800 -0.263 0.000 1.040 278 D HN -0.004 nan 8.370 nan 0.000 0.517 279 P HA -0.123 nan 4.420 nan 0.000 0.223 279 P C 1.231 177.709 177.300 -1.371 0.000 1.151 279 P CA 0.610 62.966 63.100 -1.241 0.000 0.787 279 P CB 0.528 31.211 31.700 -1.696 0.000 0.788 280 K N 0.321 120.047 120.400 -1.123 0.000 2.147 280 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 280 K C 1.787 178.197 176.600 -0.317 0.000 1.049 280 K CA 1.106 57.035 56.287 -0.596 0.000 0.936 280 K CB -0.231 32.106 32.500 -0.272 0.000 0.722 280 K HN -0.071 nan 8.250 nan 0.000 0.446 281 V N 0.371 120.107 119.914 -0.297 0.000 2.302 281 V HA -0.242 3.878 4.120 -0.001 0.000 0.243 281 V C 2.414 178.475 176.094 -0.055 0.000 1.036 281 V CA 1.422 63.642 62.300 -0.133 0.000 1.020 281 V CB -0.361 31.402 31.823 -0.101 0.000 0.657 281 V HN 0.474 nan 8.190 nan 0.000 0.453 282 c N -0.660 117.837 118.600 -0.172 0.000 2.411 282 c HA -0.210 4.360 4.570 -0.001 0.000 0.279 282 c C 2.996 177.053 174.090 -0.055 0.000 1.288 282 c CA 0.847 57.134 56.329 -0.071 0.000 1.764 282 c CB -1.500 40.889 42.510 -0.202 0.000 1.974 282 c HN 0.765 nan 8.230 nan 0.000 0.498 283 c N 0.814 119.296 118.600 -0.196 0.000 2.410 283 c HA -0.148 4.422 4.570 -0.001 0.000 0.281 283 c C 2.611 176.594 174.090 -0.179 0.000 1.318 283 c CA 1.231 57.495 56.329 -0.108 0.000 1.776 283 c CB -1.464 41.062 42.510 0.026 0.000 1.942 283 c HN 0.641 nan 8.230 nan 0.000 0.508 284 Q N -1.361 118.277 119.800 -0.271 0.000 2.488 284 Q HA -0.022 4.317 4.340 -0.001 0.000 0.211 284 Q C 0.619 175.960 176.000 -1.098 0.000 0.967 284 Q CA 0.994 56.448 55.803 -0.581 0.000 0.926 284 Q CB -0.023 28.351 28.738 -0.608 0.000 0.992 284 Q HN 0.744 nan 8.270 nan 0.000 0.506 285 F N -0.342 119.307 119.950 -0.501 0.000 2.698 285 F HA 0.176 4.702 4.527 -0.001 0.000 0.304 285 F C 0.165 175.691 175.800 -0.456 0.000 1.108 285 F CA -0.622 56.977 58.000 -0.668 0.000 1.263 285 F CB 0.798 39.651 39.000 -0.244 0.000 1.013 285 F HN -0.149 nan 8.300 nan 0.000 0.532 286 D N 0.088 120.279 120.400 -0.349 0.000 2.467 286 D HA 0.152 4.791 4.640 -0.001 0.000 0.220 286 D C 0.446 176.583 176.300 -0.272 0.000 1.103 286 D CA -0.352 53.556 54.000 -0.154 0.000 0.886 286 D CB 0.153 40.915 40.800 -0.063 0.000 1.025 286 D HN 0.100 nan 8.370 nan 0.000 0.514 287 F N 1.774 121.735 119.950 0.018 0.000 2.802 287 F HA 0.107 4.634 4.527 -0.001 0.000 0.300 287 F C 2.326 178.081 175.800 -0.075 0.000 1.168 287 F CA 0.225 58.211 58.000 -0.023 0.000 1.433 287 F CB 0.139 39.149 39.000 0.016 0.000 1.115 287 F HN 0.253 nan 8.300 nan 0.000 0.582 288 K N 0.709 121.056 120.400 -0.088 0.000 2.486 288 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 288 K C 1.119 177.692 176.600 -0.044 0.000 1.033 288 K CA 0.329 56.436 56.287 -0.300 0.000 1.004 288 K CB 0.121 32.301 32.500 -0.533 0.000 0.798 288 K HN 0.207 nan 8.250 nan 0.000 0.495 289 R N -0.041 120.454 120.500 -0.009 0.000 2.586 289 R HA 0.205 4.545 4.340 -0.001 0.000 0.306 289 R C 0.989 177.314 176.300 0.043 0.000 1.079 289 R CA -0.178 55.935 56.100 0.020 0.000 1.083 289 R CB 0.257 30.546 30.300 -0.017 0.000 1.306 289 R HN 0.181 nan 8.270 nan 0.000 0.567 290 M N -1.144 118.516 119.600 0.100 0.000 2.541 290 M HA 0.151 4.630 4.480 -0.001 0.000 0.252 290 M C 1.209 177.550 176.300 0.067 0.000 1.125 290 M CA 0.982 56.328 55.300 0.076 0.000 1.091 290 M CB 0.812 33.471 32.600 0.099 0.000 1.420 290 M HN 0.495 nan 8.290 nan 0.000 0.486 291 G N -0.241 108.616 108.800 0.095 0.000 3.465 291 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.196 291 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.196 291 G C 0.992 175.907 174.900 0.024 0.000 1.170 291 G CA 0.231 45.360 45.100 0.049 0.000 0.887 291 G HN 0.394 nan 8.290 nan 0.000 0.444 292 S N 0.311 115.992 115.700 -0.032 0.000 2.474 292 S HA 0.186 4.655 4.470 -0.001 0.000 0.235 292 S C 1.735 176.160 174.600 -0.292 0.000 0.997 292 S CA 1.482 59.566 58.200 -0.195 0.000 0.949 292 S CB -0.446 62.562 63.200 -0.319 0.000 0.766 292 S HN 0.362 nan 8.310 nan 0.000 0.517 293 F N 1.809 121.755 119.950 -0.007 0.000 2.765 293 F HA 0.419 4.946 4.527 -0.001 0.000 0.302 293 F C 1.877 177.672 175.800 -0.008 0.000 1.111 293 F CA 0.034 58.028 58.000 -0.010 0.000 1.359 293 F CB -0.111 38.880 39.000 -0.016 0.000 1.097 293 F HN 0.363 nan 8.300 nan 0.000 0.577 294 G N 1.234 110.107 108.800 0.122 0.000 2.160 294 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.251 294 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.251 294 G C -0.088 174.860 174.900 0.079 0.000 1.008 294 G CA 0.028 45.173 45.100 0.075 0.000 0.724 294 G HN 0.305 nan 8.290 nan 0.000 0.514 295 L N 0.190 121.474 121.223 0.101 0.000 2.333 295 L HA 0.852 5.191 4.340 -0.001 0.000 0.269 295 L C 0.584 177.483 176.870 0.048 0.000 1.010 295 L CA -0.390 54.489 54.840 0.066 0.000 0.818 295 L CB 2.243 44.337 42.059 0.059 0.000 1.306 295 L HN 0.421 nan 8.230 nan 0.000 0.430 296 S N -0.702 115.014 115.700 0.026 0.000 2.720 296 S HA 0.542 5.011 4.470 -0.001 0.000 0.287 296 S C -1.143 173.465 174.600 0.014 0.000 1.168 296 S CA -0.794 57.413 58.200 0.013 0.000 0.832 296 S CB 1.687 64.885 63.200 -0.004 0.000 1.166 296 S HN 0.532 nan 8.310 nan 0.000 0.493 297 c N 2.591 121.204 118.600 0.021 0.000 2.255 297 c HA 0.522 5.092 4.570 -0.001 0.000 0.326 297 c C -1.234 172.835 174.090 -0.036 0.000 1.258 297 c CA -1.033 55.344 56.329 0.080 0.000 1.676 297 c CB 0.602 43.201 42.510 0.149 0.000 2.314 297 c HN 0.768 nan 8.230 nan 0.000 0.509 298 P HA -0.122 nan 4.420 nan 0.000 0.218 298 P C 1.133 178.108 177.300 -0.542 0.000 1.146 298 P CA 1.464 64.217 63.100 -0.579 0.000 0.813 298 P CB 0.060 31.080 31.700 -1.133 0.000 0.778 299 W N -0.795 120.480 121.300 -0.041 0.000 3.256 299 W HA 0.205 4.864 4.660 -0.001 0.000 0.269 299 W C 0.550 177.040 176.519 -0.048 0.000 1.310 299 W CA 0.149 57.465 57.345 -0.047 0.000 1.673 299 W CB -0.481 28.942 29.460 -0.062 0.000 1.115 299 W HN 0.088 nan 8.180 nan 0.000 0.686 300 K N -0.969 119.484 120.400 0.089 0.000 3.446 300 K HA -0.181 4.138 4.320 -0.001 0.000 0.312 300 K C -0.381 176.241 176.600 0.036 0.000 1.329 300 K CA 0.550 56.857 56.287 0.033 0.000 0.935 300 K CB -1.964 30.543 32.500 0.010 0.000 1.281 300 K HN -0.111 nan 8.250 nan 0.000 0.457 301 V N 1.703 121.651 119.914 0.057 0.000 2.350 301 V HA 0.320 4.439 4.120 -0.001 0.000 0.285 301 V C -1.788 174.291 176.094 -0.025 0.000 1.014 301 V CA -1.583 60.720 62.300 0.005 0.000 0.831 301 V CB 1.229 33.046 31.823 -0.009 0.000 1.000 301 V HN -0.036 nan 8.190 nan 0.000 0.433 302 P HA 0.403 nan 4.420 nan 0.000 0.276 302 P C -2.831 174.380 177.300 -0.149 0.000 1.252 302 P CA -2.064 60.994 63.100 -0.070 0.000 0.802 302 P CB 0.325 31.999 31.700 -0.044 0.000 1.035 303 P HA 0.266 nan 4.420 nan 0.000 0.272 303 P C -0.358 176.847 177.300 -0.158 0.000 1.223 303 P CA 0.138 63.039 63.100 -0.332 0.000 0.784 303 P CB 0.547 31.985 31.700 -0.437 0.000 0.923 304 R N 0.277 120.695 120.500 -0.136 0.000 2.686 304 R HA 0.427 4.766 4.340 -0.001 0.000 0.286 304 R C -0.287 176.072 176.300 0.098 0.000 0.969 304 R CA -0.667 55.421 56.100 -0.021 0.000 0.898 304 R CB 1.219 31.483 30.300 -0.060 0.000 1.183 304 R HN 0.339 nan 8.270 nan 0.000 0.456 305 T N 3.889 118.494 114.554 0.086 0.000 2.905 305 T HA 0.025 4.374 4.350 -0.001 0.000 0.299 305 T C 0.708 175.404 174.700 -0.006 0.000 1.024 305 T CA 0.148 62.275 62.100 0.045 0.000 1.151 305 T CB 0.112 68.986 68.868 0.010 0.000 0.987 305 T HN 0.187 nan 8.240 nan 0.000 0.535 306 I N 4.114 124.639 120.570 -0.076 0.000 2.556 306 I HA 0.213 4.382 4.170 -0.001 0.000 0.284 306 I C 1.022 177.096 176.117 -0.073 0.000 1.114 306 I CA 0.118 61.369 61.300 -0.080 0.000 1.418 306 I CB 0.042 37.957 38.000 -0.142 0.000 1.394 306 I HN 0.764 nan 8.210 nan 0.000 0.552 307 S N 3.978 119.645 115.700 -0.055 0.000 2.704 307 S HA 0.448 4.917 4.470 -0.001 0.000 0.296 307 S C 0.403 174.975 174.600 -0.047 0.000 1.138 307 S CA -0.751 57.423 58.200 -0.043 0.000 0.875 307 S CB 2.143 65.324 63.200 -0.031 0.000 1.151 307 S HN 0.499 nan 8.310 nan 0.000 0.500 308 D N 0.644 121.025 120.400 -0.031 0.000 2.218 308 D HA -0.052 4.588 4.640 -0.001 0.000 0.204 308 D C 1.564 177.842 176.300 -0.037 0.000 0.976 308 D CA 1.438 55.422 54.000 -0.027 0.000 0.853 308 D CB -0.202 40.595 40.800 -0.004 0.000 0.939 308 D HN 0.546 nan 8.370 nan 0.000 0.481 309 Q N 0.019 119.800 119.800 -0.031 0.000 2.331 309 Q HA -0.009 4.330 4.340 -0.001 0.000 0.203 309 Q C 1.281 177.258 176.000 -0.038 0.000 0.944 309 Q CA 0.748 56.534 55.803 -0.028 0.000 0.892 309 Q CB -0.011 28.715 28.738 -0.019 0.000 0.983 309 Q HN 0.352 nan 8.270 nan 0.000 0.482 310 N N -1.608 117.062 118.700 -0.050 0.000 2.197 310 N HA -0.018 4.721 4.740 -0.001 0.000 0.201 310 N C 1.116 176.578 175.510 -0.079 0.000 1.148 310 N CA 0.147 53.166 53.050 -0.051 0.000 0.883 310 N CB -0.249 38.215 38.487 -0.039 0.000 1.012 310 N HN 0.051 nan 8.380 nan 0.000 0.507 311 V N 0.444 120.277 119.914 -0.135 0.000 2.490 311 V HA -0.064 4.056 4.120 -0.001 0.000 0.250 311 V C 2.221 178.110 176.094 -0.341 0.000 1.061 311 V CA 1.986 64.153 62.300 -0.222 0.000 1.064 311 V CB -0.852 30.814 31.823 -0.261 0.000 0.670 311 V HN 0.443 nan 8.190 nan 0.000 0.461 312 A N -0.152 122.464 122.820 -0.341 0.000 1.873 312 A HA -0.015 4.304 4.320 -0.001 0.000 0.215 312 A C 2.431 180.049 177.584 0.058 0.000 1.186 312 A CA 2.046 53.996 52.037 -0.145 0.000 0.616 312 A CB -1.026 17.977 19.000 0.006 0.000 0.823 312 A HN 0.782 nan 8.150 nan 0.000 0.442 313 A N -0.476 122.357 122.820 0.021 0.000 1.898 313 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 313 A C 2.236 179.858 177.584 0.063 0.000 1.181 313 A CA 1.357 53.424 52.037 0.050 0.000 0.620 313 A CB -0.435 18.577 19.000 0.021 0.000 0.819 313 A HN 0.415 nan 8.150 nan 0.000 0.442 314 R N 0.113 120.642 120.500 0.048 0.000 2.081 314 R HA -0.062 4.277 4.340 -0.001 0.000 0.235 314 R C 2.418 178.772 176.300 0.091 0.000 1.131 314 R CA 1.609 57.791 56.100 0.137 0.000 0.960 314 R CB -1.033 29.342 30.300 0.126 0.000 0.856 314 R HN 0.532 nan 8.270 nan 0.000 0.436 315 S N 1.378 117.078 115.700 -0.000 0.000 2.368 315 S HA -0.119 4.350 4.470 -0.001 0.000 0.225 315 S C 1.353 175.852 174.600 -0.169 0.000 1.030 315 S CA 1.336 59.451 58.200 -0.141 0.000 0.999 315 S CB -0.240 63.012 63.200 0.087 0.000 0.844 315 S HN 0.264 nan 8.310 nan 0.000 0.459 316 D N 1.652 122.143 120.400 0.150 0.000 2.126 316 D HA -0.114 4.525 4.640 -0.001 0.000 0.190 316 D C 1.895 178.206 176.300 0.018 0.000 1.001 316 D CA 0.992 55.126 54.000 0.222 0.000 0.841 316 D CB -0.492 40.441 40.800 0.221 0.000 0.949 316 D HN 0.290 nan 8.370 nan 0.000 0.446 317 L N -0.149 121.061 121.223 -0.022 0.000 2.046 317 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 317 L C 2.408 179.107 176.870 -0.284 0.000 1.077 317 L CA 0.504 55.308 54.840 -0.060 0.000 0.747 317 L CB -0.242 41.856 42.059 0.064 0.000 0.896 317 L HN 0.071 nan 8.230 nan 0.000 0.432 318 L N -0.910 119.968 121.223 -0.576 0.000 2.044 318 L HA -0.120 4.219 4.340 -0.001 0.000 0.205 318 L C 2.326 178.503 176.870 -1.155 0.000 1.075 318 L CA 1.573 55.731 54.840 -1.137 0.000 0.747 318 L CB -0.337 40.732 42.059 -1.650 0.000 0.903 318 L HN -0.077 nan 8.230 nan 0.000 0.435 319 V N -0.024 119.332 119.914 -0.930 0.000 2.407 319 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 319 V C 2.302 178.223 176.094 -0.288 0.000 1.055 319 V CA 1.878 63.780 62.300 -0.664 0.000 1.049 319 V CB -0.804 30.583 31.823 -0.726 0.000 0.662 319 V HN 0.583 nan 8.190 nan 0.000 0.455 320 D N -0.701 119.596 120.400 -0.171 0.000 2.117 320 D HA -0.208 4.432 4.640 -0.001 0.000 0.197 320 D C 2.235 178.516 176.300 -0.031 0.000 0.987 320 D CA 1.202 55.216 54.000 0.023 0.000 0.829 320 D CB -0.007 40.864 40.800 0.118 0.000 0.961 320 D HN 0.294 nan 8.370 nan 0.000 0.460 321 Q N -0.486 119.225 119.800 -0.148 0.000 2.050 321 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 321 Q C 2.168 178.188 176.000 0.034 0.000 0.980 321 Q CA 1.014 56.754 55.803 -0.105 0.000 0.840 321 Q CB -0.632 27.982 28.738 -0.207 0.000 0.898 321 Q HN 0.553 nan 8.270 nan 0.000 0.424 322 W N 1.512 122.709 121.300 -0.172 0.000 2.338 322 W HA -0.105 4.555 4.660 -0.001 0.000 0.304 322 W C 2.073 178.482 176.519 -0.183 0.000 1.212 322 W CA 0.773 58.017 57.345 -0.168 0.000 1.264 322 W CB -0.656 28.674 29.460 -0.215 0.000 1.142 322 W HN 0.221 nan 8.180 nan 0.000 0.512 323 K N 0.151 120.517 120.400 -0.058 0.000 2.148 323 K HA -0.125 4.195 4.320 -0.001 0.000 0.204 323 K C 1.927 178.375 176.600 -0.254 0.000 1.050 323 K CA 1.116 57.214 56.287 -0.315 0.000 0.942 323 K CB -0.207 31.791 32.500 -0.837 0.000 0.724 323 K HN 0.099 nan 8.250 nan 0.000 0.446 324 K N 1.104 121.446 120.400 -0.096 0.000 2.025 324 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 324 K C 2.126 178.801 176.600 0.125 0.000 1.049 324 K CA 1.231 57.590 56.287 0.119 0.000 0.933 324 K CB -0.030 32.554 32.500 0.140 0.000 0.714 324 K HN 0.012 nan 8.250 nan 0.000 0.438 325 K N 0.808 121.288 120.400 0.133 0.000 2.063 325 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 325 K C 2.031 178.759 176.600 0.213 0.000 1.048 325 K CA 1.314 57.710 56.287 0.181 0.000 0.928 325 K CB -0.103 32.523 32.500 0.210 0.000 0.713 325 K HN 0.151 nan 8.250 nan 0.000 0.442 326 A N 1.170 124.097 122.820 0.178 0.000 2.070 326 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 326 A C 1.691 179.446 177.584 0.285 0.000 1.159 326 A CA 1.283 53.462 52.037 0.235 0.000 0.656 326 A CB -0.313 18.783 19.000 0.160 0.000 0.800 326 A HN 0.311 nan 8.150 nan 0.000 0.453 327 E N 0.023 120.366 120.200 0.238 0.000 2.265 327 E HA -0.103 4.247 4.350 -0.001 0.000 0.196 327 E C 1.573 178.299 176.600 0.211 0.000 0.996 327 E CA 0.689 57.238 56.400 0.248 0.000 0.832 327 E CB -0.231 29.641 29.700 0.286 0.000 0.756 327 E HN 0.721 nan 8.360 nan 0.000 0.491 328 L N -0.676 120.627 121.223 0.133 0.000 2.558 328 L HA 0.055 4.394 4.340 -0.001 0.000 0.225 328 L C 0.227 176.883 176.870 -0.356 0.000 1.128 328 L CA 0.229 55.011 54.840 -0.097 0.000 0.868 328 L CB -0.034 41.844 42.059 -0.300 0.000 1.006 328 L HN -0.000 nan 8.230 nan 0.000 0.454 329 Y N -1.672 118.713 120.300 0.141 0.000 2.633 329 Y HA 0.376 4.925 4.550 -0.001 0.000 0.339 329 Y C 1.100 177.118 175.900 0.195 0.000 1.045 329 Y CA -0.962 57.240 58.100 0.171 0.000 1.098 329 Y CB 1.269 39.839 38.460 0.182 0.000 1.296 329 Y HN -0.284 nan 8.280 nan 0.000 0.494 330 R N -0.525 120.216 120.500 0.403 0.000 2.265 330 R HA 0.084 4.424 4.340 -0.001 0.000 0.194 330 R C 0.345 176.777 176.300 0.221 0.000 0.931 330 R CA 0.736 56.982 56.100 0.243 0.000 1.032 330 R CB 0.292 30.669 30.300 0.129 0.000 0.980 330 R HN 0.747 nan 8.270 nan 0.000 0.497 331 T N -0.848 113.882 114.554 0.292 0.000 2.922 331 T HA 0.102 4.451 4.350 -0.001 0.000 0.281 331 T C 0.639 175.489 174.700 0.250 0.000 1.005 331 T CA -0.948 61.292 62.100 0.234 0.000 0.982 331 T CB 1.266 70.252 68.868 0.196 0.000 1.158 331 T HN 0.078 nan 8.240 nan 0.000 0.566 332 N N 0.150 118.971 118.700 0.203 0.000 2.322 332 N HA 0.127 4.866 4.740 -0.001 0.000 0.216 332 N C -0.683 174.820 175.510 -0.012 0.000 1.144 332 N CA -0.349 52.783 53.050 0.136 0.000 0.830 332 N CB -0.159 38.328 38.487 -0.000 0.000 1.034 332 N HN 0.376 nan 8.380 nan 0.000 0.484 333 V N 1.289 121.230 119.914 0.044 0.000 2.409 333 V HA 0.420 4.540 4.120 -0.001 0.000 0.291 333 V C -0.658 175.522 176.094 0.142 0.000 1.020 333 V CA -0.973 61.355 62.300 0.047 0.000 0.848 333 V CB 1.564 33.396 31.823 0.014 0.000 0.990 333 V HN 0.177 nan 8.190 nan 0.000 0.430 334 L N 5.749 127.001 121.223 0.047 0.000 2.341 334 L HA 0.698 5.037 4.340 -0.001 0.000 0.278 334 L C -0.881 175.859 176.870 -0.216 0.000 1.005 334 L CA -0.478 54.306 54.840 -0.095 0.000 0.818 334 L CB 1.686 43.593 42.059 -0.254 0.000 1.259 334 L HN 0.634 nan 8.230 nan 0.000 0.418 335 L N 6.322 127.212 121.223 -0.556 0.000 2.275 335 L HA 0.564 4.903 4.340 -0.001 0.000 0.288 335 L C -1.029 175.559 176.870 -0.470 0.000 1.046 335 L CA 0.124 54.483 54.840 -0.802 0.000 0.805 335 L CB 0.797 41.893 42.059 -1.604 0.000 1.193 335 L HN 0.442 nan 8.230 nan 0.000 0.426 336 I N 7.330 127.700 120.570 -0.332 0.000 2.502 336 I HA 0.337 4.506 4.170 -0.001 0.000 0.276 336 I C -2.293 173.802 176.117 -0.037 0.000 1.057 336 I CA -2.038 59.158 61.300 -0.173 0.000 1.163 336 I CB 1.001 38.867 38.000 -0.225 0.000 1.288 336 I HN 0.426 nan 8.210 nan 0.000 0.479 337 P HA 0.143 nan 4.420 nan 0.000 0.268 337 P C -0.410 177.066 177.300 0.294 0.000 1.205 337 P CA -0.213 63.017 63.100 0.217 0.000 0.771 337 P CB 0.836 32.709 31.700 0.288 0.000 0.858 338 L N 3.211 124.643 121.223 0.349 0.000 2.462 338 L HA 0.753 5.093 4.340 -0.001 0.000 0.255 338 L C -0.054 176.879 176.870 0.105 0.000 1.076 338 L CA 0.390 55.357 54.840 0.212 0.000 0.920 338 L CB 0.423 42.540 42.059 0.096 0.000 1.214 338 L HN 0.619 nan 8.230 nan 0.000 0.472 339 G N 1.590 110.340 108.800 -0.084 0.000 2.342 339 G HA2 0.477 4.437 3.960 -0.001 0.000 0.297 339 G HA3 0.477 4.437 3.960 -0.001 0.000 0.297 339 G C -2.186 172.593 174.900 -0.202 0.000 1.313 339 G CA -0.242 44.571 45.100 -0.479 0.000 0.830 339 G HN 0.366 nan 8.290 nan 0.000 0.506 340 D N -1.787 118.551 120.400 -0.103 0.000 2.879 340 D HA 0.324 4.964 4.640 -0.001 0.000 0.346 340 D C -1.567 174.857 176.300 0.206 0.000 1.390 340 D CA -0.449 53.664 54.000 0.188 0.000 0.838 340 D CB 1.381 42.246 40.800 0.109 0.000 1.416 340 D HN 0.228 nan 8.370 nan 0.000 0.493 341 D N 0.309 120.878 120.400 0.282 0.000 2.417 341 D HA 0.261 4.901 4.640 -0.001 0.000 0.250 341 D C 0.121 176.567 176.300 0.242 0.000 1.166 341 D CA 0.503 54.659 54.000 0.260 0.000 0.881 341 D CB -0.235 40.800 40.800 0.393 0.000 1.164 341 D HN 0.371 nan 8.370 nan 0.000 0.467 342 F N 0.146 120.170 119.950 0.123 0.000 3.090 342 F HA -0.310 4.217 4.527 -0.001 0.000 0.282 342 F C 1.075 176.914 175.800 0.064 0.000 0.923 342 F CA 0.482 58.528 58.000 0.077 0.000 0.977 342 F CB -0.784 38.251 39.000 0.059 0.000 0.954 342 F HN 0.228 nan 8.300 nan 0.000 0.695 343 R N -0.316 120.268 120.500 0.141 0.000 2.583 343 R HA 0.483 4.822 4.340 -0.001 0.000 0.268 343 R C 0.716 177.032 176.300 0.027 0.000 1.101 343 R CA -0.666 55.393 56.100 -0.069 0.000 1.180 343 R CB -0.038 30.096 30.300 -0.277 0.000 1.128 343 R HN 0.252 nan 8.270 nan 0.000 0.568 344 F N -0.824 118.964 119.950 -0.270 0.000 3.056 344 F HA -0.271 4.255 4.527 -0.001 0.000 0.301 344 F C 1.390 177.165 175.800 -0.041 0.000 0.907 344 F CA 0.908 58.572 58.000 -0.560 0.000 1.113 344 F CB -0.959 37.392 39.000 -1.081 0.000 1.123 344 F HN 0.589 nan 8.300 nan 0.000 0.661 345 K N 0.000 120.469 120.400 0.115 0.000 2.137 345 K HA 0.047 4.366 4.320 -0.001 0.000 0.202 345 K C 0.666 177.409 176.600 0.239 0.000 1.052 345 K CA 1.012 57.429 56.287 0.216 0.000 0.961 345 K CB 0.255 32.850 32.500 0.159 0.000 0.741 345 K HN 0.487 nan 8.250 nan 0.000 0.452 346 Q N 0.255 120.182 119.800 0.213 0.000 2.266 346 Q HA 0.215 4.555 4.340 -0.001 0.000 0.261 346 Q C 0.166 176.367 176.000 0.334 0.000 0.985 346 Q CA -0.675 55.269 55.803 0.235 0.000 0.873 346 Q CB 1.694 30.576 28.738 0.240 0.000 1.306 346 Q HN 0.131 nan 8.270 nan 0.000 0.447 347 N N 0.527 119.388 118.700 0.269 0.000 2.094 347 N HA -0.185 4.555 4.740 -0.001 0.000 0.191 347 N C 1.611 177.285 175.510 0.272 0.000 1.023 347 N CA 2.248 55.453 53.050 0.258 0.000 0.857 347 N CB -0.236 38.349 38.487 0.163 0.000 1.013 347 N HN 0.737 nan 8.380 nan 0.000 0.426 348 T N -1.093 113.615 114.554 0.256 0.000 2.881 348 T HA -0.121 4.229 4.350 -0.001 0.000 0.270 348 T C 1.715 176.620 174.700 0.340 0.000 1.068 348 T CA 1.165 63.436 62.100 0.286 0.000 1.131 348 T CB -0.102 68.922 68.868 0.260 0.000 0.871 348 T HN 0.345 nan 8.240 nan 0.000 0.479 349 E N -0.226 120.122 120.200 0.247 0.000 2.072 349 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 349 E C 1.811 178.336 176.600 -0.125 0.000 0.982 349 E CA 0.668 56.982 56.400 -0.143 0.000 0.803 349 E CB -0.247 29.194 29.700 -0.431 0.000 0.755 349 E HN 0.703 nan 8.360 nan 0.000 0.453 350 W N 1.823 123.059 121.300 -0.107 0.000 2.318 350 W HA -0.205 4.454 4.660 -0.001 0.000 0.313 350 W C 2.154 178.535 176.519 -0.230 0.000 1.221 350 W CA 1.313 58.492 57.345 -0.278 0.000 1.266 350 W CB -0.310 28.640 29.460 -0.851 0.000 1.150 350 W HN 0.182 nan 8.180 nan 0.000 0.496 351 D N -0.530 119.972 120.400 0.171 0.000 2.097 351 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 351 D C 2.285 178.684 176.300 0.166 0.000 0.989 351 D CA 1.521 55.667 54.000 0.243 0.000 0.827 351 D CB -0.953 39.991 40.800 0.239 0.000 0.966 351 D HN 0.026 nan 8.370 nan 0.000 0.456 352 V N 0.985 120.981 119.914 0.137 0.000 2.427 352 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 352 V C 2.241 178.372 176.094 0.062 0.000 1.051 352 V CA 1.574 63.933 62.300 0.099 0.000 1.048 352 V CB -0.075 31.854 31.823 0.177 0.000 0.666 352 V HN 0.159 nan 8.190 nan 0.000 0.456 353 Q N -0.310 119.565 119.800 0.126 0.000 2.020 353 Q HA -0.188 4.151 4.340 -0.001 0.000 0.198 353 Q C 2.351 178.550 176.000 0.331 0.000 0.974 353 Q CA 1.884 57.854 55.803 0.278 0.000 0.829 353 Q CB -0.503 28.382 28.738 0.245 0.000 0.894 353 Q HN 0.613 nan 8.270 nan 0.000 0.433 354 R N 0.526 121.193 120.500 0.278 0.000 2.073 354 R HA -0.112 4.228 4.340 -0.001 0.000 0.234 354 R C 2.238 178.710 176.300 0.287 0.000 1.134 354 R CA 1.433 57.747 56.100 0.358 0.000 0.952 354 R CB -0.094 30.421 30.300 0.358 0.000 0.850 354 R HN 0.065 nan 8.270 nan 0.000 0.433 355 V N 1.926 121.929 119.914 0.148 0.000 2.358 355 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 355 V C 2.003 178.041 176.094 -0.093 0.000 1.047 355 V CA 1.826 64.157 62.300 0.052 0.000 1.035 355 V CB -0.588 31.256 31.823 0.035 0.000 0.658 355 V HN 0.438 nan 8.190 nan 0.000 0.452 356 N N -0.705 117.829 118.700 -0.277 0.000 2.142 356 N HA -0.153 4.587 4.740 -0.001 0.000 0.186 356 N C 1.869 177.072 175.510 -0.513 0.000 1.023 356 N CA 1.560 54.239 53.050 -0.617 0.000 0.852 356 N CB -0.302 37.222 38.487 -1.605 0.000 0.998 356 N HN 0.511 nan 8.380 nan 0.000 0.424 357 Y N 2.021 122.127 120.300 -0.323 0.000 2.224 357 Y HA -0.101 4.448 4.550 -0.001 0.000 0.289 357 Y C 2.382 177.773 175.900 -0.847 0.000 1.146 357 Y CA 1.127 58.919 58.100 -0.514 0.000 1.182 357 Y CB -0.114 38.144 38.460 -0.337 0.000 0.983 357 Y HN 0.138 nan 8.280 nan 0.000 0.524 358 E N -0.286 119.775 120.200 -0.232 0.000 2.110 358 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 358 E C 2.234 178.791 176.600 -0.071 0.000 0.988 358 E CA 1.009 57.358 56.400 -0.084 0.000 0.804 358 E CB -0.142 29.635 29.700 0.128 0.000 0.745 358 E HN 0.459 nan 8.360 nan 0.000 0.458 359 R N 0.338 120.774 120.500 -0.107 0.000 2.075 359 R HA -0.094 4.245 4.340 -0.001 0.000 0.232 359 R C 2.463 178.737 176.300 -0.043 0.000 1.126 359 R CA 0.867 56.931 56.100 -0.060 0.000 0.963 359 R CB -0.265 29.980 30.300 -0.092 0.000 0.858 359 R HN 0.171 nan 8.270 nan 0.000 0.435 360 L N -0.403 120.729 121.223 -0.153 0.000 2.017 360 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 360 L C 2.243 179.165 176.870 0.087 0.000 1.073 360 L CA 1.511 56.297 54.840 -0.090 0.000 0.745 360 L CB -0.458 41.460 42.059 -0.234 0.000 0.894 360 L HN 0.161 nan 8.230 nan 0.000 0.432 361 F N -0.005 119.960 119.950 0.026 0.000 2.095 361 F HA -0.274 4.253 4.527 -0.001 0.000 0.298 361 F C 2.724 178.531 175.800 0.012 0.000 1.104 361 F CA 1.141 59.142 58.000 0.002 0.000 1.232 361 F CB -0.248 38.711 39.000 -0.068 0.000 0.987 361 F HN 0.181 nan 8.300 nan 0.000 0.475 362 E N -0.077 120.254 120.200 0.217 0.000 2.077 362 E HA -0.305 4.044 4.350 -0.001 0.000 0.193 362 E C 1.978 178.663 176.600 0.142 0.000 0.989 362 E CA 1.545 58.032 56.400 0.145 0.000 0.800 362 E CB -0.180 29.589 29.700 0.116 0.000 0.746 362 E HN 0.472 nan 8.360 nan 0.000 0.452 363 H N 0.191 119.310 119.070 0.082 0.000 2.299 363 H HA -0.050 4.505 4.556 -0.001 0.000 0.302 363 H C 2.047 177.460 175.328 0.143 0.000 1.078 363 H CA 2.144 58.253 56.048 0.101 0.000 1.323 363 H CB -0.163 29.655 29.762 0.093 0.000 1.381 363 H HN 0.146 nan 8.280 nan 0.000 0.498 364 I N 0.417 121.067 120.570 0.133 0.000 2.179 364 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 364 I C 1.658 177.805 176.117 0.049 0.000 1.088 364 I CA 1.351 62.685 61.300 0.058 0.000 1.357 364 I CB -0.279 37.690 38.000 -0.052 0.000 1.051 364 I HN 0.362 nan 8.210 nan 0.000 0.409 365 N N 0.271 118.991 118.700 0.032 0.000 2.453 365 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 365 N C 1.815 177.310 175.510 -0.024 0.000 1.041 365 N CA 1.453 54.496 53.050 -0.011 0.000 0.900 365 N CB -0.250 38.221 38.487 -0.027 0.000 0.961 365 N HN 0.403 nan 8.380 nan 0.000 0.443 366 S N -1.010 114.670 115.700 -0.034 0.000 2.535 366 S HA 0.141 4.610 4.470 -0.001 0.000 0.214 366 S C 0.535 175.086 174.600 -0.082 0.000 0.980 366 S CA -0.178 57.992 58.200 -0.048 0.000 0.907 366 S CB 0.296 63.477 63.200 -0.031 0.000 0.790 366 S HN -0.022 nan 8.310 nan 0.000 0.510 367 Q N 1.274 121.002 119.800 -0.121 0.000 2.465 367 Q HA 0.544 4.884 4.340 -0.001 0.000 0.237 367 Q C 0.940 176.824 176.000 -0.194 0.000 1.051 367 Q CA 0.094 55.790 55.803 -0.178 0.000 0.874 367 Q CB 1.291 29.817 28.738 -0.353 0.000 1.207 367 Q HN 0.436 nan 8.270 nan 0.000 0.508 368 A N 2.786 125.554 122.820 -0.086 0.000 1.948 368 A HA -0.276 4.043 4.320 -0.001 0.000 0.220 368 A C 1.638 179.181 177.584 -0.069 0.000 1.177 368 A CA 2.240 54.245 52.037 -0.053 0.000 0.636 368 A CB -0.759 18.235 19.000 -0.010 0.000 0.815 368 A HN 0.906 nan 8.150 nan 0.000 0.449 369 H N -3.296 115.699 119.070 -0.125 0.000 2.457 369 H HA -0.056 4.499 4.556 -0.001 0.000 0.297 369 H C 1.615 176.895 175.328 -0.081 0.000 1.092 369 H CA 1.598 57.562 56.048 -0.140 0.000 1.309 369 H CB -0.693 28.927 29.762 -0.237 0.000 1.382 369 H HN 0.512 nan 8.280 nan 0.000 0.535 370 F N 0.871 120.540 119.950 -0.468 0.000 2.259 370 F HA -0.059 4.467 4.527 -0.001 0.000 0.298 370 F C 0.680 176.426 175.800 -0.091 0.000 1.088 370 F CA 0.356 58.205 58.000 -0.251 0.000 1.358 370 F CB 0.011 38.830 39.000 -0.303 0.000 1.040 370 F HN 0.141 nan 8.300 nan 0.000 0.505 371 N N 0.800 119.554 118.700 0.090 0.000 2.725 371 N HA -0.166 4.574 4.740 -0.001 0.000 0.251 371 N C -1.177 174.319 175.510 -0.024 0.000 1.031 371 N CA 0.377 53.459 53.050 0.053 0.000 0.720 371 N CB -1.523 37.041 38.487 0.127 0.000 0.930 371 N HN 0.027 nan 8.380 nan 0.000 0.543 372 V N 0.609 120.502 119.914 -0.035 0.000 2.735 372 V HA 0.406 4.525 4.120 -0.001 0.000 0.310 372 V C 0.147 176.158 176.094 -0.139 0.000 1.061 372 V CA -0.667 61.560 62.300 -0.122 0.000 0.913 372 V CB 2.470 34.250 31.823 -0.072 0.000 1.005 372 V HN 0.186 nan 8.190 nan 0.000 0.428 373 Q N 3.055 122.716 119.800 -0.231 0.000 2.339 373 Q HA 0.756 5.096 4.340 -0.001 0.000 0.268 373 Q C -0.815 174.928 176.000 -0.429 0.000 1.027 373 Q CA -0.147 55.492 55.803 -0.273 0.000 0.759 373 Q CB 1.645 30.226 28.738 -0.262 0.000 1.244 373 Q HN 0.999 nan 8.270 nan 0.000 0.464 374 A N 4.403 126.952 122.820 -0.452 0.000 2.350 374 A HA 0.899 5.218 4.320 -0.001 0.000 0.324 374 A C -1.220 175.665 177.584 -1.165 0.000 1.118 374 A CA -0.525 51.072 52.037 -0.733 0.000 0.783 374 A CB 1.230 19.981 19.000 -0.415 0.000 1.236 374 A HN 0.761 nan 8.150 nan 0.000 0.457 375 Q N 1.394 120.419 119.800 -1.292 0.000 2.575 375 Q HA 0.425 4.765 4.340 -0.001 0.000 0.290 375 Q C -1.539 174.021 176.000 -0.733 0.000 0.963 375 Q CA -0.634 54.461 55.803 -1.181 0.000 0.783 375 Q CB 0.703 29.102 28.738 -0.566 0.000 1.467 375 Q HN 0.484 nan 8.270 nan 0.000 0.402 376 F N 0.425 120.284 119.950 -0.152 0.000 2.518 376 F HA 0.553 5.079 4.527 -0.001 0.000 0.359 376 F C 1.273 177.115 175.800 0.071 0.000 1.118 376 F CA 1.208 59.247 58.000 0.064 0.000 1.287 376 F CB 0.978 40.075 39.000 0.160 0.000 1.132 376 F HN 0.745 nan 8.300 nan 0.000 0.587 377 G N 0.735 109.721 108.800 0.309 0.000 2.727 377 G HA2 0.595 4.554 3.960 -0.001 0.000 0.289 377 G HA3 0.595 4.554 3.960 -0.001 0.000 0.289 377 G C -1.129 173.789 174.900 0.030 0.000 1.418 377 G CA -0.724 44.509 45.100 0.221 0.000 0.818 377 G HN 0.652 nan 8.290 nan 0.000 0.486 378 T N -1.933 112.563 114.554 -0.095 0.000 2.937 378 T HA 0.467 4.816 4.350 -0.001 0.000 0.283 378 T C 1.251 175.804 174.700 -0.245 0.000 1.012 378 T CA -0.491 61.506 62.100 -0.172 0.000 0.997 378 T CB 1.510 70.289 68.868 -0.148 0.000 1.136 378 T HN 0.514 nan 8.240 nan 0.000 0.551 379 L N 0.521 121.597 121.223 -0.247 0.000 2.056 379 L HA 0.046 4.385 4.340 -0.001 0.000 0.207 379 L C 2.757 179.586 176.870 -0.069 0.000 1.078 379 L CA 1.942 56.661 54.840 -0.202 0.000 0.749 379 L CB -1.185 40.794 42.059 -0.134 0.000 0.901 379 L HN 0.889 nan 8.230 nan 0.000 0.433 380 Q N 0.018 119.805 119.800 -0.022 0.000 2.124 380 Q HA -0.228 4.111 4.340 -0.001 0.000 0.202 380 Q C 2.069 178.004 176.000 -0.108 0.000 0.977 380 Q CA 2.041 57.861 55.803 0.029 0.000 0.850 380 Q CB -0.155 28.575 28.738 -0.013 0.000 0.901 380 Q HN 0.641 nan 8.270 nan 0.000 0.429 381 E N -1.232 118.816 120.200 -0.253 0.000 2.077 381 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 381 E C 1.689 177.828 176.600 -0.768 0.000 0.989 381 E CA 1.174 57.300 56.400 -0.456 0.000 0.800 381 E CB -0.334 29.064 29.700 -0.504 0.000 0.746 381 E HN 0.468 nan 8.360 nan 0.000 0.452 382 Y N 0.552 120.293 120.300 -0.932 0.000 2.097 382 Y HA -0.274 4.275 4.550 -0.001 0.000 0.282 382 Y C 1.828 177.404 175.900 -0.541 0.000 1.152 382 Y CA 1.727 59.296 58.100 -0.886 0.000 1.136 382 Y CB -0.565 37.417 38.460 -0.796 0.000 0.975 382 Y HN -0.027 nan 8.280 nan 0.000 0.498 383 F N 0.520 120.198 119.950 -0.453 0.000 2.171 383 F HA -0.222 4.304 4.527 -0.001 0.000 0.300 383 F C 2.222 177.780 175.800 -0.403 0.000 1.090 383 F CA 1.236 58.949 58.000 -0.479 0.000 1.293 383 F CB -0.322 38.594 39.000 -0.141 0.000 1.013 383 F HN 0.089 nan 8.300 nan 0.000 0.486 384 D N 0.383 120.726 120.400 -0.094 0.000 2.123 384 D HA -0.187 4.453 4.640 -0.001 0.000 0.196 384 D C 2.287 178.503 176.300 -0.140 0.000 0.992 384 D CA 1.472 55.425 54.000 -0.079 0.000 0.833 384 D CB -0.568 40.178 40.800 -0.090 0.000 0.954 384 D HN 0.258 nan 8.370 nan 0.000 0.455 385 A N 0.465 123.138 122.820 -0.245 0.000 1.930 385 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 385 A C 2.526 179.982 177.584 -0.215 0.000 1.175 385 A CA 0.961 52.898 52.037 -0.167 0.000 0.627 385 A CB -0.634 18.332 19.000 -0.056 0.000 0.815 385 A HN 0.137 nan 8.150 nan 0.000 0.443 386 V N -0.076 119.571 119.914 -0.444 0.000 2.295 386 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 386 V C 2.417 178.325 176.094 -0.310 0.000 1.049 386 V CA 2.131 64.168 62.300 -0.438 0.000 1.024 386 V CB -1.022 30.359 31.823 -0.735 0.000 0.648 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.313 118.640 119.070 -0.195 0.000 2.462 387 H HA -0.069 4.486 4.556 -0.001 0.000 0.292 387 H C 2.408 177.700 175.328 -0.061 0.000 1.049 387 H CA 1.309 57.274 56.048 -0.138 0.000 1.334 387 H CB -0.088 29.552 29.762 -0.204 0.000 1.404 387 H HN 0.547 nan 8.280 nan 0.000 0.544 388 Q N 0.409 120.227 119.800 0.029 0.000 2.061 388 Q HA -0.094 4.245 4.340 -0.001 0.000 0.204 388 Q C 2.577 178.595 176.000 0.030 0.000 0.984 388 Q CA 1.480 57.295 55.803 0.021 0.000 0.846 388 Q CB -0.044 28.695 28.738 0.001 0.000 0.902 388 Q HN 0.415 nan 8.270 nan 0.000 0.421 389 A N 0.991 123.825 122.820 0.023 0.000 1.902 389 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 389 A C 1.942 179.559 177.584 0.054 0.000 1.181 389 A CA 1.649 53.714 52.037 0.046 0.000 0.623 389 A CB -0.602 18.430 19.000 0.053 0.000 0.818 389 A HN 0.456 nan 8.150 nan 0.000 0.443 390 E N -0.252 119.997 120.200 0.081 0.000 2.058 390 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 390 E C 2.241 178.880 176.600 0.064 0.000 0.997 390 E CA 1.327 57.783 56.400 0.093 0.000 0.801 390 E CB -0.125 29.738 29.700 0.271 0.000 0.746 390 E HN 0.597 nan 8.360 nan 0.000 0.450 391 R N -0.328 120.212 120.500 0.067 0.000 2.148 391 R HA -0.022 4.318 4.340 -0.001 0.000 0.227 391 R C 2.221 178.539 176.300 0.030 0.000 1.103 391 R CA 0.804 56.929 56.100 0.043 0.000 0.983 391 R CB -0.126 30.195 30.300 0.034 0.000 0.874 391 R HN 0.139 nan 8.270 nan 0.000 0.451 392 A N 0.199 123.038 122.820 0.033 0.000 2.209 392 A HA 0.097 4.416 4.320 -0.001 0.000 0.212 392 A C 1.444 179.042 177.584 0.023 0.000 1.158 392 A CA 1.038 53.093 52.037 0.030 0.000 0.742 392 A CB -0.244 18.780 19.000 0.041 0.000 0.790 392 A HN 0.463 nan 8.150 nan 0.000 0.472 393 G N -0.671 108.138 108.800 0.016 0.000 2.132 393 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.234 393 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.234 393 G C 0.635 175.529 174.900 -0.010 0.000 0.989 393 G CA 0.654 45.754 45.100 0.001 0.000 0.676 393 G HN 0.994 nan 8.290 nan 0.000 0.522 394 Q N -0.776 119.024 119.800 0.000 0.000 2.392 394 Q HA 0.683 5.023 4.340 -0.001 0.000 0.203 394 Q C 0.839 176.817 176.000 -0.037 0.000 0.917 394 Q CA 1.027 56.833 55.803 0.004 0.000 0.939 394 Q CB 0.522 29.301 28.738 0.067 0.000 1.063 394 Q HN 1.587 nan 8.270 nan 0.000 0.516 395 A N 0.740 123.495 122.820 -0.108 0.000 2.574 395 A HA 0.617 4.937 4.320 -0.001 0.000 0.297 395 A C -1.726 175.630 177.584 -0.379 0.000 1.062 395 A CA -0.951 50.922 52.037 -0.273 0.000 0.686 395 A CB 1.688 20.448 19.000 -0.399 0.000 1.285 395 A HN 0.243 nan 8.150 nan 0.000 0.403 396 E N 0.448 120.410 120.200 -0.397 0.000 2.238 396 E HA 0.685 5.034 4.350 -0.001 0.000 0.267 396 E C -1.477 174.909 176.600 -0.356 0.000 0.887 396 E CA -0.236 55.993 56.400 -0.285 0.000 0.769 396 E CB 1.694 31.341 29.700 -0.089 0.000 1.187 396 E HN 0.436 nan 8.360 nan 0.000 0.416 397 F N 2.470 122.525 119.950 0.175 0.000 2.450 397 F HA 0.476 5.003 4.527 -0.000 0.000 0.332 397 F C -1.722 174.180 175.800 0.170 0.000 1.093 397 F CA -2.139 55.989 58.000 0.214 0.000 1.003 397 F CB 1.251 40.460 39.000 0.348 0.000 1.151 397 F HN 0.295 nan 8.300 nan 0.000 0.474 398 P HA 0.160 nan 4.420 nan 0.000 0.274 398 P C -0.656 176.785 177.300 0.235 0.000 1.237 398 P CA -0.396 62.836 63.100 0.221 0.000 0.793 398 P CB 0.946 32.744 31.700 0.164 0.000 0.977 399 T N -0.520 114.124 114.554 0.150 0.000 2.907 399 T HA 0.674 5.024 4.350 -0.001 0.000 0.284 399 T C -0.274 174.457 174.700 0.052 0.000 1.004 399 T CA -0.798 61.383 62.100 0.134 0.000 1.063 399 T CB 1.022 69.946 68.868 0.094 0.000 0.992 399 T HN 0.457 nan 8.240 nan 0.000 0.483 400 L N 1.811 123.063 121.223 0.049 0.000 2.445 400 L HA 0.715 5.055 4.340 -0.001 0.000 0.262 400 L C -0.686 176.179 176.870 -0.010 0.000 0.974 400 L CA -0.435 54.326 54.840 -0.132 0.000 0.822 400 L CB 2.189 43.923 42.059 -0.541 0.000 1.339 400 L HN 1.104 nan 8.230 nan 0.000 0.409 401 S N 2.531 118.179 115.700 -0.086 0.000 2.599 401 S HA 1.061 5.531 4.470 -0.001 0.000 0.287 401 S C -0.333 174.193 174.600 -0.124 0.000 1.105 401 S CA -0.012 58.193 58.200 0.008 0.000 0.899 401 S CB 2.091 65.263 63.200 -0.046 0.000 1.100 401 S HN 1.661 nan 8.310 nan 0.000 0.482 402 G N 1.040 109.826 108.800 -0.023 0.000 2.331 402 G HA2 0.324 4.283 3.960 -0.001 0.000 0.402 402 G HA3 0.324 4.283 3.960 -0.001 0.000 0.402 402 G C -1.815 172.994 174.900 -0.152 0.000 1.275 402 G CA -0.033 44.956 45.100 -0.187 0.000 1.003 402 G HN 1.265 nan 8.290 nan 0.000 0.500 403 D N -1.633 118.549 120.400 -0.362 0.000 2.553 403 D HA 0.745 5.385 4.640 -0.001 0.000 0.249 403 D C -0.592 175.233 176.300 -0.792 0.000 1.062 403 D CA -1.102 52.707 54.000 -0.318 0.000 1.085 403 D CB 1.152 41.943 40.800 -0.015 0.000 1.350 403 D HN 0.416 nan 8.370 nan 0.000 0.575 404 F N -0.426 119.403 119.950 -0.202 0.000 2.679 404 F HA 0.404 4.931 4.527 -0.001 0.000 0.354 404 F C -0.793 174.845 175.800 -0.270 0.000 1.423 404 F CA -0.683 57.202 58.000 -0.192 0.000 1.141 404 F CB 0.249 39.162 39.000 -0.146 0.000 1.168 404 F HN 0.000 nan 8.300 nan 0.000 0.530 405 F N -0.669 119.471 119.950 0.318 0.000 2.538 405 F HA 0.530 5.056 4.527 -0.001 0.000 0.325 405 F C 0.570 176.642 175.800 0.453 0.000 1.066 405 F CA -1.162 57.093 58.000 0.426 0.000 0.946 405 F CB 1.836 41.081 39.000 0.408 0.000 1.199 405 F HN -0.266 nan 8.300 nan 0.000 0.473 406 T N 1.577 116.527 114.554 0.660 0.000 2.799 406 T HA 0.135 4.485 4.350 -0.001 0.000 0.286 406 T C -0.963 174.209 174.700 0.786 0.000 0.973 406 T CA -0.256 62.293 62.100 0.748 0.000 1.035 406 T CB 0.259 69.432 68.868 0.509 0.000 0.932 406 T HN 0.359 nan 8.240 nan 0.000 0.469 407 Y N 3.074 123.703 120.300 0.548 0.000 2.511 407 Y HA 0.414 4.963 4.550 -0.001 0.000 0.332 407 Y C -0.137 175.813 175.900 0.085 0.000 1.177 407 Y CA -1.166 57.082 58.100 0.247 0.000 1.422 407 Y CB 0.056 38.538 38.460 0.036 0.000 1.271 407 Y HN 0.675 nan 8.280 nan 0.000 0.550 408 A N 5.312 127.742 122.820 -0.649 0.000 2.356 408 A HA 0.368 4.687 4.320 -0.001 0.000 0.310 408 A C 0.034 177.061 177.584 -0.930 0.000 1.075 408 A CA -0.272 51.203 52.037 -0.937 0.000 0.746 408 A CB 0.664 18.816 19.000 -1.412 0.000 1.221 408 A HN 0.805 nan 8.150 nan 0.000 0.443 409 D N 1.613 121.577 120.400 -0.727 0.000 2.305 409 D HA 0.041 4.680 4.640 -0.001 0.000 0.206 409 D C 0.531 176.840 176.300 0.014 0.000 0.974 409 D CA 0.587 54.404 54.000 -0.305 0.000 0.871 409 D CB 0.147 40.847 40.800 -0.168 0.000 0.947 409 D HN 0.725 nan 8.370 nan 0.000 0.516 410 R N -1.231 119.212 120.500 -0.094 0.000 2.687 410 R HA 0.342 4.682 4.340 -0.001 0.000 0.265 410 R C 0.168 176.351 176.300 -0.195 0.000 1.048 410 R CA -0.083 55.813 56.100 -0.341 0.000 0.884 410 R CB 0.641 30.820 30.300 -0.203 0.000 1.258 410 R HN 0.002 nan 8.270 nan 0.000 0.469 411 S N 1.120 116.662 115.700 -0.264 0.000 4.106 411 S HA -0.375 4.095 4.470 -0.001 0.000 0.541 411 S C 0.653 175.330 174.600 0.128 0.000 1.846 411 S CA 1.698 59.889 58.200 -0.013 0.000 4.137 411 S CB -1.615 61.564 63.200 -0.036 0.000 0.892 411 S HN 1.062 nan 8.310 nan 0.000 0.535 412 D N 1.684 122.143 120.400 0.098 0.000 2.388 412 D HA 0.184 4.823 4.640 -0.001 0.000 0.221 412 D C -0.162 176.236 176.300 0.163 0.000 1.133 412 D CA -0.281 53.841 54.000 0.204 0.000 0.831 412 D CB -1.569 39.331 40.800 0.167 0.000 0.962 412 D HN 0.649 nan 8.370 nan 0.000 0.502 413 N N 0.939 119.638 118.700 -0.002 0.000 2.807 413 N HA 0.055 4.794 4.740 -0.001 0.000 0.259 413 N C -0.929 174.585 175.510 0.007 0.000 1.149 413 N CA -0.323 52.724 53.050 -0.006 0.000 1.042 413 N CB 0.144 38.610 38.487 -0.036 0.000 1.367 413 N HN 0.135 nan 8.380 nan 0.000 0.516 414 Y N 0.220 120.592 120.300 0.120 0.000 2.316 414 Y HA 0.114 4.663 4.550 -0.001 0.000 0.331 414 Y C 0.087 176.168 175.900 0.302 0.000 1.083 414 Y CA -0.647 57.589 58.100 0.226 0.000 1.206 414 Y CB 0.581 39.127 38.460 0.144 0.000 1.195 414 Y HN 0.395 nan 8.280 nan 0.000 0.497 415 W N 2.501 123.919 121.300 0.197 0.000 1.603 415 W HA 0.238 4.898 4.660 -0.001 0.000 0.392 415 W C 0.798 177.350 176.519 0.056 0.000 0.661 415 W CA -0.602 56.887 57.345 0.239 0.000 2.021 415 W CB -0.405 29.300 29.460 0.408 0.000 1.759 415 W HN 0.551 nan 8.180 nan 0.000 0.334 416 S N -2.041 113.685 115.700 0.042 0.000 2.524 416 S HA 0.134 4.604 4.470 -0.001 0.000 0.215 416 S C 1.937 176.264 174.600 -0.456 0.000 0.986 416 S CA 0.319 58.185 58.200 -0.556 0.000 0.911 416 S CB 0.184 63.372 63.200 -0.021 0.000 0.805 416 S HN 0.343 nan 8.310 nan 0.000 0.501 417 G N 2.037 110.768 108.800 -0.115 0.000 2.422 417 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 417 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 417 G C 1.253 176.129 174.900 -0.041 0.000 1.146 417 G CA 0.919 45.969 45.100 -0.084 0.000 0.769 417 G HN 0.805 nan 8.290 nan 0.000 0.547 418 Y N -0.924 119.346 120.300 -0.050 0.000 2.616 418 Y HA 0.193 4.742 4.550 -0.001 0.000 0.296 418 Y C 1.978 178.001 175.900 0.205 0.000 1.154 418 Y CA -0.065 58.083 58.100 0.081 0.000 1.325 418 Y CB -0.522 38.066 38.460 0.213 0.000 1.007 418 Y HN 0.334 nan 8.280 nan 0.000 0.542 419 Y N 0.314 120.388 120.300 -0.376 0.000 2.497 419 Y HA -0.111 4.438 4.550 -0.001 0.000 0.292 419 Y C 1.471 177.320 175.900 -0.086 0.000 1.137 419 Y CA 0.672 58.593 58.100 -0.299 0.000 1.285 419 Y CB 0.138 38.459 38.460 -0.231 0.000 0.991 419 Y HN 0.258 nan 8.280 nan 0.000 0.556 420 T N -2.309 112.310 114.554 0.109 0.000 2.964 420 T HA 0.048 4.398 4.350 -0.001 0.000 0.250 420 T C 0.624 175.409 174.700 0.142 0.000 0.982 420 T CA -0.166 61.999 62.100 0.109 0.000 0.959 420 T CB 0.140 69.044 68.868 0.061 0.000 1.141 420 T HN -0.089 nan 8.240 nan 0.000 0.494 421 S N 2.469 118.251 115.700 0.137 0.000 2.558 421 S HA 0.202 4.671 4.470 -0.001 0.000 0.293 421 S C 0.411 175.141 174.600 0.217 0.000 1.292 421 S CA -0.009 58.283 58.200 0.152 0.000 1.063 421 S CB 0.090 63.366 63.200 0.127 0.000 0.831 421 S HN 0.400 nan 8.310 nan 0.000 0.499 422 R N 1.061 121.706 120.500 0.241 0.000 3.205 422 R HA -0.120 4.220 4.340 -0.001 0.000 0.249 422 R C -2.051 174.492 176.300 0.404 0.000 0.937 422 R CA 0.675 56.990 56.100 0.359 0.000 0.641 422 R CB -1.767 28.771 30.300 0.396 0.000 1.114 422 R HN 0.501 nan 8.270 nan 0.000 0.451 423 P HA -0.209 nan 4.420 nan 0.000 0.223 423 P C 1.092 178.595 177.300 0.337 0.000 1.151 423 P CA 0.916 64.226 63.100 0.351 0.000 0.787 423 P CB -0.013 31.938 31.700 0.418 0.000 0.788 424 Y N 1.534 121.914 120.300 0.135 0.000 2.165 424 Y HA -0.239 4.310 4.550 -0.001 0.000 0.286 424 Y C 2.559 178.432 175.900 -0.045 0.000 1.155 424 Y CA 1.899 59.990 58.100 -0.015 0.000 1.164 424 Y CB -0.714 37.604 38.460 -0.237 0.000 0.978 424 Y HN 0.078 nan 8.280 nan 0.000 0.513 425 H N -0.621 118.677 119.070 0.379 0.000 2.482 425 H HA 0.004 4.560 4.556 -0.001 0.000 0.286 425 H C 1.970 177.435 175.328 0.228 0.000 1.017 425 H CA 1.074 57.270 56.048 0.247 0.000 1.322 425 H CB 0.032 30.013 29.762 0.366 0.000 1.426 425 H HN 0.385 nan 8.280 nan 0.000 0.546 426 K N 0.819 121.432 120.400 0.354 0.000 2.057 426 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 426 K C 2.417 179.062 176.600 0.076 0.000 1.049 426 K CA 1.142 57.572 56.287 0.238 0.000 0.931 426 K CB 0.110 32.731 32.500 0.202 0.000 0.714 426 K HN -0.017 nan 8.250 nan 0.000 0.440 427 R N 1.380 121.894 120.500 0.022 0.000 2.075 427 R HA -0.014 4.325 4.340 -0.001 0.000 0.232 427 R C 2.071 178.111 176.300 -0.434 0.000 1.126 427 R CA 1.458 57.496 56.100 -0.103 0.000 0.963 427 R CB -0.430 29.895 30.300 0.042 0.000 0.858 427 R HN 0.161 nan 8.270 nan 0.000 0.435 428 M N 0.289 119.501 119.600 -0.645 0.000 2.149 428 M HA -0.207 4.272 4.480 -0.001 0.000 0.261 428 M C 1.458 177.378 176.300 -0.634 0.000 1.064 428 M CA 2.426 57.084 55.300 -1.070 0.000 1.102 428 M CB -0.329 31.832 32.600 -0.732 0.000 1.369 428 M HN 0.295 nan 8.290 nan 0.000 0.408 429 D N -0.261 119.968 120.400 -0.284 0.000 2.116 429 D HA -0.221 4.418 4.640 -0.001 0.000 0.193 429 D C 1.894 178.087 176.300 -0.178 0.000 0.998 429 D CA 1.500 55.438 54.000 -0.103 0.000 0.836 429 D CB 0.102 41.002 40.800 0.166 0.000 0.951 429 D HN 0.214 nan 8.370 nan 0.000 0.449 430 R N 0.074 120.457 120.500 -0.195 0.000 2.092 430 R HA -0.022 4.318 4.340 -0.001 0.000 0.231 430 R C 2.439 178.601 176.300 -0.230 0.000 1.119 430 R CA 0.456 56.446 56.100 -0.183 0.000 0.970 430 R CB -0.994 29.222 30.300 -0.140 0.000 0.864 430 R HN 0.267 nan 8.270 nan 0.000 0.440 431 V N 1.494 121.166 119.914 -0.403 0.000 2.261 431 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 431 V C 2.372 178.223 176.094 -0.405 0.000 1.047 431 V CA 1.538 63.558 62.300 -0.468 0.000 1.015 431 V CB -0.590 30.649 31.823 -0.974 0.000 0.642 431 V HN 0.139 nan 8.190 nan 0.000 0.446 432 L N -0.371 120.563 121.223 -0.483 0.000 2.083 432 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 432 L C 2.315 179.095 176.870 -0.150 0.000 1.083 432 L CA 2.038 56.676 54.840 -0.337 0.000 0.752 432 L CB -0.676 41.192 42.059 -0.319 0.000 0.899 432 L HN 0.335 nan 8.230 nan 0.000 0.433 433 M N -1.459 118.054 119.600 -0.146 0.000 2.082 433 M HA -0.311 4.169 4.480 -0.001 0.000 0.258 433 M C 2.434 178.691 176.300 -0.072 0.000 1.069 433 M CA 2.286 57.510 55.300 -0.126 0.000 1.102 433 M CB -0.619 31.872 32.600 -0.182 0.000 1.336 433 M HN 0.530 nan 8.290 nan 0.000 0.404 434 H N -0.901 118.121 119.070 -0.079 0.000 2.357 434 H HA -0.173 4.383 4.556 -0.001 0.000 0.301 434 H C 1.709 177.096 175.328 0.099 0.000 1.082 434 H CA 2.066 58.112 56.048 -0.002 0.000 1.342 434 H CB -0.228 29.548 29.762 0.023 0.000 1.389 434 H HN 0.445 nan 8.280 nan 0.000 0.511 435 Y N 0.537 120.706 120.300 -0.218 0.000 2.224 435 Y HA -0.168 4.381 4.550 -0.001 0.000 0.289 435 Y C 2.955 178.737 175.900 -0.196 0.000 1.146 435 Y CA 0.996 58.971 58.100 -0.209 0.000 1.182 435 Y CB -0.642 37.750 38.460 -0.113 0.000 0.983 435 Y HN 0.024 nan 8.280 nan 0.000 0.524 436 V N 0.145 120.051 119.914 -0.014 0.000 2.295 436 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 436 V C 2.537 178.572 176.094 -0.097 0.000 1.049 436 V CA 2.171 64.433 62.300 -0.063 0.000 1.024 436 V CB -0.612 31.164 31.823 -0.078 0.000 0.648 436 V HN 0.304 nan 8.190 nan 0.000 0.447 437 R N 0.439 120.862 120.500 -0.127 0.000 2.083 437 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 437 R C 2.250 178.488 176.300 -0.104 0.000 1.137 437 R CA 1.969 58.000 56.100 -0.115 0.000 0.951 437 R CB -0.510 29.722 30.300 -0.113 0.000 0.851 437 R HN 0.462 nan 8.270 nan 0.000 0.434 438 A N 0.639 123.340 122.820 -0.198 0.000 1.898 438 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 438 A C 2.384 179.919 177.584 -0.081 0.000 1.181 438 A CA 1.592 53.570 52.037 -0.098 0.000 0.620 438 A CB -0.758 18.108 19.000 -0.223 0.000 0.819 438 A HN 0.579 nan 8.150 nan 0.000 0.442 439 A N -0.157 122.603 122.820 -0.100 0.000 1.902 439 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 439 A C 1.942 179.476 177.584 -0.084 0.000 1.181 439 A CA 1.577 53.564 52.037 -0.084 0.000 0.623 439 A CB -0.526 18.431 19.000 -0.072 0.000 0.818 439 A HN 0.617 nan 8.150 nan 0.000 0.443 440 E N -0.997 119.153 120.200 -0.084 0.000 2.077 440 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 440 E C 2.068 178.606 176.600 -0.103 0.000 0.989 440 E CA 1.386 57.730 56.400 -0.094 0.000 0.800 440 E CB -0.257 29.389 29.700 -0.089 0.000 0.746 440 E HN 0.748 nan 8.360 nan 0.000 0.452 441 M N 0.705 120.265 119.600 -0.067 0.000 2.077 441 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 441 M C 2.189 178.477 176.300 -0.020 0.000 1.070 441 M CA 1.322 56.583 55.300 -0.064 0.000 1.125 441 M CB 0.033 32.690 32.600 0.094 0.000 1.339 441 M HN 0.073 nan 8.290 nan 0.000 0.409 442 L N 0.063 121.327 121.223 0.069 0.000 2.079 442 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 442 L C 2.644 179.667 176.870 0.255 0.000 1.081 442 L CA 1.740 56.677 54.840 0.161 0.000 0.752 442 L CB -0.543 41.456 42.059 -0.099 0.000 0.896 442 L HN 0.515 nan 8.230 nan 0.000 0.433 443 S N -0.958 114.815 115.700 0.121 0.000 2.496 443 S HA 0.052 4.522 4.470 -0.001 0.000 0.224 443 S C 2.000 176.776 174.600 0.293 0.000 0.996 443 S CA 0.402 58.751 58.200 0.249 0.000 0.927 443 S CB -0.035 63.118 63.200 -0.079 0.000 0.774 443 S HN 0.297 nan 8.310 nan 0.000 0.524 444 A N 0.884 123.695 122.820 -0.015 0.000 2.067 444 A HA 0.075 4.395 4.320 -0.001 0.000 0.219 444 A C 1.691 179.158 177.584 -0.195 0.000 1.158 444 A CA 0.813 52.740 52.037 -0.183 0.000 0.661 444 A CB -1.181 17.562 19.000 -0.427 0.000 0.801 444 A HN 0.769 nan 8.150 nan 0.000 0.452 445 W N -0.722 120.578 121.300 -0.000 0.000 2.421 445 W HA 0.003 4.663 4.660 -0.001 0.000 0.270 445 W C 0.846 177.127 176.519 -0.396 0.000 1.233 445 W CA 0.944 58.182 57.345 -0.177 0.000 1.226 445 W CB -0.147 29.165 29.460 -0.247 0.000 1.121 445 W HN 0.394 nan 8.180 nan 0.000 0.579 446 H N -2.327 116.802 119.070 0.099 0.000 2.797 446 H HA 0.340 4.895 4.556 -0.001 0.000 0.372 446 H C -0.374 174.851 175.328 -0.172 0.000 1.168 446 H CA -0.953 54.994 56.048 -0.168 0.000 1.163 446 H CB 1.784 31.212 29.762 -0.557 0.000 1.778 446 H HN -0.429 nan 8.280 nan 0.000 0.551 447 S N 1.093 116.753 115.700 -0.067 0.000 2.565 447 S HA 0.249 4.718 4.470 -0.001 0.000 0.274 447 S C -1.269 173.215 174.600 -0.193 0.000 1.309 447 S CA -0.597 57.582 58.200 -0.035 0.000 1.043 447 S CB 0.203 63.394 63.200 -0.015 0.000 0.939 447 S HN 0.404 nan 8.310 nan 0.000 0.504 448 W N 2.424 123.730 121.300 0.009 0.000 2.666 448 W HA 0.360 5.019 4.660 -0.001 0.000 0.334 448 W C 0.184 176.664 176.519 -0.065 0.000 1.051 448 W CA -0.786 56.537 57.345 -0.036 0.000 1.224 448 W CB 0.689 30.097 29.460 -0.088 0.000 1.405 448 W HN 0.591 nan 8.180 nan 0.000 0.513 449 D N 1.114 121.596 120.400 0.137 0.000 2.472 449 D HA -0.018 4.621 4.640 -0.001 0.000 0.237 449 D C 1.442 177.745 176.300 0.005 0.000 1.141 449 D CA 0.945 54.984 54.000 0.066 0.000 0.875 449 D CB 1.620 42.480 40.800 0.100 0.000 1.192 449 D HN 0.702 nan 8.370 nan 0.000 0.450 450 G N 3.448 112.260 108.800 0.019 0.000 2.475 450 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.220 450 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.220 450 G C 1.610 176.490 174.900 -0.034 0.000 1.125 450 G CA 0.442 45.542 45.100 -0.000 0.000 0.755 450 G HN 0.566 nan 8.290 nan 0.000 0.565 451 M N 0.672 120.260 119.600 -0.019 0.000 2.358 451 M HA -0.015 4.465 4.480 -0.001 0.000 0.264 451 M C 2.827 179.047 176.300 -0.132 0.000 1.064 451 M CA 1.069 56.377 55.300 0.014 0.000 1.093 451 M CB -0.082 32.619 32.600 0.168 0.000 1.401 451 M HN 0.347 nan 8.290 nan 0.000 0.440 452 A N -0.070 122.450 122.820 -0.500 0.000 2.119 452 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 452 A C 1.177 178.559 177.584 -0.336 0.000 1.152 452 A CA 0.476 52.004 52.037 -0.847 0.000 0.708 452 A CB -0.290 18.056 19.000 -1.091 0.000 0.805 452 A HN 0.573 nan 8.150 nan 0.000 0.460 453 R N -1.725 118.655 120.500 -0.199 0.000 3.641 453 R HA -0.179 4.160 4.340 -0.001 0.000 0.286 453 R C 0.675 176.872 176.300 -0.171 0.000 1.153 453 R CA 0.730 56.755 56.100 -0.125 0.000 0.775 453 R CB -2.094 28.166 30.300 -0.066 0.000 1.215 453 R HN 0.483 nan 8.270 nan 0.000 0.474 454 I N 0.462 120.879 120.570 -0.255 0.000 2.163 454 I HA -0.182 3.988 4.170 -0.001 0.000 0.240 454 I C 2.133 178.129 176.117 -0.203 0.000 1.081 454 I CA 1.645 62.743 61.300 -0.336 0.000 1.353 454 I CB -0.699 36.933 38.000 -0.612 0.000 1.054 454 I HN 0.192 nan 8.210 nan 0.000 0.407 455 E N 0.790 120.910 120.200 -0.133 0.000 2.085 455 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 455 E C 2.091 178.648 176.600 -0.072 0.000 0.994 455 E CA 1.294 57.644 56.400 -0.082 0.000 0.801 455 E CB -0.252 29.424 29.700 -0.040 0.000 0.743 455 E HN 0.477 nan 8.360 nan 0.000 0.453 456 E N 0.357 120.518 120.200 -0.065 0.000 2.058 456 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 456 E C 1.943 178.506 176.600 -0.062 0.000 0.997 456 E CA 1.108 57.479 56.400 -0.049 0.000 0.801 456 E CB 0.096 29.774 29.700 -0.038 0.000 0.746 456 E HN -0.027 nan 8.360 nan 0.000 0.450 457 R N 0.263 120.715 120.500 -0.080 0.000 2.092 457 R HA 0.005 4.344 4.340 -0.001 0.000 0.231 457 R C 2.388 178.638 176.300 -0.084 0.000 1.119 457 R CA 0.862 56.916 56.100 -0.077 0.000 0.970 457 R CB -0.480 29.768 30.300 -0.088 0.000 0.864 457 R HN 0.273 nan 8.270 nan 0.000 0.440 458 L N -0.055 121.108 121.223 -0.101 0.000 2.056 458 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 458 L C 2.381 179.191 176.870 -0.099 0.000 1.078 458 L CA 1.541 56.321 54.840 -0.100 0.000 0.749 458 L CB -0.433 41.561 42.059 -0.109 0.000 0.901 458 L HN 0.303 nan 8.230 nan 0.000 0.433 459 E N 0.116 120.260 120.200 -0.092 0.000 2.077 459 E HA -0.304 4.045 4.350 -0.001 0.000 0.193 459 E C 2.211 178.735 176.600 -0.127 0.000 0.989 459 E CA 1.335 57.671 56.400 -0.107 0.000 0.800 459 E CB -0.021 29.636 29.700 -0.071 0.000 0.746 459 E HN 0.422 nan 8.360 nan 0.000 0.452 460 Q N 0.080 119.825 119.800 -0.091 0.000 2.030 460 Q HA -0.239 4.101 4.340 -0.001 0.000 0.204 460 Q C 2.107 178.051 176.000 -0.092 0.000 0.986 460 Q CA 1.839 57.593 55.803 -0.081 0.000 0.843 460 Q CB -0.269 28.437 28.738 -0.053 0.000 0.904 460 Q HN 0.358 nan 8.270 nan 0.000 0.420 461 A N 1.028 123.796 122.820 -0.086 0.000 1.877 461 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 461 A C 2.098 179.616 177.584 -0.110 0.000 1.186 461 A CA 1.508 53.495 52.037 -0.083 0.000 0.620 461 A CB -0.542 18.418 19.000 -0.067 0.000 0.822 461 A HN 0.390 nan 8.150 nan 0.000 0.443 462 R N -0.779 119.637 120.500 -0.139 0.000 2.081 462 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 462 R C 2.447 178.592 176.300 -0.258 0.000 1.131 462 R CA 1.619 57.612 56.100 -0.178 0.000 0.960 462 R CB -0.284 29.902 30.300 -0.191 0.000 0.856 462 R HN 0.499 nan 8.270 nan 0.000 0.436 463 R N 0.233 120.543 120.500 -0.316 0.000 2.090 463 R HA -0.068 4.271 4.340 -0.001 0.000 0.228 463 R C 2.084 178.295 176.300 -0.150 0.000 1.110 463 R CA 0.903 56.735 56.100 -0.447 0.000 0.973 463 R CB 0.009 30.052 30.300 -0.429 0.000 0.869 463 R HN 0.184 nan 8.270 nan 0.000 0.440 464 E N 0.849 121.003 120.200 -0.077 0.000 2.072 464 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 464 E C 1.976 178.594 176.600 0.029 0.000 0.985 464 E CA 0.755 57.156 56.400 0.003 0.000 0.801 464 E CB -0.256 29.436 29.700 -0.013 0.000 0.750 464 E HN 0.141 nan 8.360 nan 0.000 0.452 465 L N 1.255 122.464 121.223 -0.023 0.000 2.046 465 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 465 L C 2.161 179.064 176.870 0.056 0.000 1.077 465 L CA 1.600 56.444 54.840 0.006 0.000 0.747 465 L CB -0.621 41.409 42.059 -0.049 0.000 0.896 465 L HN -0.088 nan 8.230 nan 0.000 0.432 466 S N -0.464 115.235 115.700 -0.001 0.000 2.368 466 S HA -0.185 4.285 4.470 -0.001 0.000 0.225 466 S C 1.854 176.586 174.600 0.219 0.000 1.030 466 S CA 1.553 59.786 58.200 0.056 0.000 0.999 466 S CB -0.574 62.557 63.200 -0.114 0.000 0.844 466 S HN 0.452 nan 8.310 nan 0.000 0.459 467 L N 0.617 122.011 121.223 0.285 0.000 2.079 467 L HA -0.034 4.306 4.340 -0.001 0.000 0.210 467 L C 1.890 178.863 176.870 0.172 0.000 1.081 467 L CA 1.587 56.599 54.840 0.286 0.000 0.752 467 L CB -0.551 41.652 42.059 0.240 0.000 0.896 467 L HN 0.284 nan 8.230 nan 0.000 0.433 468 F N -0.344 119.572 119.950 -0.057 0.000 2.451 468 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 468 F C 2.194 177.911 175.800 -0.139 0.000 1.101 468 F CA 0.840 58.699 58.000 -0.236 0.000 1.436 468 F CB -0.213 38.680 39.000 -0.180 0.000 1.074 468 F HN 0.239 nan 8.300 nan 0.000 0.553 469 Q N -0.320 119.444 119.800 -0.060 0.000 2.437 469 Q HA -0.156 4.184 4.340 -0.001 0.000 0.210 469 Q C 0.752 176.692 176.000 -0.100 0.000 0.972 469 Q CA 0.451 56.196 55.803 -0.096 0.000 0.903 469 Q CB -1.285 27.464 28.738 0.018 0.000 0.967 469 Q HN 0.559 nan 8.270 nan 0.000 0.486 470 H N 1.932 120.888 119.070 -0.189 0.000 3.073 470 H HA -0.107 4.449 4.556 -0.001 0.000 0.340 470 H C 1.136 176.312 175.328 -0.254 0.000 1.054 470 H CA 0.467 56.401 56.048 -0.190 0.000 1.372 470 H CB 0.681 30.346 29.762 -0.161 0.000 1.314 470 H HN 0.344 nan 8.280 nan 0.000 0.603 471 H N 2.918 121.573 119.070 -0.692 0.000 2.563 471 H HA -0.039 4.517 4.556 -0.001 0.000 0.272 471 H C -0.240 174.662 175.328 -0.710 0.000 1.005 471 H CA 0.491 56.093 56.048 -0.743 0.000 1.171 471 H CB 0.281 29.596 29.762 -0.744 0.000 1.351 471 H HN 0.586 nan 8.280 nan 0.000 0.602 472 D N 0.353 120.072 120.400 -1.135 0.000 2.469 472 D HA 0.131 4.770 4.640 -0.001 0.000 0.215 472 D C 1.623 177.902 176.300 -0.036 0.000 1.154 472 D CA 0.327 54.176 54.000 -0.251 0.000 0.832 472 D CB 0.821 41.703 40.800 0.136 0.000 1.008 472 D HN 0.524 nan 8.370 nan 0.000 0.506 473 G N 1.265 109.839 108.800 -0.376 0.000 2.618 473 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.222 473 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.222 473 G C 1.360 175.668 174.900 -0.987 0.000 1.520 473 G CA -0.211 44.419 45.100 -0.783 0.000 0.930 473 G HN 0.198 nan 8.290 nan 0.000 0.547 474 I N 1.962 121.672 120.570 -1.432 0.000 2.399 474 I HA -0.202 3.967 4.170 -0.001 0.000 0.254 474 I C 2.894 178.903 176.117 -0.181 0.000 1.146 474 I CA 2.118 62.875 61.300 -0.905 0.000 1.412 474 I CB -0.041 37.617 38.000 -0.570 0.000 1.076 474 I HN 0.385 nan 8.210 nan 0.000 0.432 475 T N -1.689 112.811 114.554 -0.090 0.000 3.007 475 T HA 0.026 4.375 4.350 -0.001 0.000 0.270 475 T C 1.547 176.385 174.700 0.229 0.000 1.107 475 T CA 0.636 62.873 62.100 0.228 0.000 1.118 475 T CB -0.523 68.482 68.868 0.229 0.000 0.889 475 T HN 0.651 nan 8.240 nan 0.000 0.506 476 G N 1.460 110.347 108.800 0.145 0.000 2.176 476 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.252 476 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.252 476 G C 0.555 175.523 174.900 0.112 0.000 1.024 476 G CA 0.641 45.849 45.100 0.179 0.000 0.755 476 G HN 1.143 nan 8.290 nan 0.000 0.507 477 T N -3.319 111.295 114.554 0.099 0.000 3.215 477 T HA 0.736 5.086 4.350 -0.001 0.000 0.271 477 T C 0.853 175.749 174.700 0.326 0.000 1.012 477 T CA 1.012 63.107 62.100 -0.009 0.000 0.899 477 T CB 0.979 69.647 68.868 -0.332 0.000 1.089 477 T HN 1.563 nan 8.240 nan 0.000 0.552 478 A N 1.307 124.326 122.820 0.330 0.000 2.281 478 A HA 0.681 5.001 4.320 -0.001 0.000 0.329 478 A C 0.186 177.853 177.584 0.138 0.000 1.122 478 A CA -0.968 51.285 52.037 0.359 0.000 0.850 478 A CB 0.872 20.133 19.000 0.435 0.000 1.207 478 A HN 0.395 nan 8.150 nan 0.000 0.495 479 K N -0.024 120.385 120.400 0.015 0.000 2.380 479 K HA 0.118 4.438 4.320 -0.001 0.000 0.267 479 K C 1.040 177.646 176.600 0.010 0.000 0.990 479 K CA 0.367 56.653 56.287 -0.002 0.000 0.946 479 K CB 0.334 32.833 32.500 -0.002 0.000 0.937 479 K HN 0.738 nan 8.250 nan 0.000 0.491 480 T N 1.435 116.027 114.554 0.062 0.000 2.665 480 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 480 T C 1.689 176.422 174.700 0.055 0.000 1.035 480 T CA 1.840 63.980 62.100 0.066 0.000 1.151 480 T CB -0.409 68.506 68.868 0.078 0.000 0.862 480 T HN 0.689 nan 8.240 nan 0.000 0.438 481 H N 0.582 119.645 119.070 -0.011 0.000 2.491 481 H HA 0.079 4.635 4.556 -0.001 0.000 0.290 481 H C 2.016 177.318 175.328 -0.043 0.000 1.050 481 H CA 0.930 56.965 56.048 -0.022 0.000 1.309 481 H CB -0.783 28.961 29.762 -0.029 0.000 1.392 481 H HN 0.281 nan 8.280 nan 0.000 0.554 482 V N 1.140 120.696 119.914 -0.596 0.000 2.407 482 V HA -0.161 3.959 4.120 -0.001 0.000 0.245 482 V C 3.048 178.966 176.094 -0.293 0.000 1.041 482 V CA 1.067 63.058 62.300 -0.514 0.000 1.040 482 V CB -0.441 31.128 31.823 -0.423 0.000 0.671 482 V HN 0.232 nan 8.190 nan 0.000 0.455 483 V N 0.095 119.966 119.914 -0.072 0.000 2.332 483 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 483 V C 2.460 178.537 176.094 -0.027 0.000 1.055 483 V CA 2.019 64.331 62.300 0.021 0.000 1.038 483 V CB -0.562 31.229 31.823 -0.053 0.000 0.651 483 V HN 0.420 nan 8.190 nan 0.000 0.450 484 V N 0.337 120.240 119.914 -0.017 0.000 2.343 484 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 484 V C 2.298 178.408 176.094 0.026 0.000 1.051 484 V CA 2.391 64.712 62.300 0.035 0.000 1.036 484 V CB -0.683 31.168 31.823 0.048 0.000 0.654 484 V HN 0.643 nan 8.190 nan 0.000 0.451 485 D N -0.879 119.491 120.400 -0.049 0.000 2.097 485 D HA -0.210 4.430 4.640 -0.001 0.000 0.195 485 D C 2.010 178.314 176.300 0.007 0.000 0.989 485 D CA 1.687 55.652 54.000 -0.059 0.000 0.827 485 D CB -0.259 40.448 40.800 -0.155 0.000 0.966 485 D HN 0.590 nan 8.370 nan 0.000 0.456 486 Y N 0.446 120.781 120.300 0.059 0.000 2.224 486 Y HA -0.140 4.409 4.550 -0.001 0.000 0.289 486 Y C 2.573 178.443 175.900 -0.050 0.000 1.146 486 Y CA 1.147 59.276 58.100 0.049 0.000 1.182 486 Y CB -0.132 38.430 38.460 0.169 0.000 0.983 486 Y HN 0.093 nan 8.280 nan 0.000 0.524 487 E N 0.513 120.810 120.200 0.162 0.000 2.051 487 E HA -0.267 4.082 4.350 -0.001 0.000 0.192 487 E C 2.004 178.676 176.600 0.120 0.000 0.991 487 E CA 1.378 57.886 56.400 0.180 0.000 0.799 487 E CB -0.058 29.836 29.700 0.323 0.000 0.748 487 E HN 0.566 nan 8.360 nan 0.000 0.449 488 Q N -0.016 119.842 119.800 0.098 0.000 2.096 488 Q HA -0.180 4.160 4.340 -0.001 0.000 0.204 488 Q C 2.342 178.373 176.000 0.052 0.000 0.982 488 Q CA 1.534 57.379 55.803 0.070 0.000 0.850 488 Q CB -0.105 28.667 28.738 0.055 0.000 0.901 488 Q HN 0.195 nan 8.270 nan 0.000 0.422 489 R N 0.038 120.572 120.500 0.057 0.000 2.073 489 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 489 R C 2.291 178.596 176.300 0.009 0.000 1.134 489 R CA 1.520 57.645 56.100 0.042 0.000 0.952 489 R CB -0.187 30.160 30.300 0.080 0.000 0.850 489 R HN 0.303 nan 8.270 nan 0.000 0.433 490 M N 0.209 119.799 119.600 -0.015 0.000 2.175 490 M HA -0.165 4.314 4.480 -0.001 0.000 0.264 490 M C 2.190 178.459 176.300 -0.053 0.000 1.063 490 M CA 1.342 56.593 55.300 -0.082 0.000 1.119 490 M CB -0.155 32.329 32.600 -0.193 0.000 1.377 490 M HN 0.112 nan 8.290 nan 0.000 0.415 491 Q N 0.621 120.428 119.800 0.011 0.000 2.084 491 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 491 Q C 1.743 177.755 176.000 0.020 0.000 0.978 491 Q CA 1.677 57.504 55.803 0.040 0.000 0.844 491 Q CB -0.368 28.417 28.738 0.077 0.000 0.898 491 Q HN 0.623 nan 8.270 nan 0.000 0.426 492 E N 0.499 120.707 120.200 0.015 0.000 2.077 492 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 492 E C 1.926 178.524 176.600 -0.005 0.000 0.989 492 E CA 1.049 57.454 56.400 0.008 0.000 0.800 492 E CB -0.123 29.581 29.700 0.008 0.000 0.746 492 E HN 0.342 nan 8.360 nan 0.000 0.452 493 A N 0.958 123.764 122.820 -0.022 0.000 1.902 493 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 493 A C 2.159 179.728 177.584 -0.025 0.000 1.181 493 A CA 1.012 53.028 52.037 -0.037 0.000 0.623 493 A CB -0.561 18.403 19.000 -0.061 0.000 0.818 493 A HN 0.198 nan 8.150 nan 0.000 0.443 494 L N -0.190 121.006 121.223 -0.045 0.000 2.042 494 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 494 L C 2.371 179.292 176.870 0.085 0.000 1.076 494 L CA 2.139 56.962 54.840 -0.029 0.000 0.749 494 L CB -0.324 41.663 42.059 -0.119 0.000 0.893 494 L HN 0.334 nan 8.230 nan 0.000 0.432 495 K N -1.092 119.339 120.400 0.053 0.000 2.097 495 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 495 K C 2.085 178.710 176.600 0.043 0.000 1.050 495 K CA 1.182 57.503 56.287 0.056 0.000 0.938 495 K CB -0.339 32.181 32.500 0.034 0.000 0.718 495 K HN 0.434 nan 8.250 nan 0.000 0.442 496 A N 1.108 123.941 122.820 0.021 0.000 1.902 496 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 496 A C 2.421 180.008 177.584 0.004 0.000 1.181 496 A CA 1.566 53.603 52.037 -0.001 0.000 0.623 496 A CB -1.009 17.978 19.000 -0.021 0.000 0.818 496 A HN 0.415 nan 8.150 nan 0.000 0.443 497 C N -0.891 118.432 119.300 0.038 0.000 2.429 497 C HA -0.124 4.335 4.460 -0.001 0.000 0.277 497 C C 2.900 177.925 174.990 0.059 0.000 1.262 497 C CA 1.144 60.192 59.018 0.051 0.000 1.733 497 C CB -1.457 26.365 27.740 0.136 0.000 2.010 497 C HN 0.677 nan 8.230 nan 0.000 0.483 498 Q N -0.128 119.738 119.800 0.109 0.000 2.084 498 Q HA -0.262 4.077 4.340 -0.001 0.000 0.202 498 Q C 2.199 178.254 176.000 0.092 0.000 0.978 498 Q CA 1.755 57.617 55.803 0.099 0.000 0.844 498 Q CB -0.345 28.466 28.738 0.122 0.000 0.898 498 Q HN 0.623 nan 8.270 nan 0.000 0.426 499 M N 0.293 119.925 119.600 0.053 0.000 2.086 499 M HA -0.135 4.344 4.480 -0.001 0.000 0.261 499 M C 1.915 178.223 176.300 0.014 0.000 1.067 499 M CA 1.539 56.861 55.300 0.036 0.000 1.116 499 M CB -0.338 32.266 32.600 0.006 0.000 1.348 499 M HN 0.001 nan 8.290 nan 0.000 0.407 500 V N 0.163 120.051 119.914 -0.044 0.000 2.358 500 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 500 V C 2.424 178.469 176.094 -0.082 0.000 1.047 500 V CA 2.121 64.338 62.300 -0.139 0.000 1.035 500 V CB -0.685 31.033 31.823 -0.174 0.000 0.658 500 V HN 0.546 nan 8.190 nan 0.000 0.452 501 M N 0.314 119.914 119.600 -0.001 0.000 2.080 501 M HA -0.275 4.204 4.480 -0.001 0.000 0.260 501 M C 2.379 178.698 176.300 0.032 0.000 1.068 501 M CA 2.481 57.808 55.300 0.045 0.000 1.109 501 M CB -0.491 32.223 32.600 0.190 0.000 1.342 501 M HN 0.548 nan 8.290 nan 0.000 0.405 502 Q N -0.240 119.665 119.800 0.175 0.000 2.123 502 Q HA -0.126 4.213 4.340 -0.001 0.000 0.199 502 Q C 1.811 177.975 176.000 0.274 0.000 0.966 502 Q CA 1.147 57.080 55.803 0.215 0.000 0.845 502 Q CB -0.620 28.358 28.738 0.400 0.000 0.907 502 Q HN 0.420 nan 8.270 nan 0.000 0.439 503 Q N 0.578 120.528 119.800 0.250 0.000 2.124 503 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 503 Q C 2.265 178.514 176.000 0.416 0.000 0.977 503 Q CA 1.726 57.753 55.803 0.372 0.000 0.850 503 Q CB -0.209 28.666 28.738 0.228 0.000 0.901 503 Q HN 0.513 nan 8.270 nan 0.000 0.429 504 S N 0.372 116.204 115.700 0.220 0.000 2.368 504 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 504 S C 2.219 176.868 174.600 0.081 0.000 1.029 504 S CA 1.006 59.384 58.200 0.296 0.000 0.988 504 S CB -0.213 63.085 63.200 0.164 0.000 0.838 504 S HN 0.129 nan 8.310 nan 0.000 0.462 505 V N 0.732 120.562 119.914 -0.140 0.000 2.332 505 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 505 V C 1.996 178.081 176.094 -0.016 0.000 1.055 505 V CA 1.804 63.902 62.300 -0.337 0.000 1.038 505 V CB -0.748 30.466 31.823 -1.016 0.000 0.651 505 V HN 0.515 nan 8.190 nan 0.000 0.450 506 Y N 1.072 121.432 120.300 0.101 0.000 2.181 506 Y HA -0.232 4.318 4.550 -0.001 0.000 0.288 506 Y C 2.755 178.728 175.900 0.121 0.000 1.146 506 Y CA 2.174 60.417 58.100 0.239 0.000 1.164 506 Y CB -0.294 38.230 38.460 0.106 0.000 0.982 506 Y HN 0.092 nan 8.280 nan 0.000 0.515 507 R N -0.261 120.223 120.500 -0.027 0.000 2.092 507 R HA -0.098 4.241 4.340 -0.001 0.000 0.231 507 R C 2.108 178.125 176.300 -0.473 0.000 1.119 507 R CA 1.501 57.231 56.100 -0.616 0.000 0.970 507 R CB -0.358 29.567 30.300 -0.625 0.000 0.864 507 R HN 0.418 nan 8.270 nan 0.000 0.440 508 L N 0.232 121.306 121.223 -0.247 0.000 2.291 508 L HA -0.059 4.280 4.340 -0.001 0.000 0.214 508 L C 1.413 178.163 176.870 -0.201 0.000 1.120 508 L CA 0.785 55.434 54.840 -0.320 0.000 0.799 508 L CB 0.123 41.813 42.059 -0.616 0.000 0.925 508 L HN 0.232 nan 8.230 nan 0.000 0.446 509 L N -1.332 119.864 121.223 -0.046 0.000 3.014 509 L HA 0.222 4.561 4.340 -0.001 0.000 0.263 509 L C -0.195 176.721 176.870 0.077 0.000 1.207 509 L CA -0.108 54.787 54.840 0.091 0.000 1.017 509 L CB 0.557 42.817 42.059 0.336 0.000 1.360 509 L HN -0.008 nan 8.230 nan 0.000 0.560 510 T N 0.128 114.648 114.554 -0.056 0.000 2.829 510 T HA 0.185 4.534 4.350 -0.001 0.000 0.280 510 T C -0.114 174.498 174.700 -0.147 0.000 0.999 510 T CA -0.557 61.480 62.100 -0.106 0.000 0.983 510 T CB 2.335 71.080 68.868 -0.205 0.000 0.968 510 T HN 0.012 nan 8.240 nan 0.000 0.446 511 K N 3.915 124.240 120.400 -0.125 0.000 2.504 511 K HA -0.014 4.305 4.320 -0.001 0.000 0.278 511 K C -1.700 174.862 176.600 -0.062 0.000 1.025 511 K CA -1.088 55.143 56.287 -0.095 0.000 1.093 511 K CB 0.431 32.880 32.500 -0.085 0.000 0.873 511 K HN 0.178 nan 8.250 nan 0.000 0.483 512 P HA -0.211 nan 4.420 nan 0.000 0.216 512 P C 0.815 178.126 177.300 0.018 0.000 1.153 512 P CA 1.525 64.600 63.100 -0.041 0.000 0.858 512 P CB 0.135 31.805 31.700 -0.051 0.000 0.789 513 S N -2.171 113.529 115.700 0.000 0.000 2.561 513 S HA 0.032 4.501 4.470 -0.001 0.000 0.225 513 S C 1.688 176.295 174.600 0.011 0.000 0.977 513 S CA 0.566 58.770 58.200 0.006 0.000 0.926 513 S CB -1.142 62.054 63.200 -0.007 0.000 0.769 513 S HN 0.110 nan 8.310 nan 0.000 0.533 514 I N -0.851 119.730 120.570 0.018 0.000 3.339 514 I HA 0.203 4.372 4.170 -0.001 0.000 0.285 514 I C 0.618 176.764 176.117 0.048 0.000 1.201 514 I CA -0.385 60.928 61.300 0.022 0.000 1.434 514 I CB -0.091 37.913 38.000 0.007 0.000 1.152 514 I HN 0.246 nan 8.210 nan 0.000 0.443 515 Y N 2.846 123.088 120.300 -0.097 0.000 2.802 515 Y HA -0.056 4.494 4.550 -0.001 0.000 0.333 515 Y C 0.451 176.318 175.900 -0.055 0.000 1.244 515 Y CA 0.055 58.073 58.100 -0.136 0.000 1.558 515 Y CB 0.369 38.712 38.460 -0.194 0.000 1.233 515 Y HN -0.115 nan 8.280 nan 0.000 0.547 516 S N 8.715 124.176 115.700 -0.397 0.000 2.293 516 S HA 0.357 4.826 4.470 -0.001 0.000 0.154 516 S C -2.858 171.519 174.600 -0.370 0.000 1.602 516 S CA -1.180 56.807 58.200 -0.355 0.000 1.260 516 S CB -0.090 63.031 63.200 -0.133 0.000 1.270 516 S HN 0.645 nan 8.310 nan 0.000 0.416 517 P HA 0.337 nan 4.420 nan 0.000 0.280 517 P C -1.122 175.903 177.300 -0.458 0.000 1.244 517 P CA -0.208 62.621 63.100 -0.451 0.000 0.784 517 P CB 0.838 32.188 31.700 -0.583 0.000 0.913 518 D N 2.294 122.629 120.400 -0.108 0.000 2.373 518 D HA 0.145 4.784 4.640 -0.001 0.000 0.227 518 D C 0.175 176.494 176.300 0.031 0.000 1.091 518 D CA -0.657 53.261 54.000 -0.136 0.000 0.840 518 D CB 0.237 40.981 40.800 -0.094 0.000 1.060 518 D HN 0.058 nan 8.370 nan 0.000 0.502 519 F N 1.628 121.682 119.950 0.174 0.000 2.771 519 F HA -0.033 4.493 4.527 -0.001 0.000 0.299 519 F C 2.411 178.278 175.800 0.113 0.000 1.177 519 F CA 0.434 58.538 58.000 0.174 0.000 1.450 519 F CB -0.340 38.748 39.000 0.146 0.000 1.114 519 F HN 0.373 nan 8.300 nan 0.000 0.587 520 S N -1.684 114.152 115.700 0.225 0.000 2.524 520 S HA 0.107 4.576 4.470 -0.001 0.000 0.215 520 S C 0.332 174.972 174.600 0.067 0.000 0.986 520 S CA -0.397 57.879 58.200 0.127 0.000 0.911 520 S CB -0.633 62.623 63.200 0.094 0.000 0.805 520 S HN 0.098 nan 8.310 nan 0.000 0.501 521 F N 2.796 122.667 119.950 -0.132 0.000 2.379 521 F HA 0.597 5.123 4.527 -0.001 0.000 0.332 521 F C -0.023 175.536 175.800 -0.403 0.000 1.096 521 F CA -0.670 57.116 58.000 -0.357 0.000 1.105 521 F CB 1.591 40.212 39.000 -0.631 0.000 1.189 521 F HN -0.059 nan 8.300 nan 0.000 0.515 522 S N 6.001 120.985 115.700 -1.193 0.000 2.464 522 S HA 0.150 4.619 4.470 -0.001 0.000 0.313 522 S C 0.444 174.401 174.600 -1.072 0.000 1.078 522 S CA -0.332 57.376 58.200 -0.821 0.000 1.096 522 S CB -0.221 62.643 63.200 -0.561 0.000 1.032 522 S HN 0.687 nan 8.310 nan 0.000 0.498 523 Y N 1.668 121.698 120.300 -0.451 0.000 2.293 523 Y HA 0.094 4.643 4.550 -0.001 0.000 0.291 523 Y C 0.362 175.684 175.900 -0.962 0.000 1.137 523 Y CA 0.832 58.536 58.100 -0.660 0.000 1.202 523 Y CB 0.147 38.200 38.460 -0.678 0.000 0.990 523 Y HN 0.489 nan 8.280 nan 0.000 0.537 524 F N -1.228 118.662 119.950 -0.100 0.000 2.588 524 F HA 0.418 4.944 4.527 -0.001 0.000 0.314 524 F C -0.061 175.755 175.800 0.027 0.000 1.069 524 F CA -1.536 56.475 58.000 0.018 0.000 0.931 524 F CB 1.580 40.732 39.000 0.253 0.000 1.260 524 F HN -0.410 nan 8.300 nan 0.000 0.465 525 T N 0.464 115.158 114.554 0.233 0.000 2.824 525 T HA 0.660 5.009 4.350 -0.001 0.000 0.280 525 T C -0.526 174.272 174.700 0.164 0.000 0.995 525 T CA -0.790 61.396 62.100 0.143 0.000 1.009 525 T CB 1.067 69.968 68.868 0.055 0.000 0.955 525 T HN 0.519 nan 8.240 nan 0.000 0.452 526 L N 2.265 123.515 121.223 0.044 0.000 2.426 526 L HA 0.345 4.685 4.340 -0.001 0.000 0.271 526 L C 0.151 176.990 176.870 -0.051 0.000 1.169 526 L CA -0.167 54.587 54.840 -0.143 0.000 0.836 526 L CB 0.634 42.571 42.059 -0.203 0.000 1.112 526 L HN 0.816 nan 8.230 nan 0.000 0.465 527 D N 1.961 122.306 120.400 -0.091 0.000 2.425 527 D HA 0.196 4.835 4.640 -0.001 0.000 0.240 527 D C -1.161 175.053 176.300 -0.145 0.000 1.080 527 D CA -0.384 53.571 54.000 -0.076 0.000 0.836 527 D CB 1.034 41.821 40.800 -0.022 0.000 1.125 527 D HN 0.268 nan 8.370 nan 0.000 0.525 528 D N 2.417 122.764 120.400 -0.089 0.000 2.481 528 D HA 0.194 4.833 4.640 -0.001 0.000 0.246 528 D C 0.212 176.456 176.300 -0.094 0.000 1.109 528 D CA -0.436 53.537 54.000 -0.044 0.000 0.845 528 D CB 1.854 42.736 40.800 0.137 0.000 1.160 528 D HN 0.252 nan 8.370 nan 0.000 0.534 529 S N 2.757 118.372 115.700 -0.142 0.000 2.453 529 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 529 S C 1.367 175.922 174.600 -0.074 0.000 1.005 529 S CA 0.664 58.770 58.200 -0.156 0.000 0.949 529 S CB 0.350 63.445 63.200 -0.176 0.000 0.774 529 S HN 0.501 nan 8.310 nan 0.000 0.510 530 R N -0.588 119.903 120.500 -0.015 0.000 2.565 530 R HA 0.229 4.569 4.340 -0.001 0.000 0.347 530 R C -0.696 175.684 176.300 0.134 0.000 1.010 530 R CA -0.120 55.997 56.100 0.028 0.000 1.126 530 R CB 0.718 31.029 30.300 0.018 0.000 1.331 530 R HN 0.346 nan 8.270 nan 0.000 0.552 531 W N 2.142 123.390 121.300 -0.086 0.000 3.405 531 W HA 0.248 4.908 4.660 -0.001 0.000 0.329 531 W C -2.627 173.844 176.519 -0.079 0.000 1.142 531 W CA -1.953 55.327 57.345 -0.109 0.000 1.235 531 W CB 1.732 31.104 29.460 -0.145 0.000 1.341 531 W HN -0.188 nan 8.180 nan 0.000 0.481 532 P HA 0.074 nan 4.420 nan 0.000 0.223 532 P C 0.666 177.608 177.300 -0.598 0.000 1.151 532 P CA 1.676 63.901 63.100 -1.459 0.000 0.787 532 P CB 0.731 31.822 31.700 -1.016 0.000 0.788 533 G N -0.570 108.044 108.800 -0.310 0.000 2.539 533 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.686 533 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.686 533 G C -0.737 174.106 174.900 -0.095 0.000 1.258 533 G CA -0.405 44.608 45.100 -0.145 0.000 0.846 533 G HN 0.170 nan 8.290 nan 0.000 0.647 534 S N 0.139 115.822 115.700 -0.028 0.000 2.544 534 S HA 0.497 4.967 4.470 -0.001 0.000 0.290 534 S C 1.808 176.409 174.600 0.002 0.000 1.276 534 S CA 2.079 60.293 58.200 0.024 0.000 1.075 534 S CB 0.078 63.328 63.200 0.084 0.000 0.849 534 S HN 2.667 nan 8.310 nan 0.000 0.494 535 G N 2.883 111.683 108.800 0.001 0.000 2.176 535 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.253 535 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.253 535 G C 0.592 175.468 174.900 -0.040 0.000 0.979 535 G CA 0.342 45.434 45.100 -0.013 0.000 0.641 535 G HN 0.809 nan 8.290 nan 0.000 0.530 536 V N -0.464 119.408 119.914 -0.070 0.000 2.743 536 V HA 0.443 4.562 4.120 -0.001 0.000 0.237 536 V C 0.829 176.858 176.094 -0.108 0.000 1.113 536 V CA 1.734 63.974 62.300 -0.099 0.000 1.141 536 V CB 0.902 32.634 31.823 -0.153 0.000 0.873 536 V HN 0.477 nan 8.190 nan 0.000 0.486 537 E N 0.075 120.203 120.200 -0.121 0.000 2.321 537 E HA 0.189 4.538 4.350 -0.001 0.000 0.278 537 E C -1.720 174.845 176.600 -0.057 0.000 0.902 537 E CA -0.545 55.797 56.400 -0.097 0.000 0.758 537 E CB 1.921 31.536 29.700 -0.142 0.000 1.213 537 E HN 0.146 nan 8.360 nan 0.000 0.426 538 D N 2.533 122.922 120.400 -0.020 0.000 2.517 538 D HA 0.078 4.718 4.640 -0.001 0.000 0.220 538 D C 0.459 176.767 176.300 0.014 0.000 1.158 538 D CA 0.237 54.248 54.000 0.019 0.000 0.992 538 D CB 0.366 41.183 40.800 0.029 0.000 1.058 538 D HN 0.399 nan 8.370 nan 0.000 0.516 539 S N 2.308 118.007 115.700 -0.001 0.000 2.506 539 S HA 0.084 4.553 4.470 -0.001 0.000 0.219 539 S C 0.931 175.535 174.600 0.006 0.000 1.031 539 S CA -0.496 57.697 58.200 -0.013 0.000 0.911 539 S CB 0.301 63.469 63.200 -0.054 0.000 0.812 539 S HN 0.372 nan 8.310 nan 0.000 0.497 540 R N 2.450 122.956 120.500 0.009 0.000 2.539 540 R HA 0.416 4.756 4.340 -0.001 0.000 0.275 540 R C -0.216 176.131 176.300 0.079 0.000 1.077 540 R CA -0.036 56.058 56.100 -0.011 0.000 1.097 540 R CB -0.325 29.859 30.300 -0.194 0.000 1.018 540 R HN 0.264 nan 8.270 nan 0.000 0.483 541 T N -0.865 113.734 114.554 0.075 0.000 2.856 541 T HA 0.172 4.521 4.350 -0.001 0.000 0.292 541 T C 0.142 174.949 174.700 0.179 0.000 0.980 541 T CA -0.689 61.477 62.100 0.111 0.000 1.091 541 T CB 1.295 70.213 68.868 0.084 0.000 0.936 541 T HN 0.488 nan 8.240 nan 0.000 0.503 542 T N 4.144 118.812 114.554 0.190 0.000 2.832 542 T HA 0.330 4.679 4.350 -0.001 0.000 0.296 542 T C 0.590 175.396 174.700 0.177 0.000 0.968 542 T CA -0.451 61.782 62.100 0.221 0.000 1.107 542 T CB 0.104 69.062 68.868 0.150 0.000 0.916 542 T HN 0.578 nan 8.240 nan 0.000 0.517 543 I N 4.400 125.093 120.570 0.206 0.000 2.421 543 I HA 0.119 4.288 4.170 -0.001 0.000 0.291 543 I C 0.144 176.347 176.117 0.144 0.000 1.089 543 I CA -0.264 61.136 61.300 0.167 0.000 1.354 543 I CB 0.282 38.382 38.000 0.167 0.000 1.413 543 I HN 0.358 nan 8.210 nan 0.000 0.513 544 I N 8.399 129.040 120.570 0.118 0.000 2.301 544 I HA 0.342 4.511 4.170 -0.001 0.000 0.292 544 I C 0.041 176.220 176.117 0.103 0.000 1.046 544 I CA -0.088 61.273 61.300 0.101 0.000 1.282 544 I CB 0.285 38.333 38.000 0.080 0.000 1.409 544 I HN 0.424 nan 8.210 nan 0.000 0.484 545 L N 5.283 126.570 121.223 0.107 0.000 2.323 545 L HA 0.984 5.323 4.340 -0.001 0.000 0.265 545 L C 0.199 177.126 176.870 0.096 0.000 1.012 545 L CA -0.638 54.265 54.840 0.104 0.000 0.820 545 L CB 2.462 44.589 42.059 0.113 0.000 1.334 545 L HN 0.698 nan 8.230 nan 0.000 0.427 546 G N 0.046 108.899 108.800 0.090 0.000 2.429 546 G HA2 0.170 4.130 3.960 -0.001 0.000 0.300 546 G HA3 0.170 4.130 3.960 -0.001 0.000 0.300 546 G C -0.308 174.636 174.900 0.073 0.000 1.598 546 G CA -0.544 44.605 45.100 0.083 0.000 0.863 546 G HN 0.656 nan 8.290 nan 0.000 0.614 547 E N -0.136 120.105 120.200 0.069 0.000 2.130 547 E HA -0.132 4.217 4.350 -0.001 0.000 0.196 547 E C 0.676 177.306 176.600 0.050 0.000 0.998 547 E CA 1.378 57.812 56.400 0.057 0.000 0.806 547 E CB 0.217 29.948 29.700 0.051 0.000 0.738 547 E HN 0.463 nan 8.360 nan 0.000 0.459 548 D N -0.793 119.637 120.400 0.049 0.000 2.388 548 D HA 0.112 4.752 4.640 -0.001 0.000 0.221 548 D C 0.892 177.218 176.300 0.045 0.000 1.133 548 D CA 0.153 54.179 54.000 0.042 0.000 0.831 548 D CB 0.894 41.717 40.800 0.037 0.000 0.962 548 D HN 0.148 nan 8.370 nan 0.000 0.502 549 I N -0.840 119.761 120.570 0.052 0.000 4.147 549 I HA 0.199 4.369 4.170 -0.001 0.000 0.278 549 I C -1.483 174.672 176.117 0.064 0.000 1.133 549 I CA 0.159 61.492 61.300 0.055 0.000 1.317 549 I CB 1.223 39.256 38.000 0.055 0.000 1.688 549 I HN -0.145 nan 8.210 nan 0.000 0.432 550 L N 1.758 123.025 121.223 0.073 0.000 2.795 550 L HA 0.498 4.838 4.340 -0.001 0.000 0.260 550 L C -2.487 174.437 176.870 0.090 0.000 0.935 550 L CA -0.811 54.080 54.840 0.086 0.000 0.985 550 L CB 1.668 43.785 42.059 0.097 0.000 1.433 550 L HN -0.124 nan 8.230 nan 0.000 0.447 551 P HA 0.075 nan 4.420 nan 0.000 0.224 551 P C -0.172 177.186 177.300 0.095 0.000 1.157 551 P CA 0.875 64.026 63.100 0.085 0.000 0.799 551 P CB 0.359 32.103 31.700 0.072 0.000 0.809 552 S N -2.252 113.516 115.700 0.114 0.000 2.596 552 S HA 0.729 5.199 4.470 -0.001 0.000 0.270 552 S C -1.287 173.420 174.600 0.179 0.000 1.155 552 S CA -0.721 57.554 58.200 0.126 0.000 0.827 552 S CB 2.471 65.739 63.200 0.113 0.000 1.130 552 S HN -0.127 nan 8.310 nan 0.000 0.467 553 K N 0.668 121.179 120.400 0.186 0.000 2.513 553 K HA 0.414 4.734 4.320 -0.001 0.000 0.251 553 K C -1.664 175.110 176.600 0.289 0.000 0.939 553 K CA -0.282 56.160 56.287 0.259 0.000 0.793 553 K CB 1.110 33.720 32.500 0.184 0.000 1.241 553 K HN 0.869 nan 8.250 nan 0.000 0.431 554 H N 2.268 121.488 119.070 0.251 0.000 2.610 554 H HA 0.412 4.967 4.556 -0.001 0.000 0.336 554 H C -0.117 175.443 175.328 0.385 0.000 1.087 554 H CA -0.495 55.747 56.048 0.324 0.000 1.405 554 H CB 1.268 31.309 29.762 0.465 0.000 1.460 554 H HN 0.455 nan 8.280 nan 0.000 0.538 555 V N 1.002 121.162 119.914 0.409 0.000 2.914 555 V HA 0.657 4.776 4.120 -0.001 0.000 0.314 555 V C -0.497 175.917 176.094 0.534 0.000 1.084 555 V CA -0.818 61.720 62.300 0.395 0.000 0.963 555 V CB 1.995 33.788 31.823 -0.049 0.000 1.025 555 V HN 0.413 nan 8.190 nan 0.000 0.432 556 V N 3.836 124.087 119.914 0.561 0.000 2.638 556 V HA 0.622 4.741 4.120 -0.001 0.000 0.306 556 V C -0.461 175.970 176.094 0.562 0.000 1.052 556 V CA -0.382 62.213 62.300 0.492 0.000 0.885 556 V CB 1.832 33.796 31.823 0.236 0.000 0.999 556 V HN 0.942 nan 8.190 nan 0.000 0.424 557 M N 4.070 123.973 119.600 0.505 0.000 2.336 557 M HA 0.485 4.964 4.480 -0.001 0.000 0.342 557 M C -0.471 176.082 176.300 0.420 0.000 1.128 557 M CA -0.233 55.335 55.300 0.447 0.000 1.016 557 M CB 1.113 33.928 32.600 0.357 0.000 1.665 557 M HN 0.750 nan 8.290 nan 0.000 0.445 558 H N 2.028 121.295 119.070 0.330 0.000 2.469 558 H HA 0.474 5.029 4.556 -0.001 0.000 0.342 558 H C -1.318 174.124 175.328 0.190 0.000 1.115 558 H CA -0.577 55.628 56.048 0.262 0.000 1.204 558 H CB 1.165 31.133 29.762 0.344 0.000 1.492 558 H HN 0.646 nan 8.280 nan 0.000 0.499 559 N N 3.061 121.519 118.700 -0.403 0.000 2.569 559 N HA 0.038 4.778 4.740 -0.001 0.000 0.254 559 N C 0.291 175.472 175.510 -0.549 0.000 1.004 559 N CA -0.309 52.522 53.050 -0.366 0.000 0.904 559 N CB 1.607 39.988 38.487 -0.177 0.000 1.165 559 N HN 0.629 nan 8.380 nan 0.000 0.513 560 T N 2.913 117.206 114.554 -0.436 0.000 3.085 560 T HA 0.178 4.527 4.350 -0.001 0.000 0.263 560 T C 0.681 175.348 174.700 -0.056 0.000 1.127 560 T CA 0.451 62.452 62.100 -0.165 0.000 1.103 560 T CB -0.229 68.684 68.868 0.074 0.000 0.921 560 T HN 0.416 nan 8.240 nan 0.000 0.510 561 L N 2.771 123.910 121.223 -0.141 0.000 2.395 561 L HA 0.311 4.651 4.340 -0.001 0.000 0.269 561 L C -1.615 175.113 176.870 -0.237 0.000 1.133 561 L CA -1.938 52.781 54.840 -0.201 0.000 0.812 561 L CB 0.690 42.498 42.059 -0.418 0.000 1.125 561 L HN -0.047 nan 8.230 nan 0.000 0.452 562 P HA 0.049 nan 4.420 nan 0.000 0.243 562 P C -0.940 176.382 177.300 0.037 0.000 1.668 562 P CA 0.351 63.442 63.100 -0.015 0.000 0.898 562 P CB -0.374 31.373 31.700 0.078 0.000 1.637 563 H N -3.299 115.793 119.070 0.037 0.000 3.012 563 H HA 0.239 4.794 4.556 -0.001 0.000 0.367 563 H C -1.054 174.304 175.328 0.050 0.000 1.211 563 H CA -1.096 54.995 56.048 0.071 0.000 1.139 563 H CB 0.013 29.848 29.762 0.122 0.000 1.838 563 H HN -0.135 nan 8.280 nan 0.000 0.550 564 W N 1.769 123.191 121.300 0.203 0.000 2.257 564 W HA 0.196 4.855 4.660 -0.001 0.000 0.337 564 W C 0.878 177.515 176.519 0.197 0.000 1.321 564 W CA 0.451 57.880 57.345 0.141 0.000 1.267 564 W CB 0.419 29.947 29.460 0.114 0.000 1.187 564 W HN 0.486 nan 8.180 nan 0.000 0.565 565 R N 2.527 123.239 120.500 0.354 0.000 2.574 565 R HA 0.290 4.630 4.340 -0.001 0.000 0.288 565 R C -0.994 175.448 176.300 0.237 0.000 1.004 565 R CA -0.658 55.603 56.100 0.269 0.000 0.895 565 R CB 1.328 31.712 30.300 0.141 0.000 1.191 565 R HN 0.480 nan 8.270 nan 0.000 0.444 566 E N 2.622 122.939 120.200 0.194 0.000 2.179 566 E HA 0.241 4.590 4.350 -0.001 0.000 0.275 566 E C -1.183 175.469 176.600 0.087 0.000 0.945 566 E CA -0.747 55.741 56.400 0.146 0.000 0.792 566 E CB 2.356 32.135 29.700 0.132 0.000 1.125 566 E HN 0.395 nan 8.360 nan 0.000 0.397 567 Q N 3.092 122.920 119.800 0.045 0.000 2.352 567 Q HA 0.247 4.586 4.340 -0.001 0.000 0.270 567 Q C -1.454 174.506 176.000 -0.067 0.000 1.006 567 Q CA -0.614 55.186 55.803 -0.006 0.000 0.880 567 Q CB 1.475 30.201 28.738 -0.019 0.000 1.392 567 Q HN 0.558 nan 8.270 nan 0.000 0.401 568 L N 3.319 124.497 121.223 -0.075 0.000 2.453 568 L HA 0.282 4.621 4.340 -0.001 0.000 0.272 568 L C 0.235 176.969 176.870 -0.227 0.000 1.182 568 L CA -0.201 54.555 54.840 -0.140 0.000 0.858 568 L CB 0.462 42.475 42.059 -0.076 0.000 1.120 568 L HN 0.474 nan 8.230 nan 0.000 0.474 569 V N -0.396 119.275 119.914 -0.404 0.000 2.914 569 V HA 0.718 4.838 4.120 -0.001 0.000 0.314 569 V C -0.893 174.920 176.094 -0.469 0.000 1.084 569 V CA -0.867 61.147 62.300 -0.477 0.000 0.963 569 V CB 2.178 33.663 31.823 -0.563 0.000 1.025 569 V HN 0.794 nan 8.190 nan 0.000 0.432 570 D N 1.441 121.560 120.400 -0.468 0.000 2.671 570 D HA 0.621 5.261 4.640 -0.001 0.000 0.232 570 D C -1.427 174.559 176.300 -0.523 0.000 1.114 570 D CA -0.426 53.408 54.000 -0.277 0.000 0.858 570 D CB 2.365 43.098 40.800 -0.111 0.000 1.544 570 D HN 0.452 nan 8.370 nan 0.000 0.471 571 F N 0.053 120.043 119.950 0.067 0.000 2.588 571 F HA 0.337 4.863 4.527 -0.001 0.000 0.310 571 F C -0.550 175.382 175.800 0.219 0.000 1.082 571 F CA -1.046 57.006 58.000 0.086 0.000 0.929 571 F CB 1.603 40.704 39.000 0.170 0.000 1.254 571 F HN 0.146 nan 8.300 nan 0.000 0.455 572 Y N 2.273 122.726 120.300 0.255 0.000 2.335 572 Y HA 0.531 5.080 4.550 -0.001 0.000 0.331 572 Y C 0.226 176.247 175.900 0.201 0.000 1.094 572 Y CA -1.403 56.801 58.100 0.173 0.000 1.253 572 Y CB 0.757 39.273 38.460 0.093 0.000 1.203 572 Y HN 0.335 nan 8.280 nan 0.000 0.508 573 V N -0.354 119.763 119.914 0.338 0.000 2.962 573 V HA 0.565 4.684 4.120 -0.001 0.000 0.313 573 V C 0.366 176.593 176.094 0.223 0.000 1.099 573 V CA -0.720 61.736 62.300 0.261 0.000 0.971 573 V CB 1.725 33.701 31.823 0.255 0.000 1.028 573 V HN 0.667 nan 8.190 nan 0.000 0.430 574 S N 0.302 116.112 115.700 0.184 0.000 2.593 574 S HA 0.238 4.707 4.470 -0.001 0.000 0.217 574 S C 0.705 175.440 174.600 0.224 0.000 0.966 574 S CA 0.497 58.791 58.200 0.156 0.000 0.914 574 S CB -0.201 63.064 63.200 0.109 0.000 0.776 574 S HN 1.442 nan 8.310 nan 0.000 0.523 575 S N 1.245 117.084 115.700 0.231 0.000 2.546 575 S HA 0.586 5.056 4.470 -0.001 0.000 0.274 575 S C -2.619 171.919 174.600 -0.102 0.000 1.121 575 S CA -1.412 56.830 58.200 0.069 0.000 0.887 575 S CB 1.957 65.191 63.200 0.056 0.000 1.094 575 S HN 0.009 nan 8.310 nan 0.000 0.474 576 P HA 0.180 nan 4.420 nan 0.000 0.240 576 P C -0.053 177.132 177.300 -0.191 0.000 1.190 576 P CA 0.407 63.161 63.100 -0.577 0.000 0.781 576 P CB -0.199 30.864 31.700 -1.062 0.000 0.931 577 F N 0.732 120.705 119.950 0.038 0.000 2.509 577 F HA 0.264 4.790 4.527 -0.001 0.000 0.344 577 F C 0.314 176.162 175.800 0.080 0.000 1.197 577 F CA -0.848 57.200 58.000 0.079 0.000 1.294 577 F CB 0.324 39.337 39.000 0.023 0.000 1.643 577 F HN -0.345 nan 8.300 nan 0.000 0.596 578 V N 1.025 121.075 119.914 0.227 0.000 2.656 578 V HA 0.514 4.633 4.120 -0.001 0.000 0.307 578 V C -0.291 175.870 176.094 0.112 0.000 1.051 578 V CA -0.792 61.599 62.300 0.151 0.000 0.893 578 V CB 2.250 34.154 31.823 0.135 0.000 0.999 578 V HN 0.499 nan 8.190 nan 0.000 0.426 579 S N 3.196 118.943 115.700 0.078 0.000 2.600 579 S HA 0.885 5.355 4.470 -0.001 0.000 0.300 579 S C -0.953 173.630 174.600 -0.028 0.000 1.087 579 S CA -0.784 57.441 58.200 0.041 0.000 0.965 579 S CB 2.071 65.311 63.200 0.067 0.000 1.089 579 S HN 0.441 nan 8.310 nan 0.000 0.496 580 V N 2.052 121.911 119.914 -0.091 0.000 2.555 580 V HA 0.787 4.906 4.120 -0.001 0.000 0.302 580 V C 0.119 176.120 176.094 -0.155 0.000 1.038 580 V CA -0.450 61.716 62.300 -0.223 0.000 0.887 580 V CB 1.538 33.040 31.823 -0.535 0.000 0.991 580 V HN 1.195 nan 8.190 nan 0.000 0.434 581 T N -0.366 114.115 114.554 -0.121 0.000 2.906 581 T HA 0.659 5.008 4.350 -0.001 0.000 0.295 581 T C -0.775 173.902 174.700 -0.039 0.000 1.061 581 T CA -0.903 61.149 62.100 -0.080 0.000 1.000 581 T CB 2.075 70.889 68.868 -0.090 0.000 1.103 581 T HN 0.710 nan 8.240 nan 0.000 0.486 582 D N 0.722 121.076 120.400 -0.076 0.000 2.478 582 D HA 0.230 4.870 4.640 -0.001 0.000 0.269 582 D C 0.494 176.652 176.300 -0.238 0.000 1.232 582 D CA -1.185 52.658 54.000 -0.262 0.000 1.059 582 D CB 0.310 40.965 40.800 -0.242 0.000 1.104 582 D HN 0.360 nan 8.370 nan 0.000 0.566 583 L N -0.604 120.458 121.223 -0.269 0.000 2.737 583 L HA 0.385 4.724 4.340 -0.001 0.000 0.236 583 L C 1.147 177.936 176.870 -0.135 0.000 1.219 583 L CA 0.244 54.971 54.840 -0.189 0.000 1.021 583 L CB -0.696 41.255 42.059 -0.179 0.000 1.291 583 L HN 0.626 nan 8.230 nan 0.000 0.470 584 A N -1.147 121.600 122.820 -0.122 0.000 2.470 584 A HA 0.217 4.537 4.320 -0.001 0.000 0.251 584 A C 1.156 178.692 177.584 -0.081 0.000 1.245 584 A CA -0.091 51.892 52.037 -0.089 0.000 0.932 584 A CB -0.197 18.757 19.000 -0.077 0.000 1.037 584 A HN 0.392 nan 8.150 nan 0.000 0.522 585 N N 0.456 119.101 118.700 -0.093 0.000 2.782 585 N HA -0.128 4.611 4.740 -0.001 0.000 0.251 585 N C -1.020 174.443 175.510 -0.078 0.000 1.101 585 N CA 0.643 53.645 53.050 -0.080 0.000 0.764 585 N CB -1.320 37.131 38.487 -0.060 0.000 1.122 585 N HN 0.598 nan 8.380 nan 0.000 0.561 586 N N 1.700 120.350 118.700 -0.084 0.000 2.497 586 N HA 0.239 4.979 4.740 -0.001 0.000 0.271 586 N C -2.322 173.117 175.510 -0.119 0.000 1.142 586 N CA -0.688 52.308 53.050 -0.091 0.000 0.965 586 N CB 0.600 39.044 38.487 -0.072 0.000 1.077 586 N HN 0.202 nan 8.380 nan 0.000 0.462 587 P HA 0.031 nan 4.420 nan 0.000 0.267 587 P C -0.418 176.746 177.300 -0.227 0.000 1.200 587 P CA -0.032 62.883 63.100 -0.307 0.000 0.772 587 P CB 0.747 31.976 31.700 -0.785 0.000 0.855 588 V N 3.128 122.954 119.914 -0.146 0.000 2.487 588 V HA 0.173 4.292 4.120 -0.001 0.000 0.298 588 V C 0.346 176.435 176.094 -0.009 0.000 1.028 588 V CA -0.798 61.476 62.300 -0.044 0.000 0.860 588 V CB 1.642 33.454 31.823 -0.018 0.000 0.991 588 V HN 0.433 nan 8.190 nan 0.000 0.427 589 E N 3.308 123.544 120.200 0.059 0.000 2.366 589 E HA 0.501 4.850 4.350 -0.001 0.000 0.266 589 E C 0.066 176.736 176.600 0.116 0.000 1.015 589 E CA 0.184 56.649 56.400 0.108 0.000 0.906 589 E CB 1.464 31.231 29.700 0.113 0.000 0.979 589 E HN 0.811 nan 8.360 nan 0.000 0.443 590 A N 3.219 126.096 122.820 0.095 0.000 2.479 590 A HA 0.544 4.864 4.320 -0.001 0.000 0.296 590 A C -0.794 176.808 177.584 0.030 0.000 1.121 590 A CA -0.700 51.403 52.037 0.109 0.000 0.743 590 A CB 1.838 20.896 19.000 0.098 0.000 1.323 590 A HN 0.539 nan 8.150 nan 0.000 0.415 591 Q N 0.813 120.639 119.800 0.042 0.000 2.356 591 Q HA 0.647 4.987 4.340 -0.001 0.000 0.270 591 Q C -1.997 173.998 176.000 -0.008 0.000 1.058 591 Q CA -0.554 55.233 55.803 -0.027 0.000 0.802 591 Q CB 2.153 30.913 28.738 0.037 0.000 1.303 591 Q HN 0.563 nan 8.270 nan 0.000 0.444 592 V N 2.605 122.444 119.914 -0.125 0.000 2.483 592 V HA 0.573 4.692 4.120 -0.001 0.000 0.295 592 V C -0.513 175.761 176.094 0.300 0.000 1.035 592 V CA -0.324 62.017 62.300 0.067 0.000 0.896 592 V CB 1.808 33.634 31.823 0.004 0.000 0.986 592 V HN 0.841 nan 8.190 nan 0.000 0.447 593 S N 5.077 120.985 115.700 0.347 0.000 2.599 593 S HA 0.692 5.162 4.470 -0.001 0.000 0.287 593 S C -2.759 171.924 174.600 0.138 0.000 1.105 593 S CA -1.151 57.240 58.200 0.318 0.000 0.899 593 S CB 2.453 65.788 63.200 0.226 0.000 1.100 593 S HN 0.541 nan 8.310 nan 0.000 0.482 594 P HA 0.264 nan 4.420 nan 0.000 0.274 594 P C -1.167 175.832 177.300 -0.501 0.000 1.256 594 P CA -0.522 62.232 63.100 -0.576 0.000 0.795 594 P CB 0.377 31.348 31.700 -1.215 0.000 1.038 595 V N 1.531 121.070 119.914 -0.625 0.000 2.348 595 V HA 0.197 4.316 4.120 -0.001 0.000 0.270 595 V C -0.550 175.239 176.094 -0.508 0.000 1.037 595 V CA -0.193 61.823 62.300 -0.474 0.000 0.872 595 V CB -0.386 31.076 31.823 -0.602 0.000 1.002 595 V HN 0.515 nan 8.190 nan 0.000 0.464 596 W N 3.439 124.658 121.300 -0.135 0.000 2.433 596 W HA 0.623 5.282 4.660 -0.001 0.000 0.315 596 W C 0.380 176.815 176.519 -0.140 0.000 1.087 596 W CA -0.433 56.811 57.345 -0.168 0.000 1.205 596 W CB 1.847 31.212 29.460 -0.158 0.000 1.288 596 W HN 0.569 nan 8.180 nan 0.000 0.504 597 S N 1.699 117.416 115.700 0.029 0.000 2.521 597 S HA 0.556 5.026 4.470 -0.001 0.000 0.295 597 S C -1.386 172.976 174.600 -0.397 0.000 1.098 597 S CA -0.934 57.202 58.200 -0.107 0.000 0.999 597 S CB 0.899 64.026 63.200 -0.122 0.000 1.034 597 S HN 0.418 nan 8.310 nan 0.000 0.483 598 W N 2.377 123.439 121.300 -0.396 0.000 2.390 598 W HA 0.493 5.153 4.660 -0.001 0.000 0.312 598 W C 0.407 176.558 176.519 -0.614 0.000 1.123 598 W CA -0.145 56.965 57.345 -0.390 0.000 1.202 598 W CB 0.821 30.158 29.460 -0.204 0.000 1.251 598 W HN 0.625 nan 8.180 nan 0.000 0.511 599 H N 2.207 121.269 119.070 -0.014 0.000 2.589 599 H HA 0.116 4.672 4.556 -0.001 0.000 0.351 599 H C -0.654 174.631 175.328 -0.072 0.000 1.074 599 H CA -0.802 55.200 56.048 -0.078 0.000 1.203 599 H CB 1.653 31.299 29.762 -0.193 0.000 1.558 599 H HN 0.349 nan 8.280 nan 0.000 0.522 600 H N 2.980 122.097 119.070 0.077 0.000 3.004 600 H HA -0.007 4.548 4.556 -0.001 0.000 0.267 600 H C -0.509 174.857 175.328 0.064 0.000 1.165 600 H CA -0.098 55.988 56.048 0.063 0.000 1.450 600 H CB 0.108 29.900 29.762 0.049 0.000 1.488 600 H HN 0.554 nan 8.280 nan 0.000 0.478 601 D N 3.516 124.016 120.400 0.167 0.000 2.352 601 D HA -0.051 4.588 4.640 -0.001 0.000 0.245 601 D C 1.002 177.441 176.300 0.230 0.000 1.224 601 D CA 0.065 54.185 54.000 0.200 0.000 0.879 601 D CB 0.893 41.878 40.800 0.308 0.000 1.057 601 D HN 0.546 nan 8.370 nan 0.000 0.491 602 T N 4.087 118.757 114.554 0.194 0.000 3.118 602 T HA 0.000 4.350 4.350 -0.001 0.000 0.260 602 T C 1.652 176.415 174.700 0.105 0.000 1.139 602 T CA 0.224 62.418 62.100 0.157 0.000 1.085 602 T CB 0.061 68.981 68.868 0.086 0.000 0.934 602 T HN 0.330 nan 8.240 nan 0.000 0.518 603 L N 1.060 122.340 121.223 0.096 0.000 2.189 603 L HA 0.135 4.474 4.340 -0.001 0.000 0.199 603 L C 2.934 179.842 176.870 0.064 0.000 1.074 603 L CA 1.921 56.801 54.840 0.066 0.000 0.783 603 L CB -1.562 40.528 42.059 0.051 0.000 0.955 603 L HN 0.418 nan 8.230 nan 0.000 0.460 604 T N -3.737 110.863 114.554 0.076 0.000 3.088 604 T HA -0.028 4.322 4.350 -0.001 0.000 0.259 604 T C 0.797 175.534 174.700 0.062 0.000 1.122 604 T CA -0.061 62.072 62.100 0.055 0.000 1.095 604 T CB 0.078 68.968 68.868 0.037 0.000 0.930 604 T HN 0.114 nan 8.240 nan 0.000 0.508 605 K N 1.968 122.422 120.400 0.091 0.000 3.117 605 K HA -0.125 4.194 4.320 -0.001 0.000 0.269 605 K C 0.121 176.731 176.600 0.018 0.000 1.098 605 K CA 1.261 57.601 56.287 0.089 0.000 0.785 605 K CB -2.927 29.622 32.500 0.083 0.000 1.242 605 K HN 0.874 nan 8.250 nan 0.000 0.491 606 T N -2.667 111.895 114.554 0.014 0.000 2.916 606 T HA 0.806 5.156 4.350 -0.001 0.000 0.292 606 T C 0.277 174.959 174.700 -0.031 0.000 1.055 606 T CA -1.056 61.050 62.100 0.009 0.000 1.009 606 T CB 2.230 71.159 68.868 0.102 0.000 1.118 606 T HN 0.142 nan 8.240 nan 0.000 0.497 607 I N 4.022 124.579 120.570 -0.022 0.000 2.328 607 I HA 0.428 4.598 4.170 -0.001 0.000 0.287 607 I C 0.122 176.424 176.117 0.309 0.000 1.012 607 I CA -0.723 60.598 61.300 0.035 0.000 1.195 607 I CB 0.573 38.559 38.000 -0.023 0.000 1.350 607 I HN 0.775 nan 8.210 nan 0.000 0.464 608 H N 6.295 125.482 119.070 0.195 0.000 3.012 608 H HA 0.586 5.141 4.556 -0.001 0.000 0.367 608 H C -3.302 171.809 175.328 -0.361 0.000 1.211 608 H CA -2.573 53.451 56.048 -0.039 0.000 1.139 608 H CB 2.193 31.934 29.762 -0.035 0.000 1.838 608 H HN 0.161 nan 8.280 nan 0.000 0.550 609 P HA 0.259 nan 4.420 nan 0.000 0.286 609 P C -0.838 176.405 177.300 -0.095 0.000 1.261 609 P CA -0.569 62.007 63.100 -0.874 0.000 0.821 609 P CB 2.072 32.898 31.700 -1.456 0.000 1.013 610 Q N 0.496 120.338 119.800 0.069 0.000 2.353 610 Q HA 0.615 4.955 4.340 -0.001 0.000 0.268 610 Q C 0.044 176.126 176.000 0.137 0.000 1.045 610 Q CA -0.816 55.113 55.803 0.210 0.000 0.811 610 Q CB 2.548 31.424 28.738 0.230 0.000 1.305 610 Q HN 0.555 nan 8.270 nan 0.000 0.447 611 G N 0.661 109.412 108.800 -0.082 0.000 2.389 611 G HA2 0.338 4.298 3.960 -0.001 0.000 0.328 611 G HA3 0.338 4.298 3.960 -0.001 0.000 0.328 611 G C -0.570 174.068 174.900 -0.437 0.000 1.133 611 G CA -0.350 44.358 45.100 -0.653 0.000 0.891 611 G HN 0.421 nan 8.290 nan 0.000 0.485 612 S N -0.640 114.740 115.700 -0.532 0.000 2.565 612 S HA 0.345 4.814 4.470 -0.001 0.000 0.276 612 S C 1.535 175.862 174.600 -0.455 0.000 1.326 612 S CA 0.241 58.170 58.200 -0.451 0.000 1.045 612 S CB 0.798 63.675 63.200 -0.538 0.000 0.918 612 S HN 0.918 nan 8.310 nan 0.000 0.505 613 T N -0.158 114.215 114.554 -0.302 0.000 3.092 613 T HA 0.174 4.524 4.350 -0.001 0.000 0.258 613 T C 0.964 175.572 174.700 -0.154 0.000 1.031 613 T CA 0.434 62.430 62.100 -0.174 0.000 0.925 613 T CB -0.197 68.626 68.868 -0.074 0.000 1.036 613 T HN 0.688 nan 8.240 nan 0.000 0.544 614 T N -2.546 111.813 114.554 -0.325 0.000 3.080 614 T HA 0.382 4.731 4.350 -0.001 0.000 0.280 614 T C 0.027 174.520 174.700 -0.345 0.000 0.926 614 T CA -0.524 61.452 62.100 -0.207 0.000 0.883 614 T CB 0.397 69.196 68.868 -0.114 0.000 1.194 614 T HN 0.299 nan 8.240 nan 0.000 0.541 615 K N 0.273 120.222 120.400 -0.752 0.000 2.464 615 K HA 0.623 4.942 4.320 -0.001 0.000 0.253 615 K C -2.040 173.916 176.600 -1.074 0.000 0.933 615 K CA -0.758 55.144 56.287 -0.642 0.000 0.801 615 K CB 2.092 34.305 32.500 -0.479 0.000 1.271 615 K HN 0.194 nan 8.250 nan 0.000 0.430 616 Y N 0.561 120.787 120.300 -0.124 0.000 2.581 616 Y HA 0.447 4.996 4.550 -0.001 0.000 0.345 616 Y C -0.247 175.686 175.900 0.055 0.000 1.036 616 Y CA -1.091 56.972 58.100 -0.062 0.000 1.042 616 Y CB 1.853 40.340 38.460 0.044 0.000 1.289 616 Y HN 0.330 nan 8.280 nan 0.000 0.471 617 R N 1.826 122.479 120.500 0.255 0.000 2.265 617 R HA 0.570 4.909 4.340 -0.001 0.000 0.319 617 R C -1.241 175.234 176.300 0.293 0.000 1.006 617 R CA -0.628 55.660 56.100 0.313 0.000 0.880 617 R CB 1.566 32.024 30.300 0.262 0.000 1.077 617 R HN 0.628 nan 8.270 nan 0.000 0.454 618 I N 4.178 124.938 120.570 0.316 0.000 2.404 618 I HA 0.415 4.585 4.170 -0.001 0.000 0.293 618 I C -1.054 175.248 176.117 0.307 0.000 0.992 618 I CA -0.738 60.738 61.300 0.294 0.000 1.149 618 I CB 1.028 39.215 38.000 0.311 0.000 1.315 618 I HN 0.536 nan 8.210 nan 0.000 0.446 619 I N 8.269 128.987 120.570 0.247 0.000 2.498 619 I HA 0.522 4.691 4.170 -0.001 0.000 0.290 619 I C -0.984 175.277 176.117 0.240 0.000 1.032 619 I CA -0.520 60.870 61.300 0.150 0.000 1.073 619 I CB 1.650 39.703 38.000 0.088 0.000 1.251 619 I HN 0.516 nan 8.210 nan 0.000 0.426 620 F N 2.720 122.690 119.950 0.034 0.000 2.686 620 F HA 0.573 5.100 4.527 -0.001 0.000 0.311 620 F C -1.052 174.728 175.800 -0.033 0.000 1.128 620 F CA -1.297 56.701 58.000 -0.003 0.000 0.946 620 F CB 1.317 40.300 39.000 -0.028 0.000 1.336 620 F HN 0.189 nan 8.300 nan 0.000 0.457 621 K N 1.993 122.479 120.400 0.142 0.000 2.285 621 K HA 0.715 5.034 4.320 -0.001 0.000 0.286 621 K C -0.606 176.046 176.600 0.085 0.000 1.072 621 K CA -0.340 55.975 56.287 0.046 0.000 0.913 621 K CB 0.823 33.382 32.500 0.098 0.000 1.067 621 K HN 0.909 nan 8.250 nan 0.000 0.479 622 A N 4.677 127.455 122.820 -0.070 0.000 2.309 622 A HA 0.376 4.695 4.320 -0.001 0.000 0.298 622 A C -0.586 177.135 177.584 0.228 0.000 1.165 622 A CA -0.627 51.441 52.037 0.052 0.000 0.821 622 A CB 0.603 19.588 19.000 -0.025 0.000 1.102 622 A HN 0.874 nan 8.150 nan 0.000 0.500 623 R N 2.267 123.014 120.500 0.411 0.000 2.360 623 R HA 0.597 4.937 4.340 -0.001 0.000 0.318 623 R C -1.884 174.688 176.300 0.453 0.000 0.950 623 R CA -0.237 56.096 56.100 0.389 0.000 0.837 623 R CB 1.254 31.759 30.300 0.343 0.000 1.165 623 R HN 0.492 nan 8.270 nan 0.000 0.458 624 V N 6.221 126.360 119.914 0.375 0.000 2.656 624 V HA 0.459 4.578 4.120 -0.001 0.000 0.307 624 V C -2.256 173.746 176.094 -0.154 0.000 1.051 624 V CA -2.337 60.069 62.300 0.177 0.000 0.893 624 V CB 1.893 33.791 31.823 0.124 0.000 0.999 624 V HN 0.784 nan 8.190 nan 0.000 0.426 625 P HA 0.226 nan 4.420 nan 0.000 0.271 625 P C -2.748 174.070 177.300 -0.803 0.000 1.233 625 P CA -1.424 60.790 63.100 -1.477 0.000 0.789 625 P CB -0.250 30.789 31.700 -1.101 0.000 0.951 626 P HA 0.082 nan 4.420 nan 0.000 0.264 626 P C 0.113 177.369 177.300 -0.072 0.000 1.193 626 P CA 0.636 63.543 63.100 -0.321 0.000 0.763 626 P CB -0.259 31.321 31.700 -0.200 0.000 0.810 627 M N 0.384 119.980 119.600 -0.006 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.571 177.072 176.300 0.336 0.000 0.342 627 M CA 1.003 56.438 55.300 0.224 0.000 0.417 627 M CB -2.033 30.784 32.600 0.362 0.000 1.338 627 M HN 0.580 nan 8.290 nan 0.000 0.920 628 G N -0.214 108.641 108.800 0.091 0.000 3.022 628 G HA2 0.932 4.891 3.960 -0.001 0.000 0.284 628 G HA3 0.932 4.891 3.960 -0.001 0.000 0.284 628 G C -1.367 173.657 174.900 0.206 0.000 1.375 628 G CA -0.972 44.153 45.100 0.042 0.000 0.902 628 G HN 0.173 nan 8.290 nan 0.000 0.538 629 L N -0.408 120.921 121.223 0.176 0.000 2.388 629 L HA 0.792 5.131 4.340 -0.001 0.000 0.264 629 L C -0.215 176.743 176.870 0.147 0.000 0.998 629 L CA -1.017 53.952 54.840 0.216 0.000 0.817 629 L CB 2.456 44.645 42.059 0.217 0.000 1.338 629 L HN 0.754 nan 8.230 nan 0.000 0.414 630 A N 0.944 123.889 122.820 0.209 0.000 2.422 630 A HA 0.826 5.145 4.320 -0.001 0.000 0.302 630 A C -0.765 176.956 177.584 0.228 0.000 1.041 630 A CA -0.455 51.690 52.037 0.180 0.000 0.708 630 A CB 1.731 20.887 19.000 0.260 0.000 1.257 630 A HN 0.561 nan 8.150 nan 0.000 0.414 631 T N 2.036 116.620 114.554 0.049 0.000 2.824 631 T HA 0.655 5.004 4.350 -0.001 0.000 0.280 631 T C -1.092 173.508 174.700 -0.166 0.000 0.995 631 T CA 0.194 62.366 62.100 0.120 0.000 1.009 631 T CB 0.404 69.347 68.868 0.125 0.000 0.955 631 T HN 0.442 nan 8.240 nan 0.000 0.452 632 Y N 0.291 120.661 120.300 0.117 0.000 2.605 632 Y HA 0.670 5.220 4.550 -0.001 0.000 0.343 632 Y C -0.354 175.456 175.900 -0.149 0.000 1.036 632 Y CA -1.153 56.930 58.100 -0.028 0.000 1.065 632 Y CB 1.738 40.195 38.460 -0.003 0.000 1.288 632 Y HN 0.313 nan 8.280 nan 0.000 0.481 633 V N 3.132 122.999 119.914 -0.078 0.000 2.588 633 V HA 0.447 4.567 4.120 -0.001 0.000 0.304 633 V C -0.783 175.248 176.094 -0.105 0.000 1.042 633 V CA -0.962 61.234 62.300 -0.174 0.000 0.877 633 V CB 1.777 33.429 31.823 -0.285 0.000 0.996 633 V HN 0.495 nan 8.190 nan 0.000 0.425 634 L N 3.837 125.027 121.223 -0.054 0.000 2.296 634 L HA 0.691 5.031 4.340 -0.001 0.000 0.286 634 L C -0.143 176.743 176.870 0.026 0.000 1.023 634 L CA -0.136 54.688 54.840 -0.027 0.000 0.812 634 L CB 1.821 43.876 42.059 -0.007 0.000 1.223 634 L HN 0.610 nan 8.230 nan 0.000 0.421 635 T N 3.702 118.275 114.554 0.032 0.000 2.848 635 T HA 0.461 4.810 4.350 -0.001 0.000 0.285 635 T C -0.247 174.501 174.700 0.081 0.000 0.995 635 T CA -0.379 61.755 62.100 0.056 0.000 0.970 635 T CB 2.368 71.258 68.868 0.038 0.000 0.976 635 T HN 0.383 nan 8.240 nan 0.000 0.441 636 I N 3.163 123.790 120.570 0.095 0.000 2.662 636 I HA 0.537 4.706 4.170 -0.001 0.000 0.291 636 I C 0.263 176.447 176.117 0.110 0.000 1.046 636 I CA 0.150 61.523 61.300 0.121 0.000 1.361 636 I CB 0.749 38.823 38.000 0.124 0.000 1.429 636 I HN 0.822 nan 8.210 nan 0.000 0.558 637 S N 3.776 119.560 115.700 0.140 0.000 2.661 637 S HA 0.311 4.781 4.470 -0.001 0.000 0.285 637 S C 0.250 174.898 174.600 0.079 0.000 1.138 637 S CA -0.546 57.704 58.200 0.085 0.000 0.855 637 S CB 1.550 64.780 63.200 0.049 0.000 1.136 637 S HN 0.740 nan 8.310 nan 0.000 0.484 638 D N 0.308 120.696 120.400 -0.019 0.000 2.277 638 D HA 0.015 4.654 4.640 -0.001 0.000 0.208 638 D C 0.830 176.904 176.300 -0.377 0.000 0.962 638 D CA 0.932 54.889 54.000 -0.073 0.000 0.865 638 D CB -0.110 40.653 40.800 -0.061 0.000 0.939 638 D HN 0.615 nan 8.370 nan 0.000 0.510 639 S N -1.219 114.168 115.700 -0.523 0.000 2.720 639 S HA 0.394 4.864 4.470 -0.001 0.000 0.287 639 S C -0.602 173.573 174.600 -0.710 0.000 1.168 639 S CA -1.131 56.504 58.200 -0.940 0.000 0.832 639 S CB 1.800 64.708 63.200 -0.486 0.000 1.166 639 S HN -0.054 nan 8.310 nan 0.000 0.493 640 K N 1.982 122.052 120.400 -0.551 0.000 2.430 640 K HA 0.194 4.514 4.320 -0.001 0.000 0.280 640 K C -2.403 174.217 176.600 0.034 0.000 1.063 640 K CA -0.668 55.608 56.287 -0.018 0.000 1.071 640 K CB -0.531 31.996 32.500 0.045 0.000 0.899 640 K HN 0.388 nan 8.250 nan 0.000 0.473 641 P HA -0.009 nan 4.420 nan 0.000 0.272 641 P C 0.522 177.848 177.300 0.043 0.000 1.223 641 P CA -0.288 62.862 63.100 0.083 0.000 0.784 641 P CB 0.743 32.515 31.700 0.121 0.000 0.923 642 E N 1.144 121.334 120.200 -0.018 0.000 2.118 642 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 642 E C 0.554 176.986 176.600 -0.280 0.000 0.992 642 E CA 1.178 57.473 56.400 -0.174 0.000 0.804 642 E CB -0.038 29.496 29.700 -0.276 0.000 0.741 642 E HN 0.500 nan 8.360 nan 0.000 0.458 643 H N -0.749 118.331 119.070 0.016 0.000 2.505 643 H HA 0.212 4.768 4.556 -0.001 0.000 0.289 643 H C -0.395 174.927 175.328 -0.009 0.000 1.052 643 H CA 0.192 56.245 56.048 0.007 0.000 1.156 643 H CB 0.727 30.491 29.762 0.005 0.000 1.507 643 H HN -0.044 nan 8.280 nan 0.000 0.548 644 T N 1.487 116.066 114.554 0.041 0.000 2.812 644 T HA 0.319 4.668 4.350 -0.001 0.000 0.282 644 T C 0.302 174.888 174.700 -0.189 0.000 0.990 644 T CA -0.703 61.353 62.100 -0.074 0.000 0.960 644 T CB 2.167 70.986 68.868 -0.082 0.000 0.948 644 T HN 0.268 nan 8.240 nan 0.000 0.438 645 S N 2.284 117.823 115.700 -0.268 0.000 2.704 645 S HA 0.792 5.262 4.470 -0.001 0.000 0.305 645 S C -1.431 172.831 174.600 -0.564 0.000 1.107 645 S CA -0.827 57.229 58.200 -0.240 0.000 0.993 645 S CB 0.916 64.087 63.200 -0.048 0.000 1.110 645 S HN 0.575 nan 8.310 nan 0.000 0.534 646 Y N -0.002 120.301 120.300 0.005 0.000 2.391 646 Y HA 0.655 5.204 4.550 -0.001 0.000 0.341 646 Y C 0.564 176.512 175.900 0.079 0.000 0.965 646 Y CA -0.802 57.284 58.100 -0.024 0.000 1.067 646 Y CB 1.707 40.010 38.460 -0.261 0.000 1.199 646 Y HN 1.035 nan 8.280 nan 0.000 0.450 647 A N 2.016 125.027 122.820 0.318 0.000 2.407 647 A HA 0.477 4.796 4.320 -0.001 0.000 0.248 647 A C 0.310 178.094 177.584 0.333 0.000 1.082 647 A CA -0.304 51.908 52.037 0.291 0.000 0.785 647 A CB -0.079 19.093 19.000 0.286 0.000 1.020 647 A HN 0.771 nan 8.150 nan 0.000 0.489 648 S N 2.170 118.001 115.700 0.218 0.000 2.632 648 S HA 0.513 4.982 4.470 -0.001 0.000 0.271 648 S C -0.328 174.372 174.600 0.166 0.000 1.260 648 S CA -0.843 57.470 58.200 0.187 0.000 1.010 648 S CB 0.684 63.951 63.200 0.112 0.000 0.965 648 S HN 0.691 nan 8.310 nan 0.000 0.534 649 N N 0.581 119.356 118.700 0.126 0.000 2.310 649 N HA 0.484 5.224 4.740 -0.001 0.000 0.292 649 N C -1.990 173.466 175.510 -0.089 0.000 1.049 649 N CA -0.536 52.545 53.050 0.051 0.000 0.849 649 N CB 2.013 40.619 38.487 0.200 0.000 1.532 649 N HN 0.584 nan 8.380 nan 0.000 0.479 650 L N 2.635 123.761 121.223 -0.163 0.000 2.406 650 L HA 0.485 4.825 4.340 -0.001 0.000 0.272 650 L C -1.568 175.150 176.870 -0.254 0.000 0.980 650 L CA -0.586 54.131 54.840 -0.205 0.000 0.831 650 L CB 1.539 43.532 42.059 -0.109 0.000 1.253 650 L HN 0.422 nan 8.230 nan 0.000 0.406 651 L N 6.730 127.758 121.223 -0.324 0.000 2.265 651 L HA 0.480 4.819 4.340 -0.001 0.000 0.289 651 L C -1.261 175.590 176.870 -0.033 0.000 1.033 651 L CA -0.369 54.344 54.840 -0.212 0.000 0.814 651 L CB 1.230 43.160 42.059 -0.215 0.000 1.203 651 L HN 0.678 nan 8.230 nan 0.000 0.423 652 L N 7.240 128.456 121.223 -0.012 0.000 2.262 652 L HA 0.574 4.913 4.340 -0.001 0.000 0.288 652 L C -0.028 176.877 176.870 0.058 0.000 1.035 652 L CA -0.430 54.431 54.840 0.036 0.000 0.820 652 L CB 0.944 43.016 42.059 0.021 0.000 1.204 652 L HN 0.654 nan 8.230 nan 0.000 0.424 653 R N 2.058 122.602 120.500 0.074 0.000 2.709 653 R HA 0.460 4.799 4.340 -0.001 0.000 0.270 653 R C -1.643 174.686 176.300 0.048 0.000 1.038 653 R CA -1.080 55.056 56.100 0.060 0.000 0.872 653 R CB 1.471 31.805 30.300 0.058 0.000 1.259 653 R HN 0.167 nan 8.270 nan 0.000 0.473 654 K N 1.651 122.069 120.400 0.030 0.000 2.185 654 K HA 0.132 4.451 4.320 -0.001 0.000 0.271 654 K C -0.339 176.258 176.600 -0.005 0.000 1.013 654 K CA -0.491 55.804 56.287 0.014 0.000 0.943 654 K CB 0.587 33.095 32.500 0.013 0.000 0.998 654 K HN 0.806 nan 8.250 nan 0.000 0.468 655 N N 0.934 119.619 118.700 -0.026 0.000 2.771 655 N HA -0.104 4.635 4.740 -0.001 0.000 0.249 655 N C -2.721 172.738 175.510 -0.085 0.000 1.069 655 N CA 0.103 53.120 53.050 -0.055 0.000 0.688 655 N CB -0.675 37.785 38.487 -0.045 0.000 0.928 655 N HN 0.364 nan 8.380 nan 0.000 0.551 656 P HA 0.285 nan 4.420 nan 0.000 0.277 656 P C -0.234 176.887 177.300 -0.298 0.000 1.240 656 P CA -0.077 62.912 63.100 -0.184 0.000 0.798 656 P CB 1.065 32.619 31.700 -0.244 0.000 0.979 657 T N -2.447 111.934 114.554 -0.288 0.000 2.930 657 T HA 0.492 4.842 4.350 -0.001 0.000 0.290 657 T C 0.259 174.788 174.700 -0.285 0.000 1.052 657 T CA -0.761 61.178 62.100 -0.269 0.000 1.017 657 T CB 0.545 69.318 68.868 -0.158 0.000 1.137 657 T HN 0.451 nan 8.240 nan 0.000 0.511 658 S N 0.714 116.299 115.700 -0.192 0.000 2.566 658 S HA 0.335 4.805 4.470 -0.001 0.000 0.280 658 S C -0.148 174.553 174.600 0.168 0.000 1.343 658 S CA -0.708 57.479 58.200 -0.021 0.000 1.036 658 S CB -0.397 62.804 63.200 0.001 0.000 0.866 658 S HN 0.688 nan 8.310 nan 0.000 0.526 659 L N 2.665 124.093 121.223 0.342 0.000 2.481 659 L HA 0.378 4.718 4.340 -0.001 0.000 0.255 659 L C -2.328 174.651 176.870 0.182 0.000 1.192 659 L CA -1.643 53.365 54.840 0.281 0.000 0.924 659 L CB 1.602 43.900 42.059 0.398 0.000 1.179 659 L HN 0.595 nan 8.230 nan 0.000 0.491 660 P HA 0.201 nan 4.420 nan 0.000 0.275 660 P C -0.063 177.240 177.300 0.005 0.000 1.228 660 P CA -0.196 62.943 63.100 0.065 0.000 0.786 660 P CB 1.768 33.495 31.700 0.046 0.000 0.927 661 L N 1.032 122.268 121.223 0.022 0.000 3.366 661 L HA 0.290 4.630 4.340 -0.001 0.000 0.304 661 L C 1.375 178.318 176.870 0.121 0.000 1.292 661 L CA -0.075 54.759 54.840 -0.011 0.000 1.012 661 L CB 0.046 42.066 42.059 -0.065 0.000 1.414 661 L HN 0.736 nan 8.230 nan 0.000 0.603 662 G N 1.041 109.893 108.800 0.086 0.000 2.583 662 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.292 662 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.292 662 G C 0.522 175.480 174.900 0.097 0.000 1.203 662 G CA 0.670 45.836 45.100 0.109 0.000 0.987 662 G HN 0.439 nan 8.290 nan 0.000 0.554 663 Q N -0.523 119.313 119.800 0.060 0.000 2.472 663 Q HA 0.148 4.487 4.340 -0.001 0.000 0.208 663 Q C 0.849 176.693 176.000 -0.261 0.000 0.958 663 Q CA 0.320 56.061 55.803 -0.104 0.000 0.932 663 Q CB 0.215 28.807 28.738 -0.243 0.000 1.007 663 Q HN 0.493 nan 8.270 nan 0.000 0.508 664 Y N 3.760 123.864 120.300 -0.325 0.000 2.802 664 Y HA -0.046 4.503 4.550 -0.001 0.000 0.333 664 Y C -1.414 174.345 175.900 -0.235 0.000 1.244 664 Y CA -1.630 56.256 58.100 -0.358 0.000 1.558 664 Y CB 0.810 39.208 38.460 -0.102 0.000 1.233 664 Y HN 0.061 nan 8.280 nan 0.000 0.547 665 P HA -0.092 nan 4.420 nan 0.000 0.237 665 P C -0.531 176.621 177.300 -0.247 0.000 1.178 665 P CA 0.791 63.642 63.100 -0.414 0.000 0.766 665 P CB 0.300 31.649 31.700 -0.586 0.000 0.876 666 E N 0.932 121.016 120.200 -0.194 0.000 2.165 666 E HA 0.224 4.574 4.350 -0.001 0.000 0.266 666 E C -0.823 175.898 176.600 0.202 0.000 0.889 666 E CA -0.799 55.626 56.400 0.042 0.000 0.756 666 E CB 0.460 30.220 29.700 0.101 0.000 1.131 666 E HN -0.183 nan 8.360 nan 0.000 0.411 667 D N 2.879 123.355 120.400 0.127 0.000 2.389 667 D HA 0.079 4.719 4.640 -0.001 0.000 0.247 667 D C -0.131 176.231 176.300 0.103 0.000 1.128 667 D CA -0.162 53.916 54.000 0.129 0.000 0.884 667 D CB 1.165 42.027 40.800 0.104 0.000 1.194 667 D HN 0.219 nan 8.370 nan 0.000 0.441 668 V N 3.001 122.960 119.914 0.075 0.000 2.673 668 V HA -0.043 4.077 4.120 -0.001 0.000 0.303 668 V C 0.808 176.727 176.094 -0.292 0.000 1.046 668 V CA 0.326 62.566 62.300 -0.100 0.000 1.126 668 V CB 0.220 31.959 31.823 -0.139 0.000 0.934 668 V HN 0.352 nan 8.190 nan 0.000 0.487 669 K N 3.990 124.165 120.400 -0.376 0.000 2.123 669 K HA 0.730 5.049 4.320 -0.001 0.000 0.248 669 K C -1.185 175.041 176.600 -0.623 0.000 0.969 669 K CA -0.312 55.791 56.287 -0.307 0.000 0.882 669 K CB 1.488 33.928 32.500 -0.100 0.000 1.080 669 K HN 0.423 nan 8.250 nan 0.000 0.441 670 F N -0.410 119.550 119.950 0.016 0.000 2.577 670 F HA 0.715 5.241 4.527 -0.001 0.000 0.318 670 F C 0.487 176.289 175.800 0.003 0.000 1.065 670 F CA -0.627 57.373 58.000 0.001 0.000 0.929 670 F CB 2.681 41.681 39.000 -0.001 0.000 1.237 670 F HN 0.612 nan 8.300 nan 0.000 0.468 671 G N 0.368 109.276 108.800 0.179 0.000 2.646 671 G HA2 0.403 4.362 3.960 -0.001 0.000 0.291 671 G HA3 0.403 4.362 3.960 -0.001 0.000 0.291 671 G C -2.118 172.833 174.900 0.086 0.000 1.445 671 G CA -0.851 44.313 45.100 0.106 0.000 0.814 671 G HN 0.371 nan 8.290 nan 0.000 0.495 672 D N 0.900 121.337 120.400 0.062 0.000 2.382 672 D HA 0.345 4.984 4.640 -0.001 0.000 0.240 672 D C -1.969 174.359 176.300 0.047 0.000 1.146 672 D CA -0.527 53.502 54.000 0.049 0.000 0.897 672 D CB 0.914 41.737 40.800 0.039 0.000 1.197 672 D HN -0.001 nan 8.370 nan 0.000 0.432 673 P HA 0.039 nan 4.420 nan 0.000 0.263 673 P C -0.411 176.917 177.300 0.046 0.000 1.175 673 P CA 0.477 63.605 63.100 0.047 0.000 0.761 673 P CB 0.385 32.115 31.700 0.049 0.000 0.794 674 R N 0.469 120.999 120.500 0.049 0.000 2.690 674 R HA 0.420 4.760 4.340 -0.001 0.000 0.269 674 R C -1.136 175.203 176.300 0.065 0.000 1.037 674 R CA -1.016 55.114 56.100 0.050 0.000 0.877 674 R CB 1.123 31.449 30.300 0.043 0.000 1.255 674 R HN 0.227 nan 8.270 nan 0.000 0.467 675 E N 1.835 122.074 120.200 0.066 0.000 2.392 675 E HA 0.232 4.582 4.350 -0.001 0.000 0.264 675 E C -0.029 176.630 176.600 0.098 0.000 1.024 675 E CA 0.010 56.463 56.400 0.089 0.000 0.903 675 E CB 0.830 30.567 29.700 0.062 0.000 0.963 675 E HN 0.441 nan 8.360 nan 0.000 0.432 676 I N -1.889 118.774 120.570 0.155 0.000 2.865 676 I HA 0.539 4.708 4.170 -0.001 0.000 0.302 676 I C -0.532 175.734 176.117 0.247 0.000 1.140 676 I CA -0.885 60.508 61.300 0.156 0.000 1.021 676 I CB 2.392 40.456 38.000 0.107 0.000 1.233 676 I HN 0.125 nan 8.210 nan 0.000 0.427 677 S N 4.059 119.875 115.700 0.193 0.000 2.542 677 S HA 0.848 5.318 4.470 -0.001 0.000 0.293 677 S C -0.763 173.958 174.600 0.202 0.000 1.089 677 S CA -0.648 57.680 58.200 0.214 0.000 0.961 677 S CB 1.867 65.145 63.200 0.131 0.000 1.062 677 S HN 0.508 nan 8.310 nan 0.000 0.483 678 L N 1.887 123.253 121.223 0.239 0.000 2.434 678 L HA 0.663 5.002 4.340 -0.001 0.000 0.260 678 L C -0.544 176.420 176.870 0.156 0.000 0.983 678 L CA -0.628 54.324 54.840 0.187 0.000 0.820 678 L CB 2.325 44.510 42.059 0.210 0.000 1.361 678 L HN 0.496 nan 8.230 nan 0.000 0.410 679 R N 1.648 122.216 120.500 0.114 0.000 2.533 679 R HA 0.703 5.043 4.340 -0.001 0.000 0.288 679 R C -2.008 174.340 176.300 0.079 0.000 1.039 679 R CA -0.494 55.661 56.100 0.091 0.000 0.909 679 R CB 2.347 32.691 30.300 0.073 0.000 1.195 679 R HN 0.403 nan 8.270 nan 0.000 0.438 680 V N 4.492 124.451 119.914 0.074 0.000 2.435 680 V HA 0.574 4.693 4.120 -0.001 0.000 0.290 680 V C 1.039 177.165 176.094 0.053 0.000 1.030 680 V CA 0.584 62.923 62.300 0.065 0.000 0.881 680 V CB 1.137 33.001 31.823 0.068 0.000 0.983 680 V HN 1.119 nan 8.190 nan 0.000 0.445 681 G N 5.319 114.149 108.800 0.049 0.000 2.582 681 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.288 681 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.288 681 G C 0.318 175.239 174.900 0.036 0.000 1.247 681 G CA 0.841 45.966 45.100 0.041 0.000 0.972 681 G HN 0.828 nan 8.290 nan 0.000 0.557 682 N N 1.525 120.242 118.700 0.029 0.000 2.279 682 N HA 0.453 5.192 4.740 -0.001 0.000 0.226 682 N C 0.989 176.511 175.510 0.019 0.000 1.126 682 N CA 0.347 53.410 53.050 0.022 0.000 0.846 682 N CB 0.683 39.181 38.487 0.017 0.000 1.050 682 N HN 0.777 nan 8.380 nan 0.000 0.502 683 G N 1.166 109.981 108.800 0.025 0.000 2.509 683 G HA2 0.280 4.239 3.960 -0.001 0.000 0.269 683 G HA3 0.280 4.239 3.960 -0.001 0.000 0.269 683 G C -2.357 172.555 174.900 0.019 0.000 1.416 683 G CA -0.892 44.222 45.100 0.023 0.000 1.052 683 G HN -0.049 nan 8.290 nan 0.000 0.542 684 P HA 0.214 nan 4.420 nan 0.000 0.272 684 P C -0.523 176.794 177.300 0.028 0.000 1.230 684 P CA 0.056 63.160 63.100 0.008 0.000 0.788 684 P CB 0.870 32.572 31.700 0.003 0.000 0.949 685 T N 2.723 117.290 114.554 0.021 0.000 2.767 685 T HA 0.454 4.803 4.350 -0.001 0.000 0.284 685 T C 0.029 174.758 174.700 0.048 0.000 0.973 685 T CA -0.367 61.766 62.100 0.056 0.000 0.996 685 T CB 0.113 69.024 68.868 0.071 0.000 0.927 685 T HN 0.176 nan 8.240 nan 0.000 0.456 686 L N 2.720 123.980 121.223 0.062 0.000 2.322 686 L HA 0.764 5.103 4.340 -0.001 0.000 0.281 686 L C 0.195 177.006 176.870 -0.099 0.000 1.014 686 L CA -1.162 53.636 54.840 -0.070 0.000 0.815 686 L CB 1.510 43.516 42.059 -0.089 0.000 1.247 686 L HN 0.640 nan 8.230 nan 0.000 0.421 687 A N 3.309 125.989 122.820 -0.233 0.000 2.324 687 A HA 0.865 5.184 4.320 -0.001 0.000 0.330 687 A C -1.174 176.192 177.584 -0.363 0.000 1.165 687 A CA -0.296 51.661 52.037 -0.133 0.000 0.813 687 A CB 0.755 19.724 19.000 -0.053 0.000 1.197 687 A HN 0.508 nan 8.150 nan 0.000 0.484 688 F N 0.848 120.843 119.950 0.076 0.000 2.546 688 F HA 0.521 5.047 4.527 -0.001 0.000 0.320 688 F C 1.094 176.944 175.800 0.083 0.000 1.076 688 F CA -0.305 57.757 58.000 0.102 0.000 0.928 688 F CB 2.158 41.221 39.000 0.104 0.000 1.189 688 F HN 0.682 nan 8.300 nan 0.000 0.465 689 S N 0.110 115.977 115.700 0.277 0.000 2.596 689 S HA 0.079 4.548 4.470 -0.001 0.000 0.260 689 S C 1.059 175.765 174.600 0.177 0.000 1.336 689 S CA -0.036 58.273 58.200 0.182 0.000 0.993 689 S CB 0.657 63.965 63.200 0.181 0.000 0.923 689 S HN 0.858 nan 8.310 nan 0.000 0.567 690 E N -0.123 120.148 120.200 0.118 0.000 2.409 690 E HA -0.201 4.148 4.350 -0.001 0.000 0.198 690 E C 1.293 177.954 176.600 0.102 0.000 1.024 690 E CA 1.006 57.465 56.400 0.097 0.000 0.861 690 E CB -0.414 29.327 29.700 0.069 0.000 0.788 690 E HN 0.784 nan 8.360 nan 0.000 0.521 691 Q N -0.012 119.864 119.800 0.127 0.000 2.320 691 Q HA 0.209 4.548 4.340 -0.001 0.000 0.201 691 Q C 0.833 176.921 176.000 0.148 0.000 0.910 691 Q CA 0.403 56.280 55.803 0.123 0.000 0.946 691 Q CB 0.966 29.780 28.738 0.126 0.000 1.062 691 Q HN 0.479 nan 8.270 nan 0.000 0.503 692 G N 0.581 109.490 108.800 0.182 0.000 2.136 692 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.242 692 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.242 692 G C -0.273 174.850 174.900 0.371 0.000 0.989 692 G CA -0.158 45.055 45.100 0.188 0.000 0.682 692 G HN 0.263 nan 8.290 nan 0.000 0.522 693 L N -0.092 121.391 121.223 0.433 0.000 2.317 693 L HA 0.663 5.002 4.340 -0.001 0.000 0.281 693 L C 0.819 177.991 176.870 0.503 0.000 1.024 693 L CA -1.390 53.748 54.840 0.497 0.000 0.810 693 L CB 1.584 43.833 42.059 0.317 0.000 1.240 693 L HN 0.137 nan 8.230 nan 0.000 0.427 694 L N 3.548 125.048 121.223 0.461 0.000 2.559 694 L HA -0.073 4.266 4.340 -0.001 0.000 0.282 694 L C 1.088 178.029 176.870 0.118 0.000 1.232 694 L CA 0.969 55.820 54.840 0.020 0.000 0.885 694 L CB 0.159 42.260 42.059 0.069 0.000 1.131 694 L HN 0.805 nan 8.230 nan 0.000 0.498 695 K N 1.425 121.800 120.400 -0.041 0.000 2.474 695 K HA 0.312 4.632 4.320 -0.001 0.000 0.204 695 K C -0.083 176.464 176.600 -0.088 0.000 1.220 695 K CA 0.330 56.618 56.287 0.001 0.000 0.966 695 K CB 0.432 32.910 32.500 -0.038 0.000 1.049 695 K HN 0.609 nan 8.250 nan 0.000 0.554 696 S N 0.354 115.974 115.700 -0.134 0.000 2.565 696 S HA 0.577 5.047 4.470 -0.001 0.000 0.269 696 S C -1.123 173.418 174.600 -0.097 0.000 1.153 696 S CA -1.010 57.134 58.200 -0.093 0.000 0.835 696 S CB 1.298 64.487 63.200 -0.017 0.000 1.122 696 S HN 0.181 nan 8.310 nan 0.000 0.462 697 I N 1.507 122.037 120.570 -0.068 0.000 2.466 697 I HA 0.452 4.621 4.170 -0.001 0.000 0.289 697 I C -0.530 175.552 176.117 -0.058 0.000 1.026 697 I CA -0.394 60.868 61.300 -0.063 0.000 1.078 697 I CB 2.109 40.062 38.000 -0.078 0.000 1.249 697 I HN 0.726 nan 8.210 nan 0.000 0.429 698 Q N 6.005 125.763 119.800 -0.069 0.000 2.368 698 Q HA 0.414 4.753 4.340 -0.001 0.000 0.263 698 Q C 0.057 175.994 176.000 -0.106 0.000 1.009 698 Q CA -0.507 55.197 55.803 -0.165 0.000 0.818 698 Q CB 1.684 30.215 28.738 -0.345 0.000 1.239 698 Q HN 0.777 nan 8.270 nan 0.000 0.464 699 L N 2.032 123.198 121.223 -0.095 0.000 2.056 699 L HA -0.023 4.316 4.340 -0.001 0.000 0.207 699 L C 1.237 178.075 176.870 -0.054 0.000 1.078 699 L CA 1.280 56.083 54.840 -0.063 0.000 0.749 699 L CB -0.243 41.782 42.059 -0.058 0.000 0.901 699 L HN 0.674 nan 8.230 nan 0.000 0.433 700 T N -6.029 108.484 114.554 -0.069 0.000 2.864 700 T HA 0.217 4.567 4.350 -0.001 0.000 0.289 700 T C 0.456 175.117 174.700 -0.065 0.000 1.082 700 T CA -0.817 61.252 62.100 -0.052 0.000 1.009 700 T CB 1.611 70.454 68.868 -0.042 0.000 1.234 700 T HN -0.011 nan 8.240 nan 0.000 0.526 701 Q N 0.035 119.811 119.800 -0.040 0.000 2.170 701 Q HA -0.101 4.239 4.340 -0.001 0.000 0.203 701 Q C 0.875 176.848 176.000 -0.044 0.000 0.976 701 Q CA 1.611 57.395 55.803 -0.032 0.000 0.858 701 Q CB -0.114 28.618 28.738 -0.010 0.000 0.907 701 Q HN 0.644 nan 8.270 nan 0.000 0.433 702 D N 0.312 120.685 120.400 -0.045 0.000 2.367 702 D HA 0.010 4.649 4.640 -0.001 0.000 0.207 702 D C 0.762 177.025 176.300 -0.062 0.000 1.034 702 D CA 0.270 54.246 54.000 -0.040 0.000 0.861 702 D CB 0.282 41.067 40.800 -0.025 0.000 0.943 702 D HN 0.118 nan 8.370 nan 0.000 0.515 703 S N 1.037 116.680 115.700 -0.094 0.000 2.632 703 S HA 0.454 4.924 4.470 -0.001 0.000 0.267 703 S C -2.593 171.911 174.600 -0.160 0.000 1.276 703 S CA -1.214 56.923 58.200 -0.104 0.000 0.998 703 S CB 1.328 64.470 63.200 -0.097 0.000 0.953 703 S HN -0.240 nan 8.310 nan 0.000 0.547 704 P HA 0.152 nan 4.420 nan 0.000 0.269 704 P C -0.577 176.617 177.300 -0.177 0.000 1.215 704 P CA -0.125 62.918 63.100 -0.094 0.000 0.780 704 P CB 0.124 31.807 31.700 -0.028 0.000 0.898 705 H N 0.805 119.861 119.070 -0.024 0.000 3.067 705 H HA 0.128 4.683 4.556 -0.001 0.000 0.265 705 H C -0.148 175.149 175.328 -0.052 0.000 1.234 705 H CA -0.256 55.769 56.048 -0.038 0.000 1.452 705 H CB -0.211 29.530 29.762 -0.033 0.000 1.527 705 H HN 0.107 nan 8.280 nan 0.000 0.486 706 V N 6.943 126.855 119.914 -0.002 0.000 2.470 706 V HA 0.048 4.167 4.120 -0.001 0.000 0.276 706 V C -1.855 174.190 176.094 -0.082 0.000 1.040 706 V CA -1.486 60.789 62.300 -0.041 0.000 1.008 706 V CB 0.679 32.466 31.823 -0.060 0.000 0.990 706 V HN 0.532 nan 8.190 nan 0.000 0.477 707 P HA 0.157 nan 4.420 nan 0.000 0.266 707 P C -0.796 176.361 177.300 -0.238 0.000 1.215 707 P CA 0.272 63.233 63.100 -0.231 0.000 0.763 707 P CB 0.442 31.858 31.700 -0.475 0.000 0.806 708 V N 4.309 124.114 119.914 -0.181 0.000 2.509 708 V HA 0.233 4.353 4.120 -0.001 0.000 0.289 708 V C -0.788 175.209 176.094 -0.161 0.000 1.026 708 V CA -0.425 61.752 62.300 -0.204 0.000 0.872 708 V CB 1.202 32.892 31.823 -0.221 0.000 1.017 708 V HN 0.535 nan 8.190 nan 0.000 0.436 709 H N 4.321 123.229 119.070 -0.270 0.000 2.539 709 H HA 0.617 5.172 4.556 -0.001 0.000 0.332 709 H C -1.164 174.044 175.328 -0.200 0.000 1.031 709 H CA -0.854 55.083 56.048 -0.185 0.000 1.206 709 H CB 1.102 30.797 29.762 -0.111 0.000 1.446 709 H HN 0.459 nan 8.280 nan 0.000 0.496 710 F N 4.281 123.942 119.950 -0.481 0.000 2.412 710 F HA 0.301 4.827 4.527 -0.001 0.000 0.348 710 F C 0.538 175.850 175.800 -0.814 0.000 1.102 710 F CA 0.034 57.708 58.000 -0.544 0.000 1.196 710 F CB 0.782 39.578 39.000 -0.339 0.000 1.144 710 F HN 0.384 nan 8.300 nan 0.000 0.541 711 K N 3.710 123.864 120.400 -0.411 0.000 2.523 711 K HA 0.450 4.770 4.320 -0.001 0.000 0.257 711 K C -1.906 174.433 176.600 -0.435 0.000 0.932 711 K CA -0.634 55.451 56.287 -0.337 0.000 0.812 711 K CB 1.407 33.780 32.500 -0.210 0.000 1.326 711 K HN 0.414 nan 8.250 nan 0.000 0.433 712 F N 3.986 123.866 119.950 -0.116 0.000 2.436 712 F HA 0.489 5.015 4.527 -0.001 0.000 0.340 712 F C -0.336 175.426 175.800 -0.062 0.000 1.113 712 F CA -0.599 57.346 58.000 -0.092 0.000 1.022 712 F CB 1.143 40.076 39.000 -0.113 0.000 1.128 712 F HN 0.231 nan 8.300 nan 0.000 0.466 713 L N 2.744 124.018 121.223 0.086 0.000 2.277 713 L HA 0.635 4.974 4.340 -0.001 0.000 0.254 713 L C -1.112 175.759 176.870 0.000 0.000 1.044 713 L CA -1.001 53.838 54.840 -0.002 0.000 0.842 713 L CB 2.294 44.289 42.059 -0.107 0.000 1.422 713 L HN 0.499 nan 8.230 nan 0.000 0.422 714 K N -0.371 119.991 120.400 -0.063 0.000 2.427 714 K HA 0.639 4.959 4.320 -0.001 0.000 0.252 714 K C -1.766 174.777 176.600 -0.095 0.000 0.931 714 K CA -0.786 55.494 56.287 -0.012 0.000 0.793 714 K CB 1.692 34.218 32.500 0.043 0.000 1.211 714 K HN 0.281 nan 8.250 nan 0.000 0.426 715 Y N 0.607 120.973 120.300 0.110 0.000 2.376 715 Y HA 0.511 5.061 4.550 -0.001 0.000 0.325 715 Y C 1.029 176.992 175.900 0.104 0.000 1.199 715 Y CA -0.105 58.071 58.100 0.127 0.000 1.206 715 Y CB 2.174 40.775 38.460 0.236 0.000 1.229 715 Y HN 0.916 nan 8.280 nan 0.000 0.480 716 G N 0.499 109.451 108.800 0.253 0.000 2.971 716 G HA2 0.633 4.592 3.960 -0.001 0.000 0.235 716 G HA3 0.633 4.592 3.960 -0.001 0.000 0.235 716 G C -1.478 173.500 174.900 0.130 0.000 1.351 716 G CA -0.720 44.473 45.100 0.155 0.000 1.039 716 G HN 0.431 nan 8.290 nan 0.000 0.563 717 V N -0.142 119.819 119.914 0.078 0.000 2.864 717 V HA 0.470 4.589 4.120 -0.001 0.000 0.314 717 V C -0.046 176.056 176.094 0.014 0.000 1.073 717 V CA -0.875 61.450 62.300 0.042 0.000 0.956 717 V CB 1.946 33.795 31.823 0.044 0.000 1.023 717 V HN 0.680 nan 8.190 nan 0.000 0.435 718 R N 1.310 121.794 120.500 -0.026 0.000 2.543 718 R HA 0.195 4.535 4.340 -0.001 0.000 0.277 718 R C 1.216 177.503 176.300 -0.021 0.000 1.074 718 R CA 0.436 56.503 56.100 -0.056 0.000 1.076 718 R CB 0.612 30.822 30.300 -0.150 0.000 0.993 718 R HN 0.919 nan 8.270 nan 0.000 0.459 719 S N 1.110 116.827 115.700 0.027 0.000 2.501 719 S HA -0.058 4.412 4.470 -0.001 0.000 0.220 719 S C 0.319 174.994 174.600 0.124 0.000 0.997 719 S CA 0.120 58.366 58.200 0.076 0.000 0.919 719 S CB -0.309 62.953 63.200 0.103 0.000 0.778 719 S HN 0.845 nan 8.310 nan 0.000 0.523 720 H N -2.218 116.852 119.070 -0.001 0.000 2.895 720 H HA 0.730 5.285 4.556 -0.001 0.000 0.373 720 H C 0.525 175.849 175.328 -0.008 0.000 1.174 720 H CA -0.439 55.606 56.048 -0.004 0.000 1.144 720 H CB 1.168 30.928 29.762 -0.003 0.000 1.793 720 H HN 0.352 nan 8.280 nan 0.000 0.551 721 G N 1.486 110.261 108.800 -0.041 0.000 2.512 721 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.240 721 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.240 721 G C -1.063 173.787 174.900 -0.084 0.000 1.246 721 G CA -0.062 44.985 45.100 -0.088 0.000 0.919 721 G HN 0.869 nan 8.290 nan 0.000 0.577 722 D N 1.843 122.186 120.400 -0.095 0.000 2.350 722 D HA 0.498 5.138 4.640 -0.001 0.000 0.249 722 D C 0.854 177.108 176.300 -0.078 0.000 1.119 722 D CA 0.066 54.021 54.000 -0.076 0.000 0.886 722 D CB 0.650 41.405 40.800 -0.074 0.000 1.195 722 D HN 0.407 nan 8.370 nan 0.000 0.437 723 R N 1.165 121.633 120.500 -0.055 0.000 2.474 723 R HA 0.349 4.689 4.340 -0.001 0.000 0.295 723 R C 0.053 176.334 176.300 -0.031 0.000 0.980 723 R CA -0.689 55.389 56.100 -0.038 0.000 0.934 723 R CB 0.956 31.246 30.300 -0.016 0.000 1.101 723 R HN 0.280 nan 8.270 nan 0.000 0.469 724 S N 0.280 115.973 115.700 -0.012 0.000 2.563 724 S HA 0.398 4.868 4.470 -0.001 0.000 0.284 724 S C 0.655 175.270 174.600 0.025 0.000 1.331 724 S CA 0.238 58.449 58.200 0.019 0.000 1.047 724 S CB 0.930 64.175 63.200 0.075 0.000 0.859 724 S HN 0.771 nan 8.310 nan 0.000 0.514 725 G N -0.085 108.733 108.800 0.029 0.000 2.846 725 G HA2 0.588 4.547 3.960 -0.001 0.000 0.299 725 G HA3 0.588 4.547 3.960 -0.001 0.000 0.299 725 G C 0.557 175.482 174.900 0.042 0.000 1.242 725 G CA -0.123 45.003 45.100 0.044 0.000 0.800 725 G HN 0.707 nan 8.290 nan 0.000 0.538 726 A N -1.258 121.581 122.820 0.032 0.000 1.978 726 A HA 0.061 4.381 4.320 -0.001 0.000 0.220 726 A C 1.922 179.436 177.584 -0.118 0.000 1.170 726 A CA 2.063 54.064 52.037 -0.061 0.000 0.636 726 A CB -0.628 18.277 19.000 -0.158 0.000 0.810 726 A HN 0.590 nan 8.150 nan 0.000 0.448 727 Y N -0.876 119.365 120.300 -0.098 0.000 2.301 727 Y HA 0.346 4.896 4.550 -0.001 0.000 0.295 727 Y C 0.897 176.686 175.900 -0.185 0.000 1.126 727 Y CA 0.059 58.030 58.100 -0.215 0.000 1.154 727 Y CB -0.115 37.881 38.460 -0.773 0.000 1.075 727 Y HN 0.026 nan 8.280 nan 0.000 0.534 728 L N 0.348 121.528 121.223 -0.073 0.000 2.325 728 L HA 0.236 4.575 4.340 -0.001 0.000 0.279 728 L C -0.989 175.923 176.870 0.071 0.000 1.054 728 L CA -0.425 54.368 54.840 -0.078 0.000 0.804 728 L CB 1.292 43.247 42.059 -0.174 0.000 1.200 728 L HN 0.092 nan 8.230 nan 0.000 0.436 729 F N 4.674 124.559 119.950 -0.109 0.000 2.375 729 F HA 0.480 5.006 4.527 -0.001 0.000 0.361 729 F C -0.663 175.050 175.800 -0.145 0.000 1.117 729 F CA -0.746 57.152 58.000 -0.169 0.000 1.037 729 F CB 0.692 39.525 39.000 -0.278 0.000 1.192 729 F HN 0.305 nan 8.300 nan 0.000 0.452 730 L N 8.926 130.013 121.223 -0.226 0.000 2.556 730 L HA 0.343 4.683 4.340 -0.001 0.000 0.243 730 L C -2.331 174.338 176.870 -0.335 0.000 1.331 730 L CA -1.870 52.790 54.840 -0.300 0.000 0.927 730 L CB 0.865 42.840 42.059 -0.140 0.000 1.219 730 L HN 0.412 nan 8.230 nan 0.000 0.490 731 P HA 0.048 nan 4.420 nan 0.000 0.272 731 P C -0.487 176.727 177.300 -0.143 0.000 1.223 731 P CA -0.314 62.585 63.100 -0.336 0.000 0.784 731 P CB 0.592 31.970 31.700 -0.536 0.000 0.923 732 N N 1.076 119.767 118.700 -0.014 0.000 3.250 732 N HA 0.271 5.011 4.740 -0.001 0.000 0.307 732 N C 0.680 176.210 175.510 0.033 0.000 1.355 732 N CA -0.155 52.895 53.050 -0.001 0.000 1.192 732 N CB -0.876 37.623 38.487 0.021 0.000 1.478 732 N HN 0.742 nan 8.380 nan 0.000 0.543 733 G N 0.707 109.520 108.800 0.022 0.000 2.655 733 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.680 733 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.680 733 G C -3.029 171.950 174.900 0.132 0.000 1.302 733 G CA -1.107 44.023 45.100 0.050 0.000 0.872 733 G HN 0.369 nan 8.290 nan 0.000 0.540 734 P HA 0.439 nan 4.420 nan 0.000 0.267 734 P C 0.542 177.814 177.300 -0.047 0.000 1.201 734 P CA 0.713 63.879 63.100 0.111 0.000 0.775 734 P CB 0.372 32.102 31.700 0.050 0.000 0.854 735 A N 2.253 124.858 122.820 -0.359 0.000 2.483 735 A HA 0.423 4.742 4.320 -0.001 0.000 0.238 735 A C 0.414 177.854 177.584 -0.240 0.000 1.070 735 A CA 0.168 51.835 52.037 -0.616 0.000 0.770 735 A CB -0.395 17.983 19.000 -1.037 0.000 1.008 735 A HN 0.569 nan 8.150 nan 0.000 0.497 736 S N 1.713 117.313 115.700 -0.167 0.000 2.501 736 S HA 0.682 5.151 4.470 -0.001 0.000 0.301 736 S C -2.989 171.581 174.600 -0.051 0.000 1.096 736 S CA -1.700 56.456 58.200 -0.072 0.000 1.063 736 S CB 1.332 64.513 63.200 -0.032 0.000 1.042 736 S HN 0.441 nan 8.310 nan 0.000 0.494 737 P HA 0.092 nan 4.420 nan 0.000 0.265 737 P C -0.555 176.759 177.300 0.023 0.000 1.193 737 P CA -0.271 62.834 63.100 0.008 0.000 0.765 737 P CB 0.292 32.007 31.700 0.024 0.000 0.823 738 V N 4.368 124.309 119.914 0.046 0.000 2.585 738 V HA -0.018 4.102 4.120 -0.001 0.000 0.296 738 V C 0.993 177.112 176.094 0.041 0.000 1.035 738 V CA 0.180 62.508 62.300 0.046 0.000 1.084 738 V CB -0.135 31.724 31.823 0.061 0.000 0.953 738 V HN 0.481 nan 8.190 nan 0.000 0.483 739 E N 5.138 125.357 120.200 0.031 0.000 2.265 739 E HA 0.131 4.480 4.350 -0.001 0.000 0.272 739 E C 0.588 177.203 176.600 0.025 0.000 1.067 739 E CA 0.011 56.429 56.400 0.030 0.000 0.900 739 E CB 1.147 30.863 29.700 0.027 0.000 1.017 739 E HN 0.550 nan 8.360 nan 0.000 0.431 740 L N 1.925 123.166 121.223 0.030 0.000 2.416 740 L HA 0.083 4.422 4.340 -0.001 0.000 0.216 740 L C 1.440 178.323 176.870 0.021 0.000 1.098 740 L CA 0.538 55.391 54.840 0.022 0.000 0.840 740 L CB -0.431 41.651 42.059 0.038 0.000 0.981 740 L HN 0.774 nan 8.230 nan 0.000 0.462 741 G N 0.901 109.717 108.800 0.027 0.000 2.574 741 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.286 741 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.286 741 G C 0.020 174.939 174.900 0.031 0.000 1.212 741 G CA -0.059 45.057 45.100 0.027 0.000 0.979 741 G HN 0.399 nan 8.290 nan 0.000 0.557 742 Q N 1.685 121.504 119.800 0.031 0.000 2.700 742 Q HA 0.401 4.741 4.340 -0.001 0.000 0.249 742 Q C -2.268 173.757 176.000 0.042 0.000 1.033 742 Q CA -1.453 54.372 55.803 0.037 0.000 0.804 742 Q CB 1.897 30.654 28.738 0.033 0.000 1.164 742 Q HN 0.571 nan 8.270 nan 0.000 0.500 743 P HA 0.102 nan 4.420 nan 0.000 0.274 743 P C -0.302 177.049 177.300 0.085 0.000 1.231 743 P CA -0.355 62.777 63.100 0.053 0.000 0.790 743 P CB 1.104 32.819 31.700 0.026 0.000 0.951 744 V N 2.213 122.211 119.914 0.140 0.000 2.530 744 V HA 0.135 4.255 4.120 -0.001 0.000 0.282 744 V C 0.509 176.747 176.094 0.240 0.000 1.048 744 V CA -0.216 62.194 62.300 0.184 0.000 0.997 744 V CB 1.199 33.163 31.823 0.234 0.000 0.987 744 V HN 0.261 nan 8.190 nan 0.000 0.477 745 V N 6.293 126.294 119.914 0.145 0.000 2.495 745 V HA 0.484 4.604 4.120 -0.001 0.000 0.298 745 V C -0.448 175.665 176.094 0.032 0.000 1.031 745 V CA -0.640 61.724 62.300 0.108 0.000 0.871 745 V CB 1.725 33.572 31.823 0.040 0.000 0.988 745 V HN 0.668 nan 8.190 nan 0.000 0.432 746 L N 6.526 127.763 121.223 0.024 0.000 2.325 746 L HA 0.731 5.071 4.340 -0.001 0.000 0.281 746 L C -0.658 176.099 176.870 -0.188 0.000 1.004 746 L CA -0.024 54.707 54.840 -0.182 0.000 0.823 746 L CB 1.783 43.638 42.059 -0.341 0.000 1.236 746 L HN 0.442 nan 8.230 nan 0.000 0.415 747 V N 4.040 123.833 119.914 -0.201 0.000 2.384 747 V HA 0.549 4.669 4.120 -0.001 0.000 0.287 747 V C -0.011 176.014 176.094 -0.115 0.000 1.020 747 V CA -0.405 61.800 62.300 -0.159 0.000 0.850 747 V CB 1.530 33.276 31.823 -0.127 0.000 0.987 747 V HN 0.837 nan 8.190 nan 0.000 0.436 748 T N 5.315 119.829 114.554 -0.066 0.000 2.779 748 T HA 0.441 4.790 4.350 -0.001 0.000 0.280 748 T C -0.388 174.341 174.700 0.047 0.000 0.987 748 T CA -0.568 61.548 62.100 0.028 0.000 0.966 748 T CB 1.184 70.108 68.868 0.092 0.000 0.933 748 T HN 0.641 nan 8.240 nan 0.000 0.442 749 K N 2.368 122.813 120.400 0.075 0.000 2.450 749 K HA 0.670 4.989 4.320 -0.001 0.000 0.257 749 K C -0.376 176.284 176.600 0.100 0.000 0.953 749 K CA -0.572 55.760 56.287 0.075 0.000 0.844 749 K CB 1.011 33.548 32.500 0.062 0.000 1.103 749 K HN 0.801 nan 8.250 nan 0.000 0.429 750 G N 2.147 111.003 108.800 0.094 0.000 2.658 750 G HA2 0.206 4.165 3.960 -0.001 0.000 0.292 750 G HA3 0.206 4.165 3.960 -0.001 0.000 0.292 750 G C -0.019 174.926 174.900 0.076 0.000 1.320 750 G CA -0.558 44.599 45.100 0.095 0.000 0.933 750 G HN 0.468 nan 8.290 nan 0.000 0.476 751 K N -0.216 120.224 120.400 0.068 0.000 2.097 751 K HA 0.071 4.390 4.320 -0.001 0.000 0.205 751 K C 2.108 178.744 176.600 0.060 0.000 1.050 751 K CA 0.906 57.229 56.287 0.059 0.000 0.938 751 K CB -0.160 32.371 32.500 0.052 0.000 0.718 751 K HN 0.421 nan 8.250 nan 0.000 0.442 752 L N -0.561 120.699 121.223 0.062 0.000 2.357 752 L HA 0.165 4.505 4.340 -0.001 0.000 0.211 752 L C 0.768 177.674 176.870 0.060 0.000 1.075 752 L CA 0.128 55.005 54.840 0.061 0.000 0.830 752 L CB 0.355 42.452 42.059 0.064 0.000 0.996 752 L HN 0.125 nan 8.230 nan 0.000 0.467 753 E N -0.343 119.898 120.200 0.067 0.000 2.321 753 E HA 0.399 4.748 4.350 -0.001 0.000 0.281 753 E C -1.505 175.141 176.600 0.077 0.000 0.910 753 E CA -0.220 56.221 56.400 0.068 0.000 0.770 753 E CB 2.169 31.908 29.700 0.065 0.000 1.225 753 E HN -0.126 nan 8.360 nan 0.000 0.417 754 S N 1.173 116.916 115.700 0.072 0.000 2.634 754 S HA 0.797 5.266 4.470 -0.001 0.000 0.296 754 S C -1.331 173.297 174.600 0.048 0.000 1.104 754 S CA -0.674 57.565 58.200 0.065 0.000 0.920 754 S CB 1.799 65.039 63.200 0.067 0.000 1.111 754 S HN 0.627 nan 8.310 nan 0.000 0.493 755 S N -0.211 115.494 115.700 0.008 0.000 2.565 755 S HA 0.724 5.193 4.470 -0.001 0.000 0.269 755 S C -1.729 172.783 174.600 -0.147 0.000 1.153 755 S CA -0.748 57.430 58.200 -0.038 0.000 0.835 755 S CB 1.022 64.222 63.200 -0.001 0.000 1.122 755 S HN 0.464 nan 8.310 nan 0.000 0.462 756 V N 1.878 121.639 119.914 -0.255 0.000 2.444 756 V HA 0.741 4.860 4.120 -0.001 0.000 0.294 756 V C -0.451 175.507 176.094 -0.227 0.000 1.022 756 V CA -0.384 61.693 62.300 -0.371 0.000 0.850 756 V CB 1.565 32.843 31.823 -0.908 0.000 0.992 756 V HN 0.992 nan 8.190 nan 0.000 0.426 757 S N 3.174 118.799 115.700 -0.125 0.000 2.513 757 S HA 0.795 5.265 4.470 -0.001 0.000 0.299 757 S C -0.851 173.692 174.600 -0.095 0.000 1.087 757 S CA -0.635 57.504 58.200 -0.101 0.000 1.012 757 S CB 2.180 65.424 63.200 0.073 0.000 1.044 757 S HN 0.659 nan 8.310 nan 0.000 0.485 758 V N 1.961 121.692 119.914 -0.305 0.000 2.760 758 V HA 0.795 4.915 4.120 -0.001 0.000 0.309 758 V C -0.073 175.646 176.094 -0.625 0.000 1.077 758 V CA -0.418 61.708 62.300 -0.290 0.000 0.910 758 V CB 1.764 33.554 31.823 -0.056 0.000 1.008 758 V HN 0.999 nan 8.190 nan 0.000 0.424 759 G N 7.045 115.478 108.800 -0.612 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 -0.556 174.205 174.900 -0.231 0.000 0.984 759 G CA -0.311 44.481 45.100 -0.514 0.000 1.183 759 G HN 0.699 nan 8.290 nan 0.000 0.443 760 L N 2.790 123.848 121.223 -0.275 0.000 2.387 760 L HA 0.407 4.746 4.340 -0.001 0.000 0.266 760 L C -2.055 174.710 176.870 -0.176 0.000 1.059 760 L CA -2.449 52.262 54.840 -0.214 0.000 0.801 760 L CB 1.937 43.802 42.059 -0.323 0.000 1.223 760 L HN 0.196 nan 8.230 nan 0.000 0.456 761 P HA 0.058 nan 4.420 nan 0.000 0.266 761 P C 0.026 177.265 177.300 -0.102 0.000 1.215 761 P CA 0.471 63.536 63.100 -0.058 0.000 0.763 761 P CB 0.881 32.569 31.700 -0.021 0.000 0.806 762 S N -0.280 115.383 115.700 -0.061 0.000 2.769 762 S HA -0.144 4.326 4.470 -0.001 0.000 0.264 762 S C 0.180 174.693 174.600 -0.144 0.000 1.288 762 S CA 1.159 59.315 58.200 -0.073 0.000 1.378 762 S CB -1.630 61.540 63.200 -0.051 0.000 1.702 762 S HN 0.543 nan 8.310 nan 0.000 0.656 763 V N 1.623 121.389 119.914 -0.246 0.000 2.697 763 V HA 0.561 4.680 4.120 -0.001 0.000 0.300 763 V C -0.862 175.013 176.094 -0.366 0.000 1.115 763 V CA -0.574 61.532 62.300 -0.323 0.000 0.912 763 V CB 2.102 33.606 31.823 -0.531 0.000 1.024 763 V HN 0.156 nan 8.190 nan 0.000 0.431 764 V N 7.400 127.110 119.914 -0.339 0.000 2.389 764 V HA 0.371 4.491 4.120 -0.001 0.000 0.264 764 V C 0.223 176.115 176.094 -0.337 0.000 1.049 764 V CA -0.301 61.696 62.300 -0.505 0.000 0.932 764 V CB 0.711 32.133 31.823 -0.668 0.000 1.011 764 V HN 0.896 nan 8.190 nan 0.000 0.475 765 H N 5.850 124.669 119.070 -0.418 0.000 2.488 765 H HA 0.498 5.054 4.556 -0.001 0.000 0.322 765 H C -0.681 174.532 175.328 -0.192 0.000 1.078 765 H CA -0.482 55.424 56.048 -0.237 0.000 1.260 765 H CB 1.479 31.138 29.762 -0.172 0.000 1.425 765 H HN 0.701 nan 8.280 nan 0.000 0.471 766 Q N 3.899 123.402 119.800 -0.495 0.000 2.356 766 Q HA 0.318 4.657 4.340 -0.001 0.000 0.270 766 Q C -1.471 174.312 176.000 -0.361 0.000 1.058 766 Q CA -0.868 54.725 55.803 -0.349 0.000 0.802 766 Q CB 2.038 30.678 28.738 -0.162 0.000 1.303 766 Q HN 0.641 nan 8.270 nan 0.000 0.444 767 T N 4.527 118.962 114.554 -0.199 0.000 2.786 767 T HA 0.540 4.890 4.350 -0.001 0.000 0.283 767 T C -0.477 174.250 174.700 0.045 0.000 0.992 767 T CA -0.352 61.750 62.100 0.002 0.000 0.954 767 T CB 0.360 69.391 68.868 0.271 0.000 0.934 767 T HN 0.453 nan 8.240 nan 0.000 0.440 768 I N 3.647 124.257 120.570 0.068 0.000 2.433 768 I HA 0.495 4.665 4.170 -0.001 0.000 0.292 768 I C -0.312 175.860 176.117 0.092 0.000 1.001 768 I CA -0.783 60.557 61.300 0.066 0.000 1.119 768 I CB 1.776 39.805 38.000 0.048 0.000 1.289 768 I HN 0.392 nan 8.210 nan 0.000 0.438 769 M N 5.940 125.595 119.600 0.091 0.000 2.253 769 M HA 0.478 4.957 4.480 -0.001 0.000 0.314 769 M C 0.195 176.539 176.300 0.072 0.000 1.019 769 M CA -0.290 55.067 55.300 0.094 0.000 0.932 769 M CB 2.089 34.760 32.600 0.119 0.000 1.606 769 M HN 0.472 nan 8.290 nan 0.000 0.430 770 R N 1.181 121.718 120.500 0.061 0.000 2.572 770 R HA 0.361 4.700 4.340 -0.001 0.000 0.370 770 R C 0.793 177.121 176.300 0.047 0.000 1.005 770 R CA 0.240 56.370 56.100 0.050 0.000 1.146 770 R CB 1.112 31.434 30.300 0.037 0.000 1.390 770 R HN 1.134 nan 8.270 nan 0.000 0.553 771 G N -0.311 108.519 108.800 0.051 0.000 2.231 771 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.206 771 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.206 771 G C 0.296 175.218 174.900 0.037 0.000 0.996 771 G CA -0.384 44.743 45.100 0.044 0.000 0.645 771 G HN 0.516 nan 8.290 nan 0.000 0.498 772 G N -0.049 108.773 108.800 0.038 0.000 3.252 772 G HA2 0.797 4.756 3.960 -0.001 0.000 0.181 772 G HA3 0.797 4.756 3.960 -0.001 0.000 0.181 772 G C 0.456 175.377 174.900 0.036 0.000 1.187 772 G CA 0.412 45.530 45.100 0.030 0.000 0.886 772 G HN 1.518 nan 8.290 nan 0.000 0.615 773 A N 1.399 124.238 122.820 0.032 0.000 2.540 773 A HA 0.520 4.839 4.320 -0.001 0.000 0.239 773 A C -1.752 175.871 177.584 0.064 0.000 1.061 773 A CA -0.495 51.566 52.037 0.040 0.000 0.758 773 A CB -0.442 18.579 19.000 0.034 0.000 0.991 773 A HN 0.390 nan 8.150 nan 0.000 0.502 774 P HA 0.114 nan 4.420 nan 0.000 0.270 774 P C -0.438 176.935 177.300 0.122 0.000 1.223 774 P CA -0.121 63.046 63.100 0.112 0.000 0.785 774 P CB 0.621 32.411 31.700 0.149 0.000 0.923 775 E N 1.391 121.659 120.200 0.113 0.000 2.191 775 E HA 0.388 4.738 4.350 -0.001 0.000 0.278 775 E C -0.790 175.886 176.600 0.127 0.000 0.972 775 E CA -0.716 55.754 56.400 0.117 0.000 0.804 775 E CB 0.569 30.315 29.700 0.076 0.000 1.110 775 E HN 0.211 nan 8.360 nan 0.000 0.394 776 I N 4.100 124.778 120.570 0.181 0.000 2.404 776 I HA 0.414 4.583 4.170 -0.001 0.000 0.293 776 I C -0.069 176.168 176.117 0.199 0.000 0.992 776 I CA -0.614 60.772 61.300 0.144 0.000 1.149 776 I CB 1.310 39.409 38.000 0.165 0.000 1.315 776 I HN 0.572 nan 8.210 nan 0.000 0.446 777 R N 4.556 125.101 120.500 0.075 0.000 2.561 777 R HA 0.492 4.831 4.340 -0.001 0.000 0.297 777 R C -0.942 175.409 176.300 0.085 0.000 0.969 777 R CA -0.845 55.314 56.100 0.098 0.000 0.879 777 R CB 2.048 32.364 30.300 0.027 0.000 1.178 777 R HN 0.459 nan 8.270 nan 0.000 0.445 778 N N 2.647 121.460 118.700 0.188 0.000 2.443 778 N HA 0.192 4.931 4.740 -0.001 0.000 0.269 778 N C -1.243 174.285 175.510 0.031 0.000 0.985 778 N CA -0.692 52.448 53.050 0.150 0.000 0.921 778 N CB 1.839 40.522 38.487 0.327 0.000 1.195 778 N HN 0.329 nan 8.380 nan 0.000 0.492 779 L N 3.784 124.968 121.223 -0.065 0.000 2.282 779 L HA 0.363 4.702 4.340 -0.001 0.000 0.287 779 L C -0.994 175.813 176.870 -0.105 0.000 1.075 779 L CA -0.422 54.359 54.840 -0.097 0.000 0.839 779 L CB 0.398 42.387 42.059 -0.116 0.000 1.219 779 L HN 0.207 nan 8.230 nan 0.000 0.434 780 V N 4.612 124.465 119.914 -0.101 0.000 2.350 780 V HA 0.385 4.504 4.120 -0.001 0.000 0.276 780 V C -0.454 175.608 176.094 -0.054 0.000 1.028 780 V CA -0.488 61.771 62.300 -0.069 0.000 0.860 780 V CB 1.276 33.085 31.823 -0.022 0.000 0.990 780 V HN 0.683 nan 8.190 nan 0.000 0.453 781 D N 4.011 124.385 120.400 -0.043 0.000 2.375 781 D HA 0.264 4.903 4.640 -0.001 0.000 0.259 781 D C 0.507 176.799 176.300 -0.012 0.000 1.235 781 D CA -0.416 53.569 54.000 -0.026 0.000 0.924 781 D CB 1.412 42.195 40.800 -0.028 0.000 1.143 781 D HN 0.462 nan 8.370 nan 0.000 0.529 782 I N 2.404 122.977 120.570 0.006 0.000 3.001 782 I HA 0.061 4.231 4.170 -0.001 0.000 0.268 782 I C 1.398 177.521 176.117 0.009 0.000 1.267 782 I CA 1.160 62.471 61.300 0.018 0.000 1.472 782 I CB -0.207 37.819 38.000 0.044 0.000 1.089 782 I HN 0.626 nan 8.210 nan 0.000 0.468 783 G N 0.326 109.124 108.800 -0.004 0.000 2.622 783 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.307 783 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.307 783 G C 0.482 175.377 174.900 -0.007 0.000 1.226 783 G CA 0.276 45.365 45.100 -0.018 0.000 0.997 783 G HN 0.361 nan 8.290 nan 0.000 0.551 784 S N 0.750 116.444 115.700 -0.010 0.000 2.526 784 S HA 0.453 4.922 4.470 -0.001 0.000 0.245 784 S C 0.523 175.130 174.600 0.010 0.000 1.103 784 S CA -0.316 57.884 58.200 -0.000 0.000 1.095 784 S CB -0.009 63.186 63.200 -0.008 0.000 0.826 784 S HN 0.488 nan 8.310 nan 0.000 0.468 785 L N 2.544 123.777 121.223 0.018 0.000 2.401 785 L HA 0.261 4.600 4.340 -0.001 0.000 0.283 785 L C -0.221 176.671 176.870 0.037 0.000 1.151 785 L CA -0.404 54.452 54.840 0.028 0.000 0.942 785 L CB -0.184 41.895 42.059 0.033 0.000 1.283 785 L HN 0.085 nan 8.230 nan 0.000 0.442 786 D N 2.831 123.251 120.400 0.034 0.000 2.372 786 D HA 0.035 4.675 4.640 -0.001 0.000 0.243 786 D C 0.559 176.888 176.300 0.047 0.000 1.121 786 D CA 0.259 54.282 54.000 0.038 0.000 0.898 786 D CB 0.417 41.236 40.800 0.031 0.000 1.202 786 D HN 0.314 nan 8.370 nan 0.000 0.428 787 N N 0.753 119.485 118.700 0.053 0.000 2.714 787 N HA -0.179 4.561 4.740 -0.001 0.000 0.253 787 N C -0.983 174.576 175.510 0.081 0.000 1.024 787 N CA 0.847 53.935 53.050 0.063 0.000 0.726 787 N CB -1.132 37.387 38.487 0.053 0.000 0.908 787 N HN 0.280 nan 8.380 nan 0.000 0.542 788 T N 0.499 115.105 114.554 0.088 0.000 2.916 788 T HA 0.393 4.742 4.350 -0.001 0.000 0.298 788 T C -0.316 174.457 174.700 0.121 0.000 1.031 788 T CA -0.726 61.438 62.100 0.106 0.000 0.993 788 T CB 2.283 71.201 68.868 0.083 0.000 1.045 788 T HN 0.038 nan 8.240 nan 0.000 0.454 789 E N 2.468 122.770 120.200 0.169 0.000 2.199 789 E HA 0.413 4.763 4.350 -0.001 0.000 0.265 789 E C -0.672 176.050 176.600 0.203 0.000 0.882 789 E CA -0.932 55.566 56.400 0.163 0.000 0.759 789 E CB 1.859 31.636 29.700 0.129 0.000 1.148 789 E HN 0.326 nan 8.360 nan 0.000 0.412 790 I N 3.027 123.700 120.570 0.171 0.000 2.325 790 I HA 0.218 4.387 4.170 -0.001 0.000 0.291 790 I C 0.086 176.339 176.117 0.228 0.000 1.019 790 I CA -0.537 60.876 61.300 0.189 0.000 1.302 790 I CB 1.118 39.219 38.000 0.168 0.000 1.401 790 I HN 0.290 nan 8.210 nan 0.000 0.485 791 V N 8.324 128.372 119.914 0.223 0.000 2.628 791 V HA 0.508 4.628 4.120 -0.001 0.000 0.306 791 V C -0.298 175.836 176.094 0.068 0.000 1.045 791 V CA -0.809 61.608 62.300 0.195 0.000 0.905 791 V CB 2.255 34.243 31.823 0.275 0.000 0.997 791 V HN 0.770 nan 8.190 nan 0.000 0.436 792 M N 7.193 126.759 119.600 -0.056 0.000 2.129 792 M HA 0.560 5.039 4.480 -0.001 0.000 0.348 792 M C -0.539 175.618 176.300 -0.238 0.000 1.116 792 M CA -0.427 54.617 55.300 -0.426 0.000 1.022 792 M CB 0.606 32.914 32.600 -0.487 0.000 1.599 792 M HN 0.742 nan 8.290 nan 0.000 0.449 793 R N 4.657 125.001 120.500 -0.259 0.000 2.589 793 R HA 0.687 5.026 4.340 -0.001 0.000 0.293 793 R C -1.911 174.289 176.300 -0.167 0.000 0.963 793 R CA -0.617 55.392 56.100 -0.152 0.000 0.905 793 R CB 1.448 31.678 30.300 -0.118 0.000 1.144 793 R HN 0.807 nan 8.270 nan 0.000 0.459 794 L N 3.396 124.502 121.223 -0.194 0.000 2.296 794 L HA 0.410 4.750 4.340 -0.001 0.000 0.286 794 L C -0.513 176.238 176.870 -0.199 0.000 1.023 794 L CA -0.392 54.258 54.840 -0.316 0.000 0.812 794 L CB 1.907 43.734 42.059 -0.386 0.000 1.223 794 L HN 0.605 nan 8.230 nan 0.000 0.421 795 E N 2.200 122.297 120.200 -0.172 0.000 2.145 795 E HA 0.474 4.823 4.350 -0.001 0.000 0.270 795 E C -0.554 175.980 176.600 -0.110 0.000 0.906 795 E CA -0.461 55.892 56.400 -0.078 0.000 0.761 795 E CB 2.056 31.760 29.700 0.007 0.000 1.116 795 E HN 0.609 nan 8.360 nan 0.000 0.408 796 T N -0.995 113.508 114.554 -0.085 0.000 2.831 796 T HA 0.338 4.687 4.350 -0.001 0.000 0.287 796 T C 0.159 174.862 174.700 0.004 0.000 1.070 796 T CA -0.689 61.328 62.100 -0.138 0.000 1.010 796 T CB 1.053 69.862 68.868 -0.099 0.000 1.264 796 T HN 0.585 nan 8.240 nan 0.000 0.532 797 H N -0.672 118.388 119.070 -0.018 0.000 2.542 797 H HA 0.419 4.975 4.556 -0.001 0.000 0.283 797 H C 0.161 175.487 175.328 -0.002 0.000 1.059 797 H CA -0.627 55.416 56.048 -0.009 0.000 1.162 797 H CB 0.077 29.834 29.762 -0.008 0.000 1.539 797 H HN 0.331 nan 8.280 nan 0.000 0.543 798 I N 2.063 122.688 120.570 0.092 0.000 2.752 798 I HA -0.145 4.025 4.170 -0.001 0.000 0.289 798 I C 0.571 176.730 176.117 0.069 0.000 1.197 798 I CA 0.378 61.717 61.300 0.064 0.000 1.432 798 I CB 0.382 38.410 38.000 0.046 0.000 1.359 798 I HN 0.220 nan 8.210 nan 0.000 0.571 799 D N 4.971 125.408 120.400 0.062 0.000 2.713 799 D HA 0.030 4.669 4.640 -0.001 0.000 0.229 799 D C 1.205 177.545 176.300 0.066 0.000 1.136 799 D CA -0.029 54.005 54.000 0.056 0.000 1.010 799 D CB 0.345 41.171 40.800 0.043 0.000 1.084 799 D HN 0.556 nan 8.370 nan 0.000 0.495 800 S N 0.359 116.105 115.700 0.075 0.000 2.501 800 S HA 0.252 4.721 4.470 -0.001 0.000 0.220 800 S C 1.581 176.234 174.600 0.087 0.000 0.997 800 S CA 0.284 58.543 58.200 0.098 0.000 0.919 800 S CB -0.114 63.156 63.200 0.117 0.000 0.778 800 S HN 0.530 nan 8.310 nan 0.000 0.523 801 G N 3.228 112.068 108.800 0.067 0.000 2.565 801 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.295 801 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.295 801 G C 0.137 175.079 174.900 0.071 0.000 1.165 801 G CA 0.586 45.721 45.100 0.059 0.000 0.977 801 G HN 0.758 nan 8.290 nan 0.000 0.546 802 D N 0.188 120.633 120.400 0.076 0.000 2.402 802 D HA 0.342 4.981 4.640 -0.001 0.000 0.216 802 D C 0.698 177.080 176.300 0.136 0.000 1.128 802 D CA -0.204 53.858 54.000 0.104 0.000 0.833 802 D CB 0.249 41.096 40.800 0.078 0.000 0.971 802 D HN 0.444 nan 8.370 nan 0.000 0.503 803 I N 1.512 122.147 120.570 0.108 0.000 2.412 803 I HA 0.489 4.658 4.170 -0.001 0.000 0.296 803 I C -0.123 176.077 176.117 0.138 0.000 0.987 803 I CA -1.109 60.197 61.300 0.010 0.000 1.180 803 I CB 0.607 38.583 38.000 -0.042 0.000 1.340 803 I HN 0.009 nan 8.210 nan 0.000 0.455 804 F N 4.312 124.083 119.950 -0.297 0.000 2.711 804 F HA 0.692 5.219 4.527 -0.001 0.000 0.313 804 F C -2.043 173.410 175.800 -0.579 0.000 1.141 804 F CA -1.162 56.683 58.000 -0.257 0.000 0.941 804 F CB 1.589 40.512 39.000 -0.129 0.000 1.349 804 F HN 0.170 nan 8.300 nan 0.000 0.464 805 Y N 0.169 120.235 120.300 -0.390 0.000 2.442 805 Y HA 0.669 5.218 4.550 -0.001 0.000 0.344 805 Y C -0.077 175.643 175.900 -0.301 0.000 0.976 805 Y CA -0.747 56.989 58.100 -0.607 0.000 1.040 805 Y CB 2.484 40.164 38.460 -1.301 0.000 1.228 805 Y HN 0.863 nan 8.280 nan 0.000 0.451 806 T N -1.274 113.209 114.554 -0.118 0.000 2.906 806 T HA 0.455 4.804 4.350 -0.001 0.000 0.295 806 T C -1.053 173.462 174.700 -0.308 0.000 1.075 806 T CA -1.086 60.962 62.100 -0.087 0.000 1.005 806 T CB 1.986 70.777 68.868 -0.128 0.000 1.136 806 T HN 0.593 nan 8.240 nan 0.000 0.498 807 D N 1.345 121.405 120.400 -0.566 0.000 2.348 807 D HA 0.334 4.973 4.640 -0.001 0.000 0.249 807 D C -0.586 175.448 176.300 -0.443 0.000 1.110 807 D CA -0.756 52.722 54.000 -0.871 0.000 0.967 807 D CB 1.216 41.267 40.800 -1.249 0.000 1.139 807 D HN 0.555 nan 8.370 nan 0.000 0.466 808 L N 1.411 122.417 121.223 -0.361 0.000 2.316 808 L HA 0.241 4.581 4.340 -0.001 0.000 0.280 808 L C 0.366 177.117 176.870 -0.199 0.000 1.006 808 L CA -0.787 53.932 54.840 -0.201 0.000 0.836 808 L CB 0.651 42.654 42.059 -0.093 0.000 1.221 808 L HN 0.429 nan 8.230 nan 0.000 0.418 809 N N 2.766 121.359 118.700 -0.178 0.000 2.714 809 N HA -0.232 4.507 4.740 -0.001 0.000 0.250 809 N C 1.015 176.330 175.510 -0.325 0.000 1.117 809 N CA 0.937 53.882 53.050 -0.174 0.000 0.719 809 N CB -0.824 37.630 38.487 -0.056 0.000 1.081 809 N HN 1.132 nan 8.380 nan 0.000 0.557 810 G N -0.613 108.002 108.800 -0.309 0.000 2.166 810 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.260 810 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.260 810 G C 0.632 175.501 174.900 -0.051 0.000 0.986 810 G CA 0.759 45.709 45.100 -0.250 0.000 0.683 810 G HN 0.455 nan 8.290 nan 0.000 0.527 811 L N -0.437 120.691 121.223 -0.158 0.000 2.467 811 L HA 0.492 4.831 4.340 -0.001 0.000 0.213 811 L C 1.036 177.784 176.870 -0.205 0.000 1.053 811 L CA 1.995 56.650 54.840 -0.307 0.000 0.847 811 L CB 0.135 41.860 42.059 -0.558 0.000 1.075 811 L HN 0.702 nan 8.230 nan 0.000 0.479 812 Q N -1.897 117.791 119.800 -0.186 0.000 2.482 812 Q HA 0.355 4.695 4.340 -0.001 0.000 0.286 812 Q C -1.672 174.218 176.000 -0.183 0.000 1.007 812 Q CA -0.741 55.017 55.803 -0.075 0.000 0.801 812 Q CB 1.126 29.878 28.738 0.023 0.000 1.455 812 Q HN -0.051 nan 8.270 nan 0.000 0.398 813 F N 1.282 121.191 119.950 -0.068 0.000 2.427 813 F HA 0.589 5.115 4.527 -0.001 0.000 0.346 813 F C -0.191 175.573 175.800 -0.059 0.000 1.120 813 F CA -0.827 57.145 58.000 -0.048 0.000 1.033 813 F CB 1.645 40.665 39.000 0.033 0.000 1.126 813 F HN 0.526 nan 8.300 nan 0.000 0.462 814 I N 3.981 124.556 120.570 0.007 0.000 2.441 814 I HA 0.327 4.497 4.170 -0.001 0.000 0.295 814 I C -0.406 175.574 176.117 -0.228 0.000 0.994 814 I CA -0.856 60.397 61.300 -0.078 0.000 1.144 814 I CB 1.232 39.139 38.000 -0.153 0.000 1.314 814 I HN 0.505 nan 8.210 nan 0.000 0.445 815 K N 6.825 127.048 120.400 -0.294 0.000 2.412 815 K HA 0.249 4.569 4.320 -0.001 0.000 0.281 815 K C -0.881 175.274 176.600 -0.742 0.000 1.027 815 K CA -0.321 55.523 56.287 -0.740 0.000 0.989 815 K CB 0.523 32.715 32.500 -0.514 0.000 0.935 815 K HN 0.517 nan 8.250 nan 0.000 0.475 816 R N 3.297 123.176 120.500 -1.035 0.000 2.711 816 R HA 0.343 4.683 4.340 -0.001 0.000 0.284 816 R C -0.530 175.281 176.300 -0.814 0.000 0.968 816 R CA -0.803 54.627 56.100 -1.115 0.000 0.924 816 R CB 1.554 30.661 30.300 -1.988 0.000 1.162 816 R HN 0.668 nan 8.270 nan 0.000 0.465 817 R N 1.528 121.770 120.500 -0.431 0.000 2.439 817 R HA 0.292 4.631 4.340 -0.001 0.000 0.310 817 R C -0.442 175.908 176.300 0.083 0.000 0.955 817 R CA -0.665 55.354 56.100 -0.135 0.000 0.853 817 R CB 1.474 31.733 30.300 -0.069 0.000 1.171 817 R HN 0.519 nan 8.270 nan 0.000 0.449 818 R N 4.943 125.594 120.500 0.252 0.000 2.522 818 R HA 0.109 4.449 4.340 -0.001 0.000 0.284 818 R C -0.942 175.444 176.300 0.144 0.000 1.032 818 R CA 0.237 56.510 56.100 0.288 0.000 1.049 818 R CB 0.378 30.828 30.300 0.251 0.000 0.956 818 R HN 0.540 nan 8.270 nan 0.000 0.422 819 L N 5.087 126.374 121.223 0.107 0.000 2.316 819 L HA 0.215 4.554 4.340 -0.001 0.000 0.280 819 L C 0.235 177.103 176.870 -0.004 0.000 1.006 819 L CA -0.684 54.178 54.840 0.036 0.000 0.836 819 L CB 1.943 43.998 42.059 -0.006 0.000 1.221 819 L HN 0.648 nan 8.230 nan 0.000 0.418 820 D N 1.658 122.063 120.400 0.007 0.000 2.348 820 D HA -0.125 4.515 4.640 -0.001 0.000 0.216 820 D C 1.750 178.036 176.300 -0.022 0.000 0.970 820 D CA 0.832 54.830 54.000 -0.003 0.000 0.889 820 D CB 0.348 41.155 40.800 0.012 0.000 0.912 820 D HN 0.557 nan 8.370 nan 0.000 0.524 821 K N 0.266 120.645 120.400 -0.034 0.000 2.439 821 K HA -0.008 4.311 4.320 -0.001 0.000 0.197 821 K C 0.699 177.243 176.600 -0.094 0.000 1.041 821 K CA 0.386 56.650 56.287 -0.040 0.000 0.970 821 K CB 0.279 32.771 32.500 -0.013 0.000 0.773 821 K HN 0.113 nan 8.250 nan 0.000 0.479 822 L N 2.349 123.478 121.223 -0.156 0.000 2.334 822 L HA 0.451 4.791 4.340 -0.001 0.000 0.272 822 L C -2.227 174.541 176.870 -0.170 0.000 1.020 822 L CA -2.901 51.804 54.840 -0.225 0.000 0.812 822 L CB 1.364 43.192 42.059 -0.385 0.000 1.264 822 L HN -0.037 nan 8.230 nan 0.000 0.439 823 P HA 0.038 nan 4.420 nan 0.000 0.272 823 P C 0.838 178.015 177.300 -0.205 0.000 1.240 823 P CA -0.410 62.595 63.100 -0.159 0.000 0.791 823 P CB 1.219 32.848 31.700 -0.120 0.000 0.978 824 L N 0.907 122.039 121.223 -0.151 0.000 2.021 824 L HA -0.285 4.055 4.340 -0.001 0.000 0.215 824 L C 2.505 179.296 176.870 -0.132 0.000 1.074 824 L CA 1.945 56.723 54.840 -0.103 0.000 0.760 824 L CB -0.649 41.348 42.059 -0.103 0.000 0.889 824 L HN 0.432 nan 8.230 nan 0.000 0.433 825 Q N -0.308 119.304 119.800 -0.314 0.000 2.291 825 Q HA -0.175 4.164 4.340 -0.001 0.000 0.206 825 Q C 1.886 177.779 176.000 -0.179 0.000 0.976 825 Q CA 1.522 57.171 55.803 -0.256 0.000 0.875 825 Q CB -0.539 27.964 28.738 -0.391 0.000 0.927 825 Q HN 0.614 nan 8.270 nan 0.000 0.450 826 A N 1.532 124.027 122.820 -0.541 0.000 2.066 826 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 826 A C 1.674 179.066 177.584 -0.320 0.000 1.157 826 A CA 0.840 52.394 52.037 -0.805 0.000 0.670 826 A CB -0.212 17.989 19.000 -1.331 0.000 0.804 826 A HN 0.354 nan 8.150 nan 0.000 0.453 827 N N -1.219 117.409 118.700 -0.119 0.000 2.398 827 N HA 0.044 4.784 4.740 -0.001 0.000 0.188 827 N C -0.823 174.765 175.510 0.131 0.000 1.122 827 N CA 0.221 53.316 53.050 0.075 0.000 0.866 827 N CB 0.032 38.612 38.487 0.155 0.000 0.970 827 N HN 0.466 nan 8.380 nan 0.000 0.462 828 Y N 0.311 120.555 120.300 -0.095 0.000 2.304 828 Y HA 0.196 4.745 4.550 -0.001 0.000 0.328 828 Y C -0.182 175.651 175.900 -0.111 0.000 1.123 828 Y CA -0.116 58.008 58.100 0.040 0.000 1.218 828 Y CB 0.365 38.922 38.460 0.162 0.000 1.207 828 Y HN -0.067 nan 8.280 nan 0.000 0.495 829 Y N 3.610 124.044 120.300 0.225 0.000 2.605 829 Y HA 0.456 5.006 4.550 -0.001 0.000 0.343 829 Y C -2.263 173.348 175.900 -0.482 0.000 1.036 829 Y CA -2.885 55.205 58.100 -0.018 0.000 1.065 829 Y CB 1.567 40.012 38.460 -0.025 0.000 1.288 829 Y HN 0.446 nan 8.280 nan 0.000 0.481 830 P HA 0.131 nan 4.420 nan 0.000 0.271 830 P C -0.649 176.414 177.300 -0.396 0.000 1.216 830 P CA 0.177 62.700 63.100 -0.963 0.000 0.776 830 P CB 0.658 31.668 31.700 -1.150 0.000 0.881 831 I N 4.722 125.142 120.570 -0.251 0.000 2.692 831 I HA 0.170 4.340 4.170 -0.001 0.000 0.285 831 I C -1.722 174.329 176.117 -0.111 0.000 1.191 831 I CA -2.468 58.756 61.300 -0.126 0.000 1.128 831 I CB 0.742 38.724 38.000 -0.029 0.000 1.585 831 I HN 0.194 nan 8.210 nan 0.000 0.558 832 P HA -0.046 nan 4.420 nan 0.000 0.223 832 P C 1.037 178.313 177.300 -0.040 0.000 1.151 832 P CA 1.137 64.172 63.100 -0.108 0.000 0.787 832 P CB 0.591 32.200 31.700 -0.152 0.000 0.788 833 S N -3.527 112.152 115.700 -0.035 0.000 2.483 833 S HA 0.466 4.936 4.470 -0.001 0.000 0.280 833 S C 0.569 175.261 174.600 0.152 0.000 1.059 833 S CA 0.350 58.586 58.200 0.061 0.000 1.359 833 S CB 0.296 63.554 63.200 0.098 0.000 1.171 833 S HN 0.332 nan 8.310 nan 0.000 0.625 834 G N 1.476 110.367 108.800 0.151 0.000 2.368 834 G HA2 0.546 4.506 3.960 -0.001 0.000 0.293 834 G HA3 0.546 4.506 3.960 -0.001 0.000 0.293 834 G C -1.549 173.599 174.900 0.414 0.000 1.467 834 G CA -0.401 44.909 45.100 0.350 0.000 0.804 834 G HN 0.930 nan 8.290 nan 0.000 0.535 835 M N -0.761 119.107 119.600 0.447 0.000 2.534 835 M HA 0.880 5.359 4.480 -0.001 0.000 0.280 835 M C -1.697 174.842 176.300 0.398 0.000 1.217 835 M CA -1.020 54.501 55.300 0.368 0.000 0.893 835 M CB 2.509 35.234 32.600 0.208 0.000 1.730 835 M HN 1.214 nan 8.290 nan 0.000 0.483 836 F N 0.964 121.063 119.950 0.248 0.000 2.668 836 F HA 0.910 5.436 4.527 -0.001 0.000 0.309 836 F C -1.729 174.208 175.800 0.228 0.000 1.117 836 F CA -1.197 56.888 58.000 0.141 0.000 0.951 836 F CB 1.148 40.140 39.000 -0.013 0.000 1.323 836 F HN 0.781 nan 8.300 nan 0.000 0.451 837 I N -0.085 120.720 120.570 0.391 0.000 2.785 837 I HA 0.891 5.061 4.170 -0.001 0.000 0.302 837 I C -1.353 174.951 176.117 0.311 0.000 1.069 837 I CA -0.878 60.618 61.300 0.326 0.000 1.045 837 I CB 2.386 40.493 38.000 0.180 0.000 1.236 837 I HN 0.952 nan 8.210 nan 0.000 0.429 838 E N 2.069 122.436 120.200 0.279 0.000 2.412 838 E HA 0.540 4.889 4.350 -0.001 0.000 0.279 838 E C -2.033 174.651 176.600 0.140 0.000 0.984 838 E CA -0.839 55.667 56.400 0.177 0.000 0.788 838 E CB 2.206 32.002 29.700 0.161 0.000 1.277 838 E HN 0.744 nan 8.360 nan 0.000 0.455 839 D N 0.626 121.077 120.400 0.086 0.000 2.723 839 D HA 0.456 5.095 4.640 -0.001 0.000 0.247 839 D C 0.914 177.243 176.300 0.048 0.000 1.134 839 D CA -0.161 53.881 54.000 0.071 0.000 1.099 839 D CB -0.021 40.813 40.800 0.057 0.000 1.287 839 D HN 0.448 nan 8.370 nan 0.000 0.634 840 A N -0.743 122.099 122.820 0.037 0.000 1.972 840 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 840 A C 1.525 179.113 177.584 0.007 0.000 1.169 840 A CA 1.568 53.619 52.037 0.022 0.000 0.635 840 A CB -0.712 18.300 19.000 0.020 0.000 0.810 840 A HN 0.516 nan 8.150 nan 0.000 0.446 841 N N -1.844 116.859 118.700 0.005 0.000 2.397 841 N HA 0.074 4.813 4.740 -0.001 0.000 0.190 841 N C -0.427 175.072 175.510 -0.018 0.000 1.099 841 N CA 0.751 53.796 53.050 -0.008 0.000 0.876 841 N CB 0.662 39.147 38.487 -0.005 0.000 1.143 841 N HN 0.303 nan 8.380 nan 0.000 0.468 842 T N 0.572 115.120 114.554 -0.010 0.000 2.893 842 T HA 0.456 4.806 4.350 -0.001 0.000 0.293 842 T C -0.610 174.082 174.700 -0.014 0.000 1.027 842 T CA -0.649 61.439 62.100 -0.020 0.000 0.988 842 T CB 2.861 71.722 68.868 -0.012 0.000 1.043 842 T HN -0.041 nan 8.240 nan 0.000 0.461 843 R N 1.952 122.426 120.500 -0.042 0.000 2.686 843 R HA 0.715 5.054 4.340 -0.001 0.000 0.283 843 R C -1.937 174.340 176.300 -0.038 0.000 0.978 843 R CA -0.899 55.178 56.100 -0.039 0.000 0.897 843 R CB 1.279 31.491 30.300 -0.146 0.000 1.192 843 R HN 0.456 nan 8.270 nan 0.000 0.457 844 L N 2.843 124.074 121.223 0.014 0.000 2.325 844 L HA 0.493 4.833 4.340 -0.001 0.000 0.281 844 L C -1.274 175.638 176.870 0.069 0.000 1.004 844 L CA 0.097 54.939 54.840 0.003 0.000 0.823 844 L CB 2.189 44.235 42.059 -0.020 0.000 1.236 844 L HN 0.637 nan 8.230 nan 0.000 0.415 845 T N 5.765 120.339 114.554 0.035 0.000 2.792 845 T HA 0.543 4.892 4.350 -0.001 0.000 0.280 845 T C -0.985 173.779 174.700 0.106 0.000 0.990 845 T CA -0.268 61.892 62.100 0.099 0.000 0.960 845 T CB 1.341 70.196 68.868 -0.022 0.000 0.939 845 T HN 0.442 nan 8.240 nan 0.000 0.439 846 L N 5.255 126.577 121.223 0.164 0.000 2.298 846 L HA 0.527 4.866 4.340 -0.001 0.000 0.284 846 L C -1.232 175.784 176.870 0.243 0.000 1.013 846 L CA -0.700 54.247 54.840 0.178 0.000 0.824 846 L CB 0.507 42.650 42.059 0.139 0.000 1.221 846 L HN 0.414 nan 8.230 nan 0.000 0.418 847 L N 3.805 125.173 121.223 0.243 0.000 2.325 847 L HA 0.588 4.927 4.340 -0.001 0.000 0.279 847 L C 0.389 177.412 176.870 0.254 0.000 1.054 847 L CA -0.168 54.815 54.840 0.239 0.000 0.804 847 L CB 1.269 43.436 42.059 0.180 0.000 1.200 847 L HN 0.629 nan 8.230 nan 0.000 0.436 848 T N 0.263 114.921 114.554 0.173 0.000 2.861 848 T HA 0.580 4.929 4.350 -0.001 0.000 0.287 848 T C 0.772 175.439 174.700 -0.055 0.000 1.003 848 T CA -0.228 61.896 62.100 0.039 0.000 0.977 848 T CB 1.513 70.433 68.868 0.086 0.000 0.996 848 T HN 0.786 nan 8.240 nan 0.000 0.448 849 G N 3.199 111.892 108.800 -0.180 0.000 3.181 849 G HA2 0.321 4.280 3.960 -0.001 0.000 0.219 849 G HA3 0.321 4.280 3.960 -0.001 0.000 0.219 849 G C 0.114 174.948 174.900 -0.110 0.000 1.182 849 G CA -0.100 44.926 45.100 -0.124 0.000 0.791 849 G HN 0.745 nan 8.290 nan 0.000 0.537 850 Q N -0.287 119.443 119.800 -0.117 0.000 2.479 850 Q HA 0.299 4.638 4.340 -0.001 0.000 0.276 850 Q C -3.534 172.428 176.000 -0.064 0.000 0.989 850 Q CA -2.398 53.360 55.803 -0.075 0.000 0.864 850 Q CB 1.886 30.592 28.738 -0.053 0.000 1.444 850 Q HN -0.014 nan 8.270 nan 0.000 0.388 851 P HA 0.446 nan 4.420 nan 0.000 0.281 851 P C -0.694 176.594 177.300 -0.021 0.000 1.252 851 P CA -0.131 62.952 63.100 -0.028 0.000 0.778 851 P CB 0.962 32.653 31.700 -0.016 0.000 0.895 852 L N 1.750 122.957 121.223 -0.028 0.000 2.403 852 L HA 0.679 5.018 4.340 -0.001 0.000 0.253 852 L C 0.751 177.639 176.870 0.029 0.000 1.045 852 L CA -1.141 53.705 54.840 0.010 0.000 0.845 852 L CB 2.091 44.143 42.059 -0.012 0.000 1.447 852 L HN 0.331 nan 8.230 nan 0.000 0.411 853 G N -0.944 107.930 108.800 0.123 0.000 2.425 853 G HA2 0.682 4.641 3.960 -0.001 0.000 0.302 853 G HA3 0.682 4.641 3.960 -0.001 0.000 0.302 853 G C -0.513 174.419 174.900 0.054 0.000 1.159 853 G CA 0.067 45.295 45.100 0.213 0.000 0.865 853 G HN 0.872 nan 8.290 nan 0.000 0.515 854 G N -1.433 107.215 108.800 -0.252 0.000 2.550 854 G HA2 0.672 4.631 3.960 -0.001 0.000 0.293 854 G HA3 0.672 4.631 3.960 -0.001 0.000 0.293 854 G C -1.218 173.239 174.900 -0.739 0.000 1.402 854 G CA 0.396 45.153 45.100 -0.572 0.000 0.784 854 G HN 1.262 nan 8.290 nan 0.000 0.482 855 S N -1.816 113.497 115.700 -0.645 0.000 2.661 855 S HA 0.728 5.198 4.470 -0.001 0.000 0.268 855 S C -1.519 172.621 174.600 -0.767 0.000 1.162 855 S CA 0.274 58.091 58.200 -0.639 0.000 0.817 855 S CB 1.381 64.263 63.200 -0.532 0.000 1.141 855 S HN 1.519 nan 8.310 nan 0.000 0.477 856 S N 1.695 116.642 115.700 -1.255 0.000 2.718 856 S HA 0.492 4.962 4.470 -0.001 0.000 0.294 856 S C 0.183 174.524 174.600 -0.430 0.000 1.157 856 S CA -0.642 57.098 58.200 -0.766 0.000 1.121 856 S CB -0.020 62.683 63.200 -0.828 0.000 1.015 856 S HN 0.580 nan 8.310 nan 0.000 0.479 857 L N 3.211 124.322 121.223 -0.186 0.000 2.558 857 L HA 0.490 4.829 4.340 -0.001 0.000 0.225 857 L C 0.855 177.716 176.870 -0.015 0.000 1.128 857 L CA 0.229 55.042 54.840 -0.045 0.000 0.868 857 L CB 0.019 42.110 42.059 0.054 0.000 1.006 857 L HN 0.694 nan 8.230 nan 0.000 0.454 858 A N -1.210 121.589 122.820 -0.035 0.000 2.604 858 A HA 0.460 4.780 4.320 -0.001 0.000 0.295 858 A C -0.456 177.125 177.584 -0.005 0.000 1.067 858 A CA -0.441 51.594 52.037 -0.004 0.000 0.683 858 A CB 1.226 20.231 19.000 0.008 0.000 1.281 858 A HN -0.141 nan 8.150 nan 0.000 0.407 859 S N -0.084 115.627 115.700 0.019 0.000 2.563 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.294 859 S C 1.529 176.148 174.600 0.032 0.000 1.279 859 S CA 1.895 60.114 58.200 0.032 0.000 1.069 859 S CB -0.094 63.128 63.200 0.037 0.000 0.828 859 S HN 2.654 nan 8.310 nan 0.000 0.497 860 G N 3.441 112.263 108.800 0.036 0.000 2.179 860 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 860 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 860 G C -0.165 174.733 174.900 -0.003 0.000 0.977 860 G CA 0.482 45.602 45.100 0.035 0.000 0.641 860 G HN 0.719 nan 8.290 nan 0.000 0.533 861 E N -0.419 119.764 120.200 -0.028 0.000 2.202 861 E HA 0.748 5.097 4.350 -0.001 0.000 0.272 861 E C -0.185 176.351 176.600 -0.106 0.000 0.951 861 E CA -0.708 55.652 56.400 -0.067 0.000 0.813 861 E CB 1.786 31.448 29.700 -0.063 0.000 1.151 861 E HN 0.246 nan 8.360 nan 0.000 0.398 862 L N 1.967 123.121 121.223 -0.116 0.000 2.381 862 L HA 0.476 4.815 4.340 -0.001 0.000 0.268 862 L C -0.495 176.299 176.870 -0.126 0.000 0.997 862 L CA -0.629 54.131 54.840 -0.133 0.000 0.818 862 L CB 1.955 43.965 42.059 -0.081 0.000 1.310 862 L HN 0.662 nan 8.230 nan 0.000 0.416 863 E N 2.970 123.086 120.200 -0.139 0.000 2.390 863 E HA 0.699 5.048 4.350 -0.001 0.000 0.277 863 E C -1.556 174.992 176.600 -0.086 0.000 0.939 863 E CA -0.844 55.507 56.400 -0.083 0.000 0.769 863 E CB 3.363 33.059 29.700 -0.006 0.000 1.251 863 E HN 0.533 nan 8.360 nan 0.000 0.450 864 I N 2.187 122.746 120.570 -0.019 0.000 2.571 864 I HA 0.308 4.478 4.170 -0.001 0.000 0.289 864 I C -1.366 174.814 176.117 0.105 0.000 1.115 864 I CA -1.129 60.184 61.300 0.021 0.000 1.045 864 I CB 1.942 39.957 38.000 0.024 0.000 1.238 864 I HN 0.773 nan 8.210 nan 0.000 0.424 865 M N 6.322 126.022 119.600 0.168 0.000 2.228 865 M HA 0.206 4.685 4.480 -0.001 0.000 0.351 865 M C 0.594 176.993 176.300 0.163 0.000 1.233 865 M CA 0.651 56.057 55.300 0.177 0.000 1.129 865 M CB 0.891 33.568 32.600 0.127 0.000 1.604 865 M HN 0.571 nan 8.290 nan 0.000 0.457 866 Q N 1.436 121.366 119.800 0.216 0.000 2.287 866 Q HA 0.255 4.595 4.340 -0.001 0.000 0.201 866 Q C -0.258 175.945 176.000 0.339 0.000 0.946 866 Q CA 0.811 56.807 55.803 0.321 0.000 0.868 866 Q CB 0.405 29.365 28.738 0.370 0.000 0.967 866 Q HN 0.767 nan 8.270 nan 0.000 0.516 867 D N -0.937 119.597 120.400 0.223 0.000 2.710 867 D HA 0.277 4.917 4.640 -0.001 0.000 0.276 867 D C -1.448 174.925 176.300 0.122 0.000 1.267 867 D CA -0.477 53.632 54.000 0.182 0.000 0.772 867 D CB 1.420 42.320 40.800 0.166 0.000 1.299 867 D HN 0.041 nan 8.370 nan 0.000 0.421 868 R N 0.806 121.367 120.500 0.102 0.000 2.584 868 R HA 0.697 5.037 4.340 -0.001 0.000 0.276 868 R C -1.059 175.288 176.300 0.078 0.000 1.046 868 R CA -1.056 55.090 56.100 0.075 0.000 0.906 868 R CB 2.153 32.472 30.300 0.031 0.000 1.215 868 R HN 0.323 nan 8.270 nan 0.000 0.449 869 R N 3.725 124.269 120.500 0.074 0.000 2.483 869 R HA 0.476 4.816 4.340 -0.001 0.000 0.303 869 R C -1.517 174.820 176.300 0.062 0.000 0.987 869 R CA -0.569 55.570 56.100 0.066 0.000 0.881 869 R CB 1.314 31.650 30.300 0.059 0.000 1.177 869 R HN 0.717 nan 8.270 nan 0.000 0.451 870 L N 3.984 125.242 121.223 0.057 0.000 2.409 870 L HA 0.524 4.863 4.340 -0.001 0.000 0.272 870 L C 0.719 177.616 176.870 0.045 0.000 0.980 870 L CA -0.568 54.304 54.840 0.053 0.000 0.826 870 L CB 2.160 44.252 42.059 0.054 0.000 1.268 870 L HN 0.812 nan 8.230 nan 0.000 0.407 871 A N 1.628 124.472 122.820 0.039 0.000 2.016 871 A HA 0.141 4.460 4.320 -0.001 0.000 0.217 871 A C 0.971 178.572 177.584 0.029 0.000 1.162 871 A CA 0.756 52.813 52.037 0.033 0.000 0.662 871 A CB 0.023 19.041 19.000 0.029 0.000 0.812 871 A HN 0.611 nan 8.150 nan 0.000 0.450 872 S N -0.294 115.423 115.700 0.029 0.000 2.638 872 S HA 0.427 4.896 4.470 -0.001 0.000 0.298 872 S C -0.674 173.944 174.600 0.030 0.000 1.111 872 S CA -0.659 57.556 58.200 0.024 0.000 1.027 872 S CB 1.482 64.692 63.200 0.016 0.000 1.064 872 S HN 0.475 nan 8.310 nan 0.000 0.525 873 D N 0.310 120.726 120.400 0.028 0.000 2.341 873 D HA 0.229 4.868 4.640 -0.001 0.000 0.245 873 D C -0.061 176.250 176.300 0.019 0.000 1.106 873 D CA -0.365 53.657 54.000 0.037 0.000 0.905 873 D CB 0.690 41.512 40.800 0.036 0.000 1.202 873 D HN 0.507 nan 8.370 nan 0.000 0.426 874 D N 1.732 122.145 120.400 0.022 0.000 2.463 874 D HA 0.069 4.708 4.640 -0.001 0.000 0.224 874 D C -0.254 175.992 176.300 -0.090 0.000 1.174 874 D CA -0.216 53.762 54.000 -0.038 0.000 0.829 874 D CB -0.339 40.428 40.800 -0.055 0.000 0.993 874 D HN 0.701 nan 8.370 nan 0.000 0.497 875 E N -0.697 119.476 120.200 -0.046 0.000 3.413 875 E HA -0.199 4.150 4.350 -0.001 0.000 0.300 875 E C 0.447 176.995 176.600 -0.086 0.000 0.891 875 E CA 0.290 56.660 56.400 -0.049 0.000 1.050 875 E CB -0.802 28.866 29.700 -0.054 0.000 1.534 875 E HN 0.148 nan 8.360 nan 0.000 0.436 876 R N -0.420 119.983 120.500 -0.161 0.000 2.432 876 R HA 0.231 4.570 4.340 -0.001 0.000 0.260 876 R C 1.433 177.721 176.300 -0.020 0.000 0.935 876 R CA 0.832 56.735 56.100 -0.329 0.000 1.080 876 R CB 1.014 30.646 30.300 -1.114 0.000 1.155 876 R HN 0.409 nan 8.270 nan 0.000 0.531 877 G N 0.441 109.356 108.800 0.192 0.000 2.231 877 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.206 877 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.206 877 G C 0.701 175.780 174.900 0.298 0.000 0.996 877 G CA 0.129 45.477 45.100 0.414 0.000 0.645 877 G HN 0.273 nan 8.290 nan 0.000 0.498 878 L N 1.734 123.183 121.223 0.377 0.000 2.156 878 L HA 0.461 4.801 4.340 -0.001 0.000 0.208 878 L C 2.184 179.063 176.870 0.014 0.000 1.095 878 L CA 2.505 57.450 54.840 0.175 0.000 0.770 878 L CB -0.614 41.667 42.059 0.370 0.000 0.914 878 L HN 1.617 nan 8.230 nan 0.000 0.439 879 G N -0.171 108.664 108.800 0.057 0.000 2.225 879 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.267 879 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.267 879 G C 0.092 175.003 174.900 0.018 0.000 1.024 879 G CA 0.790 45.903 45.100 0.021 0.000 0.784 879 G HN 0.772 nan 8.290 nan 0.000 0.507 880 Q N -2.022 117.802 119.800 0.040 0.000 2.534 880 Q HA 0.709 5.048 4.340 -0.001 0.000 0.290 880 Q C 0.489 176.521 176.000 0.053 0.000 0.991 880 Q CA -0.612 55.214 55.803 0.038 0.000 0.783 880 Q CB 0.615 29.372 28.738 0.031 0.000 1.470 880 Q HN 0.816 nan 8.270 nan 0.000 0.406 881 G N 0.133 108.960 108.800 0.045 0.000 2.546 881 G HA2 0.489 4.448 3.960 -0.001 0.000 0.239 881 G HA3 0.489 4.448 3.960 -0.001 0.000 0.239 881 G C -0.934 173.998 174.900 0.054 0.000 1.476 881 G CA -0.580 44.549 45.100 0.049 0.000 1.064 881 G HN 0.414 nan 8.290 nan 0.000 0.561 882 V N 0.760 120.707 119.914 0.055 0.000 2.325 882 V HA 0.361 4.480 4.120 -0.001 0.000 0.280 882 V C 0.037 176.167 176.094 0.060 0.000 1.016 882 V CA -0.173 62.165 62.300 0.063 0.000 0.818 882 V CB 1.063 32.928 31.823 0.070 0.000 1.019 882 V HN 0.544 nan 8.190 nan 0.000 0.434 883 L N 3.305 124.562 121.223 0.056 0.000 3.298 883 L HA 0.311 4.650 4.340 -0.001 0.000 0.296 883 L C 0.635 177.532 176.870 0.045 0.000 1.237 883 L CA 0.038 54.905 54.840 0.046 0.000 1.038 883 L CB 0.753 42.834 42.059 0.036 0.000 1.423 883 L HN 0.684 nan 8.230 nan 0.000 0.605 884 D N -1.885 118.551 120.400 0.059 0.000 2.525 884 D HA 0.041 4.681 4.640 -0.001 0.000 0.229 884 D C 0.120 176.459 176.300 0.066 0.000 1.202 884 D CA -0.418 53.617 54.000 0.059 0.000 0.828 884 D CB -0.291 40.552 40.800 0.071 0.000 1.008 884 D HN 0.059 nan 8.370 nan 0.000 0.493 885 N N 2.024 120.761 118.700 0.062 0.000 2.353 885 N HA 0.011 4.750 4.740 -0.001 0.000 0.248 885 N C 0.322 175.840 175.510 0.014 0.000 1.240 885 N CA 0.691 53.777 53.050 0.059 0.000 0.862 885 N CB 0.864 39.384 38.487 0.055 0.000 1.086 885 N HN 0.452 nan 8.380 nan 0.000 0.453 886 K N 0.327 120.723 120.400 -0.007 0.000 2.482 886 K HA 0.543 4.863 4.320 -0.001 0.000 0.257 886 K C -3.223 173.349 176.600 -0.048 0.000 0.969 886 K CA -1.935 54.303 56.287 -0.081 0.000 0.842 886 K CB 1.377 33.742 32.500 -0.225 0.000 1.359 886 K HN 0.076 nan 8.250 nan 0.000 0.441 887 P HA -0.037 nan 4.420 nan 0.000 0.264 887 P C -1.017 176.298 177.300 0.025 0.000 1.183 887 P CA -0.403 62.676 63.100 -0.035 0.000 0.763 887 P CB 0.720 32.389 31.700 -0.051 0.000 0.807 888 V N 5.040 124.938 119.914 -0.027 0.000 2.841 888 V HA 0.465 4.584 4.120 -0.001 0.000 0.310 888 V C -1.359 174.610 176.094 -0.209 0.000 1.090 888 V CA -1.100 61.164 62.300 -0.061 0.000 0.930 888 V CB 2.157 33.925 31.823 -0.093 0.000 1.014 888 V HN 0.276 nan 8.190 nan 0.000 0.425 889 L N 6.937 128.068 121.223 -0.155 0.000 2.270 889 L HA 0.588 4.928 4.340 -0.001 0.000 0.286 889 L C -0.336 176.507 176.870 -0.044 0.000 1.059 889 L CA 0.138 54.917 54.840 -0.102 0.000 0.839 889 L CB 0.265 42.288 42.059 -0.060 0.000 1.221 889 L HN 0.700 nan 8.230 nan 0.000 0.431 890 H N 5.640 124.722 119.070 0.021 0.000 2.582 890 H HA 0.468 5.024 4.556 -0.001 0.000 0.345 890 H C -0.096 175.127 175.328 -0.175 0.000 1.104 890 H CA -0.183 55.820 56.048 -0.076 0.000 1.390 890 H CB 1.180 30.968 29.762 0.043 0.000 1.461 890 H HN 0.685 nan 8.280 nan 0.000 0.551 891 I N 0.319 120.722 120.570 -0.278 0.000 2.689 891 I HA 0.593 4.762 4.170 -0.001 0.000 0.299 891 I C -1.427 174.358 176.117 -0.554 0.000 1.059 891 I CA -0.931 60.221 61.300 -0.246 0.000 1.055 891 I CB 2.055 40.003 38.000 -0.088 0.000 1.243 891 I HN 0.243 nan 8.210 nan 0.000 0.425 892 Y N 2.927 123.275 120.300 0.080 0.000 2.625 892 Y HA 0.693 5.242 4.550 -0.001 0.000 0.338 892 Y C -0.558 175.394 175.900 0.088 0.000 1.123 892 Y CA -1.082 57.072 58.100 0.091 0.000 1.046 892 Y CB 1.693 40.226 38.460 0.122 0.000 1.299 892 Y HN 0.421 nan 8.280 nan 0.000 0.464 893 R N 1.420 122.082 120.500 0.270 0.000 2.686 893 R HA 0.603 4.943 4.340 -0.001 0.000 0.286 893 R C -1.919 174.495 176.300 0.190 0.000 0.969 893 R CA -1.155 55.058 56.100 0.188 0.000 0.898 893 R CB 2.611 32.982 30.300 0.118 0.000 1.183 893 R HN 0.641 nan 8.270 nan 0.000 0.456 894 L N 2.399 123.715 121.223 0.154 0.000 2.316 894 L HA 0.422 4.761 4.340 -0.001 0.000 0.280 894 L C -1.213 175.689 176.870 0.053 0.000 1.006 894 L CA -0.556 54.350 54.840 0.111 0.000 0.836 894 L CB 1.816 43.953 42.059 0.130 0.000 1.221 894 L HN 0.310 nan 8.230 nan 0.000 0.418 895 V N 6.254 126.182 119.914 0.025 0.000 2.326 895 V HA 0.385 4.505 4.120 -0.001 0.000 0.281 895 V C -0.288 175.783 176.094 -0.038 0.000 1.015 895 V CA -0.573 61.721 62.300 -0.009 0.000 0.823 895 V CB 1.333 33.143 31.823 -0.022 0.000 1.009 895 V HN 0.631 nan 8.190 nan 0.000 0.436 896 L N 5.510 126.706 121.223 -0.045 0.000 2.276 896 L HA 0.658 4.997 4.340 -0.001 0.000 0.286 896 L C -0.091 176.742 176.870 -0.063 0.000 1.061 896 L CA 0.693 55.498 54.840 -0.059 0.000 0.807 896 L CB 0.959 42.980 42.059 -0.064 0.000 1.177 896 L HN 0.731 nan 8.230 nan 0.000 0.429 897 E N 3.777 123.932 120.200 -0.074 0.000 2.383 897 E HA 0.424 4.773 4.350 -0.001 0.000 0.275 897 E C -1.260 175.295 176.600 -0.075 0.000 0.918 897 E CA -1.197 55.156 56.400 -0.080 0.000 0.764 897 E CB 1.476 31.112 29.700 -0.106 0.000 1.252 897 E HN 0.253 nan 8.360 nan 0.000 0.449 898 K N 1.373 121.733 120.400 -0.067 0.000 2.276 898 K HA 0.171 4.490 4.320 -0.001 0.000 0.283 898 K C 0.457 177.014 176.600 -0.072 0.000 1.044 898 K CA -0.126 56.125 56.287 -0.060 0.000 0.944 898 K CB 1.192 33.662 32.500 -0.050 0.000 1.012 898 K HN 0.491 nan 8.250 nan 0.000 0.472 899 V N -0.493 119.380 119.914 -0.069 0.000 3.253 899 V HA 0.020 4.139 4.120 -0.001 0.000 0.320 899 V C 1.192 177.252 176.094 -0.057 0.000 1.442 899 V CA -0.299 61.953 62.300 -0.080 0.000 1.097 899 V CB -0.302 31.458 31.823 -0.105 0.000 1.008 899 V HN 0.616 nan 8.190 nan 0.000 0.463 900 N N 1.455 120.129 118.700 -0.043 0.000 2.364 900 N HA -0.174 4.565 4.740 -0.001 0.000 0.183 900 N C 1.004 176.494 175.510 -0.033 0.000 1.022 900 N CA 1.626 54.658 53.050 -0.031 0.000 0.883 900 N CB -0.494 37.979 38.487 -0.023 0.000 0.965 900 N HN 0.542 nan 8.380 nan 0.000 0.438 901 N N -0.050 118.625 118.700 -0.042 0.000 2.280 901 N HA 0.081 4.820 4.740 -0.001 0.000 0.192 901 N C -0.354 175.125 175.510 -0.051 0.000 1.109 901 N CA -0.120 52.905 53.050 -0.042 0.000 0.855 901 N CB 0.152 38.613 38.487 -0.042 0.000 0.974 901 N HN 0.205 nan 8.380 nan 0.000 0.482 902 c N 1.321 119.884 118.600 -0.061 0.000 2.536 902 c HA 0.290 4.859 4.570 -0.001 0.000 0.396 902 c C 1.016 175.068 174.090 -0.063 0.000 1.279 902 c CA -0.947 55.338 56.329 -0.074 0.000 2.148 902 c CB 0.877 43.329 42.510 -0.097 0.000 2.584 902 c HN 0.011 nan 8.230 nan 0.000 0.579 903 V N 5.648 125.521 119.914 -0.070 0.000 2.397 903 V HA 0.211 4.331 4.120 -0.001 0.000 0.262 903 V C 0.621 176.676 176.094 -0.065 0.000 1.047 903 V CA 0.433 62.696 62.300 -0.062 0.000 1.003 903 V CB -0.627 31.155 31.823 -0.069 0.000 1.037 903 V HN 0.787 nan 8.190 nan 0.000 0.480 904 R N 4.642 125.117 120.500 -0.042 0.000 2.787 904 R HA 0.548 4.887 4.340 -0.001 0.000 0.271 904 R C -2.471 173.821 176.300 -0.013 0.000 0.993 904 R CA -1.889 54.194 56.100 -0.028 0.000 0.993 904 R CB 1.421 31.709 30.300 -0.020 0.000 1.155 904 R HN 0.405 nan 8.270 nan 0.000 0.486 905 P HA -0.041 nan 4.420 nan 0.000 0.269 905 P C -0.369 176.969 177.300 0.063 0.000 1.217 905 P CA -0.181 62.903 63.100 -0.027 0.000 0.783 905 P CB 0.549 32.158 31.700 -0.151 0.000 0.898 906 S N 0.969 116.735 115.700 0.109 0.000 2.596 906 S HA 0.081 4.551 4.470 -0.001 0.000 0.260 906 S C 1.063 175.744 174.600 0.135 0.000 1.336 906 S CA -0.183 58.085 58.200 0.112 0.000 0.993 906 S CB 0.323 63.591 63.200 0.112 0.000 0.923 906 S HN 0.311 nan 8.310 nan 0.000 0.567 907 K N 0.240 120.701 120.400 0.101 0.000 2.281 907 K HA 0.027 4.346 4.320 -0.001 0.000 0.203 907 K C 1.462 178.118 176.600 0.093 0.000 1.046 907 K CA 1.239 57.583 56.287 0.094 0.000 0.938 907 K CB -0.547 31.992 32.500 0.066 0.000 0.737 907 K HN 0.540 nan 8.250 nan 0.000 0.458 908 L N -0.063 121.218 121.223 0.097 0.000 2.567 908 L HA 0.040 4.379 4.340 -0.001 0.000 0.225 908 L C 0.972 177.894 176.870 0.086 0.000 1.119 908 L CA -0.228 54.653 54.840 0.069 0.000 0.871 908 L CB -0.168 41.917 42.059 0.044 0.000 1.036 908 L HN 0.247 nan 8.230 nan 0.000 0.459 909 H N 2.454 121.562 119.070 0.063 0.000 2.722 909 H HA 0.097 4.652 4.556 -0.001 0.000 0.328 909 H C -1.765 173.605 175.328 0.070 0.000 1.067 909 H CA -1.494 54.605 56.048 0.084 0.000 1.447 909 H CB 1.838 31.676 29.762 0.128 0.000 1.469 909 H HN -0.093 nan 8.280 nan 0.000 0.544 910 P HA 0.124 nan 4.420 nan 0.000 0.245 910 P C -0.405 176.998 177.300 0.170 0.000 1.212 910 P CA 0.219 63.352 63.100 0.056 0.000 0.774 910 P CB 0.473 32.135 31.700 -0.062 0.000 0.999 911 A N -0.338 122.748 122.820 0.444 0.000 2.299 911 A HA 0.754 5.073 4.320 -0.001 0.000 0.332 911 A C 0.286 177.929 177.584 0.099 0.000 1.131 911 A CA -0.356 51.815 52.037 0.223 0.000 0.844 911 A CB 1.045 20.170 19.000 0.209 0.000 1.251 911 A HN 0.159 nan 8.150 nan 0.000 0.486 912 G N -1.313 107.422 108.800 -0.109 0.000 2.658 912 G HA2 0.636 4.595 3.960 -0.001 0.000 0.292 912 G HA3 0.636 4.595 3.960 -0.001 0.000 0.292 912 G C -1.748 172.781 174.900 -0.617 0.000 1.320 912 G CA -0.434 44.500 45.100 -0.277 0.000 0.933 912 G HN 0.554 nan 8.290 nan 0.000 0.476 913 Y N -0.752 119.504 120.300 -0.074 0.000 2.492 913 Y HA 0.474 5.024 4.550 -0.001 0.000 0.346 913 Y C 0.396 176.051 175.900 -0.409 0.000 0.997 913 Y CA -0.931 57.060 58.100 -0.182 0.000 1.025 913 Y CB 2.138 40.485 38.460 -0.188 0.000 1.263 913 Y HN 0.315 nan 8.280 nan 0.000 0.454 914 L N 2.209 123.269 121.223 -0.273 0.000 2.464 914 L HA 0.312 4.652 4.340 -0.001 0.000 0.264 914 L C 0.728 177.443 176.870 -0.259 0.000 1.199 914 L CA -0.462 54.139 54.840 -0.399 0.000 0.818 914 L CB 0.752 42.660 42.059 -0.252 0.000 1.102 914 L HN 0.778 nan 8.230 nan 0.000 0.473 915 T N -2.374 112.018 114.554 -0.270 0.000 2.816 915 T HA 0.046 4.395 4.350 -0.001 0.000 0.282 915 T C 1.190 175.837 174.700 -0.089 0.000 0.993 915 T CA -0.137 61.858 62.100 -0.175 0.000 0.994 915 T CB 1.474 70.236 68.868 -0.176 0.000 1.025 915 T HN 0.640 nan 8.240 nan 0.000 0.529 916 S N 0.858 116.519 115.700 -0.066 0.000 2.365 916 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 916 S C 2.354 176.965 174.600 0.017 0.000 1.039 916 S CA 1.691 59.886 58.200 -0.010 0.000 1.033 916 S CB -1.276 61.902 63.200 -0.036 0.000 0.887 916 S HN 0.961 nan 8.310 nan 0.000 0.447 917 A N 1.207 124.013 122.820 -0.023 0.000 1.902 917 A HA 0.216 4.535 4.320 -0.001 0.000 0.217 917 A C 2.494 180.074 177.584 -0.006 0.000 1.181 917 A CA 1.949 53.976 52.037 -0.016 0.000 0.623 917 A CB -1.368 17.613 19.000 -0.033 0.000 0.818 917 A HN 0.854 nan 8.150 nan 0.000 0.443 918 A N -1.462 121.342 122.820 -0.027 0.000 1.929 918 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 918 A C 2.112 179.727 177.584 0.053 0.000 1.176 918 A CA 1.558 53.584 52.037 -0.019 0.000 0.628 918 A CB -0.923 18.010 19.000 -0.111 0.000 0.816 918 A HN 0.771 nan 8.150 nan 0.000 0.444 919 H N 0.108 119.166 119.070 -0.019 0.000 2.321 919 H HA -0.077 4.479 4.556 -0.001 0.000 0.300 919 H C 1.840 177.207 175.328 0.065 0.000 1.087 919 H CA 1.880 57.953 56.048 0.042 0.000 1.319 919 H CB -0.034 29.746 29.762 0.030 0.000 1.379 919 H HN 0.435 nan 8.280 nan 0.000 0.501 920 K N 0.193 120.560 120.400 -0.054 0.000 2.097 920 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 920 K C 2.396 178.965 176.600 -0.051 0.000 1.049 920 K CA 0.875 57.112 56.287 -0.082 0.000 0.933 920 K CB -0.054 32.443 32.500 -0.005 0.000 0.717 920 K HN 0.271 nan 8.250 nan 0.000 0.442 921 A N 0.894 123.707 122.820 -0.012 0.000 1.902 921 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 921 A C 2.223 179.815 177.584 0.014 0.000 1.181 921 A CA 2.031 54.075 52.037 0.013 0.000 0.623 921 A CB -0.676 18.344 19.000 0.035 0.000 0.818 921 A HN 0.280 nan 8.150 nan 0.000 0.443 922 S N -0.644 115.067 115.700 0.019 0.000 2.368 922 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 922 S C 2.143 176.737 174.600 -0.009 0.000 1.030 922 S CA 1.764 59.991 58.200 0.045 0.000 0.999 922 S CB -0.415 62.856 63.200 0.120 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.575 120.322 119.800 -0.087 0.000 2.170 923 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 923 Q C 2.489 178.456 176.000 -0.056 0.000 0.976 923 Q CA 1.663 57.419 55.803 -0.077 0.000 0.858 923 Q CB -0.311 28.359 28.738 -0.112 0.000 0.907 923 Q HN 0.810 nan 8.270 nan 0.000 0.433 924 S N 0.187 115.861 115.700 -0.042 0.000 2.423 924 S HA -0.076 4.394 4.470 -0.001 0.000 0.231 924 S C 1.848 176.411 174.600 -0.062 0.000 1.014 924 S CA 0.651 58.826 58.200 -0.042 0.000 0.965 924 S CB -0.204 62.986 63.200 -0.017 0.000 0.785 924 S HN 0.282 nan 8.310 nan 0.000 0.495 925 L N 0.025 121.219 121.223 -0.047 0.000 2.127 925 L HA 0.226 4.566 4.340 -0.001 0.000 0.203 925 L C 2.507 179.321 176.870 -0.094 0.000 1.080 925 L CA 0.762 55.568 54.840 -0.056 0.000 0.768 925 L CB -0.337 41.706 42.059 -0.025 0.000 0.924 925 L HN 0.285 nan 8.230 nan 0.000 0.444 926 L N -1.268 119.904 121.223 -0.084 0.000 2.249 926 L HA 0.039 4.378 4.340 -0.001 0.000 0.207 926 L C 0.156 176.920 176.870 -0.176 0.000 1.090 926 L CA 0.739 55.516 54.840 -0.106 0.000 0.802 926 L CB 0.134 42.157 42.059 -0.060 0.000 0.947 926 L HN 0.198 nan 8.230 nan 0.000 0.453 927 D N 0.450 120.736 120.400 -0.191 0.000 2.613 927 D HA 0.232 4.871 4.640 -0.001 0.000 0.312 927 D C -2.358 173.755 176.300 -0.312 0.000 1.202 927 D CA -0.988 52.839 54.000 -0.289 0.000 0.825 927 D CB 1.321 42.136 40.800 0.026 0.000 1.113 927 D HN 0.053 nan 8.370 nan 0.000 0.502 928 P HA 0.118 nan 4.420 nan 0.000 0.273 928 P C 0.620 177.819 177.300 -0.170 0.000 1.250 928 P CA -0.496 62.462 63.100 -0.236 0.000 0.793 928 P CB 1.510 33.078 31.700 -0.221 0.000 1.011 929 L N 0.840 122.012 121.223 -0.085 0.000 2.514 929 L HA 0.058 4.398 4.340 -0.001 0.000 0.280 929 L C 0.892 177.762 176.870 -0.001 0.000 1.223 929 L CA 0.542 55.373 54.840 -0.015 0.000 0.864 929 L CB -0.349 41.709 42.059 -0.003 0.000 1.118 929 L HN 0.278 nan 8.230 nan 0.000 0.494 930 D N 3.311 123.776 120.400 0.108 0.000 2.210 930 D HA 0.331 4.970 4.640 -0.001 0.000 0.249 930 D C -0.333 175.952 176.300 -0.026 0.000 1.062 930 D CA -0.316 53.686 54.000 0.003 0.000 0.891 930 D CB 1.712 42.569 40.800 0.095 0.000 1.186 930 D HN 0.373 nan 8.370 nan 0.000 0.432 931 K N 1.507 121.753 120.400 -0.257 0.000 2.345 931 K HA 0.471 4.790 4.320 -0.001 0.000 0.255 931 K C -1.001 175.475 176.600 -0.208 0.000 0.934 931 K CA -0.656 55.608 56.287 -0.038 0.000 0.801 931 K CB 1.588 34.030 32.500 -0.097 0.000 1.137 931 K HN 0.228 nan 8.250 nan 0.000 0.424 932 F N 2.590 122.708 119.950 0.281 0.000 2.520 932 F HA 0.493 5.020 4.527 -0.001 0.000 0.322 932 F C 0.008 176.074 175.800 0.445 0.000 1.103 932 F CA -0.890 57.266 58.000 0.259 0.000 0.926 932 F CB 1.298 40.271 39.000 -0.046 0.000 1.154 932 F HN 0.201 nan 8.300 nan 0.000 0.453 933 I N 3.525 124.463 120.570 0.613 0.000 2.362 933 I HA 0.217 4.386 4.170 -0.001 0.000 0.289 933 I C -0.553 175.853 176.117 0.483 0.000 0.994 933 I CA -0.831 60.764 61.300 0.492 0.000 1.158 933 I CB 1.215 39.405 38.000 0.316 0.000 1.315 933 I HN 0.440 nan 8.210 nan 0.000 0.451 934 F N 5.786 125.914 119.950 0.297 0.000 2.578 934 F HA 0.163 4.689 4.527 -0.001 0.000 0.381 934 F C 1.236 176.969 175.800 -0.111 0.000 1.069 934 F CA 0.186 58.074 58.000 -0.186 0.000 1.231 934 F CB 1.134 40.047 39.000 -0.145 0.000 1.086 934 F HN 0.618 nan 8.300 nan 0.000 0.564 935 A N 4.561 126.826 122.820 -0.925 0.000 1.898 935 A HA 0.008 4.328 4.320 -0.001 0.000 0.214 935 A C 1.012 178.348 177.584 -0.413 0.000 1.183 935 A CA 0.710 52.420 52.037 -0.545 0.000 0.622 935 A CB -0.516 18.135 19.000 -0.582 0.000 0.824 935 A HN 0.799 nan 8.150 nan 0.000 0.444 936 E N -0.550 119.256 120.200 -0.658 0.000 2.385 936 E HA 0.155 4.504 4.350 -0.001 0.000 0.254 936 E C 0.338 177.061 176.600 0.204 0.000 1.228 936 E CA -0.538 55.787 56.400 -0.125 0.000 0.956 936 E CB 0.221 29.915 29.700 -0.010 0.000 1.116 936 E HN 0.239 nan 8.360 nan 0.000 0.507 937 N N 0.463 119.294 118.700 0.217 0.000 2.216 937 N HA -0.082 4.658 4.740 -0.001 0.000 0.183 937 N C -0.272 175.399 175.510 0.269 0.000 1.017 937 N CA 0.948 54.129 53.050 0.218 0.000 0.861 937 N CB 0.203 38.772 38.487 0.137 0.000 0.986 937 N HN 0.429 nan 8.380 nan 0.000 0.428 938 E N -0.709 119.673 120.200 0.302 0.000 2.256 938 E HA 0.112 4.461 4.350 -0.001 0.000 0.268 938 E C -1.521 175.178 176.600 0.165 0.000 0.877 938 E CA -0.714 55.788 56.400 0.169 0.000 0.757 938 E CB 1.108 30.869 29.700 0.101 0.000 1.183 938 E HN 0.013 nan 8.360 nan 0.000 0.418 939 W N 7.985 128.967 121.300 -0.529 0.000 2.316 939 W HA 0.396 5.055 4.660 -0.001 0.000 0.339 939 W C -1.267 175.051 176.519 -0.336 0.000 1.002 939 W CA -1.443 55.442 57.345 -0.767 0.000 1.465 939 W CB -0.128 28.381 29.460 -1.585 0.000 1.300 939 W HN 0.465 nan 8.180 nan 0.000 0.378 940 I N 6.194 126.867 120.570 0.171 0.000 2.496 940 I HA 0.239 4.409 4.170 -0.001 0.000 0.285 940 I C 1.497 177.596 176.117 -0.030 0.000 1.080 940 I CA 1.011 62.332 61.300 0.034 0.000 1.404 940 I CB 0.494 38.542 38.000 0.081 0.000 1.403 940 I HN 0.783 nan 8.210 nan 0.000 0.539 941 G N 4.319 113.013 108.800 -0.177 0.000 2.143 941 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.249 941 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.249 941 G C 0.403 175.045 174.900 -0.430 0.000 0.981 941 G CA -0.090 44.882 45.100 -0.212 0.000 0.665 941 G HN 1.003 nan 8.290 nan 0.000 0.528 942 A N -0.441 121.868 122.820 -0.852 0.000 2.531 942 A HA 0.561 4.880 4.320 -0.001 0.000 0.236 942 A C 0.582 177.729 177.584 -0.728 0.000 1.062 942 A CA 0.844 52.009 52.037 -1.454 0.000 0.760 942 A CB 0.249 18.079 19.000 -1.950 0.000 0.995 942 A HN 0.644 nan 8.150 nan 0.000 0.501 943 Q N 0.685 120.132 119.800 -0.589 0.000 2.351 943 Q HA 0.531 4.870 4.340 -0.001 0.000 0.273 943 Q C 1.111 176.988 176.000 -0.205 0.000 1.077 943 Q CA -0.223 55.407 55.803 -0.289 0.000 0.843 943 Q CB 1.923 30.560 28.738 -0.169 0.000 1.367 943 Q HN 0.792 nan 8.270 nan 0.000 0.449 944 G N 0.011 108.731 108.800 -0.133 0.000 2.603 944 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.214 944 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.214 944 G C 0.165 175.033 174.900 -0.053 0.000 1.140 944 G CA 0.542 45.580 45.100 -0.104 0.000 0.800 944 G HN 0.429 nan 8.290 nan 0.000 0.533 945 Q N -1.360 118.425 119.800 -0.025 0.000 2.479 945 Q HA 0.511 4.851 4.340 -0.001 0.000 0.276 945 Q C -2.373 173.645 176.000 0.029 0.000 0.989 945 Q CA -0.912 54.891 55.803 -0.000 0.000 0.864 945 Q CB 2.217 30.941 28.738 -0.024 0.000 1.444 945 Q HN 0.056 nan 8.270 nan 0.000 0.388 946 F N 1.349 121.201 119.950 -0.162 0.000 2.556 946 F HA 0.645 5.172 4.527 -0.001 0.000 0.314 946 F C 0.528 176.075 175.800 -0.422 0.000 1.106 946 F CA 0.472 58.309 58.000 -0.271 0.000 0.911 946 F CB 2.062 40.910 39.000 -0.253 0.000 1.190 946 F HN 0.680 nan 8.300 nan 0.000 0.448 947 G N 3.097 110.935 108.800 -1.604 0.000 2.141 947 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.231 947 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.231 947 G C 1.033 175.269 174.900 -1.107 0.000 0.984 947 G CA 0.266 44.134 45.100 -2.054 0.000 0.660 947 G HN 1.560 nan 8.290 nan 0.000 0.525 948 G N 1.165 109.604 108.800 -0.603 0.000 2.462 948 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.220 948 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.220 948 G C 1.255 176.091 174.900 -0.106 0.000 1.121 948 G CA 1.793 46.767 45.100 -0.210 0.000 0.758 948 G HN 0.841 nan 8.290 nan 0.000 0.559 949 D N -0.679 119.577 120.400 -0.240 0.000 2.349 949 D HA 0.013 4.653 4.640 -0.001 0.000 0.214 949 D C 0.094 176.388 176.300 -0.011 0.000 1.063 949 D CA -0.430 53.517 54.000 -0.088 0.000 0.847 949 D CB -0.480 40.274 40.800 -0.077 0.000 0.933 949 D HN 0.180 nan 8.370 nan 0.000 0.513 950 H N 1.818 120.778 119.070 -0.184 0.000 2.848 950 H HA 0.295 4.850 4.556 -0.001 0.000 0.341 950 H C -1.953 173.341 175.328 -0.058 0.000 1.060 950 H CA -2.036 53.926 56.048 -0.143 0.000 1.444 950 H CB -0.014 29.611 29.762 -0.227 0.000 1.446 950 H HN 0.047 nan 8.280 nan 0.000 0.583 951 P HA -0.016 nan 4.420 nan 0.000 0.268 951 P C -0.167 177.198 177.300 0.107 0.000 1.205 951 P CA -0.010 63.148 63.100 0.096 0.000 0.771 951 P CB 0.674 32.409 31.700 0.057 0.000 0.858 952 S N 2.210 118.009 115.700 0.165 0.000 2.415 952 S HA 0.573 5.043 4.470 -0.001 0.000 0.313 952 S C 0.027 174.737 174.600 0.184 0.000 1.067 952 S CA -0.569 57.761 58.200 0.217 0.000 1.099 952 S CB -0.675 62.768 63.200 0.404 0.000 0.991 952 S HN 0.497 nan 8.310 nan 0.000 0.491 953 A N 4.837 127.757 122.820 0.168 0.000 2.332 953 A HA 0.531 4.850 4.320 -0.001 0.000 0.258 953 A C 0.547 178.201 177.584 0.117 0.000 1.087 953 A CA -0.772 51.341 52.037 0.127 0.000 0.802 953 A CB 0.222 19.293 19.000 0.119 0.000 1.042 953 A HN 0.957 nan 8.150 nan 0.000 0.489 954 R N 0.682 121.218 120.500 0.061 0.000 2.697 954 R HA -0.035 4.305 4.340 -0.001 0.000 0.265 954 R C 0.572 176.884 176.300 0.020 0.000 1.009 954 R CA 0.798 56.908 56.100 0.016 0.000 1.099 954 R CB 0.129 30.422 30.300 -0.011 0.000 0.965 954 R HN 0.898 nan 8.270 nan 0.000 0.428 955 E N 1.452 121.625 120.200 -0.044 0.000 2.265 955 E HA -0.233 4.116 4.350 -0.001 0.000 0.196 955 E C 0.285 176.917 176.600 0.053 0.000 0.996 955 E CA 1.495 57.852 56.400 -0.072 0.000 0.832 955 E CB -0.117 29.517 29.700 -0.110 0.000 0.756 955 E HN 0.844 nan 8.360 nan 0.000 0.491 956 D N 0.661 121.052 120.400 -0.015 0.000 2.340 956 D HA -0.007 4.633 4.640 -0.001 0.000 0.220 956 D C 0.331 176.626 176.300 -0.008 0.000 1.039 956 D CA -0.117 53.831 54.000 -0.086 0.000 0.866 956 D CB -0.017 40.676 40.800 -0.178 0.000 0.913 956 D HN 0.179 nan 8.370 nan 0.000 0.523 957 L N 0.835 122.104 121.223 0.078 0.000 2.295 957 L HA 0.515 4.854 4.340 -0.001 0.000 0.285 957 L C -1.170 175.828 176.870 0.214 0.000 1.035 957 L CA -0.479 54.426 54.840 0.108 0.000 0.806 957 L CB 1.666 43.776 42.059 0.084 0.000 1.214 957 L HN -0.223 nan 8.230 nan 0.000 0.426 958 D N 2.568 123.116 120.400 0.247 0.000 2.575 958 D HA 0.372 5.011 4.640 -0.001 0.000 0.236 958 D C -1.269 175.193 176.300 0.270 0.000 1.075 958 D CA -0.261 53.908 54.000 0.283 0.000 0.860 958 D CB 2.411 43.426 40.800 0.359 0.000 1.475 958 D HN 0.245 nan 8.370 nan 0.000 0.474 959 V N 3.516 123.567 119.914 0.228 0.000 2.299 959 V HA 0.124 4.243 4.120 -0.001 0.000 0.255 959 V C 1.295 177.527 176.094 0.231 0.000 1.100 959 V CA -0.019 62.426 62.300 0.242 0.000 0.938 959 V CB 0.478 32.429 31.823 0.213 0.000 1.139 959 V HN 0.583 nan 8.190 nan 0.000 0.490 960 S N 3.154 119.020 115.700 0.277 0.000 2.383 960 S HA 0.002 4.471 4.470 -0.001 0.000 0.227 960 S C 0.657 175.321 174.600 0.106 0.000 1.026 960 S CA 0.818 59.139 58.200 0.202 0.000 0.981 960 S CB 0.195 63.580 63.200 0.309 0.000 0.818 960 S HN 0.499 nan 8.310 nan 0.000 0.472 961 V N 1.569 121.584 119.914 0.168 0.000 2.686 961 V HA 0.523 4.642 4.120 -0.001 0.000 0.306 961 V C -0.779 175.393 176.094 0.130 0.000 1.065 961 V CA -0.532 61.844 62.300 0.127 0.000 0.894 961 V CB 1.876 33.803 31.823 0.173 0.000 1.004 961 V HN 0.361 nan 8.190 nan 0.000 0.424 962 M N 5.644 125.241 119.600 -0.006 0.000 2.197 962 M HA 0.673 5.152 4.480 -0.001 0.000 0.301 962 M C -1.058 175.076 176.300 -0.276 0.000 0.987 962 M CA -0.502 54.663 55.300 -0.225 0.000 0.921 962 M CB 1.440 33.914 32.600 -0.208 0.000 1.569 962 M HN 0.744 nan 8.290 nan 0.000 0.431 963 R N 4.073 124.339 120.500 -0.390 0.000 2.515 963 R HA 0.423 4.763 4.340 -0.001 0.000 0.291 963 R C -1.351 174.724 176.300 -0.375 0.000 1.046 963 R CA -0.680 55.243 56.100 -0.295 0.000 0.914 963 R CB 1.802 32.010 30.300 -0.154 0.000 1.191 963 R HN 0.891 nan 8.270 nan 0.000 0.435 964 R N 4.560 124.896 120.500 -0.274 0.000 2.401 964 R HA 0.119 4.458 4.340 -0.001 0.000 0.299 964 R C 0.266 176.460 176.300 -0.177 0.000 1.064 964 R CA 0.102 56.070 56.100 -0.221 0.000 1.000 964 R CB 0.591 30.817 30.300 -0.124 0.000 0.973 964 R HN 0.702 nan 8.270 nan 0.000 0.438 965 L N 3.024 124.134 121.223 -0.189 0.000 2.554 965 L HA 0.130 4.470 4.340 -0.001 0.000 0.225 965 L C 0.407 177.228 176.870 -0.081 0.000 1.104 965 L CA 0.083 54.834 54.840 -0.149 0.000 0.866 965 L CB 0.310 42.248 42.059 -0.201 0.000 1.047 965 L HN 0.699 nan 8.230 nan 0.000 0.468 966 T N -2.635 111.881 114.554 -0.063 0.000 2.885 966 T HA 0.449 4.799 4.350 -0.001 0.000 0.285 966 T C -0.210 174.484 174.700 -0.009 0.000 1.019 966 T CA -0.922 61.160 62.100 -0.031 0.000 1.010 966 T CB 2.412 71.267 68.868 -0.021 0.000 1.022 966 T HN -0.081 nan 8.240 nan 0.000 0.466 967 K N 0.867 121.268 120.400 0.001 0.000 2.117 967 K HA 0.330 4.650 4.320 -0.001 0.000 0.240 967 K C 1.680 178.296 176.600 0.026 0.000 1.031 967 K CA -0.267 56.032 56.287 0.020 0.000 0.909 967 K CB 0.552 33.062 32.500 0.017 0.000 1.097 967 K HN 0.798 nan 8.250 nan 0.000 0.492 968 S N -0.598 115.126 115.700 0.040 0.000 2.423 968 S HA -0.151 4.318 4.470 -0.001 0.000 0.231 968 S C 1.804 176.420 174.600 0.027 0.000 1.014 968 S CA 1.505 59.727 58.200 0.038 0.000 0.965 968 S CB -0.380 62.850 63.200 0.049 0.000 0.785 968 S HN 0.631 nan 8.310 nan 0.000 0.495 969 S N 1.664 117.379 115.700 0.024 0.000 2.515 969 S HA 0.403 4.872 4.470 -0.001 0.000 0.231 969 S C 0.837 175.446 174.600 0.014 0.000 0.987 969 S CA 0.092 58.304 58.200 0.019 0.000 0.936 969 S CB -0.664 62.547 63.200 0.019 0.000 0.766 969 S HN 0.785 nan 8.310 nan 0.000 0.528 970 A N 1.860 124.687 122.820 0.012 0.000 2.451 970 A HA 0.365 4.684 4.320 -0.001 0.000 0.266 970 A C 1.161 178.753 177.584 0.013 0.000 1.119 970 A CA -0.480 51.561 52.037 0.008 0.000 0.786 970 A CB 0.157 19.159 19.000 0.003 0.000 1.061 970 A HN 0.427 nan 8.150 nan 0.000 0.503 971 K N 1.192 121.599 120.400 0.011 0.000 2.063 971 K HA -0.095 4.225 4.320 -0.001 0.000 0.208 971 K C 0.145 176.757 176.600 0.020 0.000 1.048 971 K CA 1.620 57.916 56.287 0.014 0.000 0.928 971 K CB -0.082 32.424 32.500 0.011 0.000 0.713 971 K HN 0.694 nan 8.250 nan 0.000 0.442 972 T N 2.376 116.940 114.554 0.016 0.000 2.753 972 T HA 0.163 4.512 4.350 -0.001 0.000 0.297 972 T C -0.425 174.291 174.700 0.028 0.000 0.981 972 T CA -0.582 61.531 62.100 0.021 0.000 0.956 972 T CB 1.312 70.184 68.868 0.007 0.000 0.936 972 T HN -0.015 nan 8.240 nan 0.000 0.463 973 Q N 2.794 122.628 119.800 0.057 0.000 2.293 973 Q HA 0.406 4.745 4.340 -0.001 0.000 0.251 973 Q C 0.073 176.127 176.000 0.091 0.000 0.930 973 Q CA 0.019 55.857 55.803 0.060 0.000 0.893 973 Q CB 1.387 30.160 28.738 0.058 0.000 1.215 973 Q HN 0.548 nan 8.270 nan 0.000 0.425 974 R N 0.436 120.955 120.500 0.031 0.000 2.621 974 R HA 0.655 4.994 4.340 -0.001 0.000 0.292 974 R C -1.044 175.208 176.300 -0.080 0.000 0.969 974 R CA -0.668 55.434 56.100 0.002 0.000 0.887 974 R CB 1.841 32.111 30.300 -0.051 0.000 1.180 974 R HN 0.253 nan 8.270 nan 0.000 0.450 975 V N 1.481 121.340 119.914 -0.090 0.000 2.588 975 V HA 0.604 4.723 4.120 -0.001 0.000 0.304 975 V C 0.201 176.007 176.094 -0.479 0.000 1.042 975 V CA -0.847 61.267 62.300 -0.310 0.000 0.877 975 V CB 2.041 33.687 31.823 -0.296 0.000 0.996 975 V HN 0.946 nan 8.190 nan 0.000 0.425 976 G N 2.927 111.247 108.800 -0.800 0.000 2.371 976 G HA2 0.661 4.620 3.960 -0.001 0.000 0.326 976 G HA3 0.661 4.620 3.960 -0.001 0.000 0.326 976 G C -1.640 172.819 174.900 -0.734 0.000 1.127 976 G CA -0.298 44.162 45.100 -1.067 0.000 0.885 976 G HN 0.512 nan 8.290 nan 0.000 0.477 977 Y N 0.509 120.876 120.300 0.112 0.000 2.391 977 Y HA 0.464 5.013 4.550 -0.001 0.000 0.341 977 Y C -0.115 176.049 175.900 0.441 0.000 0.965 977 Y CA -0.896 57.368 58.100 0.273 0.000 1.067 977 Y CB 2.774 41.363 38.460 0.215 0.000 1.199 977 Y HN 0.344 nan 8.280 nan 0.000 0.450 978 V N 5.160 125.372 119.914 0.497 0.000 2.370 978 V HA 0.364 4.483 4.120 -0.001 0.000 0.283 978 V C -0.527 175.794 176.094 0.379 0.000 1.023 978 V CA -0.741 61.778 62.300 0.364 0.000 0.857 978 V CB 1.382 33.373 31.823 0.278 0.000 0.985 978 V HN 0.559 nan 8.190 nan 0.000 0.443 979 L N 5.064 126.494 121.223 0.346 0.000 2.313 979 L HA 0.554 4.894 4.340 -0.001 0.000 0.283 979 L C -0.357 176.712 176.870 0.331 0.000 1.013 979 L CA -0.266 54.772 54.840 0.330 0.000 0.816 979 L CB 1.499 43.747 42.059 0.315 0.000 1.236 979 L HN 0.702 nan 8.230 nan 0.000 0.419 980 H N 4.458 123.682 119.070 0.256 0.000 2.547 980 H HA 0.369 4.924 4.556 -0.001 0.000 0.342 980 H C -1.104 174.311 175.328 0.144 0.000 1.048 980 H CA -0.737 55.430 56.048 0.198 0.000 1.204 980 H CB 2.089 32.034 29.762 0.306 0.000 1.493 980 H HN 0.577 nan 8.280 nan 0.000 0.511 981 R N 3.879 124.031 120.500 -0.580 0.000 2.343 981 R HA 0.208 4.548 4.340 -0.001 0.000 0.320 981 R C -0.287 175.585 176.300 -0.713 0.000 0.956 981 R CA -0.384 55.448 56.100 -0.446 0.000 0.836 981 R CB 1.549 31.712 30.300 -0.229 0.000 1.151 981 R HN 0.641 nan 8.270 nan 0.000 0.450 982 T N 1.621 115.908 114.554 -0.445 0.000 2.793 982 T HA 0.171 4.521 4.350 -0.001 0.000 0.299 982 T C -0.501 174.021 174.700 -0.298 0.000 1.038 982 T CA -0.399 61.527 62.100 -0.289 0.000 0.948 982 T CB 0.543 69.323 68.868 -0.146 0.000 1.231 982 T HN 0.683 nan 8.240 nan 0.000 0.538 983 N N 0.524 119.073 118.700 -0.252 0.000 2.399 983 N HA 0.477 5.216 4.740 -0.001 0.000 0.284 983 N C -1.497 173.851 175.510 -0.270 0.000 1.025 983 N CA -0.502 52.343 53.050 -0.341 0.000 0.885 983 N CB 0.700 38.834 38.487 -0.589 0.000 1.339 983 N HN 0.468 nan 8.380 nan 0.000 0.487 984 L N 2.647 123.707 121.223 -0.271 0.000 2.334 984 L HA 0.551 4.891 4.340 -0.001 0.000 0.273 984 L C 0.472 177.215 176.870 -0.212 0.000 1.013 984 L CA -0.992 53.724 54.840 -0.208 0.000 0.816 984 L CB 1.646 43.593 42.059 -0.188 0.000 1.278 984 L HN 0.382 nan 8.230 nan 0.000 0.431 985 M N 1.812 121.308 119.600 -0.174 0.000 2.245 985 M HA 0.097 4.576 4.480 -0.001 0.000 0.344 985 M C -0.158 176.054 176.300 -0.147 0.000 1.170 985 M CA 0.244 55.445 55.300 -0.165 0.000 1.135 985 M CB 0.319 32.829 32.600 -0.149 0.000 1.574 985 M HN 0.530 nan 8.290 nan 0.000 0.452 986 Q N 1.628 121.345 119.800 -0.137 0.000 2.307 986 Q HA 0.172 4.512 4.340 -0.001 0.000 0.259 986 Q C -0.295 175.648 176.000 -0.096 0.000 0.998 986 Q CA -0.240 55.496 55.803 -0.112 0.000 0.923 986 Q CB 0.709 29.385 28.738 -0.104 0.000 1.196 986 Q HN 0.781 nan 8.270 nan 0.000 0.416 987 c N 1.345 119.892 118.600 -0.089 0.000 3.240 987 c HA 0.400 4.969 4.570 -0.001 0.000 0.271 987 c C 1.222 175.273 174.090 -0.065 0.000 1.534 987 c CA -0.082 56.200 56.329 -0.079 0.000 1.796 987 c CB -0.373 42.085 42.510 -0.087 0.000 2.892 987 c HN 1.130 nan 8.230 nan 0.000 0.566 988 G N 1.311 110.074 108.800 -0.063 0.000 2.159 988 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.227 988 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.227 988 G C -0.035 174.834 174.900 -0.051 0.000 0.986 988 G CA 0.276 45.344 45.100 -0.052 0.000 0.651 988 G HN 0.434 nan 8.290 nan 0.000 0.523 989 T N 2.068 116.587 114.554 -0.058 0.000 2.743 989 T HA 0.473 4.822 4.350 -0.001 0.000 0.293 989 T C -0.500 174.162 174.700 -0.064 0.000 0.945 989 T CA -0.522 61.544 62.100 -0.057 0.000 1.030 989 T CB 1.868 70.700 68.868 -0.060 0.000 0.912 989 T HN 0.021 nan 8.240 nan 0.000 0.483 990 P HA -0.111 nan 4.420 nan 0.000 0.216 990 P C -0.036 177.210 177.300 -0.090 0.000 1.153 990 P CA 0.618 63.681 63.100 -0.063 0.000 0.858 990 P CB -0.042 31.629 31.700 -0.048 0.000 0.789 991 E N -0.209 119.925 120.200 -0.109 0.000 2.755 991 E HA -0.203 4.147 4.350 -0.001 0.000 0.164 991 E C -0.353 176.121 176.600 -0.211 0.000 1.934 991 E CA 0.434 56.741 56.400 -0.155 0.000 0.658 991 E CB -0.963 28.665 29.700 -0.121 0.000 1.053 991 E HN 0.469 nan 8.360 nan 0.000 0.334 992 E N 0.979 120.955 120.200 -0.373 0.000 2.390 992 E HA 0.308 4.657 4.350 -0.001 0.000 0.249 992 E C -0.445 175.734 176.600 -0.702 0.000 0.981 992 E CA -0.826 55.327 56.400 -0.412 0.000 0.860 992 E CB 0.659 30.219 29.700 -0.233 0.000 1.278 992 E HN 0.546 nan 8.360 nan 0.000 0.416 993 H N -1.013 118.053 119.070 -0.008 0.000 2.581 993 H HA -0.157 4.398 4.556 -0.001 0.000 0.308 993 H C -1.171 174.166 175.328 0.015 0.000 0.924 993 H CA 0.709 56.757 56.048 0.000 0.000 1.005 993 H CB -2.476 27.282 29.762 -0.005 0.000 1.612 993 H HN 0.481 nan 8.280 nan 0.000 0.332 994 T N 0.350 114.940 114.554 0.061 0.000 2.916 994 T HA 0.588 4.938 4.350 -0.001 0.000 0.292 994 T C -0.088 174.654 174.700 0.070 0.000 1.055 994 T CA -1.158 60.987 62.100 0.075 0.000 1.009 994 T CB 2.945 71.836 68.868 0.038 0.000 1.118 994 T HN 0.560 nan 8.240 nan 0.000 0.497 995 Q N 1.024 120.873 119.800 0.083 0.000 2.222 995 Q HA 0.423 4.763 4.340 -0.001 0.000 0.252 995 Q C -0.319 175.705 176.000 0.040 0.000 0.926 995 Q CA -1.221 54.618 55.803 0.060 0.000 0.899 995 Q CB 1.149 29.931 28.738 0.073 0.000 1.250 995 Q HN 0.358 nan 8.270 nan 0.000 0.441 996 K N 1.682 122.092 120.400 0.017 0.000 2.451 996 K HA 0.048 4.367 4.320 -0.001 0.000 0.280 996 K C -0.562 176.036 176.600 -0.003 0.000 1.020 996 K CA -0.117 56.170 56.287 -0.000 0.000 1.008 996 K CB 0.222 32.711 32.500 -0.018 0.000 0.917 996 K HN 0.398 nan 8.250 nan 0.000 0.478 997 L N 3.564 124.783 121.223 -0.007 0.000 2.257 997 L HA 0.203 4.542 4.340 -0.001 0.000 0.290 997 L C -0.593 176.237 176.870 -0.068 0.000 1.044 997 L CA -0.180 54.646 54.840 -0.022 0.000 0.810 997 L CB 0.821 42.880 42.059 -0.001 0.000 1.193 997 L HN 0.408 nan 8.230 nan 0.000 0.425 998 D N 3.478 123.831 120.400 -0.079 0.000 2.460 998 D HA 0.166 4.805 4.640 -0.001 0.000 0.232 998 D C 1.074 177.276 176.300 -0.163 0.000 1.079 998 D CA -0.300 53.631 54.000 -0.115 0.000 0.864 998 D CB 1.296 42.069 40.800 -0.045 0.000 1.048 998 D HN 0.381 nan 8.370 nan 0.000 0.523 999 V N 1.413 121.134 119.914 -0.321 0.000 2.720 999 V HA -0.159 3.961 4.120 -0.001 0.000 0.256 999 V C 2.085 177.875 176.094 -0.508 0.000 1.082 999 V CA 0.979 62.915 62.300 -0.607 0.000 1.101 999 V CB -1.038 30.151 31.823 -1.055 0.000 0.693 999 V HN 0.615 nan 8.190 nan 0.000 0.479 1000 c N 0.557 118.991 118.600 -0.276 0.000 2.456 1000 c HA 0.047 4.617 4.570 -0.001 0.000 0.279 1000 c C 2.113 176.096 174.090 -0.179 0.000 1.427 1000 c CA 1.149 57.377 56.329 -0.169 0.000 1.778 1000 c CB -1.772 40.618 42.510 -0.199 0.000 1.842 1000 c HN 0.762 nan 8.230 nan 0.000 0.531 1001 H N -1.041 118.004 119.070 -0.042 0.000 2.542 1001 H HA 0.260 4.815 4.556 -0.001 0.000 0.283 1001 H C 1.746 177.106 175.328 0.053 0.000 1.059 1001 H CA -0.024 56.040 56.048 0.026 0.000 1.162 1001 H CB 0.082 29.840 29.762 -0.007 0.000 1.539 1001 H HN 0.331 nan 8.280 nan 0.000 0.543 1002 L N -0.090 121.194 121.223 0.102 0.000 2.141 1002 L HA -0.029 4.311 4.340 -0.001 0.000 0.209 1002 L C 0.211 177.224 176.870 0.238 0.000 1.094 1002 L CA 0.910 55.832 54.840 0.137 0.000 0.763 1002 L CB 0.109 42.206 42.059 0.063 0.000 0.908 1002 L HN 0.213 nan 8.230 nan 0.000 0.437 1003 L N 0.044 121.369 121.223 0.171 0.000 2.334 1003 L HA 0.367 4.707 4.340 -0.001 0.000 0.275 1003 L C -2.039 174.884 176.870 0.088 0.000 1.036 1003 L CA -2.011 52.857 54.840 0.047 0.000 0.807 1003 L CB 1.456 43.310 42.059 -0.342 0.000 1.231 1003 L HN -0.190 nan 8.230 nan 0.000 0.438 1004 P HA 0.110 nan 4.420 nan 0.000 0.274 1004 P C -0.874 176.542 177.300 0.194 0.000 1.256 1004 P CA -0.237 62.937 63.100 0.124 0.000 0.795 1004 P CB 0.343 32.092 31.700 0.082 0.000 1.038 1005 N N -3.183 115.613 118.700 0.160 0.000 2.758 1005 N HA -0.150 4.590 4.740 -0.001 0.000 0.248 1005 N C -0.015 175.578 175.510 0.139 0.000 1.076 1005 N CA 0.084 53.216 53.050 0.137 0.000 0.696 1005 N CB -2.026 36.529 38.487 0.114 0.000 0.979 1005 N HN 0.252 nan 8.380 nan 0.000 0.550 1006 V N -0.018 119.930 119.914 0.057 0.000 2.585 1006 V HA 0.358 4.477 4.120 -0.001 0.000 0.296 1006 V C 1.212 177.202 176.094 -0.173 0.000 1.035 1006 V CA 1.193 63.350 62.300 -0.239 0.000 1.084 1006 V CB 1.155 32.726 31.823 -0.420 0.000 0.953 1006 V HN 0.454 nan 8.190 nan 0.000 0.483 1007 A N 7.159 129.856 122.820 -0.204 0.000 2.192 1007 A HA 0.469 4.788 4.320 -0.001 0.000 0.208 1007 A C 0.708 178.247 177.584 -0.075 0.000 1.220 1007 A CA 0.408 52.388 52.037 -0.095 0.000 0.900 1007 A CB 0.234 19.199 19.000 -0.058 0.000 0.937 1007 A HN 0.960 nan 8.150 nan 0.000 0.487 1008 R N -2.397 118.024 120.500 -0.131 0.000 2.690 1008 R HA 0.607 4.946 4.340 -0.001 0.000 0.269 1008 R C -1.687 174.534 176.300 -0.132 0.000 1.037 1008 R CA -0.399 55.659 56.100 -0.070 0.000 0.877 1008 R CB 0.570 30.918 30.300 0.080 0.000 1.255 1008 R HN 0.243 nan 8.270 nan 0.000 0.467 1009 c N 1.554 120.077 118.600 -0.127 0.000 2.481 1009 c HA 0.629 5.198 4.570 -0.001 0.000 0.324 1009 c C -1.232 172.844 174.090 -0.024 0.000 1.170 1009 c CA -0.145 56.133 56.329 -0.086 0.000 1.361 1009 c CB 1.409 43.839 42.510 -0.134 0.000 1.977 1009 c HN 0.847 nan 8.230 nan 0.000 0.459 1010 E N 3.596 123.853 120.200 0.094 0.000 2.248 1010 E HA 0.355 4.705 4.350 -0.001 0.000 0.267 1010 E C -0.855 175.889 176.600 0.240 0.000 0.877 1010 E CA -0.581 55.906 56.400 0.145 0.000 0.759 1010 E CB 2.279 32.061 29.700 0.136 0.000 1.182 1010 E HN 0.703 nan 8.360 nan 0.000 0.418 1011 R N 1.207 121.840 120.500 0.221 0.000 2.390 1011 R HA 0.273 4.613 4.340 -0.001 0.000 0.291 1011 R C -0.079 176.251 176.300 0.049 0.000 1.070 1011 R CA 0.209 56.377 56.100 0.112 0.000 1.014 1011 R CB 0.544 30.888 30.300 0.072 0.000 1.007 1011 R HN 0.656 nan 8.270 nan 0.000 0.466 1012 T N -0.330 114.227 114.554 0.005 0.000 2.907 1012 T HA 0.333 4.682 4.350 -0.001 0.000 0.290 1012 T C 0.133 174.819 174.700 -0.022 0.000 1.066 1012 T CA -0.806 61.321 62.100 0.045 0.000 1.012 1012 T CB 1.431 70.396 68.868 0.162 0.000 1.184 1012 T HN 0.610 nan 8.240 nan 0.000 0.522 1013 T N 0.214 114.759 114.554 -0.015 0.000 2.791 1013 T HA 0.186 4.535 4.350 -0.001 0.000 0.323 1013 T C 1.585 176.208 174.700 -0.128 0.000 1.082 1013 T CA -0.655 61.413 62.100 -0.054 0.000 1.084 1013 T CB -0.065 68.788 68.868 -0.025 0.000 0.992 1013 T HN 0.568 nan 8.240 nan 0.000 0.547 1014 L N 1.164 122.294 121.223 -0.155 0.000 2.362 1014 L HA -0.030 4.309 4.340 -0.001 0.000 0.219 1014 L C 2.864 179.437 176.870 -0.495 0.000 1.134 1014 L CA 1.403 56.082 54.840 -0.269 0.000 0.807 1014 L CB -1.000 40.984 42.059 -0.124 0.000 0.927 1014 L HN 0.990 nan 8.230 nan 0.000 0.447 1015 T N -4.693 109.678 114.554 -0.304 0.000 3.129 1015 T HA 0.020 4.370 4.350 -0.001 0.000 0.251 1015 T C 0.851 175.443 174.700 -0.181 0.000 1.117 1015 T CA -0.148 61.803 62.100 -0.247 0.000 1.034 1015 T CB -0.318 68.530 68.868 -0.033 0.000 0.968 1015 T HN 0.327 nan 8.240 nan 0.000 0.526 1016 F N -0.877 119.087 119.950 0.022 0.000 2.794 1016 F HA -0.221 4.305 4.527 -0.001 0.000 0.335 1016 F C 1.120 176.922 175.800 0.004 0.000 0.653 1016 F CA 0.154 58.160 58.000 0.009 0.000 1.266 1016 F CB -2.140 36.861 39.000 0.001 0.000 1.666 1016 F HN 0.204 nan 8.300 nan 0.000 0.314 1017 L N -0.537 120.760 121.223 0.124 0.000 2.446 1017 L HA 0.078 4.417 4.340 -0.001 0.000 0.219 1017 L C 1.015 177.912 176.870 0.044 0.000 1.116 1017 L CA 0.990 55.875 54.840 0.075 0.000 0.844 1017 L CB 0.135 42.221 42.059 0.045 0.000 0.970 1017 L HN 0.313 nan 8.230 nan 0.000 0.457 1018 Q N 0.487 120.313 119.800 0.043 0.000 2.305 1018 Q HA 0.262 4.602 4.340 -0.001 0.000 0.271 1018 Q C -1.186 174.837 176.000 0.039 0.000 1.046 1018 Q CA -0.717 55.101 55.803 0.025 0.000 0.798 1018 Q CB 1.861 30.599 28.738 -0.000 0.000 1.286 1018 Q HN 0.077 nan 8.270 nan 0.000 0.435 1019 N N 4.401 123.125 118.700 0.040 0.000 2.470 1019 N HA 0.165 4.905 4.740 -0.001 0.000 0.268 1019 N C 0.351 175.885 175.510 0.040 0.000 1.136 1019 N CA 0.251 53.333 53.050 0.053 0.000 0.961 1019 N CB 1.022 39.544 38.487 0.059 0.000 1.067 1019 N HN 0.639 nan 8.380 nan 0.000 0.468 1020 L N 0.832 122.080 121.223 0.043 0.000 2.500 1020 L HA 0.274 4.613 4.340 -0.001 0.000 0.219 1020 L C 0.148 177.046 176.870 0.048 0.000 1.057 1020 L CA 0.642 55.499 54.840 0.029 0.000 0.854 1020 L CB 0.244 42.308 42.059 0.008 0.000 1.078 1020 L HN 0.396 nan 8.230 nan 0.000 0.480 1021 E N -1.072 119.174 120.200 0.076 0.000 2.311 1021 E HA 0.210 4.559 4.350 -0.001 0.000 0.281 1021 E C -1.469 175.213 176.600 0.137 0.000 0.905 1021 E CA -0.556 55.902 56.400 0.096 0.000 0.778 1021 E CB 2.191 31.942 29.700 0.086 0.000 1.240 1021 E HN 0.001 nan 8.360 nan 0.000 0.410 1022 H N 3.233 122.328 119.070 0.042 0.000 2.668 1022 H HA 0.322 4.878 4.556 -0.001 0.000 0.303 1022 H C -0.981 174.371 175.328 0.040 0.000 1.074 1022 H CA -0.075 55.995 56.048 0.037 0.000 1.406 1022 H CB 0.406 30.180 29.762 0.020 0.000 1.442 1022 H HN 0.305 nan 8.280 nan 0.000 0.482 1023 L N 5.074 126.082 121.223 -0.358 0.000 2.264 1023 L HA 0.207 4.546 4.340 -0.001 0.000 0.289 1023 L C 0.011 176.720 176.870 -0.269 0.000 1.044 1023 L CA -0.848 53.866 54.840 -0.210 0.000 0.807 1023 L CB 0.970 42.964 42.059 -0.107 0.000 1.192 1023 L HN 0.675 nan 8.230 nan 0.000 0.425 1024 D N 2.389 122.713 120.400 -0.127 0.000 2.424 1024 D HA 0.266 4.906 4.640 -0.001 0.000 0.244 1024 D C 1.105 177.370 176.300 -0.058 0.000 1.134 1024 D CA 1.294 55.249 54.000 -0.075 0.000 0.881 1024 D CB 1.340 42.129 40.800 -0.019 0.000 1.191 1024 D HN 0.786 nan 8.370 nan 0.000 0.445 1025 G N 2.907 111.685 108.800 -0.036 0.000 2.184 1025 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.264 1025 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.264 1025 G C 0.771 175.691 174.900 0.033 0.000 0.975 1025 G CA 0.349 45.449 45.100 -0.000 0.000 0.642 1025 G HN 0.647 nan 8.290 nan 0.000 0.536 1026 M N -2.187 117.386 119.600 -0.045 0.000 2.393 1026 M HA -0.189 4.290 4.480 -0.001 0.000 0.201 1026 M C 0.031 176.331 176.300 -0.000 0.000 0.403 1026 M CA 0.922 56.175 55.300 -0.077 0.000 0.471 1026 M CB -1.645 30.887 32.600 -0.114 0.000 1.669 1026 M HN 0.255 nan 8.290 nan 0.000 0.864 1027 V N 0.759 120.664 119.914 -0.015 0.000 2.384 1027 V HA 0.703 4.822 4.120 -0.001 0.000 0.287 1027 V C 0.611 176.612 176.094 -0.154 0.000 1.020 1027 V CA -0.399 61.886 62.300 -0.025 0.000 0.850 1027 V CB 1.746 33.554 31.823 -0.025 0.000 0.987 1027 V HN 0.391 nan 8.190 nan 0.000 0.436 1028 A N 8.397 131.043 122.820 -0.290 0.000 2.350 1028 A HA 0.660 4.980 4.320 -0.001 0.000 0.293 1028 A C -2.162 175.154 177.584 -0.446 0.000 1.231 1028 A CA -1.269 50.376 52.037 -0.652 0.000 0.883 1028 A CB -0.073 18.238 19.000 -1.149 0.000 1.133 1028 A HN 0.609 nan 8.150 nan 0.000 0.533 1029 P HA 0.163 nan 4.420 nan 0.000 0.276 1029 P C -0.206 177.082 177.300 -0.019 0.000 1.230 1029 P CA -0.143 62.906 63.100 -0.085 0.000 0.776 1029 P CB 0.701 32.401 31.700 0.001 0.000 0.888 1030 E N 0.437 120.632 120.200 -0.009 0.000 2.438 1030 E HA 0.122 4.471 4.350 -0.001 0.000 0.261 1030 E C 0.398 177.043 176.600 0.074 0.000 1.103 1030 E CA -0.399 56.023 56.400 0.037 0.000 0.959 1030 E CB 0.459 30.165 29.700 0.010 0.000 0.958 1030 E HN 0.342 nan 8.360 nan 0.000 0.447 1031 V N -0.572 119.392 119.914 0.084 0.000 2.997 1031 V HA 0.298 4.417 4.120 -0.001 0.000 0.311 1031 V C 0.191 176.288 176.094 0.005 0.000 1.066 1031 V CA -1.059 61.280 62.300 0.065 0.000 1.039 1031 V CB 1.241 33.108 31.823 0.074 0.000 1.081 1031 V HN 0.720 nan 8.190 nan 0.000 0.467 1032 c N 2.738 121.335 118.600 -0.004 0.000 2.500 1032 c HA 0.470 5.039 4.570 -0.001 0.000 0.367 1032 c C -2.104 171.934 174.090 -0.088 0.000 1.283 1032 c CA -0.448 55.861 56.329 -0.033 0.000 2.456 1032 c CB 0.135 42.643 42.510 -0.004 0.000 2.457 1032 c HN 0.830 nan 8.230 nan 0.000 0.632 1033 P HA 0.040 nan 4.420 nan 0.000 0.262 1033 P C 0.292 177.443 177.300 -0.247 0.000 1.182 1033 P CA 0.955 63.923 63.100 -0.219 0.000 0.761 1033 P CB 0.171 31.723 31.700 -0.248 0.000 0.795 1034 M N -1.519 117.881 119.600 -0.332 0.000 2.931 1034 M HA -0.210 4.269 4.480 -0.001 0.000 0.190 1034 M C 0.271 176.574 176.300 0.005 0.000 0.626 1034 M CA 1.211 56.304 55.300 -0.345 0.000 0.722 1034 M CB -2.389 29.690 32.600 -0.868 0.000 2.597 1034 M HN 0.488 nan 8.290 nan 0.000 0.299 1035 E N 0.694 120.887 120.200 -0.012 0.000 2.250 1035 E HA 0.547 4.896 4.350 -0.001 0.000 0.269 1035 E C -0.615 176.050 176.600 0.108 0.000 1.018 1035 E CA -0.106 56.359 56.400 0.110 0.000 0.873 1035 E CB 1.402 31.132 29.700 0.050 0.000 1.134 1035 E HN 0.200 nan 8.360 nan 0.000 0.403 1036 T N 1.542 116.180 114.554 0.139 0.000 2.881 1036 T HA 0.686 5.035 4.350 -0.001 0.000 0.290 1036 T C -1.245 173.465 174.700 0.017 0.000 1.000 1036 T CA -0.584 61.604 62.100 0.147 0.000 0.978 1036 T CB 1.514 70.484 68.868 0.170 0.000 0.997 1036 T HN 0.588 nan 8.240 nan 0.000 0.443 1037 A N 1.903 124.734 122.820 0.018 0.000 2.498 1037 A HA 0.988 5.308 4.320 -0.001 0.000 0.298 1037 A C -0.984 176.487 177.584 -0.189 0.000 1.075 1037 A CA -0.935 51.013 52.037 -0.148 0.000 0.714 1037 A CB 1.528 20.395 19.000 -0.222 0.000 1.299 1037 A HN 1.108 nan 8.150 nan 0.000 0.407 1038 A N 0.393 123.016 122.820 -0.328 0.000 2.365 1038 A HA 0.828 5.147 4.320 -0.001 0.000 0.318 1038 A C -1.467 175.926 177.584 -0.318 0.000 1.091 1038 A CA -0.366 51.593 52.037 -0.129 0.000 0.763 1038 A CB 0.722 19.694 19.000 -0.048 0.000 1.248 1038 A HN 0.843 nan 8.150 nan 0.000 0.442 1039 Y N 0.202 120.709 120.300 0.345 0.000 2.512 1039 Y HA 0.560 5.110 4.550 -0.001 0.000 0.348 1039 Y C -0.265 175.794 175.900 0.265 0.000 0.990 1039 Y CA -0.926 57.327 58.100 0.254 0.000 1.033 1039 Y CB 2.588 41.155 38.460 0.178 0.000 1.259 1039 Y HN 0.406 nan 8.280 nan 0.000 0.461 1040 V N 2.493 122.592 119.914 0.307 0.000 2.444 1040 V HA 0.424 4.543 4.120 -0.001 0.000 0.294 1040 V C -0.583 175.580 176.094 0.115 0.000 1.022 1040 V CA -0.910 61.468 62.300 0.130 0.000 0.850 1040 V CB 1.655 33.495 31.823 0.029 0.000 0.992 1040 V HN 0.832 nan 8.190 nan 0.000 0.426 1041 S N 3.532 119.305 115.700 0.121 0.000 2.508 1041 S HA 0.703 5.173 4.470 -0.001 0.000 0.284 1041 S C -0.171 174.341 174.600 -0.146 0.000 1.192 1041 S CA -0.582 57.605 58.200 -0.020 0.000 1.070 1041 S CB 1.543 64.799 63.200 0.092 0.000 1.004 1041 S HN 0.562 nan 8.310 nan 0.000 0.493 1042 S N 2.290 117.791 115.700 -0.333 0.000 2.501 1042 S HA 0.523 4.993 4.470 -0.001 0.000 0.301 1042 S C -0.901 173.381 174.600 -0.529 0.000 1.096 1042 S CA -0.771 57.273 58.200 -0.260 0.000 1.063 1042 S CB 0.536 63.668 63.200 -0.114 0.000 1.042 1042 S HN 0.784 nan 8.310 nan 0.000 0.494 1043 H N 0.966 120.025 119.070 -0.018 0.000 2.667 1043 H HA 0.424 4.979 4.556 -0.001 0.000 0.353 1043 H C -0.112 175.213 175.328 -0.006 0.000 1.072 1043 H CA -0.577 55.463 56.048 -0.014 0.000 1.214 1043 H CB 1.818 31.574 29.762 -0.011 0.000 1.600 1043 H HN 0.687 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.753 115.700 0.088 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.232 58.200 0.054 0.000 1.107 1044 S CB 0.000 63.218 63.200 0.031 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517