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 3czs_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 0.000 174.101 174.090 0.018 0.000 1.270 31 c CA 0.000 56.334 56.329 0.009 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.012 0.000 2.134 32 Q N 1.397 121.223 119.800 0.043 0.000 2.361 32 Q HA 0.103 4.443 4.340 -0.001 0.000 0.276 32 Q C -0.235 175.795 176.000 0.050 0.000 1.022 32 Q CA 0.535 56.380 55.803 0.069 0.000 0.898 32 Q CB 0.722 29.537 28.738 0.129 0.000 1.246 32 Q HN 0.641 nan 8.270 nan 0.000 0.410 33 D N 2.018 122.449 120.400 0.052 0.000 2.336 33 D HA 0.049 4.689 4.640 -0.001 0.000 0.249 33 D C 0.550 176.899 176.300 0.081 0.000 1.213 33 D CA -0.169 53.846 54.000 0.025 0.000 0.870 33 D CB 1.172 41.986 40.800 0.024 0.000 1.076 33 D HN 0.387 nan 8.370 nan 0.000 0.483 34 V N 2.241 122.160 119.914 0.009 0.000 3.649 34 V HA 0.069 4.188 4.120 -0.001 0.000 0.275 34 V C 1.137 177.288 176.094 0.095 0.000 1.281 34 V CA 0.164 62.529 62.300 0.107 0.000 1.143 34 V CB 0.190 31.915 31.823 -0.163 0.000 0.892 34 V HN 0.381 nan 8.190 nan 0.000 0.441 35 V N -0.075 119.811 119.914 -0.047 0.000 3.013 35 V HA 0.112 4.231 4.120 -0.001 0.000 0.238 35 V C 2.266 178.345 176.094 -0.024 0.000 1.161 35 V CA 1.214 63.439 62.300 -0.126 0.000 1.170 35 V CB 0.047 31.745 31.823 -0.208 0.000 0.917 35 V HN 0.482 nan 8.190 nan 0.000 0.478 36 Q N -0.478 119.356 119.800 0.056 0.000 2.319 36 Q HA 0.145 4.484 4.340 -0.001 0.000 0.209 36 Q C -0.460 175.623 176.000 0.139 0.000 0.884 36 Q CA 0.201 56.052 55.803 0.080 0.000 0.938 36 Q CB 0.747 29.504 28.738 0.032 0.000 1.098 36 Q HN 0.480 nan 8.270 nan 0.000 0.517 37 D N 1.270 121.784 120.400 0.191 0.000 2.441 37 D HA 0.171 4.811 4.640 -0.001 0.000 0.231 37 D C -0.726 175.691 176.300 0.194 0.000 1.073 37 D CA -0.221 53.877 54.000 0.163 0.000 0.850 37 D CB 2.101 42.975 40.800 0.123 0.000 1.062 37 D HN -0.160 nan 8.370 nan 0.000 0.524 38 V N 4.668 124.662 119.914 0.134 0.000 2.439 38 V HA 0.130 4.249 4.120 -0.001 0.000 0.271 38 V C -1.873 174.202 176.094 -0.030 0.000 1.040 38 V CA -1.187 61.114 62.300 0.002 0.000 1.002 38 V CB 0.394 32.223 31.823 0.011 0.000 1.000 38 V HN 0.300 nan 8.190 nan 0.000 0.477 39 P HA 0.068 nan 4.420 nan 0.000 0.266 39 P C -0.404 176.870 177.300 -0.044 0.000 1.195 39 P CA -0.095 62.977 63.100 -0.047 0.000 0.768 39 P CB 0.337 31.992 31.700 -0.075 0.000 0.838 40 N N 2.894 121.583 118.700 -0.019 0.000 2.462 40 N HA 0.317 5.056 4.740 -0.001 0.000 0.242 40 N C -1.039 174.463 175.510 -0.013 0.000 1.010 40 N CA -0.445 52.596 53.050 -0.015 0.000 0.939 40 N CB 0.066 38.552 38.487 -0.001 0.000 1.127 40 N HN 0.115 nan 8.380 nan 0.000 0.509 41 V N 0.464 120.363 119.914 -0.025 0.000 2.960 41 V HA 0.539 4.658 4.120 -0.001 0.000 0.315 41 V C 0.599 176.678 176.094 -0.024 0.000 1.087 41 V CA -0.733 61.555 62.300 -0.021 0.000 0.982 41 V CB 2.048 33.847 31.823 -0.039 0.000 1.039 41 V HN 0.392 nan 8.190 nan 0.000 0.437 42 D N 0.992 121.384 120.400 -0.013 0.000 2.149 42 D HA 0.028 4.667 4.640 -0.001 0.000 0.201 42 D C 0.469 176.739 176.300 -0.050 0.000 0.972 42 D CA 1.569 55.559 54.000 -0.017 0.000 0.835 42 D CB 0.519 41.326 40.800 0.011 0.000 0.966 42 D HN 0.430 nan 8.370 nan 0.000 0.476 43 V N 1.564 121.427 119.914 -0.086 0.000 2.482 43 V HA 0.207 4.326 4.120 -0.001 0.000 0.295 43 V C -0.360 175.637 176.094 -0.162 0.000 1.026 43 V CA -0.762 61.456 62.300 -0.137 0.000 0.856 43 V CB 2.385 34.082 31.823 -0.210 0.000 1.001 43 V HN -0.092 nan 8.190 nan 0.000 0.424 44 Q N 4.518 124.236 119.800 -0.138 0.000 2.341 44 Q HA 0.448 4.788 4.340 -0.001 0.000 0.268 44 Q C 0.408 176.310 176.000 -0.163 0.000 1.013 44 Q CA -0.693 55.021 55.803 -0.149 0.000 0.798 44 Q CB 1.904 30.576 28.738 -0.110 0.000 1.253 44 Q HN 0.668 nan 8.270 nan 0.000 0.457 45 M N 3.066 122.522 119.600 -0.240 0.000 2.213 45 M HA -0.149 4.331 4.480 -0.001 0.000 0.263 45 M C 1.601 177.797 176.300 -0.174 0.000 1.062 45 M CA 0.921 56.063 55.300 -0.263 0.000 1.105 45 M CB -0.764 31.544 32.600 -0.487 0.000 1.385 45 M HN 0.571 nan 8.290 nan 0.000 0.417 46 L N 0.664 121.780 121.223 -0.179 0.000 2.056 46 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 46 L C 2.481 179.344 176.870 -0.012 0.000 1.078 46 L CA 1.810 56.578 54.840 -0.119 0.000 0.749 46 L CB -0.641 41.324 42.059 -0.157 0.000 0.901 46 L HN 0.263 nan 8.230 nan 0.000 0.433 47 E N -0.397 119.783 120.200 -0.035 0.000 2.072 47 E HA -0.234 4.115 4.350 -0.001 0.000 0.191 47 E C 2.214 178.826 176.600 0.020 0.000 0.985 47 E CA 1.454 57.847 56.400 -0.011 0.000 0.801 47 E CB -0.297 29.382 29.700 -0.035 0.000 0.750 47 E HN 0.439 nan 8.360 nan 0.000 0.452 48 L N 0.470 121.704 121.223 0.017 0.000 2.012 48 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 48 L C 2.317 179.254 176.870 0.113 0.000 1.073 48 L CA 1.689 56.547 54.840 0.030 0.000 0.748 48 L CB -0.939 41.124 42.059 0.007 0.000 0.891 48 L HN 0.134 nan 8.230 nan 0.000 0.431 49 Y N -0.078 120.223 120.300 0.002 0.000 2.207 49 Y HA -0.275 4.274 4.550 -0.001 0.000 0.287 49 Y C 2.572 178.564 175.900 0.154 0.000 1.156 49 Y CA 1.800 59.989 58.100 0.149 0.000 1.182 49 Y CB -0.644 37.904 38.460 0.148 0.000 0.979 49 Y HN 0.356 nan 8.280 nan 0.000 0.521 50 D N -0.569 119.944 120.400 0.188 0.000 2.144 50 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 50 D C 2.148 178.488 176.300 0.067 0.000 0.984 50 D CA 1.189 55.252 54.000 0.105 0.000 0.834 50 D CB 0.017 40.852 40.800 0.059 0.000 0.955 50 D HN 0.225 nan 8.370 nan 0.000 0.465 51 R N -1.034 119.487 120.500 0.036 0.000 2.140 51 R HA 0.165 4.504 4.340 -0.001 0.000 0.213 51 R C 0.778 177.054 176.300 -0.039 0.000 1.059 51 R CA 0.046 56.142 56.100 -0.006 0.000 1.000 51 R CB 0.096 30.379 30.300 -0.028 0.000 0.910 51 R HN 0.219 nan 8.270 nan 0.000 0.455 52 M N 0.421 119.964 119.600 -0.094 0.000 2.248 52 M HA -0.053 4.427 4.480 -0.001 0.000 0.337 52 M C 1.391 177.637 176.300 -0.089 0.000 1.121 52 M CA 0.310 55.457 55.300 -0.256 0.000 1.155 52 M CB 1.325 33.480 32.600 -0.741 0.000 1.514 52 M HN 0.029 nan 8.290 nan 0.000 0.452 53 S N 1.181 116.820 115.700 -0.101 0.000 2.503 53 S HA 0.126 4.596 4.470 -0.001 0.000 0.215 53 S C 0.589 175.309 174.600 0.199 0.000 1.003 53 S CA -0.299 57.939 58.200 0.064 0.000 0.910 53 S CB -0.155 63.056 63.200 0.018 0.000 0.790 53 S HN 0.767 nan 8.310 nan 0.000 0.514 54 F N 0.838 120.720 119.950 -0.112 0.000 3.074 54 F HA -0.140 4.387 4.527 -0.001 0.000 0.289 54 F C 0.153 175.969 175.800 0.026 0.000 0.863 54 F CA 0.299 58.240 58.000 -0.098 0.000 1.121 54 F CB -1.899 37.018 39.000 -0.137 0.000 1.169 54 F HN 0.105 nan 8.300 nan 0.000 0.570 55 K N 1.142 121.625 120.400 0.137 0.000 2.368 55 K HA 0.146 4.465 4.320 -0.001 0.000 0.282 55 K C 0.314 177.025 176.600 0.185 0.000 1.035 55 K CA -0.087 56.283 56.287 0.137 0.000 0.973 55 K CB 0.596 33.138 32.500 0.070 0.000 0.957 55 K HN 0.092 nan 8.250 nan 0.000 0.474 56 D N 3.574 124.095 120.400 0.200 0.000 2.638 56 D HA 0.156 4.796 4.640 -0.001 0.000 0.245 56 D C -0.257 176.090 176.300 0.078 0.000 1.176 56 D CA -0.514 53.609 54.000 0.205 0.000 0.996 56 D CB -0.613 40.318 40.800 0.218 0.000 1.012 56 D HN 0.470 nan 8.370 nan 0.000 0.515 57 I N -1.560 119.044 120.570 0.056 0.000 2.488 57 I HA 0.469 4.639 4.170 -0.001 0.000 0.299 57 I C 0.174 176.283 176.117 -0.013 0.000 0.984 57 I CA -0.947 60.363 61.300 0.017 0.000 1.250 57 I CB 1.328 39.338 38.000 0.016 0.000 1.389 57 I HN -0.151 nan 8.210 nan 0.000 0.488 58 D N 4.360 124.751 120.400 -0.016 0.000 2.363 58 D HA 0.137 4.777 4.640 -0.001 0.000 0.263 58 D C 1.039 177.328 176.300 -0.018 0.000 1.258 58 D CA 0.164 54.150 54.000 -0.024 0.000 0.907 58 D CB 1.401 42.194 40.800 -0.012 0.000 1.107 58 D HN 0.837 nan 8.370 nan 0.000 0.495 59 G N 2.469 111.241 108.800 -0.045 0.000 2.985 59 G HA2 0.415 4.374 3.960 -0.001 0.000 0.209 59 G HA3 0.415 4.374 3.960 -0.001 0.000 0.209 59 G C 0.907 175.814 174.900 0.010 0.000 1.165 59 G CA 0.383 45.460 45.100 -0.038 0.000 0.776 59 G HN 0.913 nan 8.290 nan 0.000 0.541 60 G N -0.578 108.232 108.800 0.017 0.000 2.464 60 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 60 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 60 G C 1.221 176.147 174.900 0.044 0.000 1.186 60 G CA 0.759 45.880 45.100 0.036 0.000 1.010 60 G HN 1.106 nan 8.290 nan 0.000 0.585 61 V N -3.505 116.434 119.914 0.041 0.000 2.392 61 V HA 0.072 4.192 4.120 -0.001 0.000 0.249 61 V C 1.484 177.612 176.094 0.057 0.000 1.059 61 V CA 2.442 64.748 62.300 0.011 0.000 1.051 61 V CB -0.595 31.199 31.823 -0.048 0.000 0.658 61 V HN 1.438 nan 8.190 nan 0.000 0.455 62 W N 2.671 123.887 121.300 -0.141 0.000 2.365 62 W HA 0.433 5.092 4.660 -0.001 0.000 0.371 62 W C 1.137 177.628 176.519 -0.046 0.000 1.006 62 W CA -1.775 55.486 57.345 -0.141 0.000 1.528 62 W CB 0.222 29.568 29.460 -0.189 0.000 1.497 62 W HN 0.051 nan 8.180 nan 0.000 0.367 63 K N 2.788 123.288 120.400 0.167 0.000 2.147 63 K HA -0.176 4.143 4.320 -0.001 0.000 0.205 63 K C 0.867 177.397 176.600 -0.117 0.000 1.049 63 K CA 1.475 57.764 56.287 0.003 0.000 0.936 63 K CB 0.116 32.611 32.500 -0.008 0.000 0.722 63 K HN 0.574 nan 8.250 nan 0.000 0.446 64 Q N -0.713 118.978 119.800 -0.181 0.000 2.198 64 Q HA 0.165 4.504 4.340 -0.001 0.000 0.209 64 Q C 0.808 176.462 176.000 -0.576 0.000 0.848 64 Q CA -0.307 55.366 55.803 -0.216 0.000 0.974 64 Q CB 1.309 30.051 28.738 0.007 0.000 1.115 64 Q HN 0.225 nan 8.270 nan 0.000 0.494 65 G N 0.590 108.612 108.800 -1.296 0.000 3.407 65 G HA2 0.522 4.481 3.960 -0.001 0.000 0.187 65 G HA3 0.522 4.481 3.960 -0.001 0.000 0.187 65 G C -1.381 173.205 174.900 -0.524 0.000 1.262 65 G CA -0.339 43.692 45.100 -1.782 0.000 0.808 65 G HN 0.352 nan 8.290 nan 0.000 0.687 66 W N -1.447 119.556 121.300 -0.496 0.000 2.988 66 W HA 0.642 5.301 4.660 -0.001 0.000 0.355 66 W C -1.432 175.174 176.519 0.145 0.000 1.233 66 W CA -1.161 56.128 57.345 -0.094 0.000 1.176 66 W CB 0.693 30.116 29.460 -0.062 0.000 1.477 66 W HN 0.177 nan 8.180 nan 0.000 0.582 67 N N 2.080 120.938 118.700 0.263 0.000 2.402 67 N HA 0.221 4.961 4.740 -0.001 0.000 0.259 67 N C -0.361 175.284 175.510 0.226 0.000 1.167 67 N CA 0.013 53.169 53.050 0.176 0.000 0.949 67 N CB 0.302 38.891 38.487 0.170 0.000 1.212 67 N HN 0.403 nan 8.380 nan 0.000 0.493 68 I N 2.142 122.748 120.570 0.060 0.000 2.556 68 I HA 0.015 4.185 4.170 -0.001 0.000 0.284 68 I C 0.849 177.122 176.117 0.259 0.000 1.114 68 I CA 0.287 61.685 61.300 0.163 0.000 1.418 68 I CB 0.502 38.543 38.000 0.069 0.000 1.394 68 I HN 0.102 nan 8.210 nan 0.000 0.552 69 K N 6.509 127.100 120.400 0.317 0.000 2.259 69 K HA 0.560 4.879 4.320 -0.001 0.000 0.249 69 K C -1.309 175.464 176.600 0.288 0.000 0.942 69 K CA -0.768 55.646 56.287 0.212 0.000 0.816 69 K CB 2.360 34.946 32.500 0.143 0.000 1.155 69 K HN 0.494 nan 8.250 nan 0.000 0.428 70 Y N -1.897 118.491 120.300 0.147 0.000 2.576 70 Y HA 0.404 4.953 4.550 -0.001 0.000 0.346 70 Y C -0.846 175.125 175.900 0.118 0.000 1.018 70 Y CA -1.491 56.697 58.100 0.146 0.000 1.050 70 Y CB 1.163 39.729 38.460 0.176 0.000 1.280 70 Y HN 0.389 nan 8.280 nan 0.000 0.474 71 D N 2.914 123.456 120.400 0.236 0.000 2.316 71 D HA 0.301 4.940 4.640 -0.001 0.000 0.245 71 D C -1.916 174.536 176.300 0.254 0.000 1.171 71 D CA -2.542 51.541 54.000 0.138 0.000 0.856 71 D CB 1.629 42.490 40.800 0.101 0.000 1.090 71 D HN 0.383 nan 8.370 nan 0.000 0.476 72 P HA -0.076 nan 4.420 nan 0.000 0.219 72 P C 1.148 178.587 177.300 0.232 0.000 1.146 72 P CA 0.871 64.141 63.100 0.283 0.000 0.808 72 P CB 0.202 31.996 31.700 0.157 0.000 0.779 73 L N -1.021 120.289 121.223 0.145 0.000 2.599 73 L HA 0.084 4.423 4.340 -0.001 0.000 0.230 73 L C 2.286 179.199 176.870 0.072 0.000 1.141 73 L CA 0.400 55.303 54.840 0.105 0.000 0.877 73 L CB -0.555 41.544 42.059 0.067 0.000 1.009 73 L HN -0.031 nan 8.230 nan 0.000 0.447 74 K N 0.616 121.046 120.400 0.050 0.000 2.097 74 K HA -0.116 4.204 4.320 -0.001 0.000 0.206 74 K C -0.146 176.312 176.600 -0.238 0.000 1.049 74 K CA 1.088 57.290 56.287 -0.141 0.000 0.933 74 K CB 0.136 32.491 32.500 -0.242 0.000 0.717 74 K HN 0.139 nan 8.250 nan 0.000 0.442 75 Y N 0.993 121.414 120.300 0.201 0.000 2.352 75 Y HA 0.226 4.776 4.550 -0.000 0.000 0.339 75 Y C -0.108 175.868 175.900 0.128 0.000 0.992 75 Y CA -1.189 57.019 58.100 0.179 0.000 1.100 75 Y CB 1.424 39.941 38.460 0.095 0.000 1.192 75 Y HN 0.227 nan 8.280 nan 0.000 0.458 76 N N 0.046 118.902 118.700 0.259 0.000 3.157 76 N HA 0.555 5.295 4.740 -0.001 0.000 0.291 76 N C 0.262 175.803 175.510 0.050 0.000 1.515 76 N CA -0.466 52.663 53.050 0.131 0.000 0.807 76 N CB 0.434 38.987 38.487 0.111 0.000 1.672 76 N HN 0.470 nan 8.380 nan 0.000 0.592 77 A N -1.094 121.665 122.820 -0.101 0.000 1.986 77 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 77 A C 1.079 178.523 177.584 -0.233 0.000 1.171 77 A CA 1.466 53.361 52.037 -0.236 0.000 0.640 77 A CB -1.125 17.626 19.000 -0.414 0.000 0.811 77 A HN 0.715 nan 8.150 nan 0.000 0.451 78 H N -2.738 116.391 119.070 0.097 0.000 2.575 78 H HA 0.121 4.677 4.556 -0.001 0.000 0.267 78 H C 0.029 175.466 175.328 0.181 0.000 0.966 78 H CA 0.647 56.758 56.048 0.104 0.000 1.165 78 H CB 0.134 29.945 29.762 0.081 0.000 1.433 78 H HN 0.679 nan 8.280 nan 0.000 0.544 79 H N 0.873 120.034 119.070 0.152 0.000 2.852 79 H HA 0.252 4.808 4.556 -0.000 0.000 0.274 79 H C -0.750 174.735 175.328 0.261 0.000 1.321 79 H CA -0.287 55.866 56.048 0.175 0.000 1.582 79 H CB 0.687 30.536 29.762 0.144 0.000 1.699 79 H HN 0.102 nan 8.280 nan 0.000 0.546 80 K N 2.483 122.860 120.400 -0.039 0.000 2.098 80 K HA 0.232 4.552 4.320 -0.001 0.000 0.258 80 K C -0.425 175.992 176.600 -0.305 0.000 0.973 80 K CA -1.097 55.135 56.287 -0.091 0.000 0.898 80 K CB 2.044 34.479 32.500 -0.108 0.000 1.057 80 K HN 0.166 nan 8.250 nan 0.000 0.447 81 L N 2.440 123.336 121.223 -0.545 0.000 2.281 81 L HA 0.192 4.532 4.340 -0.001 0.000 0.285 81 L C -0.637 175.960 176.870 -0.455 0.000 1.074 81 L CA -0.039 54.371 54.840 -0.717 0.000 0.817 81 L CB 0.339 41.803 42.059 -0.992 0.000 1.168 81 L HN 0.355 nan 8.230 nan 0.000 0.434 82 K N 4.269 124.429 120.400 -0.401 0.000 2.281 82 K HA 0.520 4.840 4.320 -0.001 0.000 0.272 82 K C -1.543 174.707 176.600 -0.583 0.000 1.048 82 K CA -0.376 55.631 56.287 -0.467 0.000 0.898 82 K CB 0.876 33.156 32.500 -0.366 0.000 1.128 82 K HN 0.431 nan 8.250 nan 0.000 0.460 83 V N 6.120 125.581 119.914 -0.755 0.000 2.370 83 V HA 0.458 4.577 4.120 -0.001 0.000 0.283 83 V C -0.742 174.805 176.094 -0.912 0.000 1.023 83 V CA -0.646 61.161 62.300 -0.821 0.000 0.857 83 V CB 0.672 31.833 31.823 -1.103 0.000 0.985 83 V HN 0.587 nan 8.190 nan 0.000 0.443 84 F N 3.673 123.366 119.950 -0.428 0.000 2.361 84 F HA 0.490 5.016 4.527 -0.001 0.000 0.364 84 F C 0.168 175.778 175.800 -0.317 0.000 1.117 84 F CA -0.737 57.066 58.000 -0.328 0.000 1.071 84 F CB 1.726 40.603 39.000 -0.204 0.000 1.188 84 F HN 0.190 nan 8.300 nan 0.000 0.464 85 V N 5.120 124.984 119.914 -0.082 0.000 2.385 85 V HA 0.276 4.395 4.120 -0.001 0.000 0.269 85 V C -0.196 175.993 176.094 0.159 0.000 1.043 85 V CA -0.623 61.695 62.300 0.030 0.000 0.906 85 V CB 1.278 33.189 31.823 0.148 0.000 0.995 85 V HN 0.435 nan 8.190 nan 0.000 0.467 86 V N 8.284 128.242 119.914 0.073 0.000 2.284 86 V HA 0.317 4.436 4.120 -0.001 0.000 0.274 86 V C -2.378 173.749 176.094 0.055 0.000 1.023 86 V CA -1.928 60.381 62.300 0.015 0.000 0.808 86 V CB 1.406 33.142 31.823 -0.144 0.000 1.035 86 V HN 0.720 nan 8.190 nan 0.000 0.445 87 P HA 0.337 nan 4.420 nan 0.000 0.271 87 P C -0.833 176.462 177.300 -0.008 0.000 1.216 87 P CA 0.254 63.333 63.100 -0.035 0.000 0.776 87 P CB 0.367 31.861 31.700 -0.343 0.000 0.881 88 H N -1.216 117.851 119.070 -0.004 0.000 2.990 88 H HA 0.796 5.351 4.556 -0.001 0.000 0.336 88 H C -1.477 173.968 175.328 0.196 0.000 1.306 88 H CA -1.132 54.818 56.048 -0.164 0.000 1.118 88 H CB 0.990 30.597 29.762 -0.260 0.000 1.856 88 H HN 0.204 nan 8.280 nan 0.000 0.538 89 S N 0.621 116.360 115.700 0.066 0.000 2.750 89 S HA 0.203 4.672 4.470 -0.001 0.000 0.276 89 S C -1.849 172.690 174.600 -0.101 0.000 1.165 89 S CA -0.660 57.615 58.200 0.125 0.000 1.047 89 S CB 0.142 63.600 63.200 0.431 0.000 1.056 89 S HN 0.842 nan 8.310 nan 0.000 0.481 90 H N 4.139 123.122 119.070 -0.145 0.000 2.864 90 H HA 0.504 5.059 4.556 -0.001 0.000 0.281 90 H C -0.595 174.349 175.328 -0.641 0.000 1.093 90 H CA 0.196 56.069 56.048 -0.293 0.000 1.453 90 H CB 0.240 29.885 29.762 -0.195 0.000 1.462 90 H HN 0.506 nan 8.280 nan 0.000 0.480 91 N N 4.639 122.703 118.700 -1.060 0.000 2.518 91 N HA 0.127 4.867 4.740 -0.001 0.000 0.254 91 N C -1.367 173.707 175.510 -0.727 0.000 0.979 91 N CA -0.662 51.653 53.050 -1.224 0.000 0.930 91 N CB 0.961 39.011 38.487 -0.727 0.000 1.152 91 N HN 0.566 nan 8.380 nan 0.000 0.505 92 D N 2.371 122.378 120.400 -0.655 0.000 2.343 92 D HA 0.101 4.741 4.640 -0.001 0.000 0.255 92 D C -2.051 174.319 176.300 0.117 0.000 1.187 92 D CA -1.058 52.833 54.000 -0.181 0.000 0.875 92 D CB 1.164 42.105 40.800 0.235 0.000 1.136 92 D HN 0.270 nan 8.370 nan 0.000 0.469 93 P HA 0.198 nan 4.420 nan 0.000 0.226 93 P C 0.008 177.501 177.300 0.322 0.000 1.783 93 P CA -0.073 63.046 63.100 0.031 0.000 0.980 93 P CB 0.170 31.760 31.700 -0.183 0.000 1.967 94 G N 0.382 109.551 108.800 0.615 0.000 3.067 94 G HA2 0.009 3.968 3.960 -0.001 0.000 0.686 94 G HA3 0.009 3.968 3.960 -0.001 0.000 0.686 94 G C -1.058 174.369 174.900 0.880 0.000 1.119 94 G CA -0.612 44.867 45.100 0.632 0.000 0.790 94 G HN 0.363 nan 8.290 nan 0.000 0.605 95 W N 2.162 123.804 121.300 0.569 0.000 4.518 95 W HA 0.227 4.886 4.660 -0.001 0.000 0.160 95 W C 1.737 178.444 176.519 0.313 0.000 3.470 95 W CA 1.282 58.932 57.345 0.507 0.000 1.183 95 W CB -0.844 28.995 29.460 0.633 0.000 2.083 95 W HN 0.944 nan 8.180 nan 0.000 0.403 96 I N 0.734 121.334 120.570 0.049 0.000 3.603 96 I HA 0.273 4.443 4.170 -0.001 0.000 0.297 96 I C 0.434 176.444 176.117 -0.177 0.000 1.269 96 I CA 0.603 61.749 61.300 -0.258 0.000 1.361 96 I CB -0.081 37.634 38.000 -0.475 0.000 1.063 96 I HN -0.144 nan 8.210 nan 0.000 0.448 97 Q N 1.952 121.500 119.800 -0.419 0.000 2.458 97 Q HA 0.384 4.724 4.340 -0.001 0.000 0.282 97 Q C -0.206 175.560 176.000 -0.391 0.000 1.106 97 Q CA -0.350 55.132 55.803 -0.536 0.000 0.814 97 Q CB 2.207 30.310 28.738 -1.057 0.000 1.425 97 Q HN 0.344 nan 8.270 nan 0.000 0.437 98 T N -2.369 112.070 114.554 -0.193 0.000 2.766 98 T HA 0.175 4.525 4.350 -0.001 0.000 0.295 98 T C 1.085 175.881 174.700 0.160 0.000 1.024 98 T CA -0.466 61.599 62.100 -0.058 0.000 1.018 98 T CB 0.273 69.136 68.868 -0.009 0.000 1.002 98 T HN 0.525 nan 8.240 nan 0.000 0.532 99 F N 1.166 121.189 119.950 0.122 0.000 2.063 99 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 99 F C 2.481 178.467 175.800 0.310 0.000 1.109 99 F CA 2.365 60.513 58.000 0.246 0.000 1.212 99 F CB -0.319 38.714 39.000 0.055 0.000 0.973 99 F HN 0.769 nan 8.300 nan 0.000 0.480 100 E N 0.456 120.888 120.200 0.387 0.000 2.106 100 E HA -0.186 4.164 4.350 -0.001 0.000 0.192 100 E C 2.014 178.673 176.600 0.097 0.000 0.984 100 E CA 1.763 58.324 56.400 0.268 0.000 0.806 100 E CB -0.281 29.560 29.700 0.235 0.000 0.750 100 E HN 0.615 nan 8.360 nan 0.000 0.458 101 E N -1.064 119.140 120.200 0.006 0.000 2.051 101 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 101 E C 1.860 178.301 176.600 -0.264 0.000 0.991 101 E CA 1.214 57.479 56.400 -0.225 0.000 0.799 101 E CB -0.254 29.389 29.700 -0.094 0.000 0.748 101 E HN 0.339 nan 8.360 nan 0.000 0.449 102 Y N -0.581 119.697 120.300 -0.036 0.000 2.224 102 Y HA -0.245 4.305 4.550 -0.001 0.000 0.289 102 Y C 2.181 178.021 175.900 -0.100 0.000 1.146 102 Y CA 1.166 59.223 58.100 -0.072 0.000 1.182 102 Y CB -0.719 37.783 38.460 0.070 0.000 0.983 102 Y HN 0.192 nan 8.280 nan 0.000 0.524 103 Y N 0.843 121.152 120.300 0.014 0.000 2.128 103 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 103 Y C 2.279 178.130 175.900 -0.082 0.000 1.154 103 Y CA 1.879 59.936 58.100 -0.071 0.000 1.149 103 Y CB -0.302 38.128 38.460 -0.051 0.000 0.976 103 Y HN 0.053 nan 8.280 nan 0.000 0.505 104 Q N -0.715 118.988 119.800 -0.161 0.000 2.123 104 Q HA -0.152 4.187 4.340 -0.001 0.000 0.199 104 Q C 2.043 177.981 176.000 -0.102 0.000 0.966 104 Q CA 2.107 57.773 55.803 -0.229 0.000 0.845 104 Q CB -0.495 28.127 28.738 -0.194 0.000 0.907 104 Q HN 0.778 nan 8.270 nan 0.000 0.439 105 H N -0.802 118.290 119.070 0.038 0.000 2.497 105 H HA 0.072 4.627 4.556 -0.001 0.000 0.282 105 H C 0.943 176.362 175.328 0.153 0.000 1.003 105 H CA 0.621 56.724 56.048 0.091 0.000 1.307 105 H CB 0.672 30.454 29.762 0.033 0.000 1.437 105 H HN 0.174 nan 8.280 nan 0.000 0.544 106 D N -0.975 119.523 120.400 0.165 0.000 3.165 106 D HA 0.014 4.654 4.640 -0.001 0.000 0.264 106 D C 1.744 178.097 176.300 0.087 0.000 1.363 106 D CA 0.596 54.682 54.000 0.143 0.000 1.166 106 D CB 0.003 40.793 40.800 -0.017 0.000 1.291 106 D HN 0.067 nan 8.370 nan 0.000 0.390 107 T N 2.472 116.993 114.554 -0.055 0.000 2.821 107 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 107 T C 1.933 176.460 174.700 -0.289 0.000 1.046 107 T CA 1.429 63.456 62.100 -0.122 0.000 1.139 107 T CB -0.066 68.561 68.868 -0.401 0.000 0.871 107 T HN 0.241 nan 8.240 nan 0.000 0.454 108 K N 0.813 120.853 120.400 -0.600 0.000 2.147 108 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 108 K C 1.938 178.286 176.600 -0.421 0.000 1.049 108 K CA 1.435 57.341 56.287 -0.635 0.000 0.936 108 K CB -0.372 31.515 32.500 -1.022 0.000 0.722 108 K HN 0.400 nan 8.250 nan 0.000 0.446 109 H N 1.011 120.001 119.070 -0.132 0.000 2.363 109 H HA 0.051 4.607 4.556 -0.001 0.000 0.301 109 H C 2.312 177.637 175.328 -0.005 0.000 1.074 109 H CA 1.427 57.456 56.048 -0.032 0.000 1.354 109 H CB -0.170 29.601 29.762 0.014 0.000 1.397 109 H HN 0.185 nan 8.280 nan 0.000 0.516 110 I N 0.793 121.444 120.570 0.134 0.000 2.163 110 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 110 I C 2.445 178.572 176.117 0.016 0.000 1.085 110 I CA 1.198 62.621 61.300 0.204 0.000 1.347 110 I CB -0.283 37.907 38.000 0.318 0.000 1.044 110 I HN 0.093 nan 8.210 nan 0.000 0.408 111 L N -0.473 120.540 121.223 -0.351 0.000 2.109 111 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 111 L C 2.681 179.187 176.870 -0.607 0.000 1.086 111 L CA 0.970 55.352 54.840 -0.764 0.000 0.760 111 L CB -0.476 40.565 42.059 -1.696 0.000 0.910 111 L HN 0.155 nan 8.230 nan 0.000 0.437 112 S N 0.126 115.599 115.700 -0.378 0.000 2.356 112 S HA -0.146 4.324 4.470 -0.001 0.000 0.223 112 S C 1.719 176.281 174.600 -0.064 0.000 1.032 112 S CA 1.430 59.650 58.200 0.034 0.000 1.005 112 S CB -0.271 63.013 63.200 0.140 0.000 0.867 112 S HN 0.457 nan 8.310 nan 0.000 0.449 113 N N 1.630 120.275 118.700 -0.092 0.000 2.331 113 N HA 0.105 4.845 4.740 -0.001 0.000 0.180 113 N C 1.723 176.839 175.510 -0.657 0.000 1.019 113 N CA 0.985 53.894 53.050 -0.235 0.000 0.881 113 N CB -0.565 37.891 38.487 -0.052 0.000 0.972 113 N HN 0.389 nan 8.380 nan 0.000 0.435 114 A N 1.262 123.775 122.820 -0.512 0.000 1.877 114 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 114 A C 2.199 179.493 177.584 -0.482 0.000 1.186 114 A CA 1.002 52.593 52.037 -0.744 0.000 0.620 114 A CB -0.751 18.092 19.000 -0.261 0.000 0.822 114 A HN 0.227 nan 8.150 nan 0.000 0.443 115 L N 0.133 121.219 121.223 -0.229 0.000 2.012 115 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 115 L C 2.481 179.281 176.870 -0.117 0.000 1.073 115 L CA 2.618 57.405 54.840 -0.088 0.000 0.748 115 L CB -0.701 41.378 42.059 0.033 0.000 0.891 115 L HN 0.506 nan 8.230 nan 0.000 0.431 116 R N -1.724 118.678 120.500 -0.163 0.000 2.073 116 R HA -0.217 4.123 4.340 -0.001 0.000 0.234 116 R C 2.508 178.716 176.300 -0.153 0.000 1.134 116 R CA 1.718 57.745 56.100 -0.123 0.000 0.952 116 R CB -0.650 29.583 30.300 -0.112 0.000 0.850 116 R HN 0.599 nan 8.270 nan 0.000 0.433 117 H N 0.443 119.227 119.070 -0.477 0.000 2.326 117 H HA -0.055 4.501 4.556 -0.001 0.000 0.301 117 H C 2.221 177.345 175.328 -0.338 0.000 1.081 117 H CA 1.832 57.581 56.048 -0.500 0.000 1.334 117 H CB 0.077 29.243 29.762 -0.994 0.000 1.385 117 H HN 0.207 nan 8.280 nan 0.000 0.504 118 L N -0.204 120.852 121.223 -0.278 0.000 2.083 118 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 118 L C 2.812 179.638 176.870 -0.073 0.000 1.083 118 L CA 1.187 55.942 54.840 -0.141 0.000 0.752 118 L CB -0.694 41.305 42.059 -0.100 0.000 0.899 118 L HN 0.423 nan 8.230 nan 0.000 0.433 119 H N 0.445 119.434 119.070 -0.134 0.000 2.319 119 H HA -0.198 4.358 4.556 -0.001 0.000 0.299 119 H C 1.302 176.568 175.328 -0.104 0.000 1.092 119 H CA 2.039 58.033 56.048 -0.090 0.000 1.302 119 H CB 0.263 29.980 29.762 -0.074 0.000 1.373 119 H HN 0.332 nan 8.280 nan 0.000 0.497 120 D N 0.165 120.467 120.400 -0.163 0.000 2.323 120 D HA -0.027 4.613 4.640 -0.001 0.000 0.209 120 D C -0.048 176.116 176.300 -0.226 0.000 0.973 120 D CA 0.562 54.433 54.000 -0.216 0.000 0.874 120 D CB -0.141 40.556 40.800 -0.173 0.000 0.930 120 D HN 0.388 nan 8.370 nan 0.000 0.521 121 N N 0.196 118.762 118.700 -0.222 0.000 2.746 121 N HA 0.186 4.925 4.740 -0.001 0.000 0.250 121 N C -2.212 173.257 175.510 -0.069 0.000 1.146 121 N CA -1.118 51.844 53.050 -0.147 0.000 0.828 121 N CB 2.221 40.597 38.487 -0.185 0.000 1.158 121 N HN -0.198 nan 8.380 nan 0.000 0.519 122 P HA -0.136 nan 4.420 nan 0.000 0.221 122 P C 0.481 177.799 177.300 0.030 0.000 1.145 122 P CA 1.177 64.261 63.100 -0.027 0.000 0.795 122 P CB 0.407 32.088 31.700 -0.032 0.000 0.775 123 E N -2.218 118.028 120.200 0.078 0.000 2.447 123 E HA 0.075 4.425 4.350 -0.001 0.000 0.195 123 E C 0.677 177.413 176.600 0.226 0.000 1.028 123 E CA 0.027 56.523 56.400 0.159 0.000 0.876 123 E CB -0.432 29.392 29.700 0.206 0.000 0.885 123 E HN 0.144 nan 8.360 nan 0.000 0.500 124 M N 1.282 120.949 119.600 0.112 0.000 2.243 124 M HA 0.161 4.640 4.480 -0.001 0.000 0.341 124 M C -0.681 175.609 176.300 -0.017 0.000 1.130 124 M CA 0.112 55.380 55.300 -0.052 0.000 1.162 124 M CB 0.465 33.038 32.600 -0.045 0.000 1.497 124 M HN -0.322 nan 8.290 nan 0.000 0.456 125 K N 3.121 123.476 120.400 -0.075 0.000 2.444 125 K HA 0.651 4.971 4.320 -0.001 0.000 0.252 125 K C -1.730 174.912 176.600 0.070 0.000 0.993 125 K CA -0.512 55.788 56.287 0.021 0.000 0.847 125 K CB 2.262 34.798 32.500 0.060 0.000 1.340 125 K HN 0.662 nan 8.250 nan 0.000 0.446 126 F N 1.481 121.348 119.950 -0.137 0.000 2.654 126 F HA 0.422 4.949 4.527 -0.001 0.000 0.314 126 F C -1.429 174.265 175.800 -0.177 0.000 1.116 126 F CA -1.231 56.673 58.000 -0.159 0.000 1.017 126 F CB 1.011 39.994 39.000 -0.029 0.000 1.285 126 F HN 0.452 nan 8.300 nan 0.000 0.448 127 I N 1.951 122.163 120.570 -0.597 0.000 2.562 127 I HA 0.607 4.776 4.170 -0.001 0.000 0.301 127 I C -1.698 173.983 176.117 -0.727 0.000 1.003 127 I CA -0.595 60.327 61.300 -0.629 0.000 1.127 127 I CB 2.460 40.039 38.000 -0.702 0.000 1.304 127 I HN 0.693 nan 8.210 nan 0.000 0.446 128 W N 4.603 125.501 121.300 -0.671 0.000 2.957 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.336 128 W C -0.709 175.719 176.519 -0.153 0.000 1.087 128 W CA -0.542 56.541 57.345 -0.437 0.000 1.235 128 W CB 2.690 31.942 29.460 -0.347 0.000 1.399 128 W HN 0.792 nan 8.180 nan 0.000 0.480 129 A N 3.423 125.880 122.820 -0.605 0.000 1.984 129 A HA 0.148 4.468 4.320 -0.001 0.000 0.203 129 A C 0.004 177.535 177.584 -0.089 0.000 1.292 129 A CA 0.537 52.448 52.037 -0.210 0.000 0.782 129 A CB -0.030 18.902 19.000 -0.114 0.000 0.924 129 A HN 0.509 nan 8.150 nan 0.000 0.475 130 E N 1.004 121.035 120.200 -0.282 0.000 2.001 130 E HA 0.308 4.658 4.350 -0.001 0.000 0.279 130 E C 0.416 177.175 176.600 0.265 0.000 1.045 130 E CA -0.275 56.129 56.400 0.008 0.000 0.833 130 E CB 0.755 30.449 29.700 -0.010 0.000 1.077 130 E HN 0.279 nan 8.360 nan 0.000 0.397 131 I N 1.506 122.125 120.570 0.082 0.000 2.676 131 I HA -0.192 3.978 4.170 -0.001 0.000 0.259 131 I C 1.975 177.735 176.117 -0.595 0.000 1.194 131 I CA 0.897 62.169 61.300 -0.047 0.000 1.473 131 I CB -1.367 36.659 38.000 0.042 0.000 1.096 131 I HN 0.417 nan 8.210 nan 0.000 0.443 132 S N 0.862 115.908 115.700 -1.091 0.000 2.365 132 S HA -0.269 4.200 4.470 -0.001 0.000 0.225 132 S C 2.202 176.518 174.600 -0.472 0.000 1.039 132 S CA 1.338 58.554 58.200 -1.640 0.000 1.033 132 S CB -1.182 61.120 63.200 -1.497 0.000 0.887 132 S HN 0.474 nan 8.310 nan 0.000 0.447 133 Y N 0.126 120.444 120.300 0.030 0.000 2.200 133 Y HA 0.030 4.580 4.550 -0.001 0.000 0.290 133 Y C 2.308 178.277 175.900 0.114 0.000 1.137 133 Y CA 1.103 59.313 58.100 0.182 0.000 1.163 133 Y CB -0.395 38.269 38.460 0.340 0.000 0.988 133 Y HN 0.306 nan 8.280 nan 0.000 0.518 134 F N 0.177 120.208 119.950 0.135 0.000 2.146 134 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 134 F C 2.327 177.980 175.800 -0.245 0.000 1.096 134 F CA 1.168 59.129 58.000 -0.065 0.000 1.275 134 F CB -0.456 38.495 39.000 -0.082 0.000 1.008 134 F HN -0.020 nan 8.300 nan 0.000 0.480 135 A N 0.289 122.786 122.820 -0.538 0.000 1.902 135 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 135 A C 2.169 179.659 177.584 -0.157 0.000 1.181 135 A CA 1.808 53.351 52.037 -0.824 0.000 0.623 135 A CB -0.796 17.575 19.000 -1.047 0.000 0.818 135 A HN 0.405 nan 8.150 nan 0.000 0.443 136 R N -1.044 119.401 120.500 -0.091 0.000 2.083 136 R HA -0.170 4.170 4.340 -0.001 0.000 0.237 136 R C 1.810 178.090 176.300 -0.032 0.000 1.137 136 R CA 2.172 58.233 56.100 -0.065 0.000 0.951 136 R CB -0.862 29.331 30.300 -0.179 0.000 0.851 136 R HN 0.478 nan 8.270 nan 0.000 0.434 137 F N -0.211 119.679 119.950 -0.099 0.000 2.084 137 F HA -0.158 4.368 4.527 -0.001 0.000 0.296 137 F C 1.995 177.720 175.800 -0.125 0.000 1.111 137 F CA 1.755 59.746 58.000 -0.014 0.000 1.224 137 F CB -0.850 38.072 39.000 -0.131 0.000 0.991 137 F HN 0.139 nan 8.300 nan 0.000 0.471 138 Y N 0.312 120.393 120.300 -0.365 0.000 2.165 138 Y HA -0.278 4.272 4.550 -0.001 0.000 0.286 138 Y C 2.753 178.463 175.900 -0.318 0.000 1.155 138 Y CA 2.321 60.188 58.100 -0.389 0.000 1.164 138 Y CB -0.772 37.581 38.460 -0.178 0.000 0.978 138 Y HN 0.142 nan 8.280 nan 0.000 0.513 139 H N -0.764 118.290 119.070 -0.027 0.000 2.491 139 H HA -0.084 4.471 4.556 -0.001 0.000 0.290 139 H C 1.058 176.283 175.328 -0.173 0.000 1.050 139 H CA 1.478 57.477 56.048 -0.081 0.000 1.309 139 H CB -0.073 29.698 29.762 0.016 0.000 1.392 139 H HN 0.448 nan 8.280 nan 0.000 0.554 140 D N 0.034 120.355 120.400 -0.132 0.000 2.349 140 D HA 0.068 4.708 4.640 -0.001 0.000 0.215 140 D C 0.622 176.749 176.300 -0.289 0.000 1.016 140 D CA 0.064 53.965 54.000 -0.164 0.000 0.870 140 D CB 0.319 41.058 40.800 -0.102 0.000 0.917 140 D HN 0.192 nan 8.370 nan 0.000 0.524 141 L N 0.615 121.565 121.223 -0.454 0.000 2.397 141 L HA 0.312 4.652 4.340 -0.001 0.000 0.271 141 L C 1.382 178.063 176.870 -0.315 0.000 1.148 141 L CA -0.610 53.951 54.840 -0.465 0.000 0.825 141 L CB 0.905 42.595 42.059 -0.614 0.000 1.117 141 L HN -0.027 nan 8.230 nan 0.000 0.456 142 G N 0.861 109.524 108.800 -0.229 0.000 2.594 142 G HA2 0.008 3.967 3.960 -0.001 0.000 0.243 142 G HA3 0.008 3.967 3.960 -0.001 0.000 0.243 142 G C 0.662 175.462 174.900 -0.166 0.000 1.229 142 G CA -0.281 44.724 45.100 -0.159 0.000 0.843 142 G HN 0.809 nan 8.290 nan 0.000 0.578 143 E N 0.281 120.414 120.200 -0.112 0.000 2.118 143 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 143 E C 2.209 178.767 176.600 -0.070 0.000 0.992 143 E CA 1.550 57.899 56.400 -0.086 0.000 0.804 143 E CB -0.133 29.542 29.700 -0.041 0.000 0.741 143 E HN 0.595 nan 8.360 nan 0.000 0.458 144 N N 0.139 118.799 118.700 -0.066 0.000 2.069 144 N HA -0.197 4.543 4.740 -0.001 0.000 0.191 144 N C 1.431 176.900 175.510 -0.070 0.000 1.031 144 N CA 1.366 54.382 53.050 -0.057 0.000 0.852 144 N CB 0.022 38.474 38.487 -0.058 0.000 1.018 144 N HN 0.054 nan 8.380 nan 0.000 0.423 145 K N 1.193 121.533 120.400 -0.101 0.000 2.103 145 K HA -0.021 4.298 4.320 -0.001 0.000 0.204 145 K C 2.038 178.592 176.600 -0.076 0.000 1.052 145 K CA 0.580 56.805 56.287 -0.103 0.000 0.945 145 K CB -0.194 32.224 32.500 -0.137 0.000 0.722 145 K HN 0.303 nan 8.250 nan 0.000 0.443 146 K N 0.886 121.195 120.400 -0.151 0.000 2.044 146 K HA -0.104 4.216 4.320 -0.001 0.000 0.210 146 K C 2.275 178.950 176.600 0.125 0.000 1.049 146 K CA 1.204 57.416 56.287 -0.126 0.000 0.927 146 K CB -0.232 32.089 32.500 -0.298 0.000 0.713 146 K HN 0.045 nan 8.250 nan 0.000 0.443 147 L N 0.999 122.260 121.223 0.064 0.000 2.056 147 L HA -0.221 4.118 4.340 -0.001 0.000 0.207 147 L C 2.596 179.524 176.870 0.097 0.000 1.078 147 L CA 1.281 56.175 54.840 0.091 0.000 0.749 147 L CB -0.397 41.692 42.059 0.050 0.000 0.901 147 L HN 0.259 nan 8.230 nan 0.000 0.433 148 Q N -0.861 118.972 119.800 0.054 0.000 2.084 148 Q HA -0.274 4.065 4.340 -0.001 0.000 0.202 148 Q C 2.219 178.295 176.000 0.126 0.000 0.978 148 Q CA 1.755 57.588 55.803 0.050 0.000 0.844 148 Q CB -0.218 28.473 28.738 -0.078 0.000 0.898 148 Q HN 0.370 nan 8.270 nan 0.000 0.426 149 M N 1.215 120.923 119.600 0.180 0.000 2.086 149 M HA -0.155 4.325 4.480 -0.001 0.000 0.261 149 M C 1.619 178.103 176.300 0.306 0.000 1.067 149 M CA 1.785 57.264 55.300 0.297 0.000 1.116 149 M CB -0.002 32.873 32.600 0.457 0.000 1.348 149 M HN -0.095 nan 8.290 nan 0.000 0.407 150 K N -1.037 119.542 120.400 0.298 0.000 2.152 150 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 150 K C 2.274 178.971 176.600 0.162 0.000 1.048 150 K CA 1.564 57.989 56.287 0.231 0.000 0.933 150 K CB -0.420 32.202 32.500 0.203 0.000 0.721 150 K HN 0.391 nan 8.250 nan 0.000 0.447 151 S N 1.335 117.122 115.700 0.144 0.000 2.368 151 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 151 S C 1.926 176.587 174.600 0.102 0.000 1.029 151 S CA 1.109 59.376 58.200 0.112 0.000 0.988 151 S CB -0.211 63.057 63.200 0.114 0.000 0.838 151 S HN 0.397 nan 8.310 nan 0.000 0.462 152 I N -0.813 119.828 120.570 0.118 0.000 2.676 152 I HA 0.043 4.212 4.170 -0.001 0.000 0.259 152 I C 1.845 178.000 176.117 0.064 0.000 1.194 152 I CA 0.716 62.068 61.300 0.086 0.000 1.473 152 I CB -0.361 37.691 38.000 0.087 0.000 1.096 152 I HN 0.089 nan 8.210 nan 0.000 0.443 153 V N 1.546 121.517 119.914 0.095 0.000 2.346 153 V HA -0.196 3.924 4.120 -0.001 0.000 0.244 153 V C 2.711 178.844 176.094 0.065 0.000 1.037 153 V CA 2.041 64.387 62.300 0.077 0.000 1.029 153 V CB -0.730 31.202 31.823 0.181 0.000 0.663 153 V HN 0.431 nan 8.190 nan 0.000 0.454 154 K N 1.393 121.838 120.400 0.075 0.000 2.097 154 K HA -0.223 4.096 4.320 -0.001 0.000 0.206 154 K C 1.782 178.403 176.600 0.034 0.000 1.049 154 K CA 1.829 58.148 56.287 0.053 0.000 0.933 154 K CB -0.202 32.331 32.500 0.055 0.000 0.717 154 K HN 0.667 nan 8.250 nan 0.000 0.442 155 N N -0.572 118.149 118.700 0.035 0.000 2.461 155 N HA -0.007 4.732 4.740 -0.001 0.000 0.188 155 N C 0.830 176.348 175.510 0.013 0.000 1.134 155 N CA 1.101 54.165 53.050 0.023 0.000 0.878 155 N CB 0.402 38.904 38.487 0.025 0.000 0.972 155 N HN 0.307 nan 8.380 nan 0.000 0.456 156 G N -0.236 108.568 108.800 0.007 0.000 2.141 156 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.242 156 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.242 156 G C 0.742 175.633 174.900 -0.015 0.000 0.982 156 G CA 0.470 45.564 45.100 -0.010 0.000 0.662 156 G HN 0.455 nan 8.290 nan 0.000 0.527 157 Q N -1.353 118.446 119.800 -0.002 0.000 2.062 157 Q HA 0.200 4.539 4.340 -0.001 0.000 0.196 157 Q C 1.227 177.223 176.000 -0.007 0.000 0.967 157 Q CA 1.049 56.856 55.803 0.006 0.000 0.832 157 Q CB 0.174 28.921 28.738 0.016 0.000 0.899 157 Q HN 0.601 nan 8.270 nan 0.000 0.442 158 L N 1.250 122.450 121.223 -0.038 0.000 2.272 158 L HA 0.295 4.635 4.340 -0.001 0.000 0.289 158 L C -0.909 175.791 176.870 -0.283 0.000 1.032 158 L CA -0.021 54.745 54.840 -0.124 0.000 0.810 158 L CB 1.414 43.406 42.059 -0.113 0.000 1.205 158 L HN -0.063 nan 8.230 nan 0.000 0.422 159 E N 4.342 124.335 120.200 -0.345 0.000 2.210 159 E HA 0.363 4.712 4.350 -0.001 0.000 0.266 159 E C -1.463 174.869 176.600 -0.447 0.000 0.883 159 E CA -0.719 55.484 56.400 -0.327 0.000 0.761 159 E CB 1.008 30.593 29.700 -0.192 0.000 1.156 159 E HN 0.547 nan 8.360 nan 0.000 0.412 160 F N 3.249 123.148 119.950 -0.084 0.000 2.427 160 F HA 0.236 4.763 4.527 -0.001 0.000 0.352 160 F C 0.267 176.035 175.800 -0.053 0.000 1.100 160 F CA -0.570 57.393 58.000 -0.063 0.000 1.191 160 F CB 1.244 40.216 39.000 -0.047 0.000 1.128 160 F HN 0.186 nan 8.300 nan 0.000 0.533 161 V N -0.007 119.968 119.914 0.100 0.000 2.495 161 V HA 0.619 4.738 4.120 -0.001 0.000 0.298 161 V C 0.223 176.443 176.094 0.211 0.000 1.031 161 V CA -0.522 61.834 62.300 0.095 0.000 0.871 161 V CB 0.913 32.686 31.823 -0.083 0.000 0.988 161 V HN 0.996 nan 8.190 nan 0.000 0.432 162 T N 3.139 117.891 114.554 0.329 0.000 12.940 162 T HA -0.311 4.038 4.350 -0.001 0.000 0.419 162 T C 1.744 176.671 174.700 0.379 0.000 1.444 162 T CA 2.903 65.244 62.100 0.403 0.000 2.373 162 T CB -1.694 67.313 68.868 0.232 0.000 2.821 162 T HN 2.794 nan 8.240 nan 0.000 0.696 163 G N 1.890 110.851 108.800 0.268 0.000 2.136 163 G HA2 0.117 4.077 3.960 -0.001 0.000 0.242 163 G HA3 0.117 4.077 3.960 -0.001 0.000 0.242 163 G C 0.303 175.343 174.900 0.234 0.000 0.989 163 G CA 0.563 45.798 45.100 0.225 0.000 0.682 163 G HN 1.565 nan 8.290 nan 0.000 0.522 164 G N -1.606 107.330 108.800 0.228 0.000 2.572 164 G HA2 0.360 4.320 3.960 -0.001 0.000 0.261 164 G HA3 0.360 4.320 3.960 -0.001 0.000 0.261 164 G C 0.990 176.064 174.900 0.290 0.000 1.197 164 G CA 0.188 45.435 45.100 0.244 0.000 0.870 164 G HN 0.342 nan 8.290 nan 0.000 0.548 165 W N 0.454 121.800 121.300 0.078 0.000 2.325 165 W HA -0.051 4.608 4.660 -0.001 0.000 0.299 165 W C 0.704 177.256 176.519 0.056 0.000 1.215 165 W CA 1.941 59.319 57.345 0.054 0.000 1.244 165 W CB 0.234 29.711 29.460 0.027 0.000 1.140 165 W HN 0.407 nan 8.180 nan 0.000 0.523 166 V N -2.769 117.264 119.914 0.198 0.000 3.156 166 V HA 0.496 4.615 4.120 -0.001 0.000 0.310 166 V C -0.457 175.721 176.094 0.140 0.000 1.234 166 V CA -1.286 61.077 62.300 0.106 0.000 1.065 166 V CB 1.748 33.655 31.823 0.141 0.000 1.088 166 V HN -0.056 nan 8.190 nan 0.000 0.451 167 M N 3.936 123.642 119.600 0.178 0.000 2.152 167 M HA 0.510 4.989 4.480 -0.001 0.000 0.354 167 M C -2.678 173.772 176.300 0.249 0.000 1.173 167 M CA -1.886 53.535 55.300 0.202 0.000 1.110 167 M CB 1.351 34.090 32.600 0.231 0.000 1.366 167 M HN 0.637 nan 8.290 nan 0.000 0.415 168 P HA 0.133 nan 4.420 nan 0.000 0.277 168 P C -0.982 176.322 177.300 0.006 0.000 1.240 168 P CA -0.202 62.944 63.100 0.077 0.000 0.798 168 P CB 0.563 32.298 31.700 0.060 0.000 0.979 169 D N 0.681 121.046 120.400 -0.059 0.000 2.478 169 D HA -0.078 4.562 4.640 -0.001 0.000 0.234 169 D C 0.696 177.006 176.300 0.017 0.000 1.154 169 D CA 0.685 54.633 54.000 -0.087 0.000 0.874 169 D CB 0.460 41.219 40.800 -0.068 0.000 1.198 169 D HN 0.312 nan 8.370 nan 0.000 0.455 170 E N 1.476 121.732 120.200 0.094 0.000 2.511 170 E HA 0.190 4.539 4.350 -0.001 0.000 0.209 170 E C 0.883 177.666 176.600 0.304 0.000 0.986 170 E CA 0.046 56.570 56.400 0.206 0.000 0.974 170 E CB 0.680 30.516 29.700 0.226 0.000 1.030 170 E HN 0.465 nan 8.360 nan 0.000 0.490 171 A N 1.456 124.410 122.820 0.224 0.000 1.901 171 A HA 0.028 4.348 4.320 -0.001 0.000 0.210 171 A C 1.832 179.318 177.584 -0.163 0.000 1.208 171 A CA 0.578 52.526 52.037 -0.148 0.000 0.644 171 A CB 0.053 18.959 19.000 -0.157 0.000 0.863 171 A HN 0.025 nan 8.150 nan 0.000 0.454 172 N N 0.584 119.278 118.700 -0.010 0.000 2.388 172 N HA 0.012 4.752 4.740 -0.001 0.000 0.176 172 N C 0.456 175.964 175.510 -0.004 0.000 1.062 172 N CA 0.764 53.801 53.050 -0.021 0.000 0.895 172 N CB 0.067 38.586 38.487 0.053 0.000 1.018 172 N HN 0.493 nan 8.380 nan 0.000 0.456 173 S N 0.823 116.531 115.700 0.012 0.000 2.562 173 S HA 0.034 4.503 4.470 -0.001 0.000 0.281 173 S C 0.042 174.663 174.600 0.035 0.000 1.333 173 S CA -0.551 57.666 58.200 0.028 0.000 1.052 173 S CB 1.088 64.306 63.200 0.030 0.000 0.884 173 S HN 0.203 nan 8.310 nan 0.000 0.506 174 H N 3.384 122.436 119.070 -0.030 0.000 2.652 174 H HA 0.040 4.595 4.556 -0.001 0.000 0.349 174 H C 1.246 176.548 175.328 -0.043 0.000 1.099 174 H CA -0.190 55.827 56.048 -0.052 0.000 1.417 174 H CB 0.526 30.210 29.762 -0.131 0.000 1.457 174 H HN 1.027 nan 8.280 nan 0.000 0.568 175 W N 5.667 126.859 121.300 -0.179 0.000 2.350 175 W HA -0.162 4.497 4.660 -0.001 0.000 0.289 175 W C 1.114 177.696 176.519 0.104 0.000 1.215 175 W CA 0.372 57.688 57.345 -0.049 0.000 1.236 175 W CB -0.491 28.873 29.460 -0.159 0.000 1.130 175 W HN 0.531 nan 8.180 nan 0.000 0.541 176 R N 0.784 120.923 120.500 -0.603 0.000 2.096 176 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 176 R C 1.984 178.133 176.300 -0.252 0.000 1.127 176 R CA 1.848 57.508 56.100 -0.733 0.000 0.968 176 R CB -0.382 29.429 30.300 -0.815 0.000 0.861 176 R HN 0.151 nan 8.270 nan 0.000 0.440 177 N N -0.255 118.379 118.700 -0.111 0.000 2.376 177 N HA -0.047 4.693 4.740 -0.001 0.000 0.177 177 N C 1.711 177.228 175.510 0.011 0.000 1.024 177 N CA 0.659 53.682 53.050 -0.045 0.000 0.893 177 N CB 0.050 38.528 38.487 -0.016 0.000 0.980 177 N HN -0.005 nan 8.380 nan 0.000 0.439 178 V N 1.473 121.416 119.914 0.048 0.000 2.343 178 V HA -0.174 3.946 4.120 -0.001 0.000 0.247 178 V C 2.332 178.473 176.094 0.078 0.000 1.051 178 V CA 1.103 63.448 62.300 0.076 0.000 1.036 178 V CB -0.489 31.397 31.823 0.104 0.000 0.654 178 V HN 0.191 nan 8.190 nan 0.000 0.451 179 L N -0.292 120.987 121.223 0.093 0.000 2.056 179 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 179 L C 2.175 179.062 176.870 0.028 0.000 1.078 179 L CA 1.769 56.660 54.840 0.084 0.000 0.749 179 L CB -0.694 41.449 42.059 0.140 0.000 0.901 179 L HN 0.277 nan 8.230 nan 0.000 0.433 180 L N -0.040 121.179 121.223 -0.008 0.000 2.012 180 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 180 L C 2.593 179.459 176.870 -0.007 0.000 1.073 180 L CA 2.378 57.203 54.840 -0.026 0.000 0.748 180 L CB -0.761 41.263 42.059 -0.058 0.000 0.891 180 L HN 0.683 nan 8.230 nan 0.000 0.431 181 Q N -1.040 118.777 119.800 0.029 0.000 2.172 181 Q HA -0.191 4.149 4.340 -0.001 0.000 0.200 181 Q C 2.029 178.116 176.000 0.145 0.000 0.964 181 Q CA 1.996 57.850 55.803 0.086 0.000 0.855 181 Q CB -1.151 27.672 28.738 0.142 0.000 0.918 181 Q HN 0.465 nan 8.270 nan 0.000 0.444 182 L N 0.889 122.183 121.223 0.117 0.000 2.017 182 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 182 L C 1.942 178.896 176.870 0.140 0.000 1.073 182 L CA 2.482 57.404 54.840 0.137 0.000 0.745 182 L CB -1.011 41.106 42.059 0.097 0.000 0.894 182 L HN 0.346 nan 8.230 nan 0.000 0.432 183 T N -1.053 113.552 114.554 0.086 0.000 2.821 183 T HA -0.177 4.172 4.350 -0.001 0.000 0.267 183 T C 1.723 176.480 174.700 0.095 0.000 1.046 183 T CA 1.400 63.545 62.100 0.074 0.000 1.139 183 T CB -0.158 68.725 68.868 0.026 0.000 0.871 183 T HN 0.327 nan 8.240 nan 0.000 0.454 184 E N 1.005 121.236 120.200 0.052 0.000 2.051 184 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 184 E C 2.360 179.090 176.600 0.217 0.000 0.991 184 E CA 1.528 57.916 56.400 -0.020 0.000 0.799 184 E CB -0.866 28.635 29.700 -0.332 0.000 0.748 184 E HN 0.440 nan 8.360 nan 0.000 0.449 185 G N -0.076 108.951 108.800 0.378 0.000 2.402 185 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.216 185 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.216 185 G C 1.498 176.620 174.900 0.370 0.000 1.162 185 G CA 0.704 46.107 45.100 0.505 0.000 0.777 185 G HN 0.262 nan 8.290 nan 0.000 0.539 186 Q N -0.199 119.755 119.800 0.258 0.000 2.172 186 Q HA -0.057 4.283 4.340 -0.001 0.000 0.200 186 Q C 2.813 178.915 176.000 0.169 0.000 0.964 186 Q CA 1.432 57.347 55.803 0.187 0.000 0.855 186 Q CB -0.209 28.622 28.738 0.154 0.000 0.918 186 Q HN 0.415 nan 8.270 nan 0.000 0.444 187 T N 0.196 114.861 114.554 0.186 0.000 2.746 187 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 187 T C 1.095 175.902 174.700 0.179 0.000 1.039 187 T CA 1.070 63.257 62.100 0.145 0.000 1.142 187 T CB -0.373 68.574 68.868 0.132 0.000 0.866 187 T HN 0.466 nan 8.240 nan 0.000 0.444 188 W N 1.584 122.987 121.300 0.171 0.000 2.335 188 W HA -0.054 4.606 4.660 -0.001 0.000 0.311 188 W C 1.813 178.453 176.519 0.202 0.000 1.213 188 W CA 0.955 58.483 57.345 0.304 0.000 1.274 188 W CB -0.440 29.273 29.460 0.420 0.000 1.148 188 W HN 0.142 nan 8.180 nan 0.000 0.498 189 L N 0.565 122.006 121.223 0.364 0.000 2.083 189 L HA -0.240 4.100 4.340 -0.001 0.000 0.209 189 L C 2.612 179.419 176.870 -0.104 0.000 1.083 189 L CA 1.809 56.688 54.840 0.066 0.000 0.752 189 L CB -0.917 41.118 42.059 -0.040 0.000 0.899 189 L HN -0.014 nan 8.230 nan 0.000 0.433 190 K N -0.008 120.351 120.400 -0.069 0.000 2.057 190 K HA -0.259 4.060 4.320 -0.001 0.000 0.207 190 K C 2.191 178.660 176.600 -0.220 0.000 1.049 190 K CA 1.594 57.815 56.287 -0.110 0.000 0.931 190 K CB -0.021 32.440 32.500 -0.064 0.000 0.714 190 K HN 0.262 nan 8.250 nan 0.000 0.440 191 Q N -0.732 118.864 119.800 -0.339 0.000 2.046 191 Q HA -0.143 4.197 4.340 -0.001 0.000 0.200 191 Q C 1.582 177.105 176.000 -0.794 0.000 0.975 191 Q CA 1.789 57.227 55.803 -0.609 0.000 0.836 191 Q CB 0.014 28.249 28.738 -0.839 0.000 0.896 191 Q HN 0.338 nan 8.270 nan 0.000 0.428 192 F N -1.465 118.117 119.950 -0.612 0.000 2.505 192 F HA 0.125 4.652 4.527 -0.001 0.000 0.289 192 F C 1.873 177.375 175.800 -0.496 0.000 1.101 192 F CA 0.139 57.718 58.000 -0.701 0.000 1.446 192 F CB 0.403 38.553 39.000 -1.416 0.000 1.123 192 F HN 0.085 nan 8.300 nan 0.000 0.564 193 M N -0.728 118.717 119.600 -0.258 0.000 2.308 193 M HA 0.184 4.664 4.480 -0.001 0.000 0.269 193 M C 0.247 176.520 176.300 -0.044 0.000 1.040 193 M CA 0.306 55.551 55.300 -0.091 0.000 1.024 193 M CB -0.659 31.912 32.600 -0.049 0.000 1.465 193 M HN 0.107 nan 8.290 nan 0.000 0.517 194 N N 1.839 120.482 118.700 -0.096 0.000 2.740 194 N HA -0.137 4.602 4.740 -0.001 0.000 0.248 194 N C -1.010 174.481 175.510 -0.032 0.000 1.062 194 N CA 0.718 53.728 53.050 -0.066 0.000 0.704 194 N CB -0.997 37.464 38.487 -0.044 0.000 0.968 194 N HN 0.336 nan 8.380 nan 0.000 0.547 195 V N -3.834 116.061 119.914 -0.031 0.000 3.049 195 V HA 0.868 4.987 4.120 -0.001 0.000 0.309 195 V C -0.018 176.062 176.094 -0.024 0.000 1.148 195 V CA -0.473 61.824 62.300 -0.005 0.000 0.990 195 V CB 2.331 34.193 31.823 0.065 0.000 1.039 195 V HN 0.057 nan 8.190 nan 0.000 0.430 196 T N 3.961 118.491 114.554 -0.040 0.000 2.930 196 T HA 0.574 4.923 4.350 -0.001 0.000 0.313 196 T C -2.755 171.863 174.700 -0.136 0.000 1.019 196 T CA -0.791 61.267 62.100 -0.070 0.000 1.004 196 T CB 1.365 70.183 68.868 -0.083 0.000 0.987 196 T HN 0.768 nan 8.240 nan 0.000 0.456 197 P HA 0.157 nan 4.420 nan 0.000 0.266 197 P C 0.839 177.758 177.300 -0.635 0.000 1.195 197 P CA -0.122 62.861 63.100 -0.195 0.000 0.768 197 P CB 0.516 32.215 31.700 -0.002 0.000 0.838 198 T N -1.587 112.649 114.554 -0.530 0.000 3.040 198 T HA 0.544 4.894 4.350 -0.001 0.000 0.266 198 T C 0.332 174.854 174.700 -0.297 0.000 1.005 198 T CA -0.287 61.385 62.100 -0.714 0.000 0.906 198 T CB 0.141 68.795 68.868 -0.357 0.000 1.082 198 T HN 0.411 nan 8.240 nan 0.000 0.531 199 A N 0.850 123.646 122.820 -0.039 0.000 2.355 199 A HA 0.805 5.125 4.320 -0.001 0.000 0.317 199 A C -0.181 177.661 177.584 0.431 0.000 1.094 199 A CA -0.708 51.451 52.037 0.204 0.000 0.764 199 A CB 1.843 20.967 19.000 0.206 0.000 1.230 199 A HN 0.265 nan 8.150 nan 0.000 0.448 200 S N 2.061 118.002 115.700 0.403 0.000 2.549 200 S HA 0.682 5.152 4.470 -0.001 0.000 0.297 200 S C -1.148 173.637 174.600 0.308 0.000 1.115 200 S CA -0.434 57.948 58.200 0.304 0.000 1.059 200 S CB 0.801 64.010 63.200 0.014 0.000 1.046 200 S HN 0.819 nan 8.310 nan 0.000 0.506 201 W N 4.588 125.901 121.300 0.023 0.000 2.463 201 W HA 0.630 5.290 4.660 -0.001 0.000 0.316 201 W C -1.413 175.055 176.519 -0.085 0.000 1.004 201 W CA -0.836 56.476 57.345 -0.054 0.000 1.309 201 W CB 1.132 30.532 29.460 -0.100 0.000 1.288 201 W HN 0.788 nan 8.180 nan 0.000 0.423 202 A N 7.871 130.527 122.820 -0.273 0.000 2.978 202 A HA 0.265 4.584 4.320 -0.001 0.000 0.341 202 A C 0.428 177.760 177.584 -0.420 0.000 1.105 202 A CA -0.471 51.415 52.037 -0.251 0.000 0.819 202 A CB -0.443 18.531 19.000 -0.043 0.000 1.080 202 A HN 0.697 nan 8.150 nan 0.000 0.476 203 I N -2.275 117.853 120.570 -0.737 0.000 3.419 203 I HA 0.284 4.453 4.170 -0.001 0.000 0.286 203 I C 1.329 177.130 176.117 -0.527 0.000 1.268 203 I CA 1.278 62.111 61.300 -0.778 0.000 1.414 203 I CB 0.449 37.715 38.000 -1.224 0.000 1.074 203 I HN 0.342 nan 8.210 nan 0.000 0.457 204 A N 0.537 123.018 122.820 -0.565 0.000 2.138 204 A HA 0.481 4.800 4.320 -0.001 0.000 0.203 204 A C -1.961 175.203 177.584 -0.699 0.000 1.286 204 A CA -0.200 51.475 52.037 -0.604 0.000 0.929 204 A CB -0.807 17.685 19.000 -0.845 0.000 0.975 204 A HN 0.250 nan 8.150 nan 0.000 0.480 205 P HA 0.147 nan 4.420 nan 0.000 0.268 205 P C -0.773 176.091 177.300 -0.727 0.000 1.208 205 P CA 0.239 62.837 63.100 -0.835 0.000 0.777 205 P CB 0.082 31.451 31.700 -0.552 0.000 0.875 206 F N 1.736 121.452 119.950 -0.390 0.000 2.541 206 F HA 0.543 5.070 4.527 -0.001 0.000 0.351 206 F C 1.425 177.169 175.800 -0.092 0.000 1.209 206 F CA -0.627 57.115 58.000 -0.431 0.000 1.277 206 F CB -1.149 37.743 39.000 -0.180 0.000 1.632 206 F HN 0.510 nan 8.300 nan 0.000 0.619 207 G N 1.270 109.821 108.800 -0.415 0.000 2.662 207 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.686 207 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.686 207 G C -1.467 173.066 174.900 -0.612 0.000 1.271 207 G CA -1.163 43.782 45.100 -0.257 0.000 0.816 207 G HN 0.619 nan 8.290 nan 0.000 0.608 208 H N -0.516 118.267 119.070 -0.479 0.000 2.717 208 H HA 0.743 5.298 4.556 -0.001 0.000 0.366 208 H C -0.325 174.904 175.328 -0.166 0.000 1.132 208 H CA 0.030 55.982 56.048 -0.159 0.000 1.180 208 H CB 2.043 31.854 29.762 0.083 0.000 1.678 208 H HN 0.686 nan 8.280 nan 0.000 0.537 209 S N 2.397 118.241 115.700 0.241 0.000 2.501 209 S HA 0.259 4.729 4.470 -0.001 0.000 0.301 209 S C -1.785 172.855 174.600 0.068 0.000 1.096 209 S CA -1.800 56.553 58.200 0.256 0.000 1.063 209 S CB 1.330 64.725 63.200 0.326 0.000 1.042 209 S HN 0.443 nan 8.310 nan 0.000 0.494 210 P HA 0.014 nan 4.420 nan 0.000 0.234 210 P C 1.086 178.146 177.300 -0.401 0.000 1.167 210 P CA 0.743 63.484 63.100 -0.597 0.000 0.763 210 P CB -0.272 31.236 31.700 -0.321 0.000 0.835 211 T N -0.197 114.250 114.554 -0.179 0.000 2.833 211 T HA -0.099 4.250 4.350 -0.001 0.000 0.269 211 T C 1.840 176.495 174.700 -0.076 0.000 1.054 211 T CA 1.202 63.231 62.100 -0.117 0.000 1.135 211 T CB -0.397 68.436 68.868 -0.058 0.000 0.869 211 T HN -0.004 nan 8.240 nan 0.000 0.466 212 M N 0.961 120.479 119.600 -0.137 0.000 2.059 212 M HA -0.011 4.469 4.480 -0.001 0.000 0.259 212 M C -0.618 175.548 176.300 -0.223 0.000 1.072 212 M CA 1.345 56.560 55.300 -0.142 0.000 1.117 212 M CB -2.545 29.994 32.600 -0.100 0.000 1.320 212 M HN 0.129 nan 8.290 nan 0.000 0.408 213 P HA -0.200 nan 4.420 nan 0.000 0.218 213 P C 1.687 178.862 177.300 -0.209 0.000 1.148 213 P CA 1.438 64.342 63.100 -0.327 0.000 0.822 213 P CB -0.458 30.936 31.700 -0.510 0.000 0.784 214 Y N 1.046 121.161 120.300 -0.307 0.000 2.097 214 Y HA -0.217 4.332 4.550 -0.001 0.000 0.282 214 Y C 2.405 178.224 175.900 -0.134 0.000 1.152 214 Y CA 1.754 59.736 58.100 -0.195 0.000 1.136 214 Y CB -0.933 37.429 38.460 -0.163 0.000 0.975 214 Y HN -0.236 nan 8.280 nan 0.000 0.498 215 I N -0.379 120.236 120.570 0.075 0.000 2.252 215 I HA -0.308 3.861 4.170 -0.001 0.000 0.245 215 I C 2.289 178.352 176.117 -0.090 0.000 1.102 215 I CA 1.163 62.475 61.300 0.019 0.000 1.385 215 I CB -0.423 37.637 38.000 0.100 0.000 1.064 215 I HN 0.271 nan 8.210 nan 0.000 0.414 216 L N 0.096 121.210 121.223 -0.181 0.000 2.046 216 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 216 L C 2.703 179.560 176.870 -0.021 0.000 1.077 216 L CA 1.244 55.910 54.840 -0.291 0.000 0.747 216 L CB -0.723 40.976 42.059 -0.599 0.000 0.896 216 L HN 0.352 nan 8.230 nan 0.000 0.432 217 Q N 1.079 120.833 119.800 -0.076 0.000 2.170 217 Q HA -0.201 4.139 4.340 -0.001 0.000 0.203 217 Q C 1.704 177.669 176.000 -0.058 0.000 0.976 217 Q CA 1.514 57.290 55.803 -0.045 0.000 0.858 217 Q CB 0.113 28.790 28.738 -0.102 0.000 0.907 217 Q HN 0.469 nan 8.270 nan 0.000 0.433 218 K N -0.521 119.809 120.400 -0.116 0.000 2.444 218 K HA 0.108 4.428 4.320 -0.001 0.000 0.193 218 K C 0.667 177.240 176.600 -0.045 0.000 1.024 218 K CA 0.131 56.345 56.287 -0.122 0.000 1.077 218 K CB 0.525 32.890 32.500 -0.225 0.000 0.833 218 K HN -0.073 nan 8.250 nan 0.000 0.517 219 S N -0.260 115.466 115.700 0.045 0.000 2.754 219 S HA 0.208 4.678 4.470 -0.001 0.000 0.247 219 S C 0.750 175.453 174.600 0.172 0.000 1.031 219 S CA 0.096 58.367 58.200 0.118 0.000 1.014 219 S CB 1.311 64.624 63.200 0.188 0.000 0.918 219 S HN 0.517 nan 8.310 nan 0.000 0.519 220 G N 1.209 110.064 108.800 0.092 0.000 2.175 220 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.244 220 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.244 220 G C -0.026 174.850 174.900 -0.040 0.000 0.982 220 G CA -0.458 44.638 45.100 -0.007 0.000 0.641 220 G HN 0.436 nan 8.290 nan 0.000 0.527 221 F N 0.496 120.408 119.950 -0.064 0.000 2.450 221 F HA 0.564 5.090 4.527 -0.001 0.000 0.339 221 F C 1.606 177.349 175.800 -0.095 0.000 1.146 221 F CA 0.059 58.016 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 -0.187 nan 8.300 nan 0.000 0.585 222 K N 0.941 121.361 120.400 0.033 0.000 2.435 222 K HA 0.242 4.561 4.320 -0.001 0.000 0.199 222 K C -0.542 176.002 176.600 -0.093 0.000 1.153 222 K CA 0.127 56.376 56.287 -0.064 0.000 0.974 222 K CB 0.200 32.617 32.500 -0.139 0.000 0.997 222 K HN 0.606 nan 8.250 nan 0.000 0.547 223 N N 0.306 118.930 118.700 -0.125 0.000 2.484 223 N HA 0.446 5.186 4.740 -0.001 0.000 0.269 223 N C -1.106 174.246 175.510 -0.264 0.000 1.237 223 N CA -0.644 52.167 53.050 -0.398 0.000 0.838 223 N CB 2.273 39.960 38.487 -1.333 0.000 1.593 223 N HN -0.094 nan 8.380 nan 0.000 0.485 224 M N -0.215 119.241 119.600 -0.240 0.000 2.569 224 M HA 0.629 5.108 4.480 -0.001 0.000 0.279 224 M C -2.054 174.304 176.300 0.098 0.000 1.253 224 M CA -0.954 54.329 55.300 -0.027 0.000 0.867 224 M CB 2.453 35.033 32.600 -0.033 0.000 1.727 224 M HN 0.502 nan 8.290 nan 0.000 0.467 225 L N 3.717 125.018 121.223 0.131 0.000 2.386 225 L HA 0.862 5.202 4.340 -0.001 0.000 0.271 225 L C -1.385 175.365 176.870 -0.199 0.000 0.993 225 L CA -0.739 54.138 54.840 0.062 0.000 0.819 225 L CB 1.911 44.049 42.059 0.132 0.000 1.294 225 L HN 0.939 nan 8.230 nan 0.000 0.414 226 I N 1.021 121.386 120.570 -0.341 0.000 3.002 226 I HA 0.624 4.794 4.170 -0.001 0.000 0.310 226 I C -0.640 175.172 176.117 -0.510 0.000 1.087 226 I CA -0.576 60.335 61.300 -0.649 0.000 1.017 226 I CB 2.234 39.572 38.000 -1.102 0.000 1.226 226 I HN 0.737 nan 8.210 nan 0.000 0.443 227 Q N 1.796 121.349 119.800 -0.412 0.000 2.506 227 Q HA 0.327 4.666 4.340 -0.001 0.000 0.239 227 Q C 0.038 175.941 176.000 -0.161 0.000 0.782 227 Q CA 0.336 55.991 55.803 -0.246 0.000 0.972 227 Q CB 0.593 29.183 28.738 -0.246 0.000 1.304 227 Q HN 0.662 nan 8.270 nan 0.000 0.534 228 R N 2.039 122.486 120.500 -0.089 0.000 2.891 228 R HA 0.342 4.681 4.340 -0.001 0.000 0.248 228 R C -0.723 175.342 176.300 -0.392 0.000 1.439 228 R CA 0.565 56.350 56.100 -0.526 0.000 1.288 228 R CB 0.261 29.892 30.300 -1.116 0.000 1.212 228 R HN 0.386 nan 8.270 nan 0.000 0.605 229 T N -2.593 111.946 114.554 -0.026 0.000 2.924 229 T HA 0.147 4.497 4.350 -0.001 0.000 0.291 229 T C -0.018 174.936 174.700 0.423 0.000 1.045 229 T CA -0.888 61.321 62.100 0.181 0.000 1.015 229 T CB 1.755 70.576 68.868 -0.080 0.000 1.103 229 T HN 0.393 nan 8.240 nan 0.000 0.496 230 H N 1.901 121.182 119.070 0.351 0.000 3.094 230 H HA -0.033 4.523 4.556 -0.001 0.000 0.320 230 H C 1.081 176.464 175.328 0.092 0.000 1.000 230 H CA 0.434 56.591 56.048 0.181 0.000 1.413 230 H CB 0.341 30.235 29.762 0.221 0.000 1.405 230 H HN 0.926 nan 8.280 nan 0.000 0.586 231 Y N 2.427 122.834 120.300 0.179 0.000 2.241 231 Y HA -0.194 4.355 4.550 -0.001 0.000 0.286 231 Y C 2.163 178.230 175.900 0.279 0.000 1.166 231 Y CA 1.050 59.283 58.100 0.222 0.000 1.203 231 Y CB -0.675 37.854 38.460 0.115 0.000 0.977 231 Y HN 0.299 nan 8.280 nan 0.000 0.529 232 S N 0.303 116.025 115.700 0.037 0.000 2.406 232 S HA -0.115 4.354 4.470 -0.001 0.000 0.228 232 S C 2.084 176.595 174.600 -0.149 0.000 1.020 232 S CA 1.147 59.265 58.200 -0.137 0.000 0.965 232 S CB -0.544 62.349 63.200 -0.512 0.000 0.798 232 S HN 0.375 nan 8.310 nan 0.000 0.488 233 V N 1.957 121.846 119.914 -0.041 0.000 2.307 233 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 233 V C 2.246 178.376 176.094 0.060 0.000 1.045 233 V CA 1.592 63.903 62.300 0.019 0.000 1.024 233 V CB -0.514 31.427 31.823 0.197 0.000 0.651 233 V HN 0.403 nan 8.190 nan 0.000 0.449 234 K N 0.128 120.605 120.400 0.128 0.000 2.044 234 K HA -0.265 4.055 4.320 -0.001 0.000 0.210 234 K C 2.280 179.010 176.600 0.217 0.000 1.049 234 K CA 1.938 58.319 56.287 0.156 0.000 0.927 234 K CB -0.260 32.387 32.500 0.246 0.000 0.713 234 K HN 0.346 nan 8.250 nan 0.000 0.443 235 K N 1.121 121.651 120.400 0.216 0.000 2.026 235 K HA -0.242 4.078 4.320 -0.001 0.000 0.208 235 K C 2.159 178.849 176.600 0.150 0.000 1.048 235 K CA 1.812 58.233 56.287 0.224 0.000 0.929 235 K CB 0.017 32.577 32.500 0.100 0.000 0.713 235 K HN -0.010 nan 8.250 nan 0.000 0.439 236 E N 0.850 121.059 120.200 0.015 0.000 2.051 236 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 236 E C 1.943 178.535 176.600 -0.014 0.000 0.991 236 E CA 1.481 57.849 56.400 -0.053 0.000 0.799 236 E CB -0.192 29.428 29.700 -0.132 0.000 0.748 236 E HN 0.352 nan 8.360 nan 0.000 0.449 237 L N -0.214 121.013 121.223 0.008 0.000 2.093 237 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 237 L C 2.524 179.416 176.870 0.036 0.000 1.085 237 L CA 0.911 55.752 54.840 0.001 0.000 0.755 237 L CB -0.597 41.450 42.059 -0.020 0.000 0.904 237 L HN 0.208 nan 8.230 nan 0.000 0.435 238 A N -0.194 122.699 122.820 0.122 0.000 1.902 238 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 238 A C 2.223 179.995 177.584 0.313 0.000 1.181 238 A CA 1.528 53.695 52.037 0.217 0.000 0.623 238 A CB -0.487 18.790 19.000 0.461 0.000 0.818 238 A HN 0.460 nan 8.150 nan 0.000 0.443 239 Q N -0.970 118.966 119.800 0.226 0.000 2.234 239 Q HA -0.156 4.183 4.340 -0.001 0.000 0.206 239 Q C 1.282 177.271 176.000 -0.018 0.000 0.980 239 Q CA 1.283 57.058 55.803 -0.046 0.000 0.869 239 Q CB -0.023 28.549 28.738 -0.276 0.000 0.912 239 Q HN 0.613 nan 8.270 nan 0.000 0.436 240 Q N -0.267 119.537 119.800 0.007 0.000 2.247 240 Q HA 0.147 4.486 4.340 -0.001 0.000 0.204 240 Q C -0.438 175.580 176.000 0.030 0.000 0.872 240 Q CA -0.045 55.759 55.803 0.001 0.000 0.951 240 Q CB 0.695 29.423 28.738 -0.017 0.000 1.099 240 Q HN 0.277 nan 8.270 nan 0.000 0.501 241 R N 0.908 121.432 120.500 0.040 0.000 3.322 241 R HA -0.215 4.124 4.340 -0.001 0.000 0.253 241 R C -0.120 176.215 176.300 0.059 0.000 0.987 241 R CA 0.492 56.607 56.100 0.025 0.000 0.666 241 R CB -1.898 28.442 30.300 0.066 0.000 1.072 241 R HN 0.393 nan 8.270 nan 0.000 0.447 242 Q N 0.035 119.858 119.800 0.040 0.000 2.186 242 Q HA 0.199 4.538 4.340 -0.001 0.000 0.241 242 Q C 1.225 177.309 176.000 0.140 0.000 0.849 242 Q CA -0.236 55.626 55.803 0.098 0.000 1.053 242 Q CB 0.546 29.308 28.738 0.039 0.000 1.146 242 Q HN 0.441 nan 8.270 nan 0.000 0.475 243 L N 0.098 121.337 121.223 0.027 0.000 2.395 243 L HA 0.039 4.378 4.340 -0.001 0.000 0.218 243 L C 0.315 177.167 176.870 -0.031 0.000 1.130 243 L CA 0.954 55.779 54.840 -0.026 0.000 0.826 243 L CB 0.319 42.181 42.059 -0.329 0.000 0.941 243 L HN 0.190 nan 8.230 nan 0.000 0.451 244 E N 0.165 120.391 120.200 0.045 0.000 2.158 244 E HA 0.513 4.863 4.350 -0.001 0.000 0.271 244 E C -1.223 175.289 176.600 -0.147 0.000 0.911 244 E CA -0.532 55.697 56.400 -0.285 0.000 0.767 244 E CB 1.516 31.174 29.700 -0.069 0.000 1.120 244 E HN -0.000 nan 8.360 nan 0.000 0.405 245 F N -0.265 119.431 119.950 -0.422 0.000 2.686 245 F HA 0.471 4.997 4.527 -0.001 0.000 0.311 245 F C -1.538 174.153 175.800 -0.181 0.000 1.128 245 F CA -1.403 56.496 58.000 -0.169 0.000 0.946 245 F CB 0.759 39.692 39.000 -0.112 0.000 1.336 245 F HN 0.155 nan 8.300 nan 0.000 0.457 246 L N 2.660 124.044 121.223 0.269 0.000 2.282 246 L HA 0.176 4.516 4.340 -0.001 0.000 0.287 246 L C -1.076 176.026 176.870 0.386 0.000 1.075 246 L CA -0.214 54.781 54.840 0.259 0.000 0.839 246 L CB 0.471 42.682 42.059 0.253 0.000 1.219 246 L HN 0.585 nan 8.230 nan 0.000 0.434 247 W N 6.807 128.219 121.300 0.187 0.000 2.387 247 W HA 0.339 4.999 4.660 -0.001 0.000 0.310 247 W C 0.236 176.782 176.519 0.045 0.000 1.181 247 W CA -1.285 56.185 57.345 0.209 0.000 1.333 247 W CB 0.470 30.100 29.460 0.283 0.000 1.286 247 W HN 0.516 nan 8.180 nan 0.000 0.455 248 R N 3.738 124.413 120.500 0.291 0.000 2.758 248 R HA 0.542 4.882 4.340 -0.001 0.000 0.265 248 R C -0.109 176.100 176.300 -0.151 0.000 1.016 248 R CA -0.897 55.201 56.100 -0.004 0.000 1.040 248 R CB 1.078 31.359 30.300 -0.032 0.000 1.152 248 R HN 0.237 nan 8.270 nan 0.000 0.503 249 Q N 1.373 120.924 119.800 -0.415 0.000 2.394 249 Q HA 0.067 4.406 4.340 -0.001 0.000 0.248 249 Q C 1.450 177.056 176.000 -0.655 0.000 0.992 249 Q CA 0.073 55.427 55.803 -0.748 0.000 0.888 249 Q CB 0.867 28.692 28.738 -1.521 0.000 1.257 249 Q HN 0.847 nan 8.270 nan 0.000 0.462 250 I N -2.067 118.230 120.570 -0.456 0.000 2.567 250 I HA -0.153 4.017 4.170 -0.001 0.000 0.257 250 I C 1.264 177.342 176.117 -0.064 0.000 1.184 250 I CA 1.260 62.462 61.300 -0.163 0.000 1.451 250 I CB -0.353 37.646 38.000 -0.002 0.000 1.089 250 I HN 0.669 nan 8.210 nan 0.000 0.441 251 W N 1.253 122.620 121.300 0.112 0.000 3.278 251 W HA 0.369 5.028 4.660 -0.001 0.000 0.308 251 W C 0.222 176.824 176.519 0.138 0.000 1.253 251 W CA -0.661 56.811 57.345 0.211 0.000 1.759 251 W CB -0.673 28.998 29.460 0.351 0.000 1.093 251 W HN -0.065 nan 8.180 nan 0.000 0.648 252 D N 1.813 122.010 120.400 -0.339 0.000 2.393 252 D HA -0.016 4.624 4.640 -0.001 0.000 0.232 252 D C 1.025 177.308 176.300 -0.028 0.000 1.192 252 D CA 0.219 54.118 54.000 -0.169 0.000 0.882 252 D CB 0.197 40.788 40.800 -0.348 0.000 1.038 252 D HN 0.029 nan 8.370 nan 0.000 0.499 253 N N 3.503 122.244 118.700 0.069 0.000 2.250 253 N HA -0.107 4.633 4.740 -0.001 0.000 0.181 253 N C 1.305 176.836 175.510 0.035 0.000 1.017 253 N CA 0.592 53.673 53.050 0.051 0.000 0.866 253 N CB 0.261 38.796 38.487 0.081 0.000 0.985 253 N HN 0.407 nan 8.380 nan 0.000 0.429 254 K N -0.396 120.029 120.400 0.042 0.000 2.137 254 K HA -0.010 4.309 4.320 -0.001 0.000 0.202 254 K C 0.737 177.352 176.600 0.023 0.000 1.052 254 K CA 1.106 57.413 56.287 0.035 0.000 0.961 254 K CB 0.112 32.637 32.500 0.041 0.000 0.741 254 K HN 0.241 nan 8.250 nan 0.000 0.452 255 G N 1.002 109.808 108.800 0.010 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 0.122 175.022 174.900 0.001 0.000 0.993 255 G CA 0.335 45.437 45.100 0.004 0.000 0.661 255 G HN 0.352 nan 8.290 nan 0.000 0.518 256 D N 0.669 121.070 120.400 0.002 0.000 2.310 256 D HA -0.035 4.605 4.640 -0.001 0.000 0.212 256 D C 2.578 178.860 176.300 -0.029 0.000 0.965 256 D CA 1.747 55.744 54.000 -0.004 0.000 0.879 256 D CB -0.222 40.582 40.800 0.008 0.000 0.921 256 D HN 0.675 nan 8.370 nan 0.000 0.510 257 T N -1.998 112.526 114.554 -0.049 0.000 3.113 257 T HA 0.283 4.633 4.350 -0.001 0.000 0.256 257 T C 1.001 175.654 174.700 -0.079 0.000 1.131 257 T CA -0.027 62.018 62.100 -0.091 0.000 1.074 257 T CB -0.009 68.778 68.868 -0.136 0.000 0.944 257 T HN 0.067 nan 8.240 nan 0.000 0.516 258 A N 1.429 124.231 122.820 -0.029 0.000 2.540 258 A HA 0.541 4.861 4.320 -0.001 0.000 0.239 258 A C -0.269 177.334 177.584 0.032 0.000 1.061 258 A CA -0.312 51.741 52.037 0.027 0.000 0.758 258 A CB -0.153 18.888 19.000 0.069 0.000 0.991 258 A HN 0.551 nan 8.150 nan 0.000 0.502 259 L N 2.878 124.141 121.223 0.067 0.000 2.409 259 L HA 0.560 4.899 4.340 -0.001 0.000 0.272 259 L C -0.647 176.287 176.870 0.105 0.000 0.980 259 L CA -0.561 54.316 54.840 0.061 0.000 0.826 259 L CB 1.435 43.491 42.059 -0.004 0.000 1.268 259 L HN 0.658 nan 8.230 nan 0.000 0.407 260 F N 3.890 123.808 119.950 -0.055 0.000 2.578 260 F HA 0.383 4.909 4.527 -0.001 0.000 0.381 260 F C 0.026 175.718 175.800 -0.180 0.000 1.069 260 F CA 0.754 58.691 58.000 -0.106 0.000 1.231 260 F CB 0.428 39.386 39.000 -0.070 0.000 1.086 260 F HN 0.558 nan 8.300 nan 0.000 0.564 261 T N 5.440 119.435 114.554 -0.932 0.000 2.848 261 T HA 0.197 4.547 4.350 -0.001 0.000 0.285 261 T C -1.569 172.500 174.700 -1.052 0.000 0.995 261 T CA -0.471 61.151 62.100 -0.797 0.000 0.970 261 T CB 0.864 69.280 68.868 -0.752 0.000 0.976 261 T HN 0.611 nan 8.240 nan 0.000 0.441 262 H N 2.927 121.691 119.070 -0.510 0.000 2.541 262 H HA 0.620 5.175 4.556 -0.001 0.000 0.316 262 H C -0.378 174.760 175.328 -0.317 0.000 1.043 262 H CA -0.751 55.110 56.048 -0.312 0.000 1.232 262 H CB 0.732 30.528 29.762 0.056 0.000 1.406 262 H HN 0.479 nan 8.280 nan 0.000 0.469 263 M N 6.731 125.999 119.600 -0.553 0.000 2.157 263 M HA 0.294 4.774 4.480 -0.001 0.000 0.354 263 M C -0.970 175.084 176.300 -0.411 0.000 1.170 263 M CA -0.629 54.423 55.300 -0.414 0.000 1.060 263 M CB 0.688 33.098 32.600 -0.317 0.000 1.615 263 M HN 0.704 nan 8.290 nan 0.000 0.460 264 M N 7.089 126.546 119.600 -0.239 0.000 2.243 264 M HA 0.198 4.677 4.480 -0.001 0.000 0.341 264 M C -1.584 174.585 176.300 -0.219 0.000 1.130 264 M CA -1.189 54.018 55.300 -0.155 0.000 1.162 264 M CB 0.392 32.920 32.600 -0.121 0.000 1.497 264 M HN 0.465 nan 8.290 nan 0.000 0.456 265 P HA 0.115 nan 4.420 nan 0.000 0.245 265 P C -0.371 176.719 177.300 -0.350 0.000 1.199 265 P CA 0.894 63.683 63.100 -0.518 0.000 0.807 265 P CB 0.303 31.389 31.700 -1.022 0.000 1.002 266 F N -2.290 117.660 119.950 -0.001 0.000 2.535 266 F HA 0.306 4.832 4.527 -0.001 0.000 0.367 266 F C 2.147 178.029 175.800 0.136 0.000 1.096 266 F CA -1.276 56.758 58.000 0.056 0.000 1.088 266 F CB 0.160 39.130 39.000 -0.050 0.000 1.387 266 F HN -0.308 nan 8.300 nan 0.000 0.494 267 Y N 0.395 120.833 120.300 0.230 0.000 2.352 267 Y HA 0.046 4.595 4.550 -0.001 0.000 0.292 267 Y C 0.851 176.669 175.900 -0.137 0.000 1.136 267 Y CA 1.171 59.267 58.100 -0.006 0.000 1.227 267 Y CB 0.034 38.389 38.460 -0.174 0.000 0.991 267 Y HN 0.344 nan 8.280 nan 0.000 0.545 268 S N -1.783 113.765 115.700 -0.253 0.000 2.651 268 S HA 0.255 4.724 4.470 -0.001 0.000 0.279 268 S C -0.391 174.150 174.600 -0.100 0.000 1.148 268 S CA -0.367 57.598 58.200 -0.391 0.000 0.837 268 S CB 0.313 63.233 63.200 -0.467 0.000 1.138 268 S HN 0.291 nan 8.310 nan 0.000 0.478 269 Y N 0.796 121.057 120.300 -0.066 0.000 2.466 269 Y HA 0.327 4.876 4.550 -0.001 0.000 0.272 269 Y C 0.393 176.379 175.900 0.144 0.000 1.169 269 Y CA -0.615 57.480 58.100 -0.009 0.000 1.285 269 Y CB -0.971 37.398 38.460 -0.152 0.000 1.078 269 Y HN 0.539 nan 8.280 nan 0.000 0.523 270 D N 0.597 121.048 120.400 0.085 0.000 2.371 270 D HA -0.002 4.638 4.640 -0.001 0.000 0.242 270 D C 1.209 177.644 176.300 0.224 0.000 1.218 270 D CA -0.450 53.663 54.000 0.189 0.000 0.945 270 D CB 0.865 41.736 40.800 0.118 0.000 1.137 270 D HN 0.246 nan 8.370 nan 0.000 0.464 271 I N -0.200 120.474 120.570 0.173 0.000 2.226 271 I HA -0.150 4.020 4.170 -0.001 0.000 0.245 271 I C -0.752 175.403 176.117 0.063 0.000 1.100 271 I CA 0.835 62.220 61.300 0.142 0.000 1.374 271 I CB -1.195 36.876 38.000 0.118 0.000 1.057 271 I HN 0.346 nan 8.210 nan 0.000 0.413 272 P HA -0.166 nan 4.420 nan 0.000 0.220 272 P C 0.573 177.566 177.300 -0.510 0.000 1.144 272 P CA 1.644 64.566 63.100 -0.297 0.000 0.800 272 P CB -0.123 31.398 31.700 -0.297 0.000 0.772 273 H N -3.128 115.940 119.070 -0.002 0.000 2.486 273 H HA 0.219 4.775 4.556 -0.001 0.000 0.284 273 H C 0.921 176.345 175.328 0.161 0.000 1.103 273 H CA 0.550 56.607 56.048 0.015 0.000 1.089 273 H CB -0.155 29.686 29.762 0.131 0.000 1.603 273 H HN 0.103 nan 8.280 nan 0.000 0.557 274 T N -4.166 110.507 114.554 0.199 0.000 2.986 274 T HA -0.022 4.328 4.350 -0.001 0.000 0.264 274 T C 1.805 176.630 174.700 0.209 0.000 0.964 274 T CA 0.362 62.608 62.100 0.244 0.000 0.895 274 T CB -0.673 68.330 68.868 0.225 0.000 1.163 274 T HN 0.503 nan 8.240 nan 0.000 0.517 275 c N 1.531 120.221 118.600 0.150 0.000 2.533 275 c HA 0.710 5.280 4.570 -0.001 0.000 0.272 275 c C 1.332 175.541 174.090 0.199 0.000 1.371 275 c CA 0.442 56.898 56.329 0.212 0.000 1.758 275 c CB -1.105 41.490 42.510 0.141 0.000 1.972 275 c HN 0.881 nan 8.230 nan 0.000 0.522 276 G N -0.370 108.457 108.800 0.046 0.000 2.315 276 G HA2 0.383 4.342 3.960 -0.001 0.000 0.294 276 G HA3 0.383 4.342 3.960 -0.001 0.000 0.294 276 G C -2.733 171.751 174.900 -0.693 0.000 1.300 276 G CA 0.225 45.280 45.100 -0.075 0.000 0.843 276 G HN -0.107 nan 8.290 nan 0.000 0.527 277 P HA 0.095 nan 4.420 nan 0.000 0.229 277 P C -0.125 176.759 177.300 -0.694 0.000 1.160 277 P CA 1.028 63.434 63.100 -1.158 0.000 0.777 277 P CB 0.375 31.740 31.700 -0.560 0.000 0.814 278 D N 0.815 120.918 120.400 -0.495 0.000 2.454 278 D HA 0.148 4.787 4.640 -0.001 0.000 0.225 278 D C -1.545 174.417 176.300 -0.563 0.000 1.081 278 D CA -2.595 51.159 54.000 -0.410 0.000 0.864 278 D CB 1.371 42.016 40.800 -0.259 0.000 1.040 278 D HN -0.013 nan 8.370 nan 0.000 0.517 279 P HA -0.125 nan 4.420 nan 0.000 0.223 279 P C 1.252 177.758 177.300 -1.323 0.000 1.151 279 P CA 0.620 62.979 63.100 -1.234 0.000 0.787 279 P CB 0.498 31.138 31.700 -1.766 0.000 0.788 280 K N 0.375 120.118 120.400 -1.095 0.000 2.147 280 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 280 K C 1.766 178.188 176.600 -0.297 0.000 1.049 280 K CA 1.215 57.170 56.287 -0.553 0.000 0.936 280 K CB -0.243 32.111 32.500 -0.243 0.000 0.722 280 K HN -0.060 nan 8.250 nan 0.000 0.446 281 V N 0.406 120.151 119.914 -0.282 0.000 2.379 281 V HA -0.236 3.883 4.120 -0.001 0.000 0.243 281 V C 2.442 178.510 176.094 -0.042 0.000 1.035 281 V CA 1.398 63.625 62.300 -0.121 0.000 1.035 281 V CB -0.355 31.413 31.823 -0.093 0.000 0.673 281 V HN 0.472 nan 8.190 nan 0.000 0.457 282 c N -0.676 117.825 118.600 -0.165 0.000 2.413 282 c HA -0.208 4.362 4.570 -0.001 0.000 0.277 282 c C 2.993 177.051 174.090 -0.053 0.000 1.265 282 c CA 0.851 57.139 56.329 -0.069 0.000 1.752 282 c CB -1.480 40.908 42.510 -0.202 0.000 1.998 282 c HN 0.760 nan 8.230 nan 0.000 0.489 283 c N 0.776 119.260 118.600 -0.194 0.000 2.410 283 c HA -0.148 4.422 4.570 -0.001 0.000 0.281 283 c C 2.616 176.602 174.090 -0.174 0.000 1.318 283 c CA 1.233 57.496 56.329 -0.110 0.000 1.776 283 c CB -1.476 41.045 42.510 0.018 0.000 1.942 283 c HN 0.640 nan 8.230 nan 0.000 0.508 284 Q N -1.367 118.279 119.800 -0.257 0.000 2.488 284 Q HA -0.018 4.322 4.340 -0.001 0.000 0.211 284 Q C 0.659 176.022 176.000 -1.061 0.000 0.967 284 Q CA 1.012 56.478 55.803 -0.561 0.000 0.926 284 Q CB -0.016 28.367 28.738 -0.592 0.000 0.992 284 Q HN 0.751 nan 8.270 nan 0.000 0.506 285 F N -0.334 119.324 119.950 -0.486 0.000 2.668 285 F HA 0.171 4.698 4.527 -0.001 0.000 0.301 285 F C 0.190 175.722 175.800 -0.446 0.000 1.106 285 F CA -0.587 57.029 58.000 -0.640 0.000 1.289 285 F CB 0.775 39.641 39.000 -0.223 0.000 1.006 285 F HN -0.151 nan 8.300 nan 0.000 0.535 286 D N 0.083 120.271 120.400 -0.353 0.000 2.467 286 D HA 0.147 4.787 4.640 -0.001 0.000 0.220 286 D C 0.477 176.604 176.300 -0.288 0.000 1.103 286 D CA -0.358 53.542 54.000 -0.167 0.000 0.886 286 D CB 0.118 40.874 40.800 -0.073 0.000 1.025 286 D HN 0.100 nan 8.370 nan 0.000 0.514 287 F N 1.723 121.677 119.950 0.008 0.000 2.802 287 F HA 0.095 4.621 4.527 -0.001 0.000 0.300 287 F C 2.343 178.093 175.800 -0.083 0.000 1.168 287 F CA 0.260 58.241 58.000 -0.032 0.000 1.433 287 F CB 0.116 39.118 39.000 0.005 0.000 1.115 287 F HN 0.258 nan 8.300 nan 0.000 0.582 288 K N 0.765 121.101 120.400 -0.106 0.000 2.486 288 K HA 0.022 4.341 4.320 -0.001 0.000 0.194 288 K C 1.098 177.664 176.600 -0.057 0.000 1.033 288 K CA 0.377 56.462 56.287 -0.335 0.000 1.004 288 K CB 0.109 32.269 32.500 -0.566 0.000 0.798 288 K HN 0.213 nan 8.250 nan 0.000 0.495 289 R N -0.023 120.468 120.500 -0.014 0.000 2.586 289 R HA 0.196 4.536 4.340 -0.001 0.000 0.306 289 R C 1.000 177.328 176.300 0.047 0.000 1.079 289 R CA -0.178 55.935 56.100 0.023 0.000 1.083 289 R CB 0.225 30.515 30.300 -0.016 0.000 1.306 289 R HN 0.178 nan 8.270 nan 0.000 0.567 290 M N -1.146 118.518 119.600 0.107 0.000 2.541 290 M HA 0.150 4.630 4.480 -0.001 0.000 0.252 290 M C 1.219 177.559 176.300 0.068 0.000 1.125 290 M CA 0.977 56.324 55.300 0.079 0.000 1.091 290 M CB 0.828 33.486 32.600 0.098 0.000 1.420 290 M HN 0.503 nan 8.290 nan 0.000 0.486 291 G N -0.347 108.510 108.800 0.096 0.000 3.709 291 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.196 291 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.196 291 G C 0.995 175.904 174.900 0.014 0.000 1.177 291 G CA 0.239 45.367 45.100 0.045 0.000 0.906 291 G HN 0.388 nan 8.290 nan 0.000 0.416 292 S N 0.327 115.996 115.700 -0.051 0.000 2.474 292 S HA 0.176 4.645 4.470 -0.001 0.000 0.235 292 S C 1.763 176.181 174.600 -0.303 0.000 0.997 292 S CA 1.482 59.554 58.200 -0.212 0.000 0.949 292 S CB -0.465 62.529 63.200 -0.345 0.000 0.766 292 S HN 0.354 nan 8.310 nan 0.000 0.517 293 F N 1.902 121.848 119.950 -0.007 0.000 2.765 293 F HA 0.408 4.934 4.527 -0.001 0.000 0.302 293 F C 1.882 177.677 175.800 -0.007 0.000 1.111 293 F CA 0.070 58.064 58.000 -0.009 0.000 1.359 293 F CB -0.170 38.821 39.000 -0.015 0.000 1.097 293 F HN 0.372 nan 8.300 nan 0.000 0.577 294 G N 1.248 110.119 108.800 0.119 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 -0.139 174.810 174.900 0.081 0.000 1.008 294 G CA 0.036 45.181 45.100 0.074 0.000 0.724 294 G HN 0.314 nan 8.290 nan 0.000 0.514 295 L N 0.019 121.304 121.223 0.104 0.000 2.323 295 L HA 0.869 5.208 4.340 -0.001 0.000 0.265 295 L C 0.514 177.416 176.870 0.053 0.000 1.012 295 L CA -0.406 54.477 54.840 0.072 0.000 0.820 295 L CB 2.338 44.438 42.059 0.068 0.000 1.334 295 L HN 0.450 nan 8.230 nan 0.000 0.427 296 S N -0.790 114.928 115.700 0.030 0.000 2.671 296 S HA 0.529 4.999 4.470 -0.001 0.000 0.277 296 S C -1.238 173.373 174.600 0.018 0.000 1.165 296 S CA -0.796 57.414 58.200 0.017 0.000 0.822 296 S CB 1.649 64.849 63.200 -0.000 0.000 1.150 296 S HN 0.526 nan 8.310 nan 0.000 0.479 297 c N 2.656 121.271 118.600 0.026 0.000 2.265 297 c HA 0.525 5.095 4.570 -0.001 0.000 0.332 297 c C -1.226 172.855 174.090 -0.016 0.000 1.248 297 c CA -1.044 55.337 56.329 0.087 0.000 1.727 297 c CB 0.582 43.179 42.510 0.144 0.000 2.348 297 c HN 0.769 nan 8.230 nan 0.000 0.519 298 P HA -0.122 nan 4.420 nan 0.000 0.218 298 P C 1.172 178.161 177.300 -0.518 0.000 1.146 298 P CA 1.464 64.240 63.100 -0.541 0.000 0.813 298 P CB 0.054 31.114 31.700 -1.067 0.000 0.778 299 W N -0.715 120.560 121.300 -0.041 0.000 3.256 299 W HA 0.197 4.856 4.660 -0.001 0.000 0.269 299 W C 0.634 177.125 176.519 -0.047 0.000 1.310 299 W CA 0.194 57.511 57.345 -0.047 0.000 1.673 299 W CB -0.460 28.963 29.460 -0.062 0.000 1.115 299 W HN 0.101 nan 8.180 nan 0.000 0.686 300 K N -1.137 119.320 120.400 0.095 0.000 3.512 300 K HA -0.176 4.144 4.320 -0.001 0.000 0.309 300 K C -0.298 176.324 176.600 0.035 0.000 1.350 300 K CA 0.578 56.886 56.287 0.036 0.000 0.960 300 K CB -1.951 30.557 32.500 0.013 0.000 1.290 300 K HN -0.113 nan 8.250 nan 0.000 0.454 301 V N 2.228 122.175 119.914 0.055 0.000 2.334 301 V HA 0.292 4.412 4.120 -0.001 0.000 0.281 301 V C -1.772 174.306 176.094 -0.026 0.000 1.016 301 V CA -1.543 60.759 62.300 0.003 0.000 0.832 301 V CB 1.136 32.952 31.823 -0.012 0.000 0.999 301 V HN -0.031 nan 8.190 nan 0.000 0.439 302 P HA 0.394 nan 4.420 nan 0.000 0.276 302 P C -2.839 174.374 177.300 -0.146 0.000 1.252 302 P CA -2.111 60.947 63.100 -0.069 0.000 0.802 302 P CB 0.286 31.961 31.700 -0.043 0.000 1.035 303 P HA 0.264 nan 4.420 nan 0.000 0.272 303 P C -0.340 176.863 177.300 -0.161 0.000 1.223 303 P CA 0.111 63.013 63.100 -0.330 0.000 0.784 303 P CB 0.582 32.021 31.700 -0.435 0.000 0.923 304 R N 0.467 120.881 120.500 -0.144 0.000 2.599 304 R HA 0.417 4.757 4.340 -0.001 0.000 0.295 304 R C -0.312 176.045 176.300 0.095 0.000 0.963 304 R CA -0.675 55.409 56.100 -0.026 0.000 0.883 304 R CB 1.232 31.492 30.300 -0.066 0.000 1.171 304 R HN 0.352 nan 8.270 nan 0.000 0.450 305 T N 3.931 118.534 114.554 0.082 0.000 2.905 305 T HA 0.028 4.377 4.350 -0.001 0.000 0.299 305 T C 0.790 175.478 174.700 -0.020 0.000 1.024 305 T CA 0.127 62.247 62.100 0.034 0.000 1.151 305 T CB 0.140 69.009 68.868 0.002 0.000 0.987 305 T HN 0.203 nan 8.240 nan 0.000 0.535 306 I N 4.034 124.545 120.570 -0.099 0.000 2.496 306 I HA 0.223 4.393 4.170 -0.001 0.000 0.285 306 I C 1.018 177.084 176.117 -0.085 0.000 1.080 306 I CA 0.084 61.326 61.300 -0.097 0.000 1.404 306 I CB 0.118 38.022 38.000 -0.159 0.000 1.403 306 I HN 0.767 nan 8.210 nan 0.000 0.539 307 S N 3.748 119.409 115.700 -0.065 0.000 2.667 307 S HA 0.439 4.908 4.470 -0.001 0.000 0.292 307 S C 0.388 174.954 174.600 -0.057 0.000 1.126 307 S CA -0.750 57.419 58.200 -0.051 0.000 0.881 307 S CB 2.150 65.327 63.200 -0.037 0.000 1.132 307 S HN 0.493 nan 8.310 nan 0.000 0.492 308 D N 0.939 121.315 120.400 -0.040 0.000 2.182 308 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 308 D C 1.905 178.177 176.300 -0.046 0.000 0.986 308 D CA 1.857 55.835 54.000 -0.037 0.000 0.847 308 D CB -0.195 40.598 40.800 -0.011 0.000 0.942 308 D HN 0.826 nan 8.370 nan 0.000 0.467 309 Q N 0.399 120.177 119.800 -0.037 0.000 2.424 309 Q HA -0.035 4.304 4.340 -0.001 0.000 0.204 309 Q C 0.858 176.834 176.000 -0.040 0.000 0.933 309 Q CA 0.709 56.493 55.803 -0.032 0.000 0.929 309 Q CB 0.009 28.735 28.738 -0.021 0.000 1.037 309 Q HN 0.196 nan 8.270 nan 0.000 0.511 310 N N -0.467 118.200 118.700 -0.054 0.000 2.181 310 N HA -0.055 4.684 4.740 -0.001 0.000 0.207 310 N C 1.339 176.802 175.510 -0.078 0.000 1.182 310 N CA 0.318 53.337 53.050 -0.052 0.000 0.893 310 N CB 0.020 38.483 38.487 -0.041 0.000 1.032 310 N HN 0.058 nan 8.380 nan 0.000 0.513 311 V N 0.663 120.494 119.914 -0.138 0.000 2.407 311 V HA -0.087 4.032 4.120 -0.001 0.000 0.248 311 V C 2.275 178.179 176.094 -0.317 0.000 1.055 311 V CA 2.080 64.246 62.300 -0.223 0.000 1.049 311 V CB -0.906 30.749 31.823 -0.280 0.000 0.662 311 V HN 0.435 nan 8.190 nan 0.000 0.455 312 A N -0.158 122.459 122.820 -0.339 0.000 1.877 312 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 312 A C 2.430 180.072 177.584 0.096 0.000 1.186 312 A CA 2.267 54.254 52.037 -0.084 0.000 0.620 312 A CB -1.048 17.983 19.000 0.051 0.000 0.822 312 A HN 0.807 nan 8.150 nan 0.000 0.443 313 A N -0.521 122.320 122.820 0.036 0.000 1.873 313 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 313 A C 2.241 179.868 177.584 0.071 0.000 1.186 313 A CA 1.372 53.444 52.037 0.058 0.000 0.616 313 A CB -0.446 18.569 19.000 0.025 0.000 0.823 313 A HN 0.419 nan 8.150 nan 0.000 0.442 314 R N 0.132 120.666 120.500 0.057 0.000 2.073 314 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 314 R C 2.428 178.784 176.300 0.094 0.000 1.134 314 R CA 1.624 57.810 56.100 0.143 0.000 0.952 314 R CB -1.080 29.297 30.300 0.128 0.000 0.850 314 R HN 0.529 nan 8.270 nan 0.000 0.433 315 S N 1.183 116.885 115.700 0.004 0.000 2.368 315 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 315 S C 1.512 176.007 174.600 -0.175 0.000 1.030 315 S CA 1.453 59.558 58.200 -0.159 0.000 0.999 315 S CB -0.304 62.904 63.200 0.015 0.000 0.844 315 S HN 0.297 nan 8.310 nan 0.000 0.459 316 D N 1.358 121.843 120.400 0.142 0.000 2.104 316 D HA -0.078 4.562 4.640 -0.001 0.000 0.194 316 D C 1.836 178.157 176.300 0.034 0.000 0.994 316 D CA 1.017 55.155 54.000 0.230 0.000 0.830 316 D CB -0.273 40.677 40.800 0.250 0.000 0.959 316 D HN 0.258 nan 8.370 nan 0.000 0.452 317 L N -0.352 120.867 121.223 -0.008 0.000 2.046 317 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 317 L C 2.360 179.069 176.870 -0.269 0.000 1.077 317 L CA 0.582 55.392 54.840 -0.050 0.000 0.747 317 L CB -0.296 41.803 42.059 0.066 0.000 0.896 317 L HN 0.188 nan 8.230 nan 0.000 0.432 318 L N -0.992 119.899 121.223 -0.553 0.000 2.044 318 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 318 L C 2.318 178.511 176.870 -1.127 0.000 1.075 318 L CA 1.527 55.702 54.840 -1.108 0.000 0.747 318 L CB -0.319 40.770 42.059 -1.616 0.000 0.903 318 L HN -0.088 nan 8.230 nan 0.000 0.435 319 V N 0.013 119.402 119.914 -0.875 0.000 2.407 319 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 319 V C 2.306 178.254 176.094 -0.244 0.000 1.055 319 V CA 1.916 63.869 62.300 -0.577 0.000 1.049 319 V CB -0.798 30.737 31.823 -0.481 0.000 0.662 319 V HN 0.577 nan 8.190 nan 0.000 0.455 320 D N -0.686 119.627 120.400 -0.146 0.000 2.123 320 D HA -0.212 4.428 4.640 -0.001 0.000 0.196 320 D C 2.249 178.523 176.300 -0.043 0.000 0.992 320 D CA 1.257 55.268 54.000 0.018 0.000 0.833 320 D CB -0.020 40.844 40.800 0.106 0.000 0.954 320 D HN 0.295 nan 8.370 nan 0.000 0.455 321 Q N -0.518 119.191 119.800 -0.151 0.000 2.061 321 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 321 Q C 2.183 178.200 176.000 0.028 0.000 0.984 321 Q CA 1.026 56.762 55.803 -0.111 0.000 0.846 321 Q CB -0.616 27.995 28.738 -0.212 0.000 0.902 321 Q HN 0.559 nan 8.270 nan 0.000 0.421 322 W N 1.409 122.607 121.300 -0.169 0.000 2.358 322 W HA -0.090 4.570 4.660 -0.001 0.000 0.303 322 W C 2.077 178.483 176.519 -0.188 0.000 1.208 322 W CA 0.717 57.963 57.345 -0.166 0.000 1.274 322 W CB -0.635 28.702 29.460 -0.206 0.000 1.138 322 W HN 0.216 nan 8.180 nan 0.000 0.515 323 K N 0.152 120.515 120.400 -0.061 0.000 2.148 323 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 323 K C 1.940 178.363 176.600 -0.295 0.000 1.050 323 K CA 1.115 57.203 56.287 -0.331 0.000 0.942 323 K CB -0.170 31.843 32.500 -0.811 0.000 0.724 323 K HN 0.079 nan 8.250 nan 0.000 0.446 324 K N 1.001 121.316 120.400 -0.141 0.000 2.025 324 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 324 K C 2.100 178.762 176.600 0.104 0.000 1.049 324 K CA 1.179 57.514 56.287 0.078 0.000 0.933 324 K CB -0.013 32.556 32.500 0.116 0.000 0.714 324 K HN 0.003 nan 8.250 nan 0.000 0.438 325 K N 0.803 121.274 120.400 0.118 0.000 2.063 325 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 325 K C 2.032 178.753 176.600 0.202 0.000 1.048 325 K CA 1.364 57.752 56.287 0.169 0.000 0.928 325 K CB -0.114 32.505 32.500 0.199 0.000 0.713 325 K HN 0.152 nan 8.250 nan 0.000 0.442 326 A N 1.159 124.077 122.820 0.164 0.000 2.019 326 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 326 A C 1.692 179.443 177.584 0.279 0.000 1.164 326 A CA 1.305 53.476 52.037 0.223 0.000 0.644 326 A CB -0.313 18.772 19.000 0.141 0.000 0.805 326 A HN 0.309 nan 8.150 nan 0.000 0.449 327 E N 0.011 120.349 120.200 0.229 0.000 2.333 327 E HA -0.098 4.251 4.350 -0.001 0.000 0.198 327 E C 1.561 178.286 176.600 0.207 0.000 1.007 327 E CA 0.665 57.212 56.400 0.244 0.000 0.845 327 E CB -0.229 29.638 29.700 0.279 0.000 0.766 327 E HN 0.722 nan 8.360 nan 0.000 0.507 328 L N -0.665 120.634 121.223 0.128 0.000 2.591 328 L HA 0.056 4.395 4.340 -0.001 0.000 0.228 328 L C 0.233 176.876 176.870 -0.379 0.000 1.133 328 L CA 0.237 55.013 54.840 -0.106 0.000 0.880 328 L CB -0.046 41.825 42.059 -0.312 0.000 1.033 328 L HN -0.000 nan 8.230 nan 0.000 0.450 329 Y N -1.716 118.669 120.300 0.142 0.000 2.633 329 Y HA 0.380 4.929 4.550 -0.001 0.000 0.339 329 Y C 1.095 177.113 175.900 0.196 0.000 1.045 329 Y CA -0.968 57.237 58.100 0.174 0.000 1.098 329 Y CB 1.244 39.816 38.460 0.187 0.000 1.296 329 Y HN -0.294 nan 8.280 nan 0.000 0.494 330 R N -0.568 120.174 120.500 0.404 0.000 2.265 330 R HA 0.092 4.432 4.340 -0.001 0.000 0.194 330 R C 0.324 176.756 176.300 0.221 0.000 0.931 330 R CA 0.732 56.978 56.100 0.244 0.000 1.032 330 R CB 0.337 30.717 30.300 0.133 0.000 0.980 330 R HN 0.750 nan 8.270 nan 0.000 0.497 331 T N -0.836 113.892 114.554 0.291 0.000 2.922 331 T HA 0.103 4.452 4.350 -0.001 0.000 0.281 331 T C 0.633 175.484 174.700 0.252 0.000 1.005 331 T CA -0.939 61.301 62.100 0.234 0.000 0.982 331 T CB 1.254 70.240 68.868 0.197 0.000 1.158 331 T HN 0.078 nan 8.240 nan 0.000 0.566 332 N N 0.128 118.952 118.700 0.206 0.000 2.322 332 N HA 0.128 4.867 4.740 -0.001 0.000 0.216 332 N C -0.681 174.819 175.510 -0.017 0.000 1.144 332 N CA -0.355 52.779 53.050 0.141 0.000 0.830 332 N CB -0.158 38.337 38.487 0.013 0.000 1.034 332 N HN 0.377 nan 8.380 nan 0.000 0.484 333 V N 1.288 121.225 119.914 0.038 0.000 2.409 333 V HA 0.417 4.536 4.120 -0.001 0.000 0.291 333 V C -0.624 175.553 176.094 0.138 0.000 1.020 333 V CA -0.971 61.351 62.300 0.037 0.000 0.848 333 V CB 1.540 33.367 31.823 0.008 0.000 0.990 333 V HN 0.173 nan 8.190 nan 0.000 0.430 334 L N 5.742 126.986 121.223 0.035 0.000 2.341 334 L HA 0.688 5.028 4.340 -0.001 0.000 0.278 334 L C -0.854 175.878 176.870 -0.231 0.000 1.005 334 L CA -0.480 54.296 54.840 -0.107 0.000 0.818 334 L CB 1.673 43.570 42.059 -0.271 0.000 1.259 334 L HN 0.637 nan 8.230 nan 0.000 0.418 335 L N 6.393 127.268 121.223 -0.580 0.000 2.264 335 L HA 0.556 4.895 4.340 -0.001 0.000 0.289 335 L C -1.034 175.545 176.870 -0.485 0.000 1.044 335 L CA 0.139 54.481 54.840 -0.830 0.000 0.807 335 L CB 0.731 41.806 42.059 -1.640 0.000 1.192 335 L HN 0.435 nan 8.230 nan 0.000 0.425 336 I N 7.457 127.821 120.570 -0.342 0.000 2.502 336 I HA 0.342 4.512 4.170 -0.001 0.000 0.276 336 I C -2.282 173.809 176.117 -0.043 0.000 1.057 336 I CA -2.042 59.150 61.300 -0.179 0.000 1.163 336 I CB 1.011 38.875 38.000 -0.228 0.000 1.288 336 I HN 0.424 nan 8.210 nan 0.000 0.479 337 P HA 0.151 nan 4.420 nan 0.000 0.269 337 P C -0.424 177.051 177.300 0.293 0.000 1.209 337 P CA -0.248 62.982 63.100 0.216 0.000 0.776 337 P CB 0.857 32.734 31.700 0.295 0.000 0.876 338 L N 2.915 124.348 121.223 0.350 0.000 2.462 338 L HA 0.750 5.090 4.340 -0.001 0.000 0.255 338 L C -0.101 176.828 176.870 0.097 0.000 1.076 338 L CA 0.379 55.344 54.840 0.209 0.000 0.920 338 L CB 0.433 42.552 42.059 0.100 0.000 1.214 338 L HN 0.618 nan 8.230 nan 0.000 0.472 339 G N 1.510 110.245 108.800 -0.108 0.000 2.430 339 G HA2 0.494 4.453 3.960 -0.001 0.000 0.300 339 G HA3 0.494 4.453 3.960 -0.001 0.000 0.300 339 G C -2.188 172.583 174.900 -0.214 0.000 1.330 339 G CA -0.238 44.550 45.100 -0.521 0.000 0.813 339 G HN 0.360 nan 8.290 nan 0.000 0.487 340 D N -1.780 118.561 120.400 -0.098 0.000 2.879 340 D HA 0.307 4.947 4.640 -0.001 0.000 0.346 340 D C -1.525 174.905 176.300 0.216 0.000 1.390 340 D CA -0.451 53.669 54.000 0.201 0.000 0.838 340 D CB 1.365 42.238 40.800 0.121 0.000 1.416 340 D HN 0.219 nan 8.370 nan 0.000 0.493 341 D N 0.434 121.016 120.400 0.303 0.000 2.417 341 D HA 0.219 4.858 4.640 -0.001 0.000 0.250 341 D C 0.210 176.667 176.300 0.262 0.000 1.166 341 D CA 0.538 54.707 54.000 0.281 0.000 0.881 341 D CB -0.289 40.770 40.800 0.432 0.000 1.164 341 D HN 0.380 nan 8.370 nan 0.000 0.467 342 F N 0.078 120.099 119.950 0.118 0.000 3.079 342 F HA -0.314 4.213 4.527 -0.001 0.000 0.274 342 F C 1.145 176.985 175.800 0.067 0.000 0.940 342 F CA 0.537 58.581 58.000 0.074 0.000 0.932 342 F CB -0.774 38.258 39.000 0.055 0.000 0.891 342 F HN 0.221 nan 8.300 nan 0.000 0.722 343 R N -0.378 120.209 120.500 0.145 0.000 2.580 343 R HA 0.477 4.816 4.340 -0.001 0.000 0.267 343 R C 0.729 177.049 176.300 0.033 0.000 1.125 343 R CA -0.711 55.356 56.100 -0.055 0.000 1.188 343 R CB -0.084 30.064 30.300 -0.255 0.000 1.155 343 R HN 0.233 nan 8.270 nan 0.000 0.586 344 F N -0.772 119.013 119.950 -0.274 0.000 3.071 344 F HA -0.279 4.247 4.527 -0.001 0.000 0.295 344 F C 1.381 177.157 175.800 -0.040 0.000 0.919 344 F CA 1.013 58.671 58.000 -0.571 0.000 1.050 344 F CB -0.934 37.419 39.000 -1.079 0.000 1.040 344 F HN 0.587 nan 8.300 nan 0.000 0.692 345 K N -0.012 120.455 120.400 0.112 0.000 2.168 345 K HA 0.079 4.398 4.320 -0.001 0.000 0.201 345 K C 0.704 177.446 176.600 0.237 0.000 1.049 345 K CA 0.825 57.243 56.287 0.219 0.000 0.974 345 K CB 0.285 32.883 32.500 0.164 0.000 0.792 345 K HN 0.475 nan 8.250 nan 0.000 0.463 346 Q N 0.463 120.382 119.800 0.199 0.000 2.235 346 Q HA 0.198 4.537 4.340 -0.001 0.000 0.256 346 Q C 0.180 176.368 176.000 0.313 0.000 0.951 346 Q CA -0.678 55.259 55.803 0.223 0.000 0.890 346 Q CB 1.607 30.489 28.738 0.242 0.000 1.279 346 Q HN 0.144 nan 8.270 nan 0.000 0.444 347 N N 0.561 119.410 118.700 0.248 0.000 2.104 347 N HA -0.172 4.568 4.740 -0.001 0.000 0.190 347 N C 1.684 177.348 175.510 0.256 0.000 1.024 347 N CA 2.176 55.369 53.050 0.238 0.000 0.853 347 N CB -0.306 38.270 38.487 0.150 0.000 1.008 347 N HN 0.742 nan 8.380 nan 0.000 0.424 348 T N -1.136 113.565 114.554 0.245 0.000 2.833 348 T HA -0.123 4.226 4.350 -0.001 0.000 0.269 348 T C 1.714 176.612 174.700 0.330 0.000 1.054 348 T CA 1.197 63.464 62.100 0.278 0.000 1.135 348 T CB -0.116 68.905 68.868 0.256 0.000 0.869 348 T HN 0.335 nan 8.240 nan 0.000 0.466 349 E N -0.221 120.123 120.200 0.241 0.000 2.072 349 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 349 E C 1.844 178.364 176.600 -0.134 0.000 0.982 349 E CA 0.737 57.053 56.400 -0.140 0.000 0.803 349 E CB -0.253 29.198 29.700 -0.414 0.000 0.755 349 E HN 0.704 nan 8.360 nan 0.000 0.453 350 W N 1.827 123.055 121.300 -0.121 0.000 2.318 350 W HA -0.218 4.442 4.660 -0.001 0.000 0.313 350 W C 2.134 178.529 176.519 -0.207 0.000 1.221 350 W CA 1.382 58.561 57.345 -0.277 0.000 1.266 350 W CB -0.342 28.628 29.460 -0.817 0.000 1.150 350 W HN 0.194 nan 8.180 nan 0.000 0.496 351 D N -0.561 119.950 120.400 0.184 0.000 2.097 351 D HA -0.179 4.460 4.640 -0.001 0.000 0.195 351 D C 2.281 178.678 176.300 0.162 0.000 0.989 351 D CA 1.559 55.705 54.000 0.244 0.000 0.827 351 D CB -1.042 39.896 40.800 0.229 0.000 0.966 351 D HN 0.031 nan 8.370 nan 0.000 0.456 352 V N 0.873 120.866 119.914 0.131 0.000 2.427 352 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 352 V C 2.207 178.336 176.094 0.058 0.000 1.051 352 V CA 1.583 63.939 62.300 0.094 0.000 1.048 352 V CB -0.076 31.850 31.823 0.172 0.000 0.666 352 V HN 0.156 nan 8.190 nan 0.000 0.456 353 Q N -0.322 119.549 119.800 0.119 0.000 2.049 353 Q HA -0.178 4.161 4.340 -0.001 0.000 0.198 353 Q C 2.352 178.551 176.000 0.331 0.000 0.971 353 Q CA 1.845 57.812 55.803 0.273 0.000 0.833 353 Q CB -0.486 28.388 28.738 0.227 0.000 0.896 353 Q HN 0.612 nan 8.270 nan 0.000 0.434 354 R N 0.547 121.213 120.500 0.277 0.000 2.073 354 R HA -0.104 4.235 4.340 -0.001 0.000 0.234 354 R C 2.232 178.703 176.300 0.284 0.000 1.134 354 R CA 1.389 57.703 56.100 0.357 0.000 0.952 354 R CB -0.076 30.441 30.300 0.363 0.000 0.850 354 R HN 0.063 nan 8.270 nan 0.000 0.433 355 V N 1.986 121.988 119.914 0.147 0.000 2.358 355 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 355 V C 2.017 178.053 176.094 -0.096 0.000 1.047 355 V CA 1.835 64.164 62.300 0.049 0.000 1.035 355 V CB -0.613 31.229 31.823 0.032 0.000 0.658 355 V HN 0.436 nan 8.190 nan 0.000 0.452 356 N N -0.680 117.854 118.700 -0.277 0.000 2.142 356 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 356 N C 1.871 177.070 175.510 -0.517 0.000 1.023 356 N CA 1.596 54.275 53.050 -0.618 0.000 0.852 356 N CB -0.297 37.237 38.487 -1.587 0.000 0.998 356 N HN 0.520 nan 8.380 nan 0.000 0.424 357 Y N 1.959 122.068 120.300 -0.318 0.000 2.242 357 Y HA -0.085 4.465 4.550 -0.001 0.000 0.291 357 Y C 2.399 177.776 175.900 -0.872 0.000 1.137 357 Y CA 1.047 58.828 58.100 -0.532 0.000 1.181 357 Y CB -0.113 38.123 38.460 -0.373 0.000 0.989 357 Y HN 0.125 nan 8.280 nan 0.000 0.527 358 E N -0.198 119.858 120.200 -0.241 0.000 2.085 358 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 358 E C 2.229 178.779 176.600 -0.083 0.000 0.994 358 E CA 1.179 57.524 56.400 -0.092 0.000 0.801 358 E CB -0.131 29.638 29.700 0.115 0.000 0.743 358 E HN 0.462 nan 8.360 nan 0.000 0.453 359 R N 0.264 120.694 120.500 -0.117 0.000 2.075 359 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 359 R C 2.483 178.753 176.300 -0.051 0.000 1.126 359 R CA 0.836 56.895 56.100 -0.067 0.000 0.963 359 R CB -0.267 29.973 30.300 -0.100 0.000 0.858 359 R HN 0.161 nan 8.270 nan 0.000 0.435 360 L N -0.344 120.782 121.223 -0.161 0.000 2.017 360 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 360 L C 2.247 179.162 176.870 0.075 0.000 1.073 360 L CA 1.576 56.354 54.840 -0.102 0.000 0.745 360 L CB -0.473 41.441 42.059 -0.240 0.000 0.894 360 L HN 0.165 nan 8.230 nan 0.000 0.432 361 F N -0.138 119.816 119.950 0.008 0.000 2.134 361 F HA -0.245 4.282 4.527 -0.001 0.000 0.299 361 F C 2.732 178.529 175.800 -0.003 0.000 1.097 361 F CA 0.985 58.976 58.000 -0.016 0.000 1.264 361 F CB -0.238 38.715 39.000 -0.078 0.000 1.001 361 F HN 0.170 nan 8.300 nan 0.000 0.479 362 E N 0.007 120.334 120.200 0.212 0.000 2.058 362 E HA -0.314 4.035 4.350 -0.001 0.000 0.194 362 E C 1.983 178.669 176.600 0.143 0.000 0.997 362 E CA 1.636 58.122 56.400 0.144 0.000 0.801 362 E CB -0.187 29.582 29.700 0.115 0.000 0.746 362 E HN 0.455 nan 8.360 nan 0.000 0.450 363 H N 0.217 119.331 119.070 0.074 0.000 2.299 363 H HA -0.058 4.498 4.556 -0.001 0.000 0.302 363 H C 2.078 177.488 175.328 0.135 0.000 1.078 363 H CA 2.170 58.277 56.048 0.097 0.000 1.323 363 H CB -0.209 29.606 29.762 0.089 0.000 1.381 363 H HN 0.142 nan 8.280 nan 0.000 0.498 364 I N 0.442 121.055 120.570 0.072 0.000 2.163 364 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 364 I C 1.649 177.772 176.117 0.009 0.000 1.085 364 I CA 1.448 62.699 61.300 -0.081 0.000 1.347 364 I CB -0.296 37.576 38.000 -0.214 0.000 1.044 364 I HN 0.367 nan 8.210 nan 0.000 0.408 365 N N 0.073 118.778 118.700 0.008 0.000 2.459 365 N HA -0.077 4.663 4.740 -0.001 0.000 0.181 365 N C 1.727 177.225 175.510 -0.020 0.000 1.046 365 N CA 0.866 53.904 53.050 -0.019 0.000 0.904 365 N CB -0.103 38.363 38.487 -0.034 0.000 0.964 365 N HN 0.205 nan 8.380 nan 0.000 0.444 366 S N 0.048 115.733 115.700 -0.024 0.000 2.524 366 S HA 0.132 4.601 4.470 -0.001 0.000 0.216 366 S C 0.386 174.947 174.600 -0.065 0.000 0.987 366 S CA 0.076 58.255 58.200 -0.036 0.000 0.909 366 S CB 0.407 63.594 63.200 -0.021 0.000 0.781 366 S HN 0.204 nan 8.310 nan 0.000 0.521 367 Q N 1.030 120.774 119.800 -0.094 0.000 2.430 367 Q HA 0.466 4.805 4.340 -0.001 0.000 0.245 367 Q C 0.810 176.695 176.000 -0.192 0.000 1.021 367 Q CA -0.261 55.446 55.803 -0.159 0.000 0.867 367 Q CB 1.218 29.759 28.738 -0.328 0.000 1.210 367 Q HN 0.308 nan 8.270 nan 0.000 0.487 368 A N 2.778 125.541 122.820 -0.096 0.000 1.948 368 A HA -0.273 4.047 4.320 -0.001 0.000 0.220 368 A C 1.630 179.157 177.584 -0.094 0.000 1.177 368 A CA 2.205 54.201 52.037 -0.069 0.000 0.636 368 A CB -0.750 18.233 19.000 -0.028 0.000 0.815 368 A HN 0.903 nan 8.150 nan 0.000 0.449 369 H N -3.180 115.803 119.070 -0.144 0.000 2.489 369 H HA -0.063 4.493 4.556 -0.001 0.000 0.295 369 H C 1.569 176.826 175.328 -0.119 0.000 1.082 369 H CA 1.618 57.566 56.048 -0.168 0.000 1.295 369 H CB -0.712 28.892 29.762 -0.262 0.000 1.380 369 H HN 0.510 nan 8.280 nan 0.000 0.548 370 F N 0.840 120.495 119.950 -0.491 0.000 2.206 370 F HA -0.059 4.467 4.527 -0.001 0.000 0.298 370 F C 0.727 176.465 175.800 -0.104 0.000 1.090 370 F CA 0.463 58.302 58.000 -0.269 0.000 1.323 370 F CB -0.006 38.805 39.000 -0.316 0.000 1.028 370 F HN 0.141 nan 8.300 nan 0.000 0.492 371 N N 0.676 119.421 118.700 0.074 0.000 2.740 371 N HA -0.164 4.576 4.740 -0.001 0.000 0.248 371 N C -1.192 174.300 175.510 -0.030 0.000 1.062 371 N CA 0.407 53.481 53.050 0.040 0.000 0.704 371 N CB -1.564 36.987 38.487 0.107 0.000 0.968 371 N HN 0.034 nan 8.380 nan 0.000 0.547 372 V N 0.591 120.482 119.914 -0.039 0.000 2.735 372 V HA 0.404 4.523 4.120 -0.001 0.000 0.310 372 V C 0.134 176.141 176.094 -0.146 0.000 1.061 372 V CA -0.675 61.549 62.300 -0.125 0.000 0.913 372 V CB 2.469 34.248 31.823 -0.074 0.000 1.005 372 V HN 0.174 nan 8.190 nan 0.000 0.428 373 Q N 3.103 122.761 119.800 -0.237 0.000 2.339 373 Q HA 0.753 5.092 4.340 -0.001 0.000 0.268 373 Q C -0.794 174.946 176.000 -0.434 0.000 1.027 373 Q CA -0.134 55.503 55.803 -0.277 0.000 0.759 373 Q CB 1.602 30.185 28.738 -0.259 0.000 1.244 373 Q HN 0.999 nan 8.270 nan 0.000 0.464 374 A N 4.440 126.986 122.820 -0.456 0.000 2.350 374 A HA 0.861 5.180 4.320 -0.001 0.000 0.324 374 A C -1.173 175.715 177.584 -1.160 0.000 1.118 374 A CA -0.511 51.084 52.037 -0.735 0.000 0.783 374 A CB 1.115 19.860 19.000 -0.426 0.000 1.236 374 A HN 0.805 nan 8.150 nan 0.000 0.457 375 Q N 1.087 120.115 119.800 -1.287 0.000 2.522 375 Q HA 0.541 4.880 4.340 -0.001 0.000 0.285 375 Q C -1.613 173.963 176.000 -0.707 0.000 0.982 375 Q CA -0.764 54.345 55.803 -1.156 0.000 0.805 375 Q CB 0.864 29.277 28.738 -0.541 0.000 1.457 375 Q HN 0.481 nan 8.270 nan 0.000 0.394 376 F N 0.499 120.365 119.950 -0.139 0.000 2.529 376 F HA 0.554 5.081 4.527 -0.001 0.000 0.365 376 F C 1.164 177.006 175.800 0.070 0.000 1.102 376 F CA 1.112 59.155 58.000 0.072 0.000 1.271 376 F CB 1.056 40.156 39.000 0.167 0.000 1.120 376 F HN 0.736 nan 8.300 nan 0.000 0.579 377 G N 0.853 109.830 108.800 0.296 0.000 2.766 377 G HA2 0.603 4.562 3.960 -0.001 0.000 0.288 377 G HA3 0.603 4.562 3.960 -0.001 0.000 0.288 377 G C -1.124 173.784 174.900 0.015 0.000 1.408 377 G CA -0.746 44.474 45.100 0.199 0.000 0.852 377 G HN 0.639 nan 8.290 nan 0.000 0.487 378 T N -1.914 112.573 114.554 -0.112 0.000 2.937 378 T HA 0.465 4.814 4.350 -0.001 0.000 0.283 378 T C 1.273 175.822 174.700 -0.250 0.000 1.012 378 T CA -0.492 61.499 62.100 -0.181 0.000 0.997 378 T CB 1.529 70.304 68.868 -0.155 0.000 1.136 378 T HN 0.513 nan 8.240 nan 0.000 0.551 379 L N 0.559 121.634 121.223 -0.247 0.000 2.046 379 L HA 0.022 4.362 4.340 -0.001 0.000 0.208 379 L C 2.775 179.611 176.870 -0.056 0.000 1.077 379 L CA 1.993 56.720 54.840 -0.189 0.000 0.747 379 L CB -1.147 40.841 42.059 -0.118 0.000 0.896 379 L HN 0.894 nan 8.230 nan 0.000 0.432 380 Q N -0.028 119.762 119.800 -0.016 0.000 2.124 380 Q HA -0.228 4.111 4.340 -0.001 0.000 0.202 380 Q C 2.075 178.011 176.000 -0.108 0.000 0.977 380 Q CA 2.030 57.852 55.803 0.032 0.000 0.850 380 Q CB -0.194 28.536 28.738 -0.014 0.000 0.901 380 Q HN 0.632 nan 8.270 nan 0.000 0.429 381 E N -1.142 118.902 120.200 -0.261 0.000 2.058 381 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 381 E C 1.767 177.900 176.600 -0.779 0.000 0.997 381 E CA 1.318 57.431 56.400 -0.479 0.000 0.801 381 E CB -0.371 28.980 29.700 -0.581 0.000 0.746 381 E HN 0.483 nan 8.360 nan 0.000 0.450 382 Y N 0.616 120.348 120.300 -0.947 0.000 2.097 382 Y HA -0.272 4.278 4.550 -0.001 0.000 0.282 382 Y C 1.923 177.503 175.900 -0.534 0.000 1.152 382 Y CA 1.736 59.306 58.100 -0.883 0.000 1.136 382 Y CB -0.658 37.331 38.460 -0.784 0.000 0.975 382 Y HN -0.036 nan 8.280 nan 0.000 0.498 383 F N 0.549 120.230 119.950 -0.448 0.000 2.134 383 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 383 F C 2.238 177.796 175.800 -0.403 0.000 1.097 383 F CA 1.311 59.025 58.000 -0.476 0.000 1.264 383 F CB -0.353 38.562 39.000 -0.141 0.000 1.001 383 F HN 0.085 nan 8.300 nan 0.000 0.479 384 D N 0.358 120.704 120.400 -0.090 0.000 2.123 384 D HA -0.190 4.450 4.640 -0.001 0.000 0.196 384 D C 2.287 178.510 176.300 -0.129 0.000 0.992 384 D CA 1.479 55.435 54.000 -0.073 0.000 0.833 384 D CB -0.587 40.160 40.800 -0.087 0.000 0.954 384 D HN 0.255 nan 8.370 nan 0.000 0.455 385 A N 0.450 123.134 122.820 -0.226 0.000 1.930 385 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 385 A C 2.532 179.994 177.584 -0.202 0.000 1.175 385 A CA 1.041 52.989 52.037 -0.148 0.000 0.627 385 A CB -0.678 18.310 19.000 -0.021 0.000 0.815 385 A HN 0.141 nan 8.150 nan 0.000 0.443 386 V N -0.080 119.575 119.914 -0.433 0.000 2.287 386 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 386 V C 2.434 178.348 176.094 -0.299 0.000 1.053 386 V CA 2.157 64.199 62.300 -0.431 0.000 1.027 386 V CB -1.022 30.356 31.823 -0.741 0.000 0.646 386 V HN 0.655 nan 8.190 nan 0.000 0.447 387 H N -0.273 118.681 119.070 -0.193 0.000 2.428 387 H HA -0.073 4.483 4.556 -0.001 0.000 0.296 387 H C 2.415 177.707 175.328 -0.059 0.000 1.062 387 H CA 1.346 57.312 56.048 -0.137 0.000 1.350 387 H CB -0.115 29.526 29.762 -0.203 0.000 1.403 387 H HN 0.551 nan 8.280 nan 0.000 0.533 388 Q N 0.358 120.179 119.800 0.035 0.000 2.096 388 Q HA -0.093 4.246 4.340 -0.001 0.000 0.204 388 Q C 2.562 178.582 176.000 0.033 0.000 0.982 388 Q CA 1.458 57.276 55.803 0.025 0.000 0.850 388 Q CB -0.041 28.701 28.738 0.006 0.000 0.901 388 Q HN 0.413 nan 8.270 nan 0.000 0.422 389 A N 1.023 123.859 122.820 0.027 0.000 1.902 389 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 389 A C 1.946 179.564 177.584 0.056 0.000 1.181 389 A CA 1.610 53.676 52.037 0.049 0.000 0.623 389 A CB -0.589 18.444 19.000 0.056 0.000 0.818 389 A HN 0.458 nan 8.150 nan 0.000 0.443 390 E N -0.195 120.056 120.200 0.085 0.000 2.058 390 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 390 E C 2.214 178.853 176.600 0.065 0.000 0.997 390 E CA 1.358 57.815 56.400 0.096 0.000 0.801 390 E CB -0.138 29.728 29.700 0.277 0.000 0.746 390 E HN 0.590 nan 8.360 nan 0.000 0.450 391 R N -0.373 120.168 120.500 0.068 0.000 2.148 391 R HA -0.013 4.327 4.340 -0.001 0.000 0.227 391 R C 2.198 178.516 176.300 0.030 0.000 1.103 391 R CA 0.752 56.878 56.100 0.043 0.000 0.983 391 R CB -0.095 30.226 30.300 0.035 0.000 0.874 391 R HN 0.152 nan 8.270 nan 0.000 0.451 392 A N 0.179 123.019 122.820 0.033 0.000 2.168 392 A HA 0.107 4.426 4.320 -0.001 0.000 0.215 392 A C 1.460 179.056 177.584 0.021 0.000 1.152 392 A CA 1.033 53.087 52.037 0.029 0.000 0.716 392 A CB -0.182 18.843 19.000 0.040 0.000 0.794 392 A HN 0.452 nan 8.150 nan 0.000 0.465 393 G N -0.663 108.145 108.800 0.015 0.000 2.132 393 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.234 393 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.234 393 G C 0.602 175.494 174.900 -0.012 0.000 0.989 393 G CA 0.566 45.665 45.100 -0.002 0.000 0.676 393 G HN 0.931 nan 8.290 nan 0.000 0.522 394 Q N -0.797 119.002 119.800 -0.001 0.000 2.425 394 Q HA 0.676 5.015 4.340 -0.001 0.000 0.204 394 Q C 0.864 176.840 176.000 -0.040 0.000 0.933 394 Q CA 0.959 56.763 55.803 0.002 0.000 0.939 394 Q CB 0.481 29.259 28.738 0.068 0.000 1.044 394 Q HN 1.558 nan 8.270 nan 0.000 0.513 395 A N 1.029 123.784 122.820 -0.109 0.000 2.574 395 A HA 0.575 4.894 4.320 -0.001 0.000 0.297 395 A C -1.749 175.615 177.584 -0.368 0.000 1.062 395 A CA -1.033 50.842 52.037 -0.272 0.000 0.686 395 A CB 1.555 20.308 19.000 -0.410 0.000 1.285 395 A HN 0.233 nan 8.150 nan 0.000 0.403 396 E N 0.688 120.661 120.200 -0.379 0.000 2.222 396 E HA 0.706 5.055 4.350 -0.001 0.000 0.267 396 E C -1.397 174.997 176.600 -0.343 0.000 0.884 396 E CA -0.359 55.884 56.400 -0.263 0.000 0.764 396 E CB 1.324 30.974 29.700 -0.085 0.000 1.169 396 E HN 0.390 nan 8.360 nan 0.000 0.413 397 F N 2.467 122.522 119.950 0.176 0.000 2.450 397 F HA 0.470 4.996 4.527 -0.000 0.000 0.332 397 F C -1.711 174.192 175.800 0.171 0.000 1.093 397 F CA -2.148 55.981 58.000 0.216 0.000 1.003 397 F CB 1.351 40.561 39.000 0.350 0.000 1.151 397 F HN 0.327 nan 8.300 nan 0.000 0.474 398 P HA 0.160 nan 4.420 nan 0.000 0.274 398 P C -0.665 176.776 177.300 0.236 0.000 1.237 398 P CA -0.397 62.836 63.100 0.222 0.000 0.793 398 P CB 0.966 32.765 31.700 0.165 0.000 0.977 399 T N -0.613 114.031 114.554 0.150 0.000 2.907 399 T HA 0.681 5.030 4.350 -0.001 0.000 0.284 399 T C -0.284 174.446 174.700 0.049 0.000 1.004 399 T CA -0.806 61.374 62.100 0.133 0.000 1.063 399 T CB 1.051 69.976 68.868 0.094 0.000 0.992 399 T HN 0.461 nan 8.240 nan 0.000 0.483 400 L N 1.757 123.007 121.223 0.044 0.000 2.472 400 L HA 0.716 5.056 4.340 -0.001 0.000 0.260 400 L C -0.714 176.146 176.870 -0.017 0.000 0.963 400 L CA -0.429 54.328 54.840 -0.138 0.000 0.829 400 L CB 2.187 43.913 42.059 -0.556 0.000 1.348 400 L HN 1.104 nan 8.230 nan 0.000 0.408 401 S N 2.573 118.218 115.700 -0.092 0.000 2.599 401 S HA 1.060 5.530 4.470 -0.001 0.000 0.287 401 S C -0.344 174.180 174.600 -0.127 0.000 1.105 401 S CA 0.004 58.206 58.200 0.003 0.000 0.899 401 S CB 2.094 65.266 63.200 -0.047 0.000 1.100 401 S HN 1.669 nan 8.310 nan 0.000 0.482 402 G N 1.125 109.912 108.800 -0.022 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 -1.820 172.987 174.900 -0.155 0.000 1.275 402 G CA -0.029 44.960 45.100 -0.184 0.000 1.003 402 G HN 1.263 nan 8.290 nan 0.000 0.500 403 D N -1.631 118.553 120.400 -0.360 0.000 2.553 403 D HA 0.743 5.383 4.640 -0.001 0.000 0.249 403 D C -0.605 175.228 176.300 -0.778 0.000 1.062 403 D CA -1.093 52.721 54.000 -0.310 0.000 1.085 403 D CB 1.153 41.949 40.800 -0.007 0.000 1.350 403 D HN 0.412 nan 8.370 nan 0.000 0.575 404 F N -0.419 119.406 119.950 -0.209 0.000 2.679 404 F HA 0.404 4.931 4.527 -0.001 0.000 0.354 404 F C -0.773 174.863 175.800 -0.274 0.000 1.423 404 F CA -0.685 57.196 58.000 -0.198 0.000 1.141 404 F CB 0.240 39.153 39.000 -0.144 0.000 1.168 404 F HN -0.001 nan 8.300 nan 0.000 0.530 405 F N -0.638 119.503 119.950 0.318 0.000 2.538 405 F HA 0.530 5.056 4.527 -0.001 0.000 0.325 405 F C 0.598 176.666 175.800 0.446 0.000 1.066 405 F CA -1.150 57.105 58.000 0.426 0.000 0.946 405 F CB 1.821 41.067 39.000 0.411 0.000 1.199 405 F HN -0.262 nan 8.300 nan 0.000 0.473 406 T N 1.572 116.517 114.554 0.652 0.000 2.799 406 T HA 0.134 4.484 4.350 -0.001 0.000 0.286 406 T C -0.969 174.205 174.700 0.790 0.000 0.973 406 T CA -0.254 62.295 62.100 0.748 0.000 1.035 406 T CB 0.274 69.447 68.868 0.508 0.000 0.932 406 T HN 0.357 nan 8.240 nan 0.000 0.469 407 Y N 3.039 123.672 120.300 0.555 0.000 2.511 407 Y HA 0.420 4.970 4.550 -0.001 0.000 0.332 407 Y C -0.140 175.822 175.900 0.103 0.000 1.177 407 Y CA -1.154 57.102 58.100 0.260 0.000 1.422 407 Y CB 0.068 38.558 38.460 0.050 0.000 1.271 407 Y HN 0.676 nan 8.280 nan 0.000 0.550 408 A N 5.290 127.727 122.820 -0.638 0.000 2.356 408 A HA 0.369 4.688 4.320 -0.001 0.000 0.310 408 A C 0.024 177.048 177.584 -0.934 0.000 1.075 408 A CA -0.271 51.215 52.037 -0.919 0.000 0.746 408 A CB 0.680 18.858 19.000 -1.370 0.000 1.221 408 A HN 0.807 nan 8.150 nan 0.000 0.443 409 D N 1.585 121.551 120.400 -0.723 0.000 2.305 409 D HA 0.041 4.681 4.640 -0.001 0.000 0.206 409 D C 0.538 176.849 176.300 0.018 0.000 0.974 409 D CA 0.591 54.401 54.000 -0.317 0.000 0.871 409 D CB 0.156 40.849 40.800 -0.179 0.000 0.947 409 D HN 0.722 nan 8.370 nan 0.000 0.516 410 R N -2.266 118.183 120.500 -0.084 0.000 2.687 410 R HA 0.422 4.762 4.340 -0.001 0.000 0.265 410 R C -0.137 176.051 176.300 -0.187 0.000 1.048 410 R CA -0.234 55.669 56.100 -0.329 0.000 0.884 410 R CB 0.872 31.053 30.300 -0.198 0.000 1.258 410 R HN -0.106 nan 8.270 nan 0.000 0.469 411 S N 0.240 115.785 115.700 -0.258 0.000 3.927 411 S HA -0.295 4.175 4.470 -0.001 0.000 0.618 411 S C 0.462 175.139 174.600 0.129 0.000 2.201 411 S CA 1.960 60.151 58.200 -0.015 0.000 4.160 411 S CB -1.060 62.122 63.200 -0.030 0.000 0.266 411 S HN 1.085 nan 8.310 nan 0.000 0.760 412 D N 1.402 121.868 120.400 0.110 0.000 2.388 412 D HA 0.182 4.821 4.640 -0.001 0.000 0.221 412 D C 0.055 176.456 176.300 0.169 0.000 1.133 412 D CA -0.113 54.015 54.000 0.213 0.000 0.831 412 D CB -1.462 39.450 40.800 0.187 0.000 0.962 412 D HN 0.514 nan 8.370 nan 0.000 0.502 413 N N 0.946 119.649 118.700 0.006 0.000 2.739 413 N HA 0.045 4.785 4.740 -0.001 0.000 0.266 413 N C -0.907 174.616 175.510 0.022 0.000 1.168 413 N CA -0.305 52.751 53.050 0.010 0.000 1.055 413 N CB 0.115 38.595 38.487 -0.011 0.000 1.393 413 N HN 0.142 nan 8.380 nan 0.000 0.514 414 Y N 0.173 120.555 120.300 0.137 0.000 2.316 414 Y HA 0.103 4.653 4.550 -0.001 0.000 0.331 414 Y C 0.111 176.195 175.900 0.306 0.000 1.083 414 Y CA -0.630 57.614 58.100 0.240 0.000 1.206 414 Y CB 0.563 39.116 38.460 0.155 0.000 1.195 414 Y HN 0.386 nan 8.280 nan 0.000 0.497 415 W N 2.513 123.939 121.300 0.210 0.000 1.603 415 W HA 0.240 4.900 4.660 -0.001 0.000 0.392 415 W C 0.776 177.333 176.519 0.064 0.000 0.661 415 W CA -0.582 56.913 57.345 0.250 0.000 2.021 415 W CB -0.366 29.347 29.460 0.421 0.000 1.759 415 W HN 0.552 nan 8.180 nan 0.000 0.334 416 S N -2.081 113.643 115.700 0.040 0.000 2.540 416 S HA 0.142 4.612 4.470 -0.001 0.000 0.218 416 S C 1.927 176.250 174.600 -0.460 0.000 0.977 416 S CA 0.301 58.165 58.200 -0.560 0.000 0.918 416 S CB 0.204 63.391 63.200 -0.021 0.000 0.806 416 S HN 0.339 nan 8.310 nan 0.000 0.496 417 G N 2.095 110.821 108.800 -0.123 0.000 2.418 417 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 417 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 417 G C 1.252 176.126 174.900 -0.044 0.000 1.158 417 G CA 0.949 45.995 45.100 -0.090 0.000 0.771 417 G HN 0.807 nan 8.290 nan 0.000 0.545 418 Y N -0.926 119.342 120.300 -0.052 0.000 2.616 418 Y HA 0.201 4.750 4.550 -0.001 0.000 0.296 418 Y C 1.993 178.014 175.900 0.202 0.000 1.154 418 Y CA -0.083 58.065 58.100 0.081 0.000 1.325 418 Y CB -0.531 38.060 38.460 0.217 0.000 1.007 418 Y HN 0.334 nan 8.280 nan 0.000 0.542 419 Y N 0.303 120.379 120.300 -0.373 0.000 2.497 419 Y HA -0.123 4.426 4.550 -0.001 0.000 0.292 419 Y C 1.556 177.408 175.900 -0.080 0.000 1.137 419 Y CA 0.747 58.668 58.100 -0.298 0.000 1.285 419 Y CB 0.137 38.459 38.460 -0.229 0.000 0.991 419 Y HN 0.253 nan 8.280 nan 0.000 0.556 420 T N -2.223 112.398 114.554 0.112 0.000 2.964 420 T HA 0.051 4.401 4.350 -0.001 0.000 0.250 420 T C 0.643 175.431 174.700 0.146 0.000 0.982 420 T CA -0.147 62.021 62.100 0.113 0.000 0.959 420 T CB 0.127 69.033 68.868 0.064 0.000 1.141 420 T HN -0.085 nan 8.240 nan 0.000 0.494 421 S N 2.432 118.216 115.700 0.140 0.000 2.558 421 S HA 0.193 4.663 4.470 -0.001 0.000 0.293 421 S C 0.414 175.147 174.600 0.221 0.000 1.292 421 S CA -0.000 58.293 58.200 0.155 0.000 1.063 421 S CB 0.089 63.365 63.200 0.128 0.000 0.831 421 S HN 0.397 nan 8.310 nan 0.000 0.499 422 R N 1.073 121.720 120.500 0.246 0.000 3.209 422 R HA -0.120 4.219 4.340 -0.001 0.000 0.252 422 R C -2.048 174.500 176.300 0.413 0.000 0.958 422 R CA 0.678 56.997 56.100 0.365 0.000 0.651 422 R CB -1.767 28.771 30.300 0.395 0.000 1.142 422 R HN 0.500 nan 8.270 nan 0.000 0.441 423 P HA -0.209 nan 4.420 nan 0.000 0.223 423 P C 1.108 178.620 177.300 0.355 0.000 1.151 423 P CA 0.915 64.233 63.100 0.364 0.000 0.787 423 P CB -0.018 31.942 31.700 0.433 0.000 0.788 424 Y N 1.535 121.930 120.300 0.159 0.000 2.165 424 Y HA -0.244 4.306 4.550 -0.001 0.000 0.286 424 Y C 2.578 178.464 175.900 -0.023 0.000 1.155 424 Y CA 1.906 60.015 58.100 0.015 0.000 1.164 424 Y CB -0.734 37.606 38.460 -0.199 0.000 0.978 424 Y HN 0.075 nan 8.280 nan 0.000 0.513 425 H N -0.595 118.708 119.070 0.389 0.000 2.470 425 H HA -0.009 4.546 4.556 -0.001 0.000 0.289 425 H C 1.995 177.459 175.328 0.227 0.000 1.033 425 H CA 1.128 57.330 56.048 0.257 0.000 1.331 425 H CB 0.018 30.003 29.762 0.373 0.000 1.414 425 H HN 0.381 nan 8.280 nan 0.000 0.545 426 K N 0.784 121.397 120.400 0.355 0.000 2.063 426 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 426 K C 2.421 179.067 176.600 0.076 0.000 1.048 426 K CA 1.171 57.602 56.287 0.240 0.000 0.928 426 K CB 0.103 32.727 32.500 0.206 0.000 0.713 426 K HN -0.021 nan 8.250 nan 0.000 0.442 427 R N 1.324 121.836 120.500 0.021 0.000 2.075 427 R HA -0.009 4.330 4.340 -0.001 0.000 0.232 427 R C 2.068 178.093 176.300 -0.458 0.000 1.126 427 R CA 1.464 57.496 56.100 -0.112 0.000 0.963 427 R CB -0.427 29.894 30.300 0.035 0.000 0.858 427 R HN 0.165 nan 8.270 nan 0.000 0.435 428 M N 0.278 119.469 119.600 -0.681 0.000 2.149 428 M HA -0.211 4.268 4.480 -0.001 0.000 0.261 428 M C 1.471 177.398 176.300 -0.621 0.000 1.064 428 M CA 2.430 57.084 55.300 -1.077 0.000 1.102 428 M CB -0.348 31.813 32.600 -0.731 0.000 1.369 428 M HN 0.286 nan 8.290 nan 0.000 0.408 429 D N -0.271 119.966 120.400 -0.272 0.000 2.116 429 D HA -0.228 4.412 4.640 -0.001 0.000 0.193 429 D C 1.893 178.094 176.300 -0.165 0.000 0.998 429 D CA 1.538 55.485 54.000 -0.089 0.000 0.836 429 D CB 0.108 41.009 40.800 0.169 0.000 0.951 429 D HN 0.219 nan 8.370 nan 0.000 0.449 430 R N 0.015 120.401 120.500 -0.189 0.000 2.115 430 R HA -0.009 4.330 4.340 -0.001 0.000 0.226 430 R C 2.441 178.613 176.300 -0.213 0.000 1.100 430 R CA 0.435 56.433 56.100 -0.171 0.000 0.980 430 R CB -0.944 29.278 30.300 -0.130 0.000 0.875 430 R HN 0.265 nan 8.270 nan 0.000 0.445 431 V N 1.531 121.215 119.914 -0.384 0.000 2.261 431 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 431 V C 2.370 178.253 176.094 -0.350 0.000 1.047 431 V CA 1.537 63.581 62.300 -0.426 0.000 1.015 431 V CB -0.585 30.685 31.823 -0.921 0.000 0.642 431 V HN 0.139 nan 8.190 nan 0.000 0.446 432 L N -0.372 120.582 121.223 -0.447 0.000 2.083 432 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 432 L C 2.310 179.101 176.870 -0.133 0.000 1.083 432 L CA 2.016 56.666 54.840 -0.316 0.000 0.752 432 L CB -0.681 41.195 42.059 -0.305 0.000 0.899 432 L HN 0.335 nan 8.230 nan 0.000 0.433 433 M N -1.440 118.082 119.600 -0.129 0.000 2.082 433 M HA -0.311 4.169 4.480 -0.001 0.000 0.258 433 M C 2.433 178.695 176.300 -0.063 0.000 1.069 433 M CA 2.292 57.524 55.300 -0.114 0.000 1.102 433 M CB -0.616 31.883 32.600 -0.167 0.000 1.336 433 M HN 0.534 nan 8.290 nan 0.000 0.404 434 H N -0.905 118.125 119.070 -0.067 0.000 2.363 434 H HA -0.171 4.385 4.556 -0.001 0.000 0.301 434 H C 1.709 177.095 175.328 0.098 0.000 1.074 434 H CA 2.069 58.118 56.048 0.001 0.000 1.354 434 H CB -0.260 29.515 29.762 0.023 0.000 1.397 434 H HN 0.448 nan 8.280 nan 0.000 0.516 435 Y N 0.563 120.736 120.300 -0.212 0.000 2.224 435 Y HA -0.170 4.379 4.550 -0.001 0.000 0.289 435 Y C 2.961 178.746 175.900 -0.192 0.000 1.146 435 Y CA 1.044 59.021 58.100 -0.204 0.000 1.182 435 Y CB -0.605 37.792 38.460 -0.105 0.000 0.983 435 Y HN 0.024 nan 8.280 nan 0.000 0.524 436 V N 0.106 120.016 119.914 -0.007 0.000 2.295 436 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 436 V C 2.528 178.567 176.094 -0.092 0.000 1.049 436 V CA 2.171 64.438 62.300 -0.057 0.000 1.024 436 V CB -0.611 31.170 31.823 -0.071 0.000 0.648 436 V HN 0.302 nan 8.190 nan 0.000 0.447 437 R N 0.402 120.827 120.500 -0.124 0.000 2.083 437 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 437 R C 2.265 178.504 176.300 -0.102 0.000 1.137 437 R CA 1.942 57.975 56.100 -0.112 0.000 0.951 437 R CB -0.510 29.722 30.300 -0.114 0.000 0.851 437 R HN 0.465 nan 8.270 nan 0.000 0.434 438 A N 0.618 123.319 122.820 -0.199 0.000 1.902 438 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 438 A C 2.372 179.905 177.584 -0.086 0.000 1.181 438 A CA 1.631 53.606 52.037 -0.103 0.000 0.623 438 A CB -0.753 18.111 19.000 -0.228 0.000 0.818 438 A HN 0.578 nan 8.150 nan 0.000 0.443 439 A N -0.204 122.558 122.820 -0.098 0.000 1.898 439 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 439 A C 1.942 179.477 177.584 -0.082 0.000 1.181 439 A CA 1.550 53.539 52.037 -0.080 0.000 0.620 439 A CB -0.493 18.469 19.000 -0.063 0.000 0.819 439 A HN 0.620 nan 8.150 nan 0.000 0.442 440 E N -0.985 119.166 120.200 -0.081 0.000 2.106 440 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 440 E C 2.060 178.599 176.600 -0.102 0.000 0.984 440 E CA 1.306 57.651 56.400 -0.092 0.000 0.806 440 E CB -0.250 29.398 29.700 -0.086 0.000 0.750 440 E HN 0.748 nan 8.360 nan 0.000 0.458 441 M N 0.740 120.300 119.600 -0.067 0.000 2.077 441 M HA -0.146 4.333 4.480 -0.001 0.000 0.261 441 M C 2.164 178.450 176.300 -0.023 0.000 1.070 441 M CA 1.347 56.607 55.300 -0.067 0.000 1.125 441 M CB 0.037 32.692 32.600 0.092 0.000 1.339 441 M HN 0.074 nan 8.290 nan 0.000 0.409 442 L N 0.072 121.334 121.223 0.065 0.000 2.083 442 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 442 L C 2.611 179.636 176.870 0.258 0.000 1.083 442 L CA 1.712 56.653 54.840 0.168 0.000 0.752 442 L CB -0.525 41.483 42.059 -0.086 0.000 0.899 442 L HN 0.516 nan 8.230 nan 0.000 0.433 443 S N -1.046 114.726 115.700 0.120 0.000 2.527 443 S HA 0.077 4.547 4.470 -0.001 0.000 0.222 443 S C 1.951 176.722 174.600 0.286 0.000 0.985 443 S CA 0.372 58.718 58.200 0.244 0.000 0.921 443 S CB 0.039 63.187 63.200 -0.087 0.000 0.772 443 S HN 0.292 nan 8.310 nan 0.000 0.529 444 A N 0.889 123.700 122.820 -0.015 0.000 2.067 444 A HA 0.111 4.431 4.320 -0.001 0.000 0.219 444 A C 1.680 179.148 177.584 -0.192 0.000 1.158 444 A CA 0.686 52.615 52.037 -0.179 0.000 0.661 444 A CB -1.147 17.602 19.000 -0.419 0.000 0.801 444 A HN 0.757 nan 8.150 nan 0.000 0.452 445 W N -0.577 120.728 121.300 0.007 0.000 2.392 445 W HA -0.024 4.635 4.660 -0.001 0.000 0.279 445 W C 0.879 177.169 176.519 -0.382 0.000 1.225 445 W CA 0.989 58.234 57.345 -0.167 0.000 1.233 445 W CB -0.182 29.138 29.460 -0.234 0.000 1.122 445 W HN 0.393 nan 8.180 nan 0.000 0.561 446 H N -2.200 116.929 119.070 0.098 0.000 2.771 446 H HA 0.384 4.940 4.556 -0.001 0.000 0.367 446 H C -0.312 174.913 175.328 -0.171 0.000 1.172 446 H CA -0.922 55.021 56.048 -0.176 0.000 1.186 446 H CB 1.562 30.969 29.762 -0.591 0.000 1.790 446 H HN -0.428 nan 8.280 nan 0.000 0.556 447 S N 0.865 116.520 115.700 -0.075 0.000 2.537 447 S HA 0.202 4.672 4.470 -0.001 0.000 0.275 447 S C -1.111 173.375 174.600 -0.190 0.000 1.272 447 S CA -0.597 57.581 58.200 -0.037 0.000 1.050 447 S CB 0.222 63.413 63.200 -0.015 0.000 0.961 447 S HN 0.331 nan 8.310 nan 0.000 0.496 448 W N 1.340 122.642 121.300 0.003 0.000 2.666 448 W HA 0.352 5.012 4.660 -0.001 0.000 0.334 448 W C 0.003 176.481 176.519 -0.070 0.000 1.051 448 W CA -0.886 56.434 57.345 -0.042 0.000 1.224 448 W CB 0.597 30.000 29.460 -0.095 0.000 1.405 448 W HN 0.561 nan 8.180 nan 0.000 0.513 449 D N 0.769 121.250 120.400 0.136 0.000 2.423 449 D HA 0.160 4.800 4.640 -0.001 0.000 0.238 449 D C 1.654 177.955 176.300 0.002 0.000 1.142 449 D CA 1.127 55.167 54.000 0.067 0.000 0.884 449 D CB 1.246 42.109 40.800 0.105 0.000 1.199 449 D HN 0.551 nan 8.370 nan 0.000 0.438 450 G N 2.869 111.678 108.800 0.016 0.000 2.475 450 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.220 450 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.220 450 G C 1.312 176.189 174.900 -0.039 0.000 1.125 450 G CA 0.512 45.608 45.100 -0.006 0.000 0.755 450 G HN 0.480 nan 8.290 nan 0.000 0.565 451 M N 1.030 120.618 119.600 -0.020 0.000 2.460 451 M HA 0.101 4.580 4.480 -0.001 0.000 0.263 451 M C 2.775 178.997 176.300 -0.131 0.000 1.071 451 M CA 0.754 56.066 55.300 0.020 0.000 1.096 451 M CB -0.914 31.793 32.600 0.179 0.000 1.408 451 M HN 0.320 nan 8.290 nan 0.000 0.463 452 A N -0.094 122.411 122.820 -0.525 0.000 2.119 452 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 452 A C 1.244 178.623 177.584 -0.341 0.000 1.152 452 A CA 0.403 51.915 52.037 -0.876 0.000 0.708 452 A CB -0.349 17.985 19.000 -1.110 0.000 0.805 452 A HN 0.588 nan 8.150 nan 0.000 0.460 453 R N -1.771 118.608 120.500 -0.203 0.000 3.641 453 R HA -0.181 4.158 4.340 -0.001 0.000 0.286 453 R C 0.651 176.848 176.300 -0.172 0.000 1.153 453 R CA 0.737 56.761 56.100 -0.127 0.000 0.775 453 R CB -2.125 28.135 30.300 -0.067 0.000 1.215 453 R HN 0.473 nan 8.270 nan 0.000 0.474 454 I N 0.544 120.961 120.570 -0.255 0.000 2.193 454 I HA -0.175 3.994 4.170 -0.001 0.000 0.240 454 I C 2.156 178.153 176.117 -0.201 0.000 1.084 454 I CA 1.642 62.742 61.300 -0.332 0.000 1.365 454 I CB -0.720 36.926 38.000 -0.591 0.000 1.064 454 I HN 0.189 nan 8.210 nan 0.000 0.410 455 E N 0.754 120.874 120.200 -0.134 0.000 2.118 455 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 455 E C 2.095 178.652 176.600 -0.071 0.000 0.992 455 E CA 1.300 57.650 56.400 -0.083 0.000 0.804 455 E CB -0.248 29.426 29.700 -0.043 0.000 0.741 455 E HN 0.481 nan 8.360 nan 0.000 0.458 456 E N 0.401 120.560 120.200 -0.067 0.000 2.058 456 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 456 E C 1.948 178.513 176.600 -0.059 0.000 0.997 456 E CA 1.097 57.467 56.400 -0.050 0.000 0.801 456 E CB 0.090 29.765 29.700 -0.042 0.000 0.746 456 E HN -0.021 nan 8.360 nan 0.000 0.450 457 R N 0.234 120.687 120.500 -0.077 0.000 2.092 457 R HA 0.010 4.350 4.340 -0.001 0.000 0.231 457 R C 2.386 178.640 176.300 -0.077 0.000 1.119 457 R CA 0.848 56.905 56.100 -0.072 0.000 0.970 457 R CB -0.409 29.843 30.300 -0.081 0.000 0.864 457 R HN 0.271 nan 8.270 nan 0.000 0.440 458 L N -0.088 121.078 121.223 -0.095 0.000 2.093 458 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 458 L C 2.375 179.191 176.870 -0.091 0.000 1.085 458 L CA 1.493 56.278 54.840 -0.093 0.000 0.755 458 L CB -0.411 41.586 42.059 -0.103 0.000 0.904 458 L HN 0.301 nan 8.230 nan 0.000 0.435 459 E N 0.140 120.289 120.200 -0.084 0.000 2.077 459 E HA -0.301 4.049 4.350 -0.001 0.000 0.193 459 E C 2.204 178.738 176.600 -0.111 0.000 0.989 459 E CA 1.271 57.615 56.400 -0.095 0.000 0.800 459 E CB -0.019 29.646 29.700 -0.058 0.000 0.746 459 E HN 0.425 nan 8.360 nan 0.000 0.452 460 Q N 0.090 119.843 119.800 -0.078 0.000 2.030 460 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 460 Q C 2.107 178.060 176.000 -0.078 0.000 0.986 460 Q CA 1.828 57.591 55.803 -0.066 0.000 0.843 460 Q CB -0.267 28.446 28.738 -0.043 0.000 0.904 460 Q HN 0.364 nan 8.270 nan 0.000 0.420 461 A N 0.998 123.773 122.820 -0.075 0.000 1.877 461 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 461 A C 2.094 179.619 177.584 -0.098 0.000 1.186 461 A CA 1.486 53.479 52.037 -0.072 0.000 0.620 461 A CB -0.526 18.439 19.000 -0.058 0.000 0.822 461 A HN 0.382 nan 8.150 nan 0.000 0.443 462 R N -0.824 119.599 120.500 -0.127 0.000 2.096 462 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 462 R C 2.430 178.584 176.300 -0.242 0.000 1.127 462 R CA 1.572 57.573 56.100 -0.166 0.000 0.968 462 R CB -0.257 29.936 30.300 -0.178 0.000 0.861 462 R HN 0.491 nan 8.270 nan 0.000 0.440 463 R N 0.159 120.485 120.500 -0.290 0.000 2.090 463 R HA -0.054 4.286 4.340 -0.001 0.000 0.228 463 R C 2.044 178.273 176.300 -0.118 0.000 1.110 463 R CA 0.820 56.673 56.100 -0.412 0.000 0.973 463 R CB 0.057 30.130 30.300 -0.379 0.000 0.869 463 R HN 0.173 nan 8.270 nan 0.000 0.440 464 E N 0.848 121.015 120.200 -0.055 0.000 2.072 464 E HA -0.164 4.186 4.350 -0.001 0.000 0.190 464 E C 1.970 178.596 176.600 0.045 0.000 0.982 464 E CA 0.753 57.165 56.400 0.020 0.000 0.803 464 E CB -0.245 29.454 29.700 -0.000 0.000 0.755 464 E HN 0.139 nan 8.360 nan 0.000 0.453 465 L N 1.288 122.506 121.223 -0.009 0.000 2.046 465 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 465 L C 2.169 179.080 176.870 0.068 0.000 1.077 465 L CA 1.608 56.460 54.840 0.019 0.000 0.747 465 L CB -0.621 41.415 42.059 -0.038 0.000 0.896 465 L HN -0.088 nan 8.230 nan 0.000 0.432 466 S N -0.448 115.259 115.700 0.012 0.000 2.368 466 S HA -0.189 4.281 4.470 -0.001 0.000 0.225 466 S C 1.856 176.596 174.600 0.233 0.000 1.030 466 S CA 1.568 59.811 58.200 0.070 0.000 0.999 466 S CB -0.581 62.562 63.200 -0.096 0.000 0.844 466 S HN 0.447 nan 8.310 nan 0.000 0.459 467 L N 0.590 121.993 121.223 0.301 0.000 2.079 467 L HA -0.032 4.308 4.340 -0.001 0.000 0.210 467 L C 1.881 178.865 176.870 0.189 0.000 1.081 467 L CA 1.585 56.604 54.840 0.298 0.000 0.752 467 L CB -0.557 41.654 42.059 0.253 0.000 0.896 467 L HN 0.287 nan 8.230 nan 0.000 0.433 468 F N -0.387 119.539 119.950 -0.040 0.000 2.451 468 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 468 F C 2.184 177.905 175.800 -0.131 0.000 1.101 468 F CA 0.798 58.664 58.000 -0.223 0.000 1.436 468 F CB -0.210 38.689 39.000 -0.168 0.000 1.074 468 F HN 0.235 nan 8.300 nan 0.000 0.553 469 Q N -0.317 119.451 119.800 -0.053 0.000 2.437 469 Q HA -0.154 4.186 4.340 -0.001 0.000 0.210 469 Q C 0.754 176.698 176.000 -0.093 0.000 0.972 469 Q CA 0.444 56.193 55.803 -0.089 0.000 0.903 469 Q CB -1.282 27.471 28.738 0.025 0.000 0.967 469 Q HN 0.557 nan 8.270 nan 0.000 0.486 470 H N 1.905 120.866 119.070 -0.181 0.000 3.073 470 H HA -0.102 4.454 4.556 -0.001 0.000 0.340 470 H C 1.129 176.312 175.328 -0.243 0.000 1.054 470 H CA 0.444 56.384 56.048 -0.180 0.000 1.372 470 H CB 0.682 30.354 29.762 -0.151 0.000 1.314 470 H HN 0.342 nan 8.280 nan 0.000 0.603 471 H N 2.907 121.552 119.070 -0.708 0.000 2.567 471 H HA -0.040 4.516 4.556 -0.001 0.000 0.276 471 H C -0.234 174.663 175.328 -0.719 0.000 1.016 471 H CA 0.491 56.090 56.048 -0.749 0.000 1.186 471 H CB 0.271 29.593 29.762 -0.734 0.000 1.351 471 H HN 0.590 nan 8.280 nan 0.000 0.605 472 D N 0.361 120.082 120.400 -1.132 0.000 2.469 472 D HA 0.124 4.764 4.640 -0.001 0.000 0.215 472 D C 1.649 177.933 176.300 -0.027 0.000 1.154 472 D CA 0.331 54.192 54.000 -0.232 0.000 0.832 472 D CB 0.811 41.709 40.800 0.164 0.000 1.008 472 D HN 0.524 nan 8.370 nan 0.000 0.506 473 G N 1.324 109.899 108.800 -0.376 0.000 2.618 473 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.222 473 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.222 473 G C 1.372 175.670 174.900 -1.004 0.000 1.520 473 G CA -0.205 44.405 45.100 -0.816 0.000 0.930 473 G HN 0.200 nan 8.290 nan 0.000 0.547 474 I N 1.956 121.668 120.570 -1.429 0.000 2.423 474 I HA -0.201 3.969 4.170 -0.001 0.000 0.254 474 I C 2.897 178.913 176.117 -0.169 0.000 1.151 474 I CA 2.107 62.884 61.300 -0.872 0.000 1.421 474 I CB -0.049 37.617 38.000 -0.557 0.000 1.079 474 I HN 0.386 nan 8.210 nan 0.000 0.431 475 T N -1.693 112.812 114.554 -0.082 0.000 3.007 475 T HA 0.027 4.376 4.350 -0.001 0.000 0.270 475 T C 1.537 176.379 174.700 0.236 0.000 1.107 475 T CA 0.639 62.879 62.100 0.233 0.000 1.118 475 T CB -0.510 68.493 68.868 0.225 0.000 0.889 475 T HN 0.649 nan 8.240 nan 0.000 0.506 476 G N 1.446 110.338 108.800 0.152 0.000 2.198 476 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.257 476 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.257 476 G C 0.538 175.509 174.900 0.118 0.000 1.042 476 G CA 0.642 45.853 45.100 0.185 0.000 0.791 476 G HN 1.164 nan 8.290 nan 0.000 0.502 477 T N -3.480 111.139 114.554 0.108 0.000 3.215 477 T HA 0.739 5.088 4.350 -0.001 0.000 0.271 477 T C 0.851 175.743 174.700 0.321 0.000 1.012 477 T CA 1.033 63.132 62.100 -0.002 0.000 0.899 477 T CB 0.981 69.670 68.868 -0.299 0.000 1.089 477 T HN 1.577 nan 8.240 nan 0.000 0.552 478 A N 1.294 124.315 122.820 0.336 0.000 2.281 478 A HA 0.691 5.010 4.320 -0.001 0.000 0.329 478 A C 0.174 177.847 177.584 0.149 0.000 1.122 478 A CA -0.948 51.312 52.037 0.371 0.000 0.850 478 A CB 0.868 20.137 19.000 0.448 0.000 1.207 478 A HN 0.397 nan 8.150 nan 0.000 0.495 479 K N -0.062 120.355 120.400 0.028 0.000 2.380 479 K HA 0.131 4.451 4.320 -0.001 0.000 0.267 479 K C 1.069 177.671 176.600 0.003 0.000 0.990 479 K CA 0.378 56.663 56.287 -0.004 0.000 0.946 479 K CB 0.363 32.850 32.500 -0.021 0.000 0.937 479 K HN 0.745 nan 8.250 nan 0.000 0.491 480 T N 1.428 116.016 114.554 0.058 0.000 2.653 480 T HA -0.210 4.139 4.350 -0.001 0.000 0.268 480 T C 1.671 176.402 174.700 0.053 0.000 1.035 480 T CA 1.870 64.009 62.100 0.065 0.000 1.154 480 T CB -0.421 68.495 68.868 0.079 0.000 0.862 480 T HN 0.696 nan 8.240 nan 0.000 0.441 481 H N 0.536 119.603 119.070 -0.006 0.000 2.495 481 H HA 0.100 4.655 4.556 -0.001 0.000 0.287 481 H C 2.006 177.311 175.328 -0.038 0.000 1.033 481 H CA 0.862 56.900 56.048 -0.017 0.000 1.307 481 H CB -0.732 29.015 29.762 -0.025 0.000 1.401 481 H HN 0.282 nan 8.280 nan 0.000 0.555 482 V N 1.129 120.698 119.914 -0.575 0.000 2.407 482 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 482 V C 3.022 178.942 176.094 -0.290 0.000 1.041 482 V CA 1.053 63.052 62.300 -0.502 0.000 1.040 482 V CB -0.410 31.160 31.823 -0.423 0.000 0.671 482 V HN 0.230 nan 8.190 nan 0.000 0.455 483 V N 0.054 119.927 119.914 -0.069 0.000 2.332 483 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 483 V C 2.468 178.550 176.094 -0.019 0.000 1.055 483 V CA 1.990 64.305 62.300 0.026 0.000 1.038 483 V CB -0.550 31.245 31.823 -0.046 0.000 0.651 483 V HN 0.414 nan 8.190 nan 0.000 0.450 484 V N 0.390 120.299 119.914 -0.008 0.000 2.343 484 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 484 V C 2.307 178.422 176.094 0.035 0.000 1.051 484 V CA 2.454 64.780 62.300 0.043 0.000 1.036 484 V CB -0.688 31.167 31.823 0.055 0.000 0.654 484 V HN 0.650 nan 8.190 nan 0.000 0.451 485 D N -1.022 119.354 120.400 -0.040 0.000 2.097 485 D HA -0.205 4.435 4.640 -0.001 0.000 0.195 485 D C 2.009 178.318 176.300 0.015 0.000 0.989 485 D CA 1.641 55.611 54.000 -0.049 0.000 0.827 485 D CB -0.248 40.464 40.800 -0.146 0.000 0.966 485 D HN 0.595 nan 8.370 nan 0.000 0.456 486 Y N 0.429 120.769 120.300 0.066 0.000 2.181 486 Y HA -0.136 4.413 4.550 -0.001 0.000 0.288 486 Y C 2.567 178.442 175.900 -0.042 0.000 1.146 486 Y CA 1.128 59.262 58.100 0.058 0.000 1.164 486 Y CB -0.122 38.445 38.460 0.179 0.000 0.982 486 Y HN 0.084 nan 8.280 nan 0.000 0.515 487 E N 0.518 120.821 120.200 0.172 0.000 2.051 487 E HA -0.273 4.077 4.350 -0.001 0.000 0.192 487 E C 2.011 178.686 176.600 0.125 0.000 0.991 487 E CA 1.456 57.969 56.400 0.189 0.000 0.799 487 E CB -0.063 29.837 29.700 0.332 0.000 0.748 487 E HN 0.561 nan 8.360 nan 0.000 0.449 488 Q N -0.058 119.804 119.800 0.103 0.000 2.084 488 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 488 Q C 2.341 178.375 176.000 0.057 0.000 0.978 488 Q CA 1.458 57.306 55.803 0.074 0.000 0.844 488 Q CB -0.102 28.672 28.738 0.060 0.000 0.898 488 Q HN 0.199 nan 8.270 nan 0.000 0.426 489 R N 0.069 120.607 120.500 0.063 0.000 2.073 489 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 489 R C 2.281 178.590 176.300 0.016 0.000 1.134 489 R CA 1.501 57.630 56.100 0.049 0.000 0.952 489 R CB -0.176 30.177 30.300 0.088 0.000 0.850 489 R HN 0.297 nan 8.270 nan 0.000 0.433 490 M N 0.248 119.843 119.600 -0.009 0.000 2.229 490 M HA -0.178 4.301 4.480 -0.001 0.000 0.264 490 M C 2.180 178.451 176.300 -0.049 0.000 1.063 490 M CA 1.590 56.844 55.300 -0.075 0.000 1.114 490 M CB -0.184 32.306 32.600 -0.184 0.000 1.387 490 M HN 0.218 nan 8.290 nan 0.000 0.420 491 Q N 0.304 120.111 119.800 0.013 0.000 2.084 491 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 491 Q C 1.809 177.821 176.000 0.019 0.000 0.978 491 Q CA 1.531 57.358 55.803 0.039 0.000 0.844 491 Q CB -0.111 28.672 28.738 0.075 0.000 0.898 491 Q HN 0.565 nan 8.270 nan 0.000 0.426 492 E N 0.435 120.644 120.200 0.016 0.000 2.077 492 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 492 E C 1.935 178.534 176.600 -0.003 0.000 0.989 492 E CA 1.007 57.413 56.400 0.010 0.000 0.800 492 E CB -0.137 29.570 29.700 0.011 0.000 0.746 492 E HN 0.359 nan 8.360 nan 0.000 0.452 493 A N 0.982 123.791 122.820 -0.019 0.000 1.902 493 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 493 A C 2.175 179.743 177.584 -0.026 0.000 1.181 493 A CA 1.069 53.086 52.037 -0.034 0.000 0.623 493 A CB -0.620 18.346 19.000 -0.056 0.000 0.818 493 A HN 0.143 nan 8.150 nan 0.000 0.443 494 L N -0.728 120.466 121.223 -0.050 0.000 2.046 494 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 494 L C 2.603 179.517 176.870 0.073 0.000 1.077 494 L CA 1.747 56.560 54.840 -0.044 0.000 0.747 494 L CB -0.407 41.561 42.059 -0.152 0.000 0.896 494 L HN 0.365 nan 8.230 nan 0.000 0.432 495 K N -0.107 120.322 120.400 0.047 0.000 2.097 495 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 495 K C 2.236 178.864 176.600 0.046 0.000 1.049 495 K CA 1.294 57.614 56.287 0.055 0.000 0.933 495 K CB -0.260 32.261 32.500 0.034 0.000 0.717 495 K HN 0.286 nan 8.250 nan 0.000 0.442 496 A N 1.189 124.024 122.820 0.024 0.000 1.877 496 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 496 A C 2.444 180.035 177.584 0.012 0.000 1.186 496 A CA 1.589 53.628 52.037 0.004 0.000 0.620 496 A CB -1.030 17.960 19.000 -0.016 0.000 0.822 496 A HN 0.416 nan 8.150 nan 0.000 0.443 497 C N -0.903 118.424 119.300 0.045 0.000 2.429 497 C HA -0.133 4.326 4.460 -0.001 0.000 0.277 497 C C 2.907 177.943 174.990 0.077 0.000 1.262 497 C CA 1.157 60.213 59.018 0.064 0.000 1.733 497 C CB -1.489 26.343 27.740 0.153 0.000 2.010 497 C HN 0.682 nan 8.230 nan 0.000 0.483 498 Q N -0.087 119.790 119.800 0.128 0.000 2.061 498 Q HA -0.280 4.060 4.340 -0.001 0.000 0.204 498 Q C 2.205 178.270 176.000 0.108 0.000 0.984 498 Q CA 1.894 57.768 55.803 0.118 0.000 0.846 498 Q CB -0.366 28.453 28.738 0.135 0.000 0.902 498 Q HN 0.628 nan 8.270 nan 0.000 0.421 499 M N 0.315 119.955 119.600 0.066 0.000 2.080 499 M HA -0.140 4.339 4.480 -0.001 0.000 0.260 499 M C 1.918 178.235 176.300 0.027 0.000 1.068 499 M CA 1.542 56.872 55.300 0.051 0.000 1.109 499 M CB -0.333 32.279 32.600 0.019 0.000 1.342 499 M HN 0.011 nan 8.290 nan 0.000 0.405 500 V N 0.168 120.062 119.914 -0.033 0.000 2.358 500 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 500 V C 2.421 178.471 176.094 -0.074 0.000 1.047 500 V CA 2.144 64.365 62.300 -0.132 0.000 1.035 500 V CB -0.699 31.024 31.823 -0.167 0.000 0.658 500 V HN 0.550 nan 8.190 nan 0.000 0.452 501 M N 0.311 119.919 119.600 0.014 0.000 2.080 501 M HA -0.267 4.213 4.480 -0.001 0.000 0.260 501 M C 2.381 178.718 176.300 0.062 0.000 1.068 501 M CA 2.447 57.787 55.300 0.066 0.000 1.109 501 M CB -0.484 32.245 32.600 0.215 0.000 1.342 501 M HN 0.545 nan 8.290 nan 0.000 0.405 502 Q N -0.230 119.693 119.800 0.204 0.000 2.123 502 Q HA -0.123 4.217 4.340 -0.001 0.000 0.199 502 Q C 1.821 178.003 176.000 0.302 0.000 0.966 502 Q CA 1.129 57.081 55.803 0.249 0.000 0.845 502 Q CB -0.630 28.364 28.738 0.426 0.000 0.907 502 Q HN 0.406 nan 8.270 nan 0.000 0.439 503 Q N 0.628 120.593 119.800 0.276 0.000 2.096 503 Q HA -0.083 4.256 4.340 -0.001 0.000 0.204 503 Q C 2.279 178.526 176.000 0.411 0.000 0.982 503 Q CA 1.773 57.810 55.803 0.390 0.000 0.850 503 Q CB -0.261 28.617 28.738 0.233 0.000 0.901 503 Q HN 0.516 nan 8.270 nan 0.000 0.422 504 S N 0.355 116.182 115.700 0.211 0.000 2.355 504 S HA -0.089 4.381 4.470 -0.001 0.000 0.222 504 S C 2.226 176.868 174.600 0.070 0.000 1.031 504 S CA 1.074 59.443 58.200 0.282 0.000 0.993 504 S CB -0.242 63.053 63.200 0.159 0.000 0.859 504 S HN 0.135 nan 8.310 nan 0.000 0.453 505 V N 1.001 120.829 119.914 -0.144 0.000 2.332 505 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 505 V C 2.036 178.119 176.094 -0.019 0.000 1.055 505 V CA 1.938 64.034 62.300 -0.341 0.000 1.038 505 V CB -0.814 30.394 31.823 -1.025 0.000 0.651 505 V HN 0.560 nan 8.190 nan 0.000 0.450 506 Y N 1.361 121.724 120.300 0.106 0.000 2.165 506 Y HA -0.257 4.292 4.550 -0.001 0.000 0.286 506 Y C 2.730 178.697 175.900 0.113 0.000 1.155 506 Y CA 2.232 60.471 58.100 0.232 0.000 1.164 506 Y CB -0.400 38.085 38.460 0.042 0.000 0.978 506 Y HN 0.104 nan 8.280 nan 0.000 0.513 507 R N -0.161 120.230 120.500 -0.181 0.000 2.090 507 R HA -0.080 4.259 4.340 -0.001 0.000 0.228 507 R C 2.156 178.125 176.300 -0.552 0.000 1.110 507 R CA 1.494 57.120 56.100 -0.791 0.000 0.973 507 R CB -0.341 29.488 30.300 -0.785 0.000 0.869 507 R HN 0.457 nan 8.270 nan 0.000 0.440 508 L N 0.254 121.307 121.223 -0.283 0.000 2.291 508 L HA -0.051 4.288 4.340 -0.001 0.000 0.214 508 L C 1.411 178.160 176.870 -0.202 0.000 1.120 508 L CA 0.761 55.402 54.840 -0.331 0.000 0.799 508 L CB 0.140 41.837 42.059 -0.602 0.000 0.925 508 L HN 0.233 nan 8.230 nan 0.000 0.446 509 L N -1.399 119.806 121.223 -0.030 0.000 3.014 509 L HA 0.217 4.556 4.340 -0.001 0.000 0.263 509 L C -0.150 176.805 176.870 0.142 0.000 1.207 509 L CA -0.107 54.808 54.840 0.126 0.000 1.017 509 L CB 0.558 42.836 42.059 0.365 0.000 1.360 509 L HN -0.013 nan 8.230 nan 0.000 0.560 510 T N 0.293 114.859 114.554 0.020 0.000 2.797 510 T HA 0.180 4.529 4.350 -0.001 0.000 0.279 510 T C -0.081 174.557 174.700 -0.103 0.000 0.991 510 T CA -0.538 61.563 62.100 0.001 0.000 0.979 510 T CB 2.273 71.134 68.868 -0.012 0.000 0.943 510 T HN 0.017 nan 8.240 nan 0.000 0.444 511 K N 3.943 124.295 120.400 -0.081 0.000 2.504 511 K HA -0.023 4.297 4.320 -0.001 0.000 0.278 511 K C -1.710 174.861 176.600 -0.049 0.000 1.025 511 K CA -1.039 55.206 56.287 -0.070 0.000 1.093 511 K CB 0.435 32.899 32.500 -0.060 0.000 0.873 511 K HN 0.182 nan 8.250 nan 0.000 0.483 512 P HA -0.185 nan 4.420 nan 0.000 0.216 512 P C 0.764 178.073 177.300 0.015 0.000 1.150 512 P CA 1.396 64.468 63.100 -0.048 0.000 0.837 512 P CB 0.157 31.824 31.700 -0.055 0.000 0.786 513 S N -2.165 113.538 115.700 0.004 0.000 2.607 513 S HA 0.056 4.525 4.470 -0.001 0.000 0.224 513 S C 1.674 176.286 174.600 0.021 0.000 0.969 513 S CA 0.488 58.695 58.200 0.012 0.000 0.927 513 S CB -1.108 62.092 63.200 -0.001 0.000 0.772 513 S HN 0.107 nan 8.310 nan 0.000 0.533 514 I N -0.788 119.803 120.570 0.036 0.000 3.339 514 I HA 0.200 4.370 4.170 -0.001 0.000 0.285 514 I C 0.618 176.786 176.117 0.085 0.000 1.201 514 I CA -0.368 60.962 61.300 0.051 0.000 1.434 514 I CB -0.075 37.955 38.000 0.050 0.000 1.152 514 I HN 0.249 nan 8.210 nan 0.000 0.443 515 Y N 2.803 123.056 120.300 -0.079 0.000 2.802 515 Y HA -0.055 4.495 4.550 -0.001 0.000 0.333 515 Y C 0.444 176.313 175.900 -0.052 0.000 1.244 515 Y CA 0.060 58.066 58.100 -0.157 0.000 1.558 515 Y CB 0.374 38.661 38.460 -0.289 0.000 1.233 515 Y HN -0.115 nan 8.280 nan 0.000 0.547 516 S N 8.779 124.267 115.700 -0.353 0.000 2.293 516 S HA 0.350 4.819 4.470 -0.001 0.000 0.154 516 S C -2.895 171.519 174.600 -0.310 0.000 1.602 516 S CA -1.210 56.800 58.200 -0.317 0.000 1.260 516 S CB -0.018 63.116 63.200 -0.110 0.000 1.270 516 S HN 0.628 nan 8.310 nan 0.000 0.416 517 P HA 0.308 nan 4.420 nan 0.000 0.280 517 P C -1.077 175.972 177.300 -0.419 0.000 1.244 517 P CA -0.175 62.709 63.100 -0.360 0.000 0.784 517 P CB 0.801 32.200 31.700 -0.501 0.000 0.913 518 D N 2.388 122.732 120.400 -0.093 0.000 2.373 518 D HA 0.149 4.788 4.640 -0.001 0.000 0.227 518 D C 0.242 176.573 176.300 0.052 0.000 1.091 518 D CA -0.665 53.258 54.000 -0.129 0.000 0.840 518 D CB 0.189 40.930 40.800 -0.097 0.000 1.060 518 D HN 0.055 nan 8.370 nan 0.000 0.502 519 F N 1.631 121.695 119.950 0.190 0.000 2.699 519 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 519 F C 2.459 178.337 175.800 0.130 0.000 1.154 519 F CA 0.497 58.611 58.000 0.191 0.000 1.457 519 F CB -0.408 38.685 39.000 0.156 0.000 1.106 519 F HN 0.380 nan 8.300 nan 0.000 0.585 520 S N -1.594 114.249 115.700 0.240 0.000 2.535 520 S HA 0.082 4.551 4.470 -0.001 0.000 0.214 520 S C 0.385 175.036 174.600 0.085 0.000 0.980 520 S CA -0.371 57.913 58.200 0.140 0.000 0.907 520 S CB -0.644 62.616 63.200 0.100 0.000 0.790 520 S HN 0.105 nan 8.310 nan 0.000 0.510 521 F N 2.741 122.628 119.950 -0.105 0.000 2.379 521 F HA 0.593 5.120 4.527 -0.001 0.000 0.332 521 F C -0.022 175.567 175.800 -0.351 0.000 1.096 521 F CA -0.708 57.099 58.000 -0.322 0.000 1.105 521 F CB 1.604 40.244 39.000 -0.600 0.000 1.189 521 F HN -0.068 nan 8.300 nan 0.000 0.515 522 S N 5.955 120.970 115.700 -1.141 0.000 2.473 522 S HA 0.145 4.615 4.470 -0.001 0.000 0.312 522 S C 0.430 174.435 174.600 -0.992 0.000 1.087 522 S CA -0.318 57.420 58.200 -0.769 0.000 1.077 522 S CB -0.224 62.652 63.200 -0.541 0.000 1.065 522 S HN 0.683 nan 8.310 nan 0.000 0.510 523 Y N 1.710 121.792 120.300 -0.364 0.000 2.314 523 Y HA 0.122 4.671 4.550 -0.001 0.000 0.293 523 Y C 0.359 175.715 175.900 -0.908 0.000 1.129 523 Y CA 0.792 58.547 58.100 -0.574 0.000 1.201 523 Y CB 0.161 38.334 38.460 -0.478 0.000 0.999 523 Y HN 0.492 nan 8.280 nan 0.000 0.541 524 F N -1.790 118.121 119.950 -0.066 0.000 2.599 524 F HA 0.432 4.958 4.527 -0.001 0.000 0.311 524 F C -0.168 175.662 175.800 0.049 0.000 1.076 524 F CA -1.289 56.734 58.000 0.038 0.000 0.937 524 F CB 1.679 40.838 39.000 0.266 0.000 1.282 524 F HN -0.513 nan 8.300 nan 0.000 0.460 525 T N 3.266 117.976 114.554 0.259 0.000 2.794 525 T HA 0.499 4.848 4.350 -0.001 0.000 0.280 525 T C -0.192 174.608 174.700 0.167 0.000 0.987 525 T CA -0.577 61.614 62.100 0.151 0.000 0.993 525 T CB 0.883 69.794 68.868 0.072 0.000 0.939 525 T HN 0.323 nan 8.240 nan 0.000 0.449 526 L N 2.872 124.124 121.223 0.048 0.000 2.426 526 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 526 L C 0.274 177.118 176.870 -0.042 0.000 1.169 526 L CA -0.128 54.630 54.840 -0.135 0.000 0.836 526 L CB 0.512 42.455 42.059 -0.194 0.000 1.112 526 L HN 0.663 nan 8.230 nan 0.000 0.465 527 D N 1.977 122.330 120.400 -0.079 0.000 2.425 527 D HA 0.189 4.829 4.640 -0.001 0.000 0.240 527 D C -1.151 175.067 176.300 -0.138 0.000 1.080 527 D CA -0.385 53.574 54.000 -0.068 0.000 0.836 527 D CB 1.026 41.818 40.800 -0.014 0.000 1.125 527 D HN 0.276 nan 8.370 nan 0.000 0.525 528 D N 2.468 122.818 120.400 -0.083 0.000 2.481 528 D HA 0.188 4.827 4.640 -0.001 0.000 0.246 528 D C 0.151 176.397 176.300 -0.089 0.000 1.109 528 D CA -0.434 53.542 54.000 -0.041 0.000 0.845 528 D CB 1.846 42.730 40.800 0.140 0.000 1.160 528 D HN 0.235 nan 8.370 nan 0.000 0.534 529 S N 2.651 118.268 115.700 -0.138 0.000 2.489 529 S HA 0.018 4.487 4.470 -0.001 0.000 0.228 529 S C 1.340 175.899 174.600 -0.067 0.000 0.995 529 S CA 0.596 58.705 58.200 -0.151 0.000 0.934 529 S CB 0.351 63.446 63.200 -0.174 0.000 0.771 529 S HN 0.492 nan 8.310 nan 0.000 0.522 530 R N -0.670 119.825 120.500 -0.008 0.000 2.572 530 R HA 0.222 4.561 4.340 -0.001 0.000 0.370 530 R C -0.727 175.658 176.300 0.142 0.000 1.005 530 R CA -0.116 56.006 56.100 0.037 0.000 1.146 530 R CB 0.803 31.119 30.300 0.027 0.000 1.390 530 R HN 0.325 nan 8.270 nan 0.000 0.553 531 W N 1.304 122.558 121.300 -0.077 0.000 3.405 531 W HA 0.282 4.942 4.660 -0.001 0.000 0.329 531 W C -2.891 173.586 176.519 -0.071 0.000 1.142 531 W CA -1.965 55.321 57.345 -0.098 0.000 1.235 531 W CB 1.792 31.174 29.460 -0.130 0.000 1.341 531 W HN -0.188 nan 8.180 nan 0.000 0.481 532 P HA 0.083 nan 4.420 nan 0.000 0.225 532 P C 0.392 177.342 177.300 -0.582 0.000 1.148 532 P CA 1.839 64.074 63.100 -1.442 0.000 0.779 532 P CB 0.302 31.372 31.700 -1.050 0.000 0.780 533 G N -1.197 107.426 108.800 -0.295 0.000 2.587 533 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.686 533 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.686 533 G C -0.500 174.353 174.900 -0.078 0.000 1.236 533 G CA -0.486 44.536 45.100 -0.130 0.000 0.820 533 G HN 0.090 nan 8.290 nan 0.000 0.645 534 S N 0.137 115.834 115.700 -0.005 0.000 2.544 534 S HA 0.507 4.976 4.470 -0.001 0.000 0.290 534 S C 1.858 176.485 174.600 0.045 0.000 1.276 534 S CA 2.049 60.283 58.200 0.057 0.000 1.075 534 S CB 0.172 63.446 63.200 0.123 0.000 0.849 534 S HN 2.710 nan 8.310 nan 0.000 0.494 535 G N 2.840 111.671 108.800 0.051 0.000 2.199 535 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.254 535 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.254 535 G C 0.603 175.501 174.900 -0.003 0.000 0.982 535 G CA 0.369 45.496 45.100 0.046 0.000 0.632 535 G HN 0.885 nan 8.290 nan 0.000 0.529 536 V N -0.453 119.435 119.914 -0.044 0.000 2.627 536 V HA 0.442 4.562 4.120 -0.001 0.000 0.239 536 V C 0.837 176.873 176.094 -0.097 0.000 1.077 536 V CA 1.732 63.983 62.300 -0.082 0.000 1.103 536 V CB 0.852 32.591 31.823 -0.140 0.000 0.802 536 V HN 0.469 nan 8.190 nan 0.000 0.482 537 E N 0.092 120.224 120.200 -0.113 0.000 2.304 537 E HA 0.201 4.551 4.350 -0.001 0.000 0.277 537 E C -1.762 174.803 176.600 -0.059 0.000 0.898 537 E CA -0.549 55.792 56.400 -0.098 0.000 0.764 537 E CB 1.888 31.498 29.700 -0.151 0.000 1.216 537 E HN 0.148 nan 8.360 nan 0.000 0.419 538 D N 2.401 122.786 120.400 -0.025 0.000 2.483 538 D HA 0.094 4.733 4.640 -0.001 0.000 0.220 538 D C 0.424 176.726 176.300 0.003 0.000 1.173 538 D CA 0.261 54.267 54.000 0.010 0.000 0.964 538 D CB 0.539 41.349 40.800 0.017 0.000 1.046 538 D HN 0.404 nan 8.370 nan 0.000 0.517 539 S N 2.499 118.194 115.700 -0.008 0.000 2.575 539 S HA 0.090 4.559 4.470 -0.001 0.000 0.230 539 S C 0.881 175.480 174.600 -0.001 0.000 1.062 539 S CA -0.519 57.670 58.200 -0.018 0.000 0.913 539 S CB 0.324 63.491 63.200 -0.054 0.000 0.837 539 S HN 0.391 nan 8.310 nan 0.000 0.487 540 R N 2.485 122.983 120.500 -0.004 0.000 2.490 540 R HA 0.450 4.790 4.340 -0.001 0.000 0.278 540 R C -0.266 176.070 176.300 0.059 0.000 1.069 540 R CA -0.075 56.012 56.100 -0.022 0.000 1.080 540 R CB -0.259 29.930 30.300 -0.184 0.000 1.030 540 R HN 0.249 nan 8.270 nan 0.000 0.491 541 T N -0.722 113.871 114.554 0.066 0.000 2.856 541 T HA 0.160 4.510 4.350 -0.001 0.000 0.292 541 T C 0.155 174.956 174.700 0.168 0.000 0.980 541 T CA -0.675 61.486 62.100 0.103 0.000 1.091 541 T CB 1.257 70.175 68.868 0.083 0.000 0.936 541 T HN 0.501 nan 8.240 nan 0.000 0.503 542 T N 4.089 118.752 114.554 0.181 0.000 2.832 542 T HA 0.327 4.676 4.350 -0.001 0.000 0.296 542 T C 0.601 175.404 174.700 0.172 0.000 0.968 542 T CA -0.467 61.762 62.100 0.215 0.000 1.107 542 T CB 0.096 69.052 68.868 0.148 0.000 0.916 542 T HN 0.573 nan 8.240 nan 0.000 0.517 543 I N 4.077 124.768 120.570 0.201 0.000 2.421 543 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 543 I C 0.229 176.430 176.117 0.139 0.000 1.089 543 I CA 0.025 61.422 61.300 0.162 0.000 1.354 543 I CB 0.135 38.233 38.000 0.162 0.000 1.413 543 I HN 0.450 nan 8.210 nan 0.000 0.513 544 I N 8.087 128.725 120.570 0.113 0.000 2.297 544 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 544 I C -0.168 176.007 176.117 0.097 0.000 1.033 544 I CA -0.199 61.159 61.300 0.097 0.000 1.253 544 I CB 0.510 38.555 38.000 0.075 0.000 1.396 544 I HN 0.395 nan 8.210 nan 0.000 0.476 545 L N 5.735 127.019 121.223 0.101 0.000 2.323 545 L HA 0.964 5.303 4.340 -0.001 0.000 0.265 545 L C 0.127 177.052 176.870 0.091 0.000 1.012 545 L CA -0.701 54.198 54.840 0.099 0.000 0.820 545 L CB 2.222 44.345 42.059 0.107 0.000 1.334 545 L HN 0.698 nan 8.230 nan 0.000 0.427 546 G N 0.121 108.971 108.800 0.084 0.000 2.404 546 G HA2 0.161 4.121 3.960 -0.001 0.000 0.298 546 G HA3 0.161 4.121 3.960 -0.001 0.000 0.298 546 G C -0.312 174.628 174.900 0.068 0.000 1.577 546 G CA -0.543 44.603 45.100 0.077 0.000 0.847 546 G HN 0.654 nan 8.290 nan 0.000 0.598 547 E N -0.153 120.085 120.200 0.063 0.000 2.118 547 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 547 E C 0.772 177.399 176.600 0.046 0.000 0.992 547 E CA 1.322 57.753 56.400 0.052 0.000 0.804 547 E CB 0.223 29.950 29.700 0.046 0.000 0.741 547 E HN 0.468 nan 8.360 nan 0.000 0.458 548 D N -0.628 119.799 120.400 0.045 0.000 2.342 548 D HA 0.137 4.776 4.640 -0.001 0.000 0.221 548 D C 1.162 177.487 176.300 0.040 0.000 1.101 548 D CA 0.212 54.235 54.000 0.038 0.000 0.837 548 D CB 0.825 41.645 40.800 0.034 0.000 0.938 548 D HN 0.221 nan 8.370 nan 0.000 0.508 549 I N -0.973 119.626 120.570 0.048 0.000 4.147 549 I HA 0.120 4.289 4.170 -0.001 0.000 0.278 549 I C -1.353 174.799 176.117 0.059 0.000 1.133 549 I CA 0.026 61.356 61.300 0.050 0.000 1.317 549 I CB 1.230 39.260 38.000 0.050 0.000 1.688 549 I HN -0.182 nan 8.210 nan 0.000 0.432 550 L N 2.095 123.359 121.223 0.068 0.000 2.710 550 L HA 0.487 4.827 4.340 -0.001 0.000 0.262 550 L C -2.515 174.406 176.870 0.085 0.000 0.940 550 L CA -1.017 53.872 54.840 0.081 0.000 0.944 550 L CB 1.769 43.883 42.059 0.092 0.000 1.348 550 L HN -0.142 nan 8.230 nan 0.000 0.425 551 P HA 0.065 nan 4.420 nan 0.000 0.224 551 P C -0.204 177.149 177.300 0.087 0.000 1.157 551 P CA 0.798 63.945 63.100 0.079 0.000 0.799 551 P CB 0.406 32.146 31.700 0.067 0.000 0.809 552 S N -2.149 113.614 115.700 0.105 0.000 2.596 552 S HA 0.721 5.191 4.470 -0.001 0.000 0.270 552 S C -1.290 173.409 174.600 0.165 0.000 1.155 552 S CA -0.732 57.536 58.200 0.112 0.000 0.827 552 S CB 2.476 65.732 63.200 0.093 0.000 1.130 552 S HN -0.119 nan 8.310 nan 0.000 0.467 553 K N 0.689 121.189 120.400 0.166 0.000 2.535 553 K HA 0.414 4.734 4.320 -0.001 0.000 0.251 553 K C -1.631 175.122 176.600 0.255 0.000 0.942 553 K CA -0.288 56.145 56.287 0.243 0.000 0.798 553 K CB 1.099 33.703 32.500 0.174 0.000 1.267 553 K HN 0.866 nan 8.250 nan 0.000 0.434 554 H N 2.221 121.435 119.070 0.240 0.000 2.610 554 H HA 0.404 4.959 4.556 -0.001 0.000 0.336 554 H C -0.094 175.460 175.328 0.376 0.000 1.087 554 H CA -0.388 55.850 56.048 0.317 0.000 1.405 554 H CB 1.253 31.289 29.762 0.457 0.000 1.460 554 H HN 0.457 nan 8.280 nan 0.000 0.538 555 V N 0.900 121.061 119.914 0.411 0.000 2.914 555 V HA 0.655 4.774 4.120 -0.001 0.000 0.314 555 V C -0.497 175.923 176.094 0.543 0.000 1.084 555 V CA -0.823 61.718 62.300 0.401 0.000 0.963 555 V CB 2.003 33.804 31.823 -0.037 0.000 1.025 555 V HN 0.415 nan 8.190 nan 0.000 0.432 556 V N 3.824 124.078 119.914 0.567 0.000 2.709 556 V HA 0.633 4.752 4.120 -0.001 0.000 0.308 556 V C -0.470 175.960 176.094 0.561 0.000 1.062 556 V CA -0.376 62.221 62.300 0.495 0.000 0.901 556 V CB 1.849 33.816 31.823 0.240 0.000 1.003 556 V HN 0.944 nan 8.190 nan 0.000 0.425 557 M N 4.071 123.972 119.600 0.503 0.000 2.336 557 M HA 0.492 4.972 4.480 -0.001 0.000 0.342 557 M C -0.507 176.043 176.300 0.416 0.000 1.128 557 M CA -0.261 55.305 55.300 0.444 0.000 1.016 557 M CB 1.195 34.006 32.600 0.352 0.000 1.665 557 M HN 0.754 nan 8.290 nan 0.000 0.445 558 H N 2.043 121.308 119.070 0.326 0.000 2.469 558 H HA 0.480 5.036 4.556 -0.001 0.000 0.342 558 H C -1.369 174.073 175.328 0.190 0.000 1.115 558 H CA -0.566 55.640 56.048 0.263 0.000 1.204 558 H CB 1.194 31.165 29.762 0.350 0.000 1.492 558 H HN 0.649 nan 8.280 nan 0.000 0.499 559 N N 3.110 121.549 118.700 -0.434 0.000 2.569 559 N HA 0.040 4.780 4.740 -0.001 0.000 0.254 559 N C 0.321 175.500 175.510 -0.552 0.000 1.004 559 N CA -0.301 52.521 53.050 -0.379 0.000 0.904 559 N CB 1.590 39.965 38.487 -0.187 0.000 1.165 559 N HN 0.635 nan 8.380 nan 0.000 0.513 560 T N 2.879 117.173 114.554 -0.433 0.000 3.035 560 T HA 0.170 4.519 4.350 -0.001 0.000 0.268 560 T C 0.681 175.352 174.700 -0.049 0.000 1.109 560 T CA 0.496 62.506 62.100 -0.149 0.000 1.119 560 T CB -0.230 68.694 68.868 0.094 0.000 0.900 560 T HN 0.416 nan 8.240 nan 0.000 0.503 561 L N 2.777 123.918 121.223 -0.137 0.000 2.395 561 L HA 0.316 4.655 4.340 -0.001 0.000 0.269 561 L C -1.624 175.105 176.870 -0.235 0.000 1.133 561 L CA -1.958 52.765 54.840 -0.196 0.000 0.812 561 L CB 0.704 42.518 42.059 -0.407 0.000 1.125 561 L HN -0.049 nan 8.230 nan 0.000 0.452 562 P HA 0.050 nan 4.420 nan 0.000 0.235 562 P C -0.962 176.365 177.300 0.044 0.000 1.725 562 P CA 0.329 63.423 63.100 -0.009 0.000 0.894 562 P CB -0.376 31.374 31.700 0.084 0.000 1.704 563 H N -3.198 115.897 119.070 0.041 0.000 3.012 563 H HA 0.243 4.798 4.556 -0.001 0.000 0.367 563 H C -1.039 174.321 175.328 0.053 0.000 1.211 563 H CA -1.092 55.004 56.048 0.079 0.000 1.139 563 H CB 0.021 29.860 29.762 0.129 0.000 1.838 563 H HN -0.132 nan 8.280 nan 0.000 0.550 564 W N 1.756 123.177 121.300 0.202 0.000 2.257 564 W HA 0.209 4.869 4.660 -0.001 0.000 0.337 564 W C 0.890 177.528 176.519 0.198 0.000 1.321 564 W CA 0.436 57.865 57.345 0.141 0.000 1.267 564 W CB 0.418 29.947 29.460 0.116 0.000 1.187 564 W HN 0.496 nan 8.180 nan 0.000 0.565 565 R N 2.430 123.140 120.500 0.349 0.000 2.621 565 R HA 0.295 4.634 4.340 -0.001 0.000 0.284 565 R C -0.984 175.455 176.300 0.233 0.000 0.998 565 R CA -0.654 55.606 56.100 0.268 0.000 0.895 565 R CB 1.373 31.756 30.300 0.139 0.000 1.195 565 R HN 0.487 nan 8.270 nan 0.000 0.450 566 E N 2.574 122.890 120.200 0.192 0.000 2.191 566 E HA 0.247 4.597 4.350 -0.001 0.000 0.274 566 E C -1.198 175.455 176.600 0.088 0.000 0.948 566 E CA -0.775 55.712 56.400 0.146 0.000 0.802 566 E CB 2.392 32.171 29.700 0.133 0.000 1.137 566 E HN 0.403 nan 8.360 nan 0.000 0.397 567 Q N 2.937 122.764 119.800 0.046 0.000 2.386 567 Q HA 0.255 4.594 4.340 -0.001 0.000 0.274 567 Q C -1.503 174.458 176.000 -0.066 0.000 1.011 567 Q CA -0.603 55.197 55.803 -0.005 0.000 0.867 567 Q CB 1.500 30.227 28.738 -0.019 0.000 1.409 567 Q HN 0.552 nan 8.270 nan 0.000 0.395 568 L N 3.231 124.410 121.223 -0.075 0.000 2.453 568 L HA 0.341 4.680 4.340 -0.001 0.000 0.272 568 L C 0.199 176.933 176.870 -0.226 0.000 1.182 568 L CA -0.302 54.454 54.840 -0.140 0.000 0.858 568 L CB 0.609 42.623 42.059 -0.076 0.000 1.120 568 L HN 0.477 nan 8.230 nan 0.000 0.474 569 V N -0.650 119.024 119.914 -0.400 0.000 2.914 569 V HA 0.762 4.881 4.120 -0.001 0.000 0.314 569 V C -1.108 174.705 176.094 -0.469 0.000 1.084 569 V CA -0.912 61.105 62.300 -0.471 0.000 0.963 569 V CB 2.142 33.634 31.823 -0.553 0.000 1.025 569 V HN 0.791 nan 8.190 nan 0.000 0.432 570 D N 1.284 121.404 120.400 -0.468 0.000 2.671 570 D HA 0.749 5.389 4.640 -0.001 0.000 0.232 570 D C -1.158 174.828 176.300 -0.524 0.000 1.114 570 D CA -0.498 53.335 54.000 -0.277 0.000 0.858 570 D CB 1.965 42.706 40.800 -0.099 0.000 1.544 570 D HN 0.442 nan 8.370 nan 0.000 0.471 571 F N -0.190 119.804 119.950 0.073 0.000 2.599 571 F HA 0.394 4.920 4.527 -0.001 0.000 0.311 571 F C -0.675 175.263 175.800 0.229 0.000 1.076 571 F CA -1.110 56.945 58.000 0.091 0.000 0.937 571 F CB 1.568 40.670 39.000 0.170 0.000 1.282 571 F HN 0.160 nan 8.300 nan 0.000 0.460 572 Y N 2.187 122.640 120.300 0.254 0.000 2.335 572 Y HA 0.548 5.098 4.550 -0.001 0.000 0.331 572 Y C 0.214 176.232 175.900 0.197 0.000 1.094 572 Y CA -1.441 56.761 58.100 0.170 0.000 1.253 572 Y CB 0.831 39.345 38.460 0.089 0.000 1.203 572 Y HN 0.340 nan 8.280 nan 0.000 0.508 573 V N -0.410 119.704 119.914 0.333 0.000 3.040 573 V HA 0.571 4.691 4.120 -0.001 0.000 0.312 573 V C 0.352 176.579 176.094 0.222 0.000 1.115 573 V CA -0.736 61.718 62.300 0.257 0.000 0.998 573 V CB 1.717 33.690 31.823 0.249 0.000 1.042 573 V HN 0.663 nan 8.190 nan 0.000 0.433 574 S N 0.173 115.982 115.700 0.182 0.000 2.593 574 S HA 0.251 4.721 4.470 -0.001 0.000 0.217 574 S C 0.689 175.422 174.600 0.222 0.000 0.966 574 S CA 0.487 58.782 58.200 0.157 0.000 0.914 574 S CB -0.196 63.067 63.200 0.106 0.000 0.776 574 S HN 1.422 nan 8.310 nan 0.000 0.523 575 S N 1.246 117.077 115.700 0.219 0.000 2.546 575 S HA 0.588 5.057 4.470 -0.001 0.000 0.274 575 S C -2.586 171.930 174.600 -0.140 0.000 1.121 575 S CA -1.432 56.794 58.200 0.045 0.000 0.887 575 S CB 1.951 65.175 63.200 0.039 0.000 1.094 575 S HN 0.013 nan 8.310 nan 0.000 0.474 576 P HA 0.172 nan 4.420 nan 0.000 0.236 576 P C -0.045 177.132 177.300 -0.205 0.000 1.177 576 P CA 0.429 63.172 63.100 -0.595 0.000 0.773 576 P CB -0.185 30.875 31.700 -1.067 0.000 0.878 577 F N 0.776 120.743 119.950 0.029 0.000 2.509 577 F HA 0.263 4.789 4.527 -0.001 0.000 0.344 577 F C 0.312 176.156 175.800 0.073 0.000 1.197 577 F CA -0.849 57.194 58.000 0.073 0.000 1.294 577 F CB 0.333 39.343 39.000 0.017 0.000 1.643 577 F HN -0.345 nan 8.300 nan 0.000 0.596 578 V N 1.036 121.083 119.914 0.221 0.000 2.656 578 V HA 0.513 4.633 4.120 -0.001 0.000 0.307 578 V C -0.273 175.884 176.094 0.106 0.000 1.051 578 V CA -0.785 61.602 62.300 0.144 0.000 0.893 578 V CB 2.214 34.114 31.823 0.128 0.000 0.999 578 V HN 0.507 nan 8.190 nan 0.000 0.426 579 S N 3.204 118.947 115.700 0.072 0.000 2.600 579 S HA 0.893 5.362 4.470 -0.001 0.000 0.300 579 S C -0.931 173.648 174.600 -0.035 0.000 1.087 579 S CA -0.802 57.419 58.200 0.035 0.000 0.965 579 S CB 2.103 65.340 63.200 0.062 0.000 1.089 579 S HN 0.443 nan 8.310 nan 0.000 0.496 580 V N 1.854 121.708 119.914 -0.100 0.000 2.555 580 V HA 0.790 4.910 4.120 -0.001 0.000 0.302 580 V C 0.035 176.032 176.094 -0.160 0.000 1.038 580 V CA -0.471 61.687 62.300 -0.236 0.000 0.887 580 V CB 1.563 33.045 31.823 -0.567 0.000 0.991 580 V HN 1.200 nan 8.190 nan 0.000 0.434 581 T N -0.481 113.999 114.554 -0.123 0.000 2.906 581 T HA 0.639 4.988 4.350 -0.001 0.000 0.295 581 T C -0.759 173.922 174.700 -0.032 0.000 1.061 581 T CA -0.913 61.141 62.100 -0.077 0.000 1.000 581 T CB 2.016 70.831 68.868 -0.088 0.000 1.103 581 T HN 0.717 nan 8.240 nan 0.000 0.486 582 D N 0.871 121.229 120.400 -0.070 0.000 2.447 582 D HA 0.173 4.812 4.640 -0.001 0.000 0.265 582 D C 0.924 177.091 176.300 -0.221 0.000 1.250 582 D CA -1.101 52.739 54.000 -0.266 0.000 1.046 582 D CB 0.304 40.934 40.800 -0.284 0.000 1.095 582 D HN 0.323 nan 8.370 nan 0.000 0.555 583 L N -0.644 120.431 121.223 -0.246 0.000 2.599 583 L HA 0.258 4.598 4.340 -0.001 0.000 0.230 583 L C 1.834 178.628 176.870 -0.126 0.000 1.141 583 L CA 0.687 55.424 54.840 -0.172 0.000 0.877 583 L CB -0.826 41.139 42.059 -0.157 0.000 1.009 583 L HN 0.630 nan 8.230 nan 0.000 0.447 584 A N -1.231 121.518 122.820 -0.119 0.000 2.278 584 A HA 0.092 4.411 4.320 -0.001 0.000 0.212 584 A C 1.148 178.685 177.584 -0.078 0.000 1.213 584 A CA 0.156 52.140 52.037 -0.087 0.000 0.840 584 A CB -0.440 18.514 19.000 -0.077 0.000 0.866 584 A HN 0.507 nan 8.150 nan 0.000 0.489 585 N N -0.013 118.634 118.700 -0.089 0.000 2.800 585 N HA -0.129 4.610 4.740 -0.001 0.000 0.250 585 N C -1.048 174.418 175.510 -0.075 0.000 1.078 585 N CA 0.690 53.694 53.050 -0.076 0.000 0.804 585 N CB -1.301 37.152 38.487 -0.057 0.000 1.135 585 N HN 0.611 nan 8.380 nan 0.000 0.565 586 N N 1.968 120.620 118.700 -0.081 0.000 2.470 586 N HA 0.195 4.935 4.740 -0.001 0.000 0.268 586 N C -2.296 173.146 175.510 -0.114 0.000 1.136 586 N CA -0.556 52.442 53.050 -0.087 0.000 0.961 586 N CB 0.553 38.998 38.487 -0.069 0.000 1.067 586 N HN 0.216 nan 8.380 nan 0.000 0.468 587 P HA 0.011 nan 4.420 nan 0.000 0.267 587 P C -0.382 176.780 177.300 -0.229 0.000 1.200 587 P CA -0.009 62.916 63.100 -0.292 0.000 0.772 587 P CB 0.773 32.038 31.700 -0.725 0.000 0.855 588 V N 2.495 122.319 119.914 -0.150 0.000 2.487 588 V HA 0.211 4.330 4.120 -0.001 0.000 0.298 588 V C 0.539 176.621 176.094 -0.021 0.000 1.028 588 V CA -0.836 61.433 62.300 -0.051 0.000 0.860 588 V CB 1.464 33.276 31.823 -0.019 0.000 0.991 588 V HN 0.564 nan 8.190 nan 0.000 0.427 589 E N 2.885 123.113 120.200 0.046 0.000 2.415 589 E HA 0.461 4.811 4.350 -0.001 0.000 0.263 589 E C -0.250 176.417 176.600 0.112 0.000 0.995 589 E CA 0.065 56.524 56.400 0.098 0.000 0.915 589 E CB 0.902 30.665 29.700 0.105 0.000 0.951 589 E HN 0.877 nan 8.360 nan 0.000 0.449 590 A N 4.326 127.201 122.820 0.093 0.000 2.515 590 A HA 0.412 4.732 4.320 -0.001 0.000 0.296 590 A C -1.263 176.341 177.584 0.033 0.000 1.094 590 A CA -0.706 51.397 52.037 0.109 0.000 0.718 590 A CB 1.942 20.998 19.000 0.094 0.000 1.307 590 A HN 0.667 nan 8.150 nan 0.000 0.408 591 Q N 0.906 120.735 119.800 0.049 0.000 2.356 591 Q HA 0.649 4.989 4.340 -0.001 0.000 0.270 591 Q C -1.957 174.045 176.000 0.004 0.000 1.058 591 Q CA -0.557 55.236 55.803 -0.017 0.000 0.802 591 Q CB 2.127 30.891 28.738 0.043 0.000 1.303 591 Q HN 0.569 nan 8.270 nan 0.000 0.444 592 V N 2.658 122.510 119.914 -0.102 0.000 2.435 592 V HA 0.565 4.685 4.120 -0.001 0.000 0.290 592 V C -0.500 175.784 176.094 0.315 0.000 1.030 592 V CA -0.315 62.039 62.300 0.090 0.000 0.881 592 V CB 1.773 33.621 31.823 0.042 0.000 0.983 592 V HN 0.839 nan 8.190 nan 0.000 0.445 593 S N 5.097 121.001 115.700 0.339 0.000 2.599 593 S HA 0.686 5.156 4.470 -0.001 0.000 0.287 593 S C -2.773 171.885 174.600 0.097 0.000 1.105 593 S CA -1.171 57.205 58.200 0.293 0.000 0.899 593 S CB 2.430 65.759 63.200 0.214 0.000 1.100 593 S HN 0.535 nan 8.310 nan 0.000 0.482 594 P HA 0.239 nan 4.420 nan 0.000 0.272 594 P C -1.141 175.830 177.300 -0.547 0.000 1.240 594 P CA -0.492 62.226 63.100 -0.637 0.000 0.791 594 P CB 0.362 31.286 31.700 -1.294 0.000 0.978 595 V N 1.741 121.261 119.914 -0.657 0.000 2.348 595 V HA 0.190 4.310 4.120 -0.001 0.000 0.270 595 V C -0.503 175.270 176.094 -0.534 0.000 1.037 595 V CA -0.167 61.829 62.300 -0.507 0.000 0.872 595 V CB -0.363 31.074 31.823 -0.644 0.000 1.002 595 V HN 0.519 nan 8.190 nan 0.000 0.464 596 W N 2.924 124.140 121.300 -0.140 0.000 2.478 596 W HA 0.626 5.285 4.660 -0.001 0.000 0.318 596 W C 0.284 176.741 176.519 -0.103 0.000 1.062 596 W CA -0.338 56.910 57.345 -0.162 0.000 1.210 596 W CB 1.767 31.141 29.460 -0.145 0.000 1.325 596 W HN 0.401 nan 8.180 nan 0.000 0.496 597 S N 1.983 117.740 115.700 0.096 0.000 2.502 597 S HA 0.394 4.864 4.470 -0.001 0.000 0.304 597 S C -1.434 173.170 174.600 0.006 0.000 1.097 597 S CA -0.760 57.493 58.200 0.088 0.000 1.045 597 S CB 0.872 64.086 63.200 0.023 0.000 1.019 597 S HN 0.338 nan 8.310 nan 0.000 0.481 598 W N 2.786 124.120 121.300 0.056 0.000 2.365 598 W HA 0.422 5.081 4.660 -0.001 0.000 0.316 598 W C 0.612 177.148 176.519 0.029 0.000 1.164 598 W CA -0.279 57.077 57.345 0.017 0.000 1.204 598 W CB 0.532 29.985 29.460 -0.013 0.000 1.213 598 W HN 0.611 nan 8.180 nan 0.000 0.539 599 H N 3.050 122.128 119.070 0.013 0.000 2.609 599 H HA 0.121 4.677 4.556 -0.001 0.000 0.344 599 H C -0.943 174.356 175.328 -0.049 0.000 1.040 599 H CA -0.759 55.245 56.048 -0.072 0.000 1.216 599 H CB 1.267 30.889 29.762 -0.234 0.000 1.529 599 H HN 0.384 nan 8.280 nan 0.000 0.519 600 H N 4.799 123.599 119.070 -0.451 0.000 2.911 600 H HA 0.024 4.579 4.556 -0.001 0.000 0.273 600 H C -0.659 174.272 175.328 -0.662 0.000 1.157 600 H CA -0.148 55.679 56.048 -0.368 0.000 1.402 600 H CB 0.087 29.733 29.762 -0.194 0.000 1.463 600 H HN 0.626 nan 8.280 nan 0.000 0.475 601 D N 3.676 123.912 120.400 -0.273 0.000 2.344 601 D HA -0.003 4.636 4.640 -0.001 0.000 0.253 601 D C 0.708 177.066 176.300 0.097 0.000 1.255 601 D CA -0.038 53.908 54.000 -0.089 0.000 0.894 601 D CB 0.757 41.724 40.800 0.278 0.000 1.067 601 D HN 0.540 nan 8.370 nan 0.000 0.492 602 T N 3.568 118.160 114.554 0.063 0.000 3.007 602 T HA -0.075 4.274 4.350 -0.001 0.000 0.270 602 T C 1.802 176.548 174.700 0.076 0.000 1.107 602 T CA 0.139 62.278 62.100 0.065 0.000 1.118 602 T CB 0.520 69.396 68.868 0.014 0.000 0.889 602 T HN 0.339 nan 8.240 nan 0.000 0.506 603 L N 1.745 123.026 121.223 0.098 0.000 2.130 603 L HA 0.051 4.391 4.340 -0.001 0.000 0.200 603 L C 2.940 179.855 176.870 0.075 0.000 1.075 603 L CA 1.981 56.870 54.840 0.082 0.000 0.768 603 L CB -1.681 40.431 42.059 0.088 0.000 0.933 603 L HN 0.435 nan 8.230 nan 0.000 0.451 604 T N -3.913 110.698 114.554 0.095 0.000 3.081 604 T HA -0.017 4.333 4.350 -0.001 0.000 0.255 604 T C 0.773 175.514 174.700 0.069 0.000 1.113 604 T CA -0.132 62.011 62.100 0.071 0.000 1.082 604 T CB 0.097 69.002 68.868 0.062 0.000 0.939 604 T HN 0.112 nan 8.240 nan 0.000 0.506 605 K N 2.060 122.514 120.400 0.090 0.000 3.125 605 K HA -0.124 4.196 4.320 -0.001 0.000 0.268 605 K C 0.083 176.708 176.600 0.042 0.000 1.078 605 K CA 1.249 57.588 56.287 0.087 0.000 0.775 605 K CB -2.909 29.633 32.500 0.070 0.000 1.253 605 K HN 0.880 nan 8.250 nan 0.000 0.486 606 T N -2.753 111.830 114.554 0.048 0.000 2.906 606 T HA 0.806 5.156 4.350 -0.001 0.000 0.295 606 T C 0.232 174.935 174.700 0.006 0.000 1.075 606 T CA -1.057 61.068 62.100 0.041 0.000 1.005 606 T CB 2.264 71.202 68.868 0.117 0.000 1.136 606 T HN 0.146 nan 8.240 nan 0.000 0.498 607 I N 3.961 124.527 120.570 -0.006 0.000 2.355 607 I HA 0.451 4.621 4.170 -0.001 0.000 0.288 607 I C 0.065 176.367 176.117 0.307 0.000 0.999 607 I CA -0.741 60.568 61.300 0.015 0.000 1.163 607 I CB 0.690 38.644 38.000 -0.078 0.000 1.316 607 I HN 0.788 nan 8.210 nan 0.000 0.454 608 H N 6.187 125.374 119.070 0.194 0.000 3.016 608 H HA 0.575 5.131 4.556 -0.001 0.000 0.362 608 H C -3.306 171.813 175.328 -0.348 0.000 1.233 608 H CA -2.597 53.432 56.048 -0.031 0.000 1.124 608 H CB 2.123 31.869 29.762 -0.028 0.000 1.850 608 H HN 0.156 nan 8.280 nan 0.000 0.549 609 P HA 0.258 nan 4.420 nan 0.000 0.288 609 P C -0.873 176.335 177.300 -0.153 0.000 1.267 609 P CA -0.546 62.024 63.100 -0.883 0.000 0.815 609 P CB 1.949 32.771 31.700 -1.463 0.000 0.989 610 Q N 0.630 120.415 119.800 -0.025 0.000 2.337 610 Q HA 0.633 4.972 4.340 -0.001 0.000 0.266 610 Q C 0.141 176.183 176.000 0.069 0.000 1.023 610 Q CA -0.829 55.022 55.803 0.079 0.000 0.829 610 Q CB 2.365 31.078 28.738 -0.041 0.000 1.306 610 Q HN 0.535 nan 8.270 nan 0.000 0.449 611 G N 0.653 109.388 108.800 -0.110 0.000 2.389 611 G HA2 0.342 4.302 3.960 -0.001 0.000 0.328 611 G HA3 0.342 4.302 3.960 -0.001 0.000 0.328 611 G C -0.576 174.042 174.900 -0.470 0.000 1.133 611 G CA -0.376 44.331 45.100 -0.655 0.000 0.891 611 G HN 0.424 nan 8.290 nan 0.000 0.485 612 S N -0.576 114.787 115.700 -0.563 0.000 2.565 612 S HA 0.340 4.809 4.470 -0.001 0.000 0.276 612 S C 1.553 175.864 174.600 -0.481 0.000 1.326 612 S CA 0.237 58.148 58.200 -0.481 0.000 1.045 612 S CB 0.795 63.656 63.200 -0.564 0.000 0.918 612 S HN 0.912 nan 8.310 nan 0.000 0.505 613 T N -0.165 114.193 114.554 -0.327 0.000 3.092 613 T HA 0.172 4.522 4.350 -0.001 0.000 0.258 613 T C 0.967 175.564 174.700 -0.171 0.000 1.031 613 T CA 0.451 62.433 62.100 -0.196 0.000 0.925 613 T CB -0.197 68.615 68.868 -0.093 0.000 1.036 613 T HN 0.691 nan 8.240 nan 0.000 0.544 614 T N -2.486 111.862 114.554 -0.343 0.000 3.080 614 T HA 0.386 4.736 4.350 -0.001 0.000 0.280 614 T C -0.020 174.467 174.700 -0.354 0.000 0.926 614 T CA -0.527 61.443 62.100 -0.217 0.000 0.883 614 T CB 0.306 69.100 68.868 -0.123 0.000 1.194 614 T HN 0.334 nan 8.240 nan 0.000 0.541 615 K N 0.295 120.235 120.400 -0.766 0.000 2.427 615 K HA 0.650 4.969 4.320 -0.001 0.000 0.252 615 K C -2.027 173.920 176.600 -1.089 0.000 0.931 615 K CA -0.813 55.083 56.287 -0.651 0.000 0.793 615 K CB 1.843 34.040 32.500 -0.505 0.000 1.211 615 K HN 0.181 nan 8.250 nan 0.000 0.426 616 Y N 0.639 120.853 120.300 -0.143 0.000 2.581 616 Y HA 0.469 5.018 4.550 -0.001 0.000 0.345 616 Y C -0.306 175.614 175.900 0.033 0.000 1.036 616 Y CA -1.124 56.926 58.100 -0.082 0.000 1.042 616 Y CB 1.932 40.409 38.460 0.028 0.000 1.289 616 Y HN 0.306 nan 8.280 nan 0.000 0.471 617 R N 1.850 122.492 120.500 0.236 0.000 2.294 617 R HA 0.569 4.908 4.340 -0.001 0.000 0.319 617 R C -1.242 175.231 176.300 0.289 0.000 0.984 617 R CA -0.637 55.645 56.100 0.303 0.000 0.861 617 R CB 1.642 32.095 30.300 0.255 0.000 1.104 617 R HN 0.635 nan 8.270 nan 0.000 0.451 618 I N 4.179 124.938 120.570 0.316 0.000 2.377 618 I HA 0.420 4.590 4.170 -0.001 0.000 0.293 618 I C -1.042 175.259 176.117 0.307 0.000 0.987 618 I CA -0.770 60.707 61.300 0.294 0.000 1.185 618 I CB 1.031 39.217 38.000 0.310 0.000 1.341 618 I HN 0.538 nan 8.210 nan 0.000 0.455 619 I N 8.164 128.883 120.570 0.248 0.000 2.498 619 I HA 0.521 4.691 4.170 -0.001 0.000 0.290 619 I C -0.967 175.295 176.117 0.242 0.000 1.032 619 I CA -0.500 60.891 61.300 0.152 0.000 1.073 619 I CB 1.690 39.743 38.000 0.088 0.000 1.251 619 I HN 0.520 nan 8.210 nan 0.000 0.426 620 F N 2.719 122.690 119.950 0.035 0.000 2.711 620 F HA 0.579 5.105 4.527 -0.001 0.000 0.313 620 F C -1.079 174.701 175.800 -0.032 0.000 1.141 620 F CA -1.292 56.706 58.000 -0.003 0.000 0.941 620 F CB 1.333 40.316 39.000 -0.027 0.000 1.349 620 F HN 0.209 nan 8.300 nan 0.000 0.464 621 K N 1.924 122.410 120.400 0.144 0.000 2.285 621 K HA 0.740 5.060 4.320 -0.001 0.000 0.286 621 K C -0.729 175.920 176.600 0.082 0.000 1.072 621 K CA -0.392 55.922 56.287 0.045 0.000 0.913 621 K CB 0.936 33.494 32.500 0.097 0.000 1.067 621 K HN 0.936 nan 8.250 nan 0.000 0.479 622 A N 4.682 127.462 122.820 -0.065 0.000 2.309 622 A HA 0.397 4.716 4.320 -0.001 0.000 0.298 622 A C -0.637 177.083 177.584 0.227 0.000 1.165 622 A CA -0.682 51.386 52.037 0.053 0.000 0.821 622 A CB 0.645 19.631 19.000 -0.023 0.000 1.102 622 A HN 0.882 nan 8.150 nan 0.000 0.500 623 R N 2.159 122.904 120.500 0.407 0.000 2.393 623 R HA 0.603 4.943 4.340 -0.001 0.000 0.315 623 R C -1.848 174.712 176.300 0.434 0.000 0.952 623 R CA -0.238 56.091 56.100 0.382 0.000 0.842 623 R CB 1.285 31.794 30.300 0.347 0.000 1.163 623 R HN 0.502 nan 8.270 nan 0.000 0.450 624 V N 6.098 126.222 119.914 0.350 0.000 2.656 624 V HA 0.462 4.581 4.120 -0.001 0.000 0.307 624 V C -2.264 173.730 176.094 -0.166 0.000 1.051 624 V CA -2.347 60.050 62.300 0.161 0.000 0.893 624 V CB 1.902 33.793 31.823 0.114 0.000 0.999 624 V HN 0.783 nan 8.190 nan 0.000 0.426 625 P HA 0.215 nan 4.420 nan 0.000 0.271 625 P C -2.747 174.068 177.300 -0.808 0.000 1.233 625 P CA -1.380 60.836 63.100 -1.473 0.000 0.789 625 P CB -0.282 30.750 31.700 -1.115 0.000 0.951 626 P HA 0.072 nan 4.420 nan 0.000 0.263 626 P C 0.106 177.364 177.300 -0.071 0.000 1.195 626 P CA 0.643 63.551 63.100 -0.320 0.000 0.762 626 P CB -0.277 31.308 31.700 -0.192 0.000 0.799 627 M N 0.429 120.023 119.600 -0.009 0.000 2.253 627 M HA -0.211 4.268 4.480 -0.001 0.000 0.199 627 M C 0.566 177.060 176.300 0.324 0.000 0.342 627 M CA 1.004 56.436 55.300 0.220 0.000 0.417 627 M CB -2.063 30.754 32.600 0.361 0.000 1.338 627 M HN 0.581 nan 8.290 nan 0.000 0.920 628 G N -0.197 108.651 108.800 0.080 0.000 3.022 628 G HA2 0.935 4.895 3.960 -0.001 0.000 0.284 628 G HA3 0.935 4.895 3.960 -0.001 0.000 0.284 628 G C -1.364 173.657 174.900 0.202 0.000 1.375 628 G CA -0.979 44.143 45.100 0.036 0.000 0.902 628 G HN 0.176 nan 8.290 nan 0.000 0.538 629 L N -0.432 120.898 121.223 0.179 0.000 2.388 629 L HA 0.796 5.135 4.340 -0.001 0.000 0.264 629 L C -0.231 176.728 176.870 0.148 0.000 0.998 629 L CA -1.025 53.946 54.840 0.219 0.000 0.817 629 L CB 2.474 44.668 42.059 0.225 0.000 1.338 629 L HN 0.756 nan 8.230 nan 0.000 0.414 630 A N 0.894 123.840 122.820 0.210 0.000 2.398 630 A HA 0.805 5.125 4.320 -0.001 0.000 0.301 630 A C -0.760 176.967 177.584 0.238 0.000 1.041 630 A CA -0.450 51.695 52.037 0.181 0.000 0.711 630 A CB 1.691 20.842 19.000 0.251 0.000 1.240 630 A HN 0.559 nan 8.150 nan 0.000 0.420 631 T N 2.139 116.735 114.554 0.071 0.000 2.829 631 T HA 0.646 4.995 4.350 -0.001 0.000 0.282 631 T C -1.034 173.595 174.700 -0.117 0.000 0.990 631 T CA 0.241 62.430 62.100 0.149 0.000 1.028 631 T CB 0.356 69.313 68.868 0.148 0.000 0.951 631 T HN 0.443 nan 8.240 nan 0.000 0.460 632 Y N 0.309 120.693 120.300 0.139 0.000 2.605 632 Y HA 0.669 5.219 4.550 -0.001 0.000 0.343 632 Y C -0.342 175.477 175.900 -0.134 0.000 1.036 632 Y CA -1.157 56.938 58.100 -0.009 0.000 1.065 632 Y CB 1.732 40.204 38.460 0.019 0.000 1.288 632 Y HN 0.308 nan 8.280 nan 0.000 0.481 633 V N 3.068 122.938 119.914 -0.072 0.000 2.588 633 V HA 0.439 4.559 4.120 -0.001 0.000 0.304 633 V C -0.791 175.233 176.094 -0.118 0.000 1.042 633 V CA -0.966 61.221 62.300 -0.188 0.000 0.877 633 V CB 1.732 33.371 31.823 -0.307 0.000 0.996 633 V HN 0.493 nan 8.190 nan 0.000 0.425 634 L N 3.893 125.074 121.223 -0.071 0.000 2.282 634 L HA 0.699 5.039 4.340 -0.001 0.000 0.288 634 L C -0.076 176.800 176.870 0.011 0.000 1.033 634 L CA -0.126 54.691 54.840 -0.039 0.000 0.807 634 L CB 1.737 43.786 42.059 -0.015 0.000 1.209 634 L HN 0.604 nan 8.230 nan 0.000 0.423 635 T N 3.661 118.227 114.554 0.020 0.000 2.861 635 T HA 0.467 4.816 4.350 -0.001 0.000 0.287 635 T C -0.260 174.483 174.700 0.072 0.000 1.003 635 T CA -0.388 61.739 62.100 0.045 0.000 0.977 635 T CB 2.349 71.234 68.868 0.028 0.000 0.996 635 T HN 0.382 nan 8.240 nan 0.000 0.448 636 I N 3.102 123.724 120.570 0.087 0.000 2.612 636 I HA 0.553 4.722 4.170 -0.001 0.000 0.295 636 I C 0.261 176.441 176.117 0.104 0.000 1.011 636 I CA 0.126 61.494 61.300 0.114 0.000 1.326 636 I CB 0.794 38.864 38.000 0.117 0.000 1.427 636 I HN 0.832 nan 8.210 nan 0.000 0.537 637 S N 2.396 118.177 115.700 0.134 0.000 2.661 637 S HA 0.335 4.805 4.470 -0.001 0.000 0.285 637 S C 0.019 174.663 174.600 0.072 0.000 1.138 637 S CA -0.324 57.922 58.200 0.078 0.000 0.855 637 S CB 1.532 64.757 63.200 0.042 0.000 1.136 637 S HN 0.734 nan 8.310 nan 0.000 0.484 638 D N 0.593 120.974 120.400 -0.031 0.000 2.224 638 D HA 0.101 4.740 4.640 -0.001 0.000 0.205 638 D C 0.966 177.013 176.300 -0.421 0.000 0.965 638 D CA 1.087 55.032 54.000 -0.092 0.000 0.852 638 D CB -0.101 40.651 40.800 -0.080 0.000 0.947 638 D HN 0.680 nan 8.370 nan 0.000 0.494 639 S N -1.815 113.531 115.700 -0.590 0.000 2.794 639 S HA 0.380 4.849 4.470 -0.001 0.000 0.299 639 S C -0.784 173.362 174.600 -0.756 0.000 1.179 639 S CA -1.325 56.226 58.200 -1.082 0.000 0.838 639 S CB 1.136 64.003 63.200 -0.555 0.000 1.206 639 S HN -0.029 nan 8.310 nan 0.000 0.523 640 K N 1.969 122.036 120.400 -0.554 0.000 2.437 640 K HA 0.172 4.491 4.320 -0.001 0.000 0.277 640 K C -2.420 174.201 176.600 0.035 0.000 1.073 640 K CA -0.575 55.715 56.287 0.006 0.000 1.105 640 K CB -0.617 31.927 32.500 0.075 0.000 0.881 640 K HN 0.377 nan 8.250 nan 0.000 0.475 641 P HA -0.018 nan 4.420 nan 0.000 0.271 641 P C 0.561 177.880 177.300 0.032 0.000 1.218 641 P CA -0.238 62.907 63.100 0.075 0.000 0.780 641 P CB 0.730 32.499 31.700 0.114 0.000 0.901 642 E N 1.344 121.521 120.200 -0.038 0.000 2.118 642 E HA -0.251 4.099 4.350 -0.001 0.000 0.195 642 E C 0.598 177.025 176.600 -0.288 0.000 0.992 642 E CA 1.231 57.515 56.400 -0.195 0.000 0.804 642 E CB -0.042 29.469 29.700 -0.314 0.000 0.741 642 E HN 0.501 nan 8.360 nan 0.000 0.458 643 H N -0.837 118.240 119.070 0.012 0.000 2.520 643 H HA 0.212 4.768 4.556 -0.001 0.000 0.284 643 H C -0.379 174.941 175.328 -0.014 0.000 1.037 643 H CA 0.224 56.274 56.048 0.003 0.000 1.168 643 H CB 0.743 30.506 29.762 0.001 0.000 1.497 643 H HN -0.038 nan 8.280 nan 0.000 0.547 644 T N 1.518 116.094 114.554 0.036 0.000 2.792 644 T HA 0.318 4.668 4.350 -0.001 0.000 0.280 644 T C 0.375 174.953 174.700 -0.203 0.000 0.990 644 T CA -0.689 61.361 62.100 -0.082 0.000 0.960 644 T CB 2.140 70.949 68.868 -0.098 0.000 0.939 644 T HN 0.259 nan 8.240 nan 0.000 0.439 645 S N 2.332 117.874 115.700 -0.263 0.000 2.718 645 S HA 0.780 5.249 4.470 -0.001 0.000 0.300 645 S C -1.379 172.886 174.600 -0.559 0.000 1.117 645 S CA -0.816 57.239 58.200 -0.241 0.000 1.002 645 S CB 0.850 64.022 63.200 -0.047 0.000 1.092 645 S HN 0.583 nan 8.310 nan 0.000 0.542 646 Y N -0.091 120.217 120.300 0.014 0.000 2.391 646 Y HA 0.645 5.195 4.550 -0.001 0.000 0.341 646 Y C 0.544 176.497 175.900 0.088 0.000 0.965 646 Y CA -0.807 57.288 58.100 -0.009 0.000 1.067 646 Y CB 1.718 40.033 38.460 -0.241 0.000 1.199 646 Y HN 1.033 nan 8.280 nan 0.000 0.450 647 A N 2.055 125.071 122.820 0.328 0.000 2.445 647 A HA 0.471 4.791 4.320 -0.001 0.000 0.242 647 A C 0.312 178.097 177.584 0.335 0.000 1.075 647 A CA -0.287 51.926 52.037 0.293 0.000 0.777 647 A CB -0.074 19.097 19.000 0.284 0.000 1.013 647 A HN 0.766 nan 8.150 nan 0.000 0.493 648 S N 2.188 118.018 115.700 0.218 0.000 2.632 648 S HA 0.524 4.993 4.470 -0.001 0.000 0.271 648 S C -0.326 174.371 174.600 0.163 0.000 1.260 648 S CA -0.855 57.456 58.200 0.185 0.000 1.010 648 S CB 0.713 63.979 63.200 0.109 0.000 0.965 648 S HN 0.692 nan 8.310 nan 0.000 0.534 649 N N 0.541 119.315 118.700 0.123 0.000 2.310 649 N HA 0.486 5.226 4.740 -0.001 0.000 0.292 649 N C -1.983 173.474 175.510 -0.088 0.000 1.049 649 N CA -0.527 52.554 53.050 0.051 0.000 0.849 649 N CB 2.033 40.638 38.487 0.197 0.000 1.532 649 N HN 0.598 nan 8.380 nan 0.000 0.479 650 L N 2.540 123.668 121.223 -0.159 0.000 2.406 650 L HA 0.490 4.829 4.340 -0.001 0.000 0.272 650 L C -1.557 175.163 176.870 -0.251 0.000 0.980 650 L CA -0.546 54.171 54.840 -0.204 0.000 0.831 650 L CB 1.533 43.526 42.059 -0.111 0.000 1.253 650 L HN 0.427 nan 8.230 nan 0.000 0.406 651 L N 6.722 127.754 121.223 -0.319 0.000 2.265 651 L HA 0.465 4.804 4.340 -0.001 0.000 0.289 651 L C -1.204 175.644 176.870 -0.037 0.000 1.033 651 L CA -0.396 54.317 54.840 -0.211 0.000 0.814 651 L CB 1.231 43.161 42.059 -0.214 0.000 1.203 651 L HN 0.688 nan 8.230 nan 0.000 0.423 652 L N 7.102 128.315 121.223 -0.017 0.000 2.262 652 L HA 0.548 4.888 4.340 -0.001 0.000 0.288 652 L C -0.130 176.771 176.870 0.052 0.000 1.035 652 L CA -0.447 54.411 54.840 0.029 0.000 0.820 652 L CB 0.898 42.965 42.059 0.015 0.000 1.204 652 L HN 0.652 nan 8.230 nan 0.000 0.424 653 R N 1.927 122.468 120.500 0.069 0.000 2.687 653 R HA 0.435 4.774 4.340 -0.001 0.000 0.265 653 R C -1.576 174.749 176.300 0.042 0.000 1.048 653 R CA -1.086 55.047 56.100 0.054 0.000 0.884 653 R CB 1.220 31.550 30.300 0.050 0.000 1.258 653 R HN 0.114 nan 8.270 nan 0.000 0.469 654 K N 1.909 122.324 120.400 0.025 0.000 2.295 654 K HA 0.141 4.461 4.320 -0.001 0.000 0.270 654 K C -0.453 176.140 176.600 -0.013 0.000 1.011 654 K CA -0.228 56.065 56.287 0.009 0.000 0.953 654 K CB 0.291 32.796 32.500 0.008 0.000 0.956 654 K HN 0.812 nan 8.250 nan 0.000 0.477 655 N N 0.419 119.100 118.700 -0.030 0.000 2.708 655 N HA -0.120 4.620 4.740 -0.001 0.000 0.255 655 N C -2.453 173.000 175.510 -0.094 0.000 1.046 655 N CA 0.345 53.360 53.050 -0.059 0.000 0.715 655 N CB -1.574 36.883 38.487 -0.049 0.000 0.895 655 N HN 0.481 nan 8.380 nan 0.000 0.545 656 P HA 0.267 nan 4.420 nan 0.000 0.276 656 P C 0.198 177.316 177.300 -0.304 0.000 1.244 656 P CA 0.048 63.032 63.100 -0.193 0.000 0.801 656 P CB 0.969 32.525 31.700 -0.239 0.000 1.006 657 T N -2.593 111.781 114.554 -0.299 0.000 2.930 657 T HA 0.493 4.842 4.350 -0.001 0.000 0.290 657 T C 0.268 174.783 174.700 -0.307 0.000 1.052 657 T CA -0.764 61.170 62.100 -0.276 0.000 1.017 657 T CB 0.608 69.382 68.868 -0.157 0.000 1.137 657 T HN 0.472 nan 8.240 nan 0.000 0.511 658 S N 0.716 116.291 115.700 -0.209 0.000 2.566 658 S HA 0.347 4.816 4.470 -0.001 0.000 0.280 658 S C -0.155 174.538 174.600 0.155 0.000 1.343 658 S CA -0.718 57.457 58.200 -0.042 0.000 1.036 658 S CB -0.373 62.822 63.200 -0.009 0.000 0.866 658 S HN 0.690 nan 8.310 nan 0.000 0.526 659 L N 2.456 123.877 121.223 0.329 0.000 2.481 659 L HA 0.370 4.710 4.340 -0.001 0.000 0.255 659 L C -2.322 174.653 176.870 0.175 0.000 1.192 659 L CA -1.627 53.377 54.840 0.273 0.000 0.924 659 L CB 1.607 43.904 42.059 0.396 0.000 1.179 659 L HN 0.598 nan 8.230 nan 0.000 0.491 660 P HA 0.159 nan 4.420 nan 0.000 0.271 660 P C -0.035 177.263 177.300 -0.004 0.000 1.218 660 P CA -0.129 63.005 63.100 0.056 0.000 0.780 660 P CB 1.694 33.415 31.700 0.035 0.000 0.901 661 L N 1.042 122.274 121.223 0.015 0.000 3.366 661 L HA 0.273 4.613 4.340 -0.001 0.000 0.304 661 L C 1.426 178.365 176.870 0.115 0.000 1.292 661 L CA -0.037 54.794 54.840 -0.016 0.000 1.012 661 L CB 0.081 42.107 42.059 -0.054 0.000 1.414 661 L HN 0.730 nan 8.230 nan 0.000 0.603 662 G N 0.956 109.802 108.800 0.077 0.000 2.622 662 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.307 662 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.307 662 G C 0.581 175.532 174.900 0.084 0.000 1.226 662 G CA 0.719 45.877 45.100 0.097 0.000 0.997 662 G HN 0.418 nan 8.290 nan 0.000 0.551 663 Q N -0.495 119.336 119.800 0.052 0.000 2.472 663 Q HA 0.126 4.465 4.340 -0.001 0.000 0.208 663 Q C 0.823 176.653 176.000 -0.283 0.000 0.958 663 Q CA 0.269 55.994 55.803 -0.130 0.000 0.932 663 Q CB 0.180 28.745 28.738 -0.289 0.000 1.007 663 Q HN 0.489 nan 8.270 nan 0.000 0.508 664 Y N 3.421 123.529 120.300 -0.321 0.000 2.802 664 Y HA -0.050 4.499 4.550 -0.001 0.000 0.333 664 Y C -1.435 174.318 175.900 -0.245 0.000 1.244 664 Y CA -1.634 56.258 58.100 -0.347 0.000 1.558 664 Y CB 0.813 39.222 38.460 -0.083 0.000 1.233 664 Y HN 0.069 nan 8.280 nan 0.000 0.547 665 P HA -0.116 nan 4.420 nan 0.000 0.233 665 P C -0.497 176.633 177.300 -0.284 0.000 1.167 665 P CA 0.861 63.683 63.100 -0.463 0.000 0.770 665 P CB 0.275 31.585 31.700 -0.650 0.000 0.837 666 E N 0.801 120.845 120.200 -0.260 0.000 2.158 666 E HA 0.195 4.544 4.350 -0.001 0.000 0.271 666 E C -0.792 175.918 176.600 0.184 0.000 0.911 666 E CA -0.855 55.550 56.400 0.007 0.000 0.767 666 E CB 0.715 30.453 29.700 0.063 0.000 1.120 666 E HN -0.159 nan 8.360 nan 0.000 0.405 667 D N 2.879 123.349 120.400 0.118 0.000 2.389 667 D HA 0.076 4.715 4.640 -0.001 0.000 0.247 667 D C -0.137 176.223 176.300 0.100 0.000 1.128 667 D CA -0.166 53.909 54.000 0.125 0.000 0.884 667 D CB 1.335 42.195 40.800 0.100 0.000 1.194 667 D HN 0.189 nan 8.370 nan 0.000 0.441 668 V N 3.017 122.974 119.914 0.072 0.000 2.673 668 V HA -0.049 4.070 4.120 -0.001 0.000 0.303 668 V C 0.791 176.699 176.094 -0.310 0.000 1.046 668 V CA 0.304 62.540 62.300 -0.107 0.000 1.126 668 V CB 0.154 31.891 31.823 -0.145 0.000 0.934 668 V HN 0.346 nan 8.190 nan 0.000 0.487 669 K N 4.188 124.359 120.400 -0.382 0.000 2.118 669 K HA 0.718 5.038 4.320 -0.001 0.000 0.254 669 K C -1.132 175.089 176.600 -0.631 0.000 0.961 669 K CA -0.281 55.816 56.287 -0.316 0.000 0.876 669 K CB 1.391 33.827 32.500 -0.106 0.000 1.077 669 K HN 0.423 nan 8.250 nan 0.000 0.440 670 F N -0.319 119.639 119.950 0.014 0.000 2.577 670 F HA 0.727 5.254 4.527 -0.001 0.000 0.318 670 F C 0.549 176.349 175.800 0.001 0.000 1.065 670 F CA -0.601 57.398 58.000 -0.002 0.000 0.929 670 F CB 2.653 41.650 39.000 -0.004 0.000 1.237 670 F HN 0.617 nan 8.300 nan 0.000 0.468 671 G N 0.346 109.251 108.800 0.175 0.000 2.576 671 G HA2 0.386 4.346 3.960 -0.001 0.000 0.290 671 G HA3 0.386 4.346 3.960 -0.001 0.000 0.290 671 G C -2.156 172.792 174.900 0.081 0.000 1.442 671 G CA -0.864 44.298 45.100 0.104 0.000 0.792 671 G HN 0.367 nan 8.290 nan 0.000 0.491 672 D N 0.887 121.322 120.400 0.059 0.000 2.382 672 D HA 0.362 5.002 4.640 -0.001 0.000 0.240 672 D C -1.963 174.363 176.300 0.043 0.000 1.146 672 D CA -0.548 53.480 54.000 0.046 0.000 0.897 672 D CB 0.983 41.806 40.800 0.037 0.000 1.197 672 D HN -0.007 nan 8.370 nan 0.000 0.432 673 P HA 0.028 nan 4.420 nan 0.000 0.263 673 P C -0.413 176.912 177.300 0.042 0.000 1.175 673 P CA 0.501 63.626 63.100 0.042 0.000 0.761 673 P CB 0.382 32.108 31.700 0.043 0.000 0.794 674 R N 0.511 121.038 120.500 0.044 0.000 2.690 674 R HA 0.413 4.752 4.340 -0.001 0.000 0.269 674 R C -1.141 175.194 176.300 0.059 0.000 1.037 674 R CA -1.013 55.115 56.100 0.047 0.000 0.877 674 R CB 1.144 31.468 30.300 0.040 0.000 1.255 674 R HN 0.228 nan 8.270 nan 0.000 0.467 675 E N 1.883 122.121 120.200 0.063 0.000 2.392 675 E HA 0.218 4.567 4.350 -0.001 0.000 0.264 675 E C -0.009 176.643 176.600 0.087 0.000 1.024 675 E CA 0.075 56.524 56.400 0.082 0.000 0.903 675 E CB 0.781 30.517 29.700 0.061 0.000 0.963 675 E HN 0.449 nan 8.360 nan 0.000 0.432 676 I N -1.925 118.728 120.570 0.138 0.000 2.969 676 I HA 0.561 4.730 4.170 -0.001 0.000 0.307 676 I C -0.658 175.593 176.117 0.224 0.000 1.149 676 I CA -0.826 60.558 61.300 0.140 0.000 1.008 676 I CB 2.470 40.525 38.000 0.091 0.000 1.232 676 I HN 0.123 nan 8.210 nan 0.000 0.435 677 S N 3.830 119.636 115.700 0.177 0.000 2.536 677 S HA 0.821 5.291 4.470 -0.001 0.000 0.287 677 S C -0.815 173.895 174.600 0.184 0.000 1.101 677 S CA -0.634 57.684 58.200 0.196 0.000 0.950 677 S CB 1.798 65.066 63.200 0.114 0.000 1.056 677 S HN 0.531 nan 8.310 nan 0.000 0.481 678 L N 2.011 123.369 121.223 0.225 0.000 2.409 678 L HA 0.693 5.033 4.340 -0.001 0.000 0.262 678 L C -0.449 176.508 176.870 0.145 0.000 0.992 678 L CA -0.663 54.282 54.840 0.175 0.000 0.817 678 L CB 2.312 44.490 42.059 0.197 0.000 1.350 678 L HN 0.517 nan 8.230 nan 0.000 0.411 679 R N 1.542 122.106 120.500 0.107 0.000 2.533 679 R HA 0.683 5.023 4.340 -0.001 0.000 0.288 679 R C -2.040 174.304 176.300 0.074 0.000 1.039 679 R CA -0.493 55.658 56.100 0.085 0.000 0.909 679 R CB 2.334 32.675 30.300 0.068 0.000 1.195 679 R HN 0.400 nan 8.270 nan 0.000 0.438 680 V N 4.516 124.472 119.914 0.070 0.000 2.435 680 V HA 0.580 4.700 4.120 -0.001 0.000 0.290 680 V C 1.042 177.167 176.094 0.051 0.000 1.030 680 V CA 0.570 62.907 62.300 0.062 0.000 0.881 680 V CB 1.124 32.986 31.823 0.065 0.000 0.983 680 V HN 1.118 nan 8.190 nan 0.000 0.445 681 G N 5.254 114.082 108.800 0.047 0.000 2.582 681 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.288 681 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.288 681 G C 0.445 175.365 174.900 0.034 0.000 1.247 681 G CA 0.921 46.045 45.100 0.040 0.000 0.972 681 G HN 0.809 nan 8.290 nan 0.000 0.557 682 N N 1.493 120.210 118.700 0.028 0.000 2.268 682 N HA 0.402 5.142 4.740 -0.001 0.000 0.204 682 N C 1.302 176.822 175.510 0.016 0.000 1.124 682 N CA 0.307 53.370 53.050 0.020 0.000 0.838 682 N CB 0.439 38.936 38.487 0.016 0.000 0.994 682 N HN 0.780 nan 8.380 nan 0.000 0.489 683 G N 1.658 110.472 108.800 0.023 0.000 2.525 683 G HA2 0.161 4.121 3.960 -0.001 0.000 0.276 683 G HA3 0.161 4.121 3.960 -0.001 0.000 0.276 683 G C -2.277 172.631 174.900 0.014 0.000 1.388 683 G CA -0.696 44.416 45.100 0.020 0.000 1.050 683 G HN -0.040 nan 8.290 nan 0.000 0.520 684 P HA 0.213 nan 4.420 nan 0.000 0.274 684 P C -0.513 176.798 177.300 0.018 0.000 1.231 684 P CA 0.003 63.102 63.100 -0.001 0.000 0.790 684 P CB 0.902 32.598 31.700 -0.007 0.000 0.951 685 T N 2.800 117.358 114.554 0.008 0.000 2.767 685 T HA 0.444 4.793 4.350 -0.001 0.000 0.288 685 T C 0.057 174.776 174.700 0.033 0.000 0.963 685 T CA -0.336 61.791 62.100 0.045 0.000 1.019 685 T CB 0.050 68.956 68.868 0.063 0.000 0.923 685 T HN 0.177 nan 8.240 nan 0.000 0.468 686 L N 2.741 123.990 121.223 0.044 0.000 2.322 686 L HA 0.766 5.106 4.340 -0.001 0.000 0.281 686 L C 0.209 177.001 176.870 -0.130 0.000 1.014 686 L CA -1.151 53.633 54.840 -0.093 0.000 0.815 686 L CB 1.519 43.512 42.059 -0.110 0.000 1.247 686 L HN 0.635 nan 8.230 nan 0.000 0.421 687 A N 3.241 125.887 122.820 -0.291 0.000 2.324 687 A HA 0.864 5.183 4.320 -0.001 0.000 0.330 687 A C -1.185 176.123 177.584 -0.460 0.000 1.165 687 A CA -0.301 51.618 52.037 -0.197 0.000 0.813 687 A CB 0.765 19.697 19.000 -0.113 0.000 1.197 687 A HN 0.504 nan 8.150 nan 0.000 0.484 688 F N 0.813 120.766 119.950 0.005 0.000 2.546 688 F HA 0.531 5.058 4.527 -0.001 0.000 0.320 688 F C 1.084 176.894 175.800 0.018 0.000 1.076 688 F CA -0.312 57.700 58.000 0.020 0.000 0.928 688 F CB 2.161 41.189 39.000 0.047 0.000 1.189 688 F HN 0.676 nan 8.300 nan 0.000 0.465 689 S N 0.091 115.911 115.700 0.201 0.000 2.608 689 S HA 0.093 4.562 4.470 -0.001 0.000 0.261 689 S C 1.058 175.747 174.600 0.148 0.000 1.314 689 S CA -0.052 58.234 58.200 0.143 0.000 0.992 689 S CB 0.699 63.979 63.200 0.132 0.000 0.935 689 S HN 0.857 nan 8.310 nan 0.000 0.564 690 E N -0.049 120.214 120.200 0.105 0.000 2.401 690 E HA -0.215 4.135 4.350 -0.001 0.000 0.199 690 E C 1.290 177.940 176.600 0.084 0.000 1.023 690 E CA 1.066 57.517 56.400 0.085 0.000 0.859 690 E CB -0.427 29.312 29.700 0.065 0.000 0.780 690 E HN 0.790 nan 8.360 nan 0.000 0.523 691 Q N -0.003 119.857 119.800 0.100 0.000 2.320 691 Q HA 0.202 4.542 4.340 -0.001 0.000 0.201 691 Q C 0.835 176.905 176.000 0.117 0.000 0.910 691 Q CA 0.391 56.251 55.803 0.094 0.000 0.946 691 Q CB 0.915 29.708 28.738 0.091 0.000 1.062 691 Q HN 0.487 nan 8.270 nan 0.000 0.503 692 G N 0.612 109.500 108.800 0.146 0.000 2.143 692 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.248 692 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.248 692 G C -0.256 174.844 174.900 0.333 0.000 0.991 692 G CA -0.104 45.089 45.100 0.154 0.000 0.689 692 G HN 0.267 nan 8.290 nan 0.000 0.522 693 L N -0.107 121.338 121.223 0.370 0.000 2.317 693 L HA 0.656 4.996 4.340 -0.001 0.000 0.281 693 L C 0.845 177.942 176.870 0.379 0.000 1.024 693 L CA -1.372 53.727 54.840 0.432 0.000 0.810 693 L CB 1.563 43.791 42.059 0.281 0.000 1.240 693 L HN 0.137 nan 8.230 nan 0.000 0.427 694 L N 3.664 125.107 121.223 0.367 0.000 2.593 694 L HA -0.090 4.250 4.340 -0.001 0.000 0.287 694 L C 1.096 177.815 176.870 -0.253 0.000 1.243 694 L CA 1.012 55.779 54.840 -0.122 0.000 0.890 694 L CB 0.123 42.184 42.059 0.003 0.000 1.134 694 L HN 0.818 nan 8.230 nan 0.000 0.502 695 K N 1.456 121.578 120.400 -0.463 0.000 2.474 695 K HA 0.307 4.626 4.320 -0.001 0.000 0.204 695 K C -0.053 176.131 176.600 -0.694 0.000 1.220 695 K CA 0.329 56.133 56.287 -0.805 0.000 0.966 695 K CB 0.453 32.629 32.500 -0.540 0.000 1.049 695 K HN 0.603 nan 8.250 nan 0.000 0.554 696 S N 0.381 115.832 115.700 -0.415 0.000 2.547 696 S HA 0.586 5.056 4.470 -0.001 0.000 0.270 696 S C -1.166 173.323 174.600 -0.184 0.000 1.150 696 S CA -0.989 57.066 58.200 -0.241 0.000 0.850 696 S CB 1.347 64.481 63.200 -0.110 0.000 1.118 696 S HN 0.187 nan 8.310 nan 0.000 0.461 697 I N 1.599 122.099 120.570 -0.118 0.000 2.466 697 I HA 0.465 4.635 4.170 -0.001 0.000 0.289 697 I C -0.568 175.502 176.117 -0.079 0.000 1.026 697 I CA -0.402 60.842 61.300 -0.094 0.000 1.078 697 I CB 2.143 40.082 38.000 -0.103 0.000 1.249 697 I HN 0.739 nan 8.210 nan 0.000 0.429 698 Q N 6.023 125.766 119.800 -0.095 0.000 2.357 698 Q HA 0.424 4.763 4.340 -0.001 0.000 0.266 698 Q C -0.039 175.887 176.000 -0.122 0.000 1.021 698 Q CA -0.534 55.154 55.803 -0.193 0.000 0.784 698 Q CB 1.746 30.227 28.738 -0.427 0.000 1.243 698 Q HN 0.777 nan 8.270 nan 0.000 0.465 699 L N 1.985 123.146 121.223 -0.103 0.000 2.056 699 L HA -0.010 4.330 4.340 -0.001 0.000 0.207 699 L C 1.138 177.974 176.870 -0.058 0.000 1.078 699 L CA 1.211 56.010 54.840 -0.067 0.000 0.749 699 L CB -0.269 41.755 42.059 -0.059 0.000 0.901 699 L HN 0.661 nan 8.230 nan 0.000 0.433 700 T N -5.724 108.787 114.554 -0.071 0.000 2.901 700 T HA 0.233 4.582 4.350 -0.001 0.000 0.293 700 T C 0.470 175.132 174.700 -0.064 0.000 1.084 700 T CA -0.833 61.236 62.100 -0.053 0.000 1.008 700 T CB 1.809 70.652 68.868 -0.042 0.000 1.170 700 T HN 0.000 nan 8.240 nan 0.000 0.509 701 Q N 0.678 120.455 119.800 -0.038 0.000 2.173 701 Q HA -0.179 4.160 4.340 -0.001 0.000 0.208 701 Q C 0.369 176.346 176.000 -0.038 0.000 0.989 701 Q CA 2.379 58.165 55.803 -0.028 0.000 0.872 701 Q CB -0.405 28.328 28.738 -0.008 0.000 0.909 701 Q HN 0.924 nan 8.270 nan 0.000 0.420 702 D N -0.738 119.638 120.400 -0.040 0.000 2.670 702 D HA 0.094 4.734 4.640 -0.001 0.000 0.255 702 D C -0.261 176.008 176.300 -0.051 0.000 1.286 702 D CA -0.281 53.698 54.000 -0.035 0.000 0.830 702 D CB 0.353 41.144 40.800 -0.016 0.000 1.065 702 D HN 0.027 nan 8.370 nan 0.000 0.486 703 S N -1.078 114.570 115.700 -0.088 0.000 2.747 703 S HA 0.768 5.238 4.470 -0.001 0.000 0.300 703 S C -2.664 171.849 174.600 -0.145 0.000 1.121 703 S CA -1.466 56.677 58.200 -0.095 0.000 0.995 703 S CB 1.326 64.472 63.200 -0.090 0.000 1.113 703 S HN -0.147 nan 8.310 nan 0.000 0.547 704 P HA 0.224 nan 4.420 nan 0.000 0.272 704 P C -0.751 176.449 177.300 -0.167 0.000 1.223 704 P CA -0.236 62.816 63.100 -0.081 0.000 0.784 704 P CB 0.117 31.809 31.700 -0.014 0.000 0.923 705 H N 0.627 119.689 119.070 -0.012 0.000 2.969 705 H HA 0.152 4.707 4.556 -0.001 0.000 0.269 705 H C -0.209 175.097 175.328 -0.036 0.000 1.223 705 H CA -0.309 55.720 56.048 -0.031 0.000 1.400 705 H CB -0.127 29.618 29.762 -0.029 0.000 1.500 705 H HN 0.102 nan 8.280 nan 0.000 0.486 706 V N 6.795 126.715 119.914 0.010 0.000 2.470 706 V HA 0.058 4.178 4.120 -0.001 0.000 0.276 706 V C -1.876 174.179 176.094 -0.065 0.000 1.040 706 V CA -1.563 60.726 62.300 -0.018 0.000 1.008 706 V CB 0.730 32.528 31.823 -0.042 0.000 0.990 706 V HN 0.535 nan 8.190 nan 0.000 0.477 707 P HA 0.152 nan 4.420 nan 0.000 0.265 707 P C -0.784 176.431 177.300 -0.141 0.000 1.222 707 P CA 0.271 63.291 63.100 -0.134 0.000 0.767 707 P CB 0.428 31.933 31.700 -0.325 0.000 0.801 708 V N 5.049 124.855 119.914 -0.180 0.000 2.509 708 V HA 0.223 4.342 4.120 -0.001 0.000 0.289 708 V C -0.403 175.500 176.094 -0.318 0.000 1.026 708 V CA -0.453 61.715 62.300 -0.220 0.000 0.872 708 V CB 0.989 32.656 31.823 -0.259 0.000 1.017 708 V HN 0.577 nan 8.190 nan 0.000 0.436 709 H N 4.421 123.331 119.070 -0.266 0.000 2.511 709 H HA 0.458 5.013 4.556 -0.001 0.000 0.328 709 H C -0.920 174.282 175.328 -0.210 0.000 1.044 709 H CA -0.363 55.574 56.048 -0.185 0.000 1.212 709 H CB 1.852 31.541 29.762 -0.120 0.000 1.428 709 H HN 0.478 nan 8.280 nan 0.000 0.483 710 F N 2.600 122.530 119.950 -0.033 0.000 2.396 710 F HA 0.241 4.767 4.527 -0.001 0.000 0.343 710 F C 0.614 176.331 175.800 -0.138 0.000 1.104 710 F CA 0.043 57.966 58.000 -0.129 0.000 1.161 710 F CB 1.090 40.015 39.000 -0.125 0.000 1.146 710 F HN 0.283 nan 8.300 nan 0.000 0.522 711 K N 3.679 124.070 120.400 -0.015 0.000 2.502 711 K HA 0.485 4.804 4.320 -0.001 0.000 0.257 711 K C -1.962 174.466 176.600 -0.286 0.000 0.938 711 K CA -0.633 55.618 56.287 -0.060 0.000 0.819 711 K CB 1.495 33.986 32.500 -0.016 0.000 1.333 711 K HN 0.435 nan 8.250 nan 0.000 0.434 712 F N 3.735 123.663 119.950 -0.038 0.000 2.458 712 F HA 0.493 5.020 4.527 -0.001 0.000 0.336 712 F C -0.441 175.337 175.800 -0.036 0.000 1.114 712 F CA -0.616 57.357 58.000 -0.046 0.000 0.987 712 F CB 1.259 40.211 39.000 -0.080 0.000 1.130 712 F HN 0.244 nan 8.300 nan 0.000 0.458 713 L N 2.638 123.924 121.223 0.106 0.000 2.277 713 L HA 0.646 4.985 4.340 -0.001 0.000 0.254 713 L C -1.178 175.695 176.870 0.004 0.000 1.044 713 L CA -1.022 53.823 54.840 0.008 0.000 0.842 713 L CB 2.268 44.269 42.059 -0.097 0.000 1.422 713 L HN 0.496 nan 8.230 nan 0.000 0.422 714 K N -0.460 119.899 120.400 -0.069 0.000 2.427 714 K HA 0.644 4.963 4.320 -0.001 0.000 0.252 714 K C -1.773 174.761 176.600 -0.110 0.000 0.931 714 K CA -0.763 55.513 56.287 -0.019 0.000 0.793 714 K CB 1.587 34.108 32.500 0.035 0.000 1.211 714 K HN 0.273 nan 8.250 nan 0.000 0.426 715 Y N 0.771 121.136 120.300 0.109 0.000 2.376 715 Y HA 0.515 5.064 4.550 -0.001 0.000 0.325 715 Y C 1.078 177.035 175.900 0.095 0.000 1.199 715 Y CA -0.050 58.123 58.100 0.122 0.000 1.206 715 Y CB 2.094 40.696 38.460 0.236 0.000 1.229 715 Y HN 0.914 nan 8.280 nan 0.000 0.480 716 G N 0.495 109.436 108.800 0.235 0.000 2.971 716 G HA2 0.629 4.589 3.960 -0.001 0.000 0.235 716 G HA3 0.629 4.589 3.960 -0.001 0.000 0.235 716 G C -1.464 173.504 174.900 0.112 0.000 1.351 716 G CA -0.718 44.464 45.100 0.137 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.123 119.823 119.914 0.054 0.000 2.823 717 V HA 0.460 4.579 4.120 -0.001 0.000 0.312 717 V C -0.082 175.994 176.094 -0.031 0.000 1.072 717 V CA -0.869 61.441 62.300 0.016 0.000 0.937 717 V CB 1.957 33.795 31.823 0.025 0.000 1.013 717 V HN 0.676 nan 8.190 nan 0.000 0.430 718 R N 1.417 121.871 120.500 -0.076 0.000 2.491 718 R HA 0.174 4.513 4.340 -0.001 0.000 0.283 718 R C 1.268 177.486 176.300 -0.136 0.000 1.072 718 R CA 0.457 56.464 56.100 -0.156 0.000 1.048 718 R CB 0.618 30.793 30.300 -0.209 0.000 0.983 718 R HN 0.925 nan 8.270 nan 0.000 0.450 719 S N 1.867 117.465 115.700 -0.169 0.000 2.470 719 S HA -0.053 4.416 4.470 -0.001 0.000 0.225 719 S C 0.606 175.202 174.600 -0.006 0.000 1.006 719 S CA 0.117 58.280 58.200 -0.061 0.000 0.934 719 S CB -0.211 62.989 63.200 -0.001 0.000 0.778 719 S HN 0.774 nan 8.310 nan 0.000 0.517 720 H N -1.080 117.990 119.070 0.000 0.000 2.747 720 H HA 0.638 5.193 4.556 -0.001 0.000 0.371 720 H C 0.717 176.042 175.328 -0.006 0.000 1.161 720 H CA -0.575 55.472 56.048 -0.003 0.000 1.167 720 H CB 1.073 30.833 29.762 -0.003 0.000 1.732 720 H HN 0.382 nan 8.280 nan 0.000 0.544 721 G N 1.674 110.556 108.800 0.136 0.000 2.598 721 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.244 721 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.244 721 G C -0.926 173.980 174.900 0.009 0.000 1.302 721 G CA -0.031 45.111 45.100 0.070 0.000 0.903 721 G HN 0.803 nan 8.290 nan 0.000 0.575 722 D N 1.248 121.645 120.400 -0.006 0.000 2.424 722 D HA 0.484 5.124 4.640 -0.001 0.000 0.244 722 D C 1.013 177.291 176.300 -0.036 0.000 1.134 722 D CA 0.419 54.406 54.000 -0.022 0.000 0.881 722 D CB 0.710 41.495 40.800 -0.026 0.000 1.191 722 D HN 0.464 nan 8.370 nan 0.000 0.445 723 R N 0.632 121.115 120.500 -0.028 0.000 2.474 723 R HA 0.335 4.675 4.340 -0.001 0.000 0.295 723 R C 0.059 176.349 176.300 -0.017 0.000 0.980 723 R CA -0.526 55.560 56.100 -0.022 0.000 0.934 723 R CB 1.085 31.380 30.300 -0.008 0.000 1.101 723 R HN 0.223 nan 8.270 nan 0.000 0.469 724 S N 0.502 116.201 115.700 -0.003 0.000 2.563 724 S HA 0.435 4.905 4.470 -0.001 0.000 0.284 724 S C 0.423 175.040 174.600 0.028 0.000 1.331 724 S CA 0.343 58.559 58.200 0.026 0.000 1.047 724 S CB 0.914 64.161 63.200 0.079 0.000 0.859 724 S HN 0.750 nan 8.310 nan 0.000 0.514 725 G N 0.040 108.857 108.800 0.029 0.000 2.947 725 G HA2 0.593 4.552 3.960 -0.001 0.000 0.293 725 G HA3 0.593 4.552 3.960 -0.001 0.000 0.293 725 G C 0.588 175.505 174.900 0.029 0.000 1.243 725 G CA -0.121 45.002 45.100 0.039 0.000 0.802 725 G HN 0.705 nan 8.290 nan 0.000 0.560 726 A N -1.248 121.578 122.820 0.010 0.000 1.978 726 A HA 0.057 4.376 4.320 -0.001 0.000 0.220 726 A C 1.936 179.431 177.584 -0.149 0.000 1.170 726 A CA 2.047 54.032 52.037 -0.087 0.000 0.636 726 A CB -0.640 18.247 19.000 -0.188 0.000 0.810 726 A HN 0.588 nan 8.150 nan 0.000 0.448 727 Y N -0.858 119.376 120.300 -0.110 0.000 2.301 727 Y HA 0.342 4.892 4.550 -0.001 0.000 0.295 727 Y C 0.876 176.651 175.900 -0.209 0.000 1.126 727 Y CA 0.077 58.031 58.100 -0.243 0.000 1.154 727 Y CB -0.095 37.868 38.460 -0.830 0.000 1.075 727 Y HN 0.025 nan 8.280 nan 0.000 0.534 728 L N 0.381 121.555 121.223 -0.082 0.000 2.307 728 L HA 0.237 4.577 4.340 -0.001 0.000 0.282 728 L C -1.000 175.913 176.870 0.072 0.000 1.051 728 L CA -0.406 54.388 54.840 -0.077 0.000 0.804 728 L CB 1.296 43.258 42.059 -0.162 0.000 1.197 728 L HN 0.094 nan 8.230 nan 0.000 0.431 729 F N 4.830 124.715 119.950 -0.108 0.000 2.375 729 F HA 0.479 5.005 4.527 -0.001 0.000 0.361 729 F C -0.634 175.082 175.800 -0.139 0.000 1.117 729 F CA -0.756 57.143 58.000 -0.167 0.000 1.037 729 F CB 0.685 39.519 39.000 -0.277 0.000 1.192 729 F HN 0.315 nan 8.300 nan 0.000 0.452 730 L N 8.918 130.015 121.223 -0.209 0.000 2.556 730 L HA 0.341 4.680 4.340 -0.001 0.000 0.243 730 L C -2.339 174.333 176.870 -0.330 0.000 1.331 730 L CA -1.880 52.789 54.840 -0.286 0.000 0.927 730 L CB 0.866 42.853 42.059 -0.120 0.000 1.219 730 L HN 0.410 nan 8.230 nan 0.000 0.490 731 P HA 0.044 nan 4.420 nan 0.000 0.272 731 P C -0.475 176.731 177.300 -0.157 0.000 1.223 731 P CA -0.311 62.579 63.100 -0.350 0.000 0.784 731 P CB 0.587 31.950 31.700 -0.562 0.000 0.923 732 N N 1.181 119.859 118.700 -0.037 0.000 3.259 732 N HA 0.263 5.002 4.740 -0.001 0.000 0.308 732 N C 0.698 176.211 175.510 0.004 0.000 1.334 732 N CA -0.117 52.910 53.050 -0.038 0.000 1.202 732 N CB -0.933 37.533 38.487 -0.035 0.000 1.485 732 N HN 0.744 nan 8.380 nan 0.000 0.549 733 G N 0.758 109.559 108.800 0.002 0.000 2.710 733 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.668 733 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.668 733 G C -3.012 171.959 174.900 0.120 0.000 1.320 733 G CA -1.062 44.058 45.100 0.035 0.000 0.860 733 G HN 0.384 nan 8.290 nan 0.000 0.538 734 P HA 0.444 nan 4.420 nan 0.000 0.268 734 P C 0.537 177.806 177.300 -0.052 0.000 1.208 734 P CA 0.681 63.845 63.100 0.107 0.000 0.777 734 P CB 0.313 32.040 31.700 0.045 0.000 0.875 735 A N 2.122 124.729 122.820 -0.355 0.000 2.425 735 A HA 0.428 4.748 4.320 -0.001 0.000 0.242 735 A C 0.412 177.848 177.584 -0.246 0.000 1.077 735 A CA 0.127 51.797 52.037 -0.612 0.000 0.781 735 A CB -0.415 17.970 19.000 -1.024 0.000 1.020 735 A HN 0.573 nan 8.150 nan 0.000 0.494 736 S N 1.714 117.308 115.700 -0.178 0.000 2.501 736 S HA 0.687 5.156 4.470 -0.001 0.000 0.301 736 S C -2.989 171.575 174.600 -0.061 0.000 1.096 736 S CA -1.689 56.460 58.200 -0.084 0.000 1.063 736 S CB 1.328 64.501 63.200 -0.044 0.000 1.042 736 S HN 0.447 nan 8.310 nan 0.000 0.494 737 P HA 0.118 nan 4.420 nan 0.000 0.266 737 P C -0.531 176.777 177.300 0.013 0.000 1.195 737 P CA -0.350 62.747 63.100 -0.005 0.000 0.768 737 P CB 0.309 32.011 31.700 0.004 0.000 0.838 738 V N 4.130 124.067 119.914 0.039 0.000 2.585 738 V HA -0.020 4.099 4.120 -0.001 0.000 0.296 738 V C 1.011 177.122 176.094 0.028 0.000 1.035 738 V CA 0.192 62.514 62.300 0.038 0.000 1.084 738 V CB -0.177 31.679 31.823 0.055 0.000 0.953 738 V HN 0.481 nan 8.190 nan 0.000 0.483 739 E N 5.135 125.345 120.200 0.018 0.000 2.265 739 E HA 0.120 4.470 4.350 -0.001 0.000 0.272 739 E C 0.606 177.211 176.600 0.009 0.000 1.067 739 E CA 0.038 56.447 56.400 0.015 0.000 0.900 739 E CB 1.062 30.769 29.700 0.013 0.000 1.017 739 E HN 0.548 nan 8.360 nan 0.000 0.431 740 L N 1.930 123.160 121.223 0.013 0.000 2.477 740 L HA 0.077 4.417 4.340 -0.001 0.000 0.220 740 L C 1.438 178.310 176.870 0.003 0.000 1.106 740 L CA 0.529 55.372 54.840 0.004 0.000 0.851 740 L CB -0.460 41.610 42.059 0.019 0.000 0.994 740 L HN 0.760 nan 8.230 nan 0.000 0.462 741 G N 0.979 109.785 108.800 0.011 0.000 2.574 741 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.286 741 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.286 741 G C 0.004 174.915 174.900 0.018 0.000 1.212 741 G CA -0.044 45.063 45.100 0.013 0.000 0.979 741 G HN 0.417 nan 8.290 nan 0.000 0.557 742 Q N 1.653 121.464 119.800 0.019 0.000 2.644 742 Q HA 0.406 4.745 4.340 -0.001 0.000 0.245 742 Q C -2.251 173.768 176.000 0.031 0.000 1.064 742 Q CA -1.443 54.376 55.803 0.026 0.000 0.860 742 Q CB 1.860 30.613 28.738 0.025 0.000 1.145 742 Q HN 0.589 nan 8.270 nan 0.000 0.515 743 P HA 0.095 nan 4.420 nan 0.000 0.274 743 P C -0.311 177.033 177.300 0.074 0.000 1.231 743 P CA -0.347 62.777 63.100 0.039 0.000 0.790 743 P CB 1.119 32.825 31.700 0.011 0.000 0.951 744 V N 2.325 122.316 119.914 0.130 0.000 2.488 744 V HA 0.127 4.246 4.120 -0.001 0.000 0.277 744 V C 0.524 176.757 176.094 0.232 0.000 1.046 744 V CA -0.217 62.189 62.300 0.176 0.000 0.986 744 V CB 1.175 33.138 31.823 0.234 0.000 0.989 744 V HN 0.263 nan 8.190 nan 0.000 0.475 745 V N 6.370 126.368 119.914 0.139 0.000 2.495 745 V HA 0.484 4.603 4.120 -0.001 0.000 0.298 745 V C -0.424 175.687 176.094 0.029 0.000 1.031 745 V CA -0.641 61.721 62.300 0.102 0.000 0.871 745 V CB 1.718 33.559 31.823 0.031 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.432 746 L N 6.548 127.786 121.223 0.026 0.000 2.325 746 L HA 0.735 5.074 4.340 -0.001 0.000 0.281 746 L C -0.675 176.084 176.870 -0.184 0.000 1.004 746 L CA -0.004 54.730 54.840 -0.177 0.000 0.823 746 L CB 1.763 43.617 42.059 -0.342 0.000 1.236 746 L HN 0.438 nan 8.230 nan 0.000 0.415 747 V N 4.128 123.922 119.914 -0.200 0.000 2.384 747 V HA 0.546 4.665 4.120 -0.001 0.000 0.287 747 V C -0.008 176.016 176.094 -0.116 0.000 1.020 747 V CA -0.387 61.817 62.300 -0.160 0.000 0.850 747 V CB 1.559 33.304 31.823 -0.131 0.000 0.987 747 V HN 0.844 nan 8.190 nan 0.000 0.436 748 T N 5.362 119.877 114.554 -0.066 0.000 2.779 748 T HA 0.453 4.802 4.350 -0.001 0.000 0.280 748 T C -0.402 174.326 174.700 0.046 0.000 0.987 748 T CA -0.574 61.543 62.100 0.028 0.000 0.966 748 T CB 1.199 70.124 68.868 0.095 0.000 0.933 748 T HN 0.653 nan 8.240 nan 0.000 0.442 749 K N 2.327 122.771 120.400 0.074 0.000 2.450 749 K HA 0.678 4.997 4.320 -0.001 0.000 0.257 749 K C -0.443 176.217 176.600 0.099 0.000 0.953 749 K CA -0.585 55.746 56.287 0.074 0.000 0.844 749 K CB 1.051 33.587 32.500 0.059 0.000 1.103 749 K HN 0.798 nan 8.250 nan 0.000 0.429 750 G N 2.188 111.044 108.800 0.093 0.000 2.642 750 G HA2 0.208 4.167 3.960 -0.001 0.000 0.293 750 G HA3 0.208 4.167 3.960 -0.001 0.000 0.293 750 G C -0.049 174.897 174.900 0.076 0.000 1.341 750 G CA -0.585 44.572 45.100 0.095 0.000 0.916 750 G HN 0.488 nan 8.290 nan 0.000 0.474 751 K N -0.185 120.256 120.400 0.068 0.000 2.097 751 K HA 0.055 4.374 4.320 -0.001 0.000 0.205 751 K C 2.063 178.699 176.600 0.060 0.000 1.050 751 K CA 0.918 57.241 56.287 0.060 0.000 0.938 751 K CB -0.111 32.420 32.500 0.052 0.000 0.718 751 K HN 0.412 nan 8.250 nan 0.000 0.442 752 L N -0.530 120.730 121.223 0.063 0.000 2.357 752 L HA 0.162 4.502 4.340 -0.001 0.000 0.211 752 L C 0.785 177.691 176.870 0.060 0.000 1.075 752 L CA 0.141 55.018 54.840 0.061 0.000 0.830 752 L CB 0.362 42.460 42.059 0.066 0.000 0.996 752 L HN 0.124 nan 8.230 nan 0.000 0.467 753 E N -0.273 119.967 120.200 0.068 0.000 2.321 753 E HA 0.393 4.742 4.350 -0.001 0.000 0.281 753 E C -1.485 175.161 176.600 0.077 0.000 0.910 753 E CA -0.210 56.231 56.400 0.068 0.000 0.770 753 E CB 2.143 31.882 29.700 0.066 0.000 1.225 753 E HN -0.120 nan 8.360 nan 0.000 0.417 754 S N 1.238 116.981 115.700 0.071 0.000 2.599 754 S HA 0.786 5.256 4.470 -0.001 0.000 0.294 754 S C -1.267 173.360 174.600 0.046 0.000 1.094 754 S CA -0.694 57.544 58.200 0.063 0.000 0.931 754 S CB 1.786 65.024 63.200 0.063 0.000 1.093 754 S HN 0.615 nan 8.310 nan 0.000 0.488 755 S N -0.179 115.525 115.700 0.007 0.000 2.565 755 S HA 0.735 5.205 4.470 -0.001 0.000 0.269 755 S C -1.686 172.826 174.600 -0.146 0.000 1.153 755 S CA -0.750 57.428 58.200 -0.036 0.000 0.835 755 S CB 1.074 64.276 63.200 0.003 0.000 1.122 755 S HN 0.454 nan 8.310 nan 0.000 0.462 756 V N 1.868 121.632 119.914 -0.251 0.000 2.483 756 V HA 0.726 4.846 4.120 -0.001 0.000 0.297 756 V C -0.500 175.460 176.094 -0.224 0.000 1.027 756 V CA -0.393 61.686 62.300 -0.368 0.000 0.855 756 V CB 1.556 32.833 31.823 -0.910 0.000 0.995 756 V HN 0.988 nan 8.190 nan 0.000 0.424 757 S N 3.276 118.905 115.700 -0.119 0.000 2.500 757 S HA 0.781 5.251 4.470 -0.001 0.000 0.301 757 S C -0.814 173.733 174.600 -0.089 0.000 1.092 757 S CA -0.618 57.526 58.200 -0.092 0.000 1.030 757 S CB 2.139 65.398 63.200 0.100 0.000 1.031 757 S HN 0.656 nan 8.310 nan 0.000 0.483 758 V N 2.144 121.880 119.914 -0.296 0.000 2.760 758 V HA 0.814 4.933 4.120 -0.001 0.000 0.309 758 V C -0.027 175.701 176.094 -0.610 0.000 1.077 758 V CA -0.433 61.700 62.300 -0.278 0.000 0.910 758 V CB 1.782 33.570 31.823 -0.057 0.000 1.008 758 V HN 0.990 nan 8.190 nan 0.000 0.424 759 G N 7.029 115.485 108.800 -0.573 0.000 2.663 759 G HA2 0.527 4.486 3.960 -0.001 0.000 0.320 759 G HA3 0.527 4.486 3.960 -0.001 0.000 0.320 759 G C -0.532 174.224 174.900 -0.239 0.000 0.937 759 G CA -0.331 44.474 45.100 -0.491 0.000 1.332 759 G HN 0.701 nan 8.290 nan 0.000 0.461 760 L N 2.721 123.771 121.223 -0.288 0.000 2.416 760 L HA 0.394 4.734 4.340 -0.001 0.000 0.262 760 L C -1.989 174.756 176.870 -0.208 0.000 1.093 760 L CA -2.375 52.325 54.840 -0.233 0.000 0.801 760 L CB 1.742 43.602 42.059 -0.333 0.000 1.191 760 L HN 0.202 nan 8.230 nan 0.000 0.459 761 P HA 0.050 nan 4.420 nan 0.000 0.262 761 P C 0.064 177.290 177.300 -0.123 0.000 1.199 761 P CA 0.481 63.521 63.100 -0.099 0.000 0.763 761 P CB 0.871 32.540 31.700 -0.051 0.000 0.790 762 S N -0.330 115.320 115.700 -0.084 0.000 2.691 762 S HA -0.141 4.329 4.470 -0.001 0.000 0.262 762 S C 0.176 174.692 174.600 -0.140 0.000 1.284 762 S CA 1.153 59.308 58.200 -0.075 0.000 1.372 762 S CB -1.569 61.603 63.200 -0.045 0.000 1.693 762 S HN 0.536 nan 8.310 nan 0.000 0.647 763 V N 1.706 121.472 119.914 -0.247 0.000 2.655 763 V HA 0.586 4.705 4.120 -0.001 0.000 0.301 763 V C -0.868 175.009 176.094 -0.362 0.000 1.082 763 V CA -0.565 61.545 62.300 -0.317 0.000 0.899 763 V CB 2.130 33.637 31.823 -0.527 0.000 1.014 763 V HN 0.149 nan 8.190 nan 0.000 0.429 764 V N 7.305 127.020 119.914 -0.331 0.000 2.368 764 V HA 0.381 4.500 4.120 -0.001 0.000 0.266 764 V C 0.192 176.090 176.094 -0.327 0.000 1.045 764 V CA -0.353 61.649 62.300 -0.497 0.000 0.899 764 V CB 0.776 32.199 31.823 -0.667 0.000 1.006 764 V HN 0.898 nan 8.190 nan 0.000 0.470 765 H N 5.928 124.752 119.070 -0.409 0.000 2.488 765 H HA 0.493 5.048 4.556 -0.001 0.000 0.322 765 H C -0.690 174.529 175.328 -0.182 0.000 1.078 765 H CA -0.454 55.459 56.048 -0.225 0.000 1.260 765 H CB 1.449 31.114 29.762 -0.161 0.000 1.425 765 H HN 0.704 nan 8.280 nan 0.000 0.471 766 Q N 4.165 123.665 119.800 -0.498 0.000 2.323 766 Q HA 0.293 4.632 4.340 -0.001 0.000 0.271 766 Q C -1.489 174.306 176.000 -0.342 0.000 1.048 766 Q CA -0.857 54.741 55.803 -0.342 0.000 0.792 766 Q CB 1.948 30.594 28.738 -0.154 0.000 1.280 766 Q HN 0.641 nan 8.270 nan 0.000 0.441 767 T N 4.819 119.252 114.554 -0.202 0.000 2.770 767 T HA 0.544 4.894 4.350 -0.001 0.000 0.283 767 T C -0.359 174.366 174.700 0.041 0.000 0.988 767 T CA -0.317 61.783 62.100 -0.001 0.000 0.957 767 T CB 0.332 69.362 68.868 0.269 0.000 0.930 767 T HN 0.454 nan 8.240 nan 0.000 0.443 768 I N 3.612 124.222 120.570 0.066 0.000 2.474 768 I HA 0.501 4.670 4.170 -0.001 0.000 0.294 768 I C -0.271 175.900 176.117 0.090 0.000 1.005 768 I CA -0.809 60.530 61.300 0.065 0.000 1.113 768 I CB 1.814 39.844 38.000 0.050 0.000 1.289 768 I HN 0.387 nan 8.210 nan 0.000 0.436 769 M N 5.833 125.486 119.600 0.088 0.000 2.253 769 M HA 0.489 4.968 4.480 -0.001 0.000 0.314 769 M C 0.130 176.472 176.300 0.070 0.000 1.019 769 M CA -0.357 54.997 55.300 0.090 0.000 0.932 769 M CB 2.209 34.876 32.600 0.112 0.000 1.606 769 M HN 0.484 nan 8.290 nan 0.000 0.430 770 R N 1.123 121.659 120.500 0.060 0.000 2.572 770 R HA 0.355 4.695 4.340 -0.001 0.000 0.370 770 R C 0.787 177.115 176.300 0.047 0.000 1.005 770 R CA 0.240 56.370 56.100 0.049 0.000 1.146 770 R CB 1.124 31.446 30.300 0.038 0.000 1.390 770 R HN 1.147 nan 8.270 nan 0.000 0.553 771 G N -0.270 108.559 108.800 0.049 0.000 2.211 771 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 771 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 771 G C 0.275 175.196 174.900 0.036 0.000 0.997 771 G CA -0.377 44.749 45.100 0.043 0.000 0.652 771 G HN 0.523 nan 8.290 nan 0.000 0.500 772 G N -0.147 108.675 108.800 0.037 0.000 3.257 772 G HA2 0.801 4.760 3.960 -0.001 0.000 0.205 772 G HA3 0.801 4.760 3.960 -0.001 0.000 0.205 772 G C 0.478 175.399 174.900 0.034 0.000 1.234 772 G CA 0.404 45.522 45.100 0.029 0.000 0.918 772 G HN 1.551 nan 8.290 nan 0.000 0.602 773 A N 1.385 124.223 122.820 0.030 0.000 2.565 773 A HA 0.484 4.804 4.320 -0.001 0.000 0.237 773 A C -1.704 175.917 177.584 0.063 0.000 1.053 773 A CA -0.339 51.722 52.037 0.039 0.000 0.755 773 A CB -0.514 18.507 19.000 0.035 0.000 0.980 773 A HN 0.395 nan 8.150 nan 0.000 0.506 774 P HA 0.123 nan 4.420 nan 0.000 0.272 774 P C -0.428 176.945 177.300 0.121 0.000 1.230 774 P CA -0.177 62.988 63.100 0.108 0.000 0.788 774 P CB 0.640 32.425 31.700 0.142 0.000 0.949 775 E N 1.400 121.668 120.200 0.114 0.000 2.191 775 E HA 0.369 4.718 4.350 -0.001 0.000 0.278 775 E C -0.762 175.916 176.600 0.129 0.000 0.972 775 E CA -0.707 55.765 56.400 0.120 0.000 0.804 775 E CB 0.569 30.317 29.700 0.080 0.000 1.110 775 E HN 0.220 nan 8.360 nan 0.000 0.394 776 I N 4.176 124.856 120.570 0.184 0.000 2.404 776 I HA 0.405 4.574 4.170 -0.001 0.000 0.293 776 I C -0.006 176.234 176.117 0.206 0.000 0.992 776 I CA -0.599 60.788 61.300 0.145 0.000 1.149 776 I CB 1.277 39.374 38.000 0.163 0.000 1.315 776 I HN 0.549 nan 8.210 nan 0.000 0.446 777 R N 4.597 125.147 120.500 0.084 0.000 2.561 777 R HA 0.487 4.826 4.340 -0.001 0.000 0.297 777 R C -0.925 175.435 176.300 0.099 0.000 0.969 777 R CA -0.840 55.326 56.100 0.110 0.000 0.879 777 R CB 2.007 32.331 30.300 0.040 0.000 1.178 777 R HN 0.460 nan 8.270 nan 0.000 0.445 778 N N 2.662 121.486 118.700 0.206 0.000 2.443 778 N HA 0.190 4.930 4.740 -0.001 0.000 0.269 778 N C -1.240 174.299 175.510 0.049 0.000 0.985 778 N CA -0.690 52.461 53.050 0.168 0.000 0.921 778 N CB 1.833 40.532 38.487 0.353 0.000 1.195 778 N HN 0.322 nan 8.380 nan 0.000 0.492 779 L N 3.794 124.990 121.223 -0.045 0.000 2.282 779 L HA 0.367 4.706 4.340 -0.001 0.000 0.287 779 L C -0.997 175.822 176.870 -0.085 0.000 1.075 779 L CA -0.438 54.357 54.840 -0.075 0.000 0.839 779 L CB 0.427 42.435 42.059 -0.085 0.000 1.219 779 L HN 0.207 nan 8.230 nan 0.000 0.434 780 V N 4.627 124.492 119.914 -0.082 0.000 2.350 780 V HA 0.384 4.504 4.120 -0.001 0.000 0.276 780 V C -0.477 175.596 176.094 -0.036 0.000 1.028 780 V CA -0.494 61.776 62.300 -0.050 0.000 0.860 780 V CB 1.283 33.104 31.823 -0.002 0.000 0.990 780 V HN 0.697 nan 8.190 nan 0.000 0.453 781 D N 3.996 124.379 120.400 -0.027 0.000 2.375 781 D HA 0.264 4.903 4.640 -0.001 0.000 0.259 781 D C 0.543 176.845 176.300 0.004 0.000 1.235 781 D CA -0.424 53.571 54.000 -0.009 0.000 0.924 781 D CB 1.373 42.168 40.800 -0.010 0.000 1.143 781 D HN 0.453 nan 8.370 nan 0.000 0.529 782 I N 2.477 123.059 120.570 0.020 0.000 2.756 782 I HA 0.048 4.218 4.170 -0.001 0.000 0.262 782 I C 1.408 177.538 176.117 0.022 0.000 1.225 782 I CA 1.249 62.567 61.300 0.031 0.000 1.472 782 I CB -0.195 37.837 38.000 0.054 0.000 1.094 782 I HN 0.637 nan 8.210 nan 0.000 0.454 783 G N 0.238 109.045 108.800 0.012 0.000 2.591 783 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.298 783 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.298 783 G C 0.578 175.480 174.900 0.003 0.000 1.195 783 G CA 0.290 45.389 45.100 -0.002 0.000 0.989 783 G HN 0.339 nan 8.290 nan 0.000 0.551 784 S N 0.338 116.037 115.700 -0.001 0.000 2.574 784 S HA 0.375 4.844 4.470 -0.001 0.000 0.242 784 S C 0.373 174.981 174.600 0.014 0.000 0.982 784 S CA -0.302 57.901 58.200 0.004 0.000 0.977 784 S CB 0.177 63.374 63.200 -0.006 0.000 0.814 784 S HN 0.472 nan 8.310 nan 0.000 0.464 785 L N 3.225 124.461 121.223 0.022 0.000 2.451 785 L HA 0.222 4.562 4.340 -0.001 0.000 0.272 785 L C 0.077 176.969 176.870 0.037 0.000 1.258 785 L CA 0.074 54.932 54.840 0.030 0.000 1.132 785 L CB -1.101 40.979 42.059 0.035 0.000 1.361 785 L HN 0.025 nan 8.230 nan 0.000 0.438 786 D N 2.559 122.978 120.400 0.032 0.000 2.382 786 D HA 0.053 4.692 4.640 -0.001 0.000 0.240 786 D C 0.678 177.004 176.300 0.043 0.000 1.146 786 D CA 0.273 54.294 54.000 0.036 0.000 0.897 786 D CB 0.319 41.136 40.800 0.028 0.000 1.197 786 D HN 0.317 nan 8.370 nan 0.000 0.432 787 N N 0.570 119.299 118.700 0.048 0.000 2.725 787 N HA -0.179 4.560 4.740 -0.001 0.000 0.251 787 N C -0.943 174.611 175.510 0.074 0.000 1.031 787 N CA 0.850 53.934 53.050 0.057 0.000 0.720 787 N CB -1.248 37.265 38.487 0.044 0.000 0.930 787 N HN 0.276 nan 8.380 nan 0.000 0.543 788 T N 0.488 115.092 114.554 0.083 0.000 2.916 788 T HA 0.402 4.752 4.350 -0.001 0.000 0.298 788 T C -0.275 174.498 174.700 0.121 0.000 1.031 788 T CA -0.719 61.442 62.100 0.103 0.000 0.993 788 T CB 2.298 71.214 68.868 0.080 0.000 1.045 788 T HN 0.031 nan 8.240 nan 0.000 0.454 789 E N 2.602 122.904 120.200 0.169 0.000 2.191 789 E HA 0.443 4.792 4.350 -0.001 0.000 0.263 789 E C -0.736 175.990 176.600 0.209 0.000 0.881 789 E CA -0.631 55.870 56.400 0.169 0.000 0.757 789 E CB 2.243 32.028 29.700 0.141 0.000 1.147 789 E HN 0.493 nan 8.360 nan 0.000 0.414 790 I N 2.785 123.463 120.570 0.180 0.000 2.331 790 I HA 0.224 4.393 4.170 -0.001 0.000 0.292 790 I C -0.205 176.056 176.117 0.241 0.000 0.998 790 I CA -0.781 60.638 61.300 0.199 0.000 1.267 790 I CB 1.387 39.496 38.000 0.181 0.000 1.386 790 I HN 0.203 nan 8.210 nan 0.000 0.476 791 V N 8.059 128.115 119.914 0.236 0.000 2.628 791 V HA 0.497 4.616 4.120 -0.001 0.000 0.306 791 V C -0.442 175.702 176.094 0.085 0.000 1.045 791 V CA -0.732 61.694 62.300 0.210 0.000 0.905 791 V CB 1.999 33.997 31.823 0.292 0.000 0.997 791 V HN 0.753 nan 8.190 nan 0.000 0.436 792 M N 7.256 126.831 119.600 -0.041 0.000 2.129 792 M HA 0.568 5.047 4.480 -0.001 0.000 0.348 792 M C -0.563 175.615 176.300 -0.203 0.000 1.116 792 M CA -0.426 54.631 55.300 -0.405 0.000 1.022 792 M CB 0.612 32.919 32.600 -0.490 0.000 1.599 792 M HN 0.751 nan 8.290 nan 0.000 0.449 793 R N 4.688 125.066 120.500 -0.203 0.000 2.637 793 R HA 0.695 5.034 4.340 -0.001 0.000 0.291 793 R C -1.958 174.292 176.300 -0.084 0.000 0.963 793 R CA -0.627 55.414 56.100 -0.097 0.000 0.901 793 R CB 1.499 31.755 30.300 -0.073 0.000 1.160 793 R HN 0.812 nan 8.270 nan 0.000 0.457 794 L N 3.351 124.495 121.223 -0.131 0.000 2.313 794 L HA 0.420 4.760 4.340 -0.001 0.000 0.283 794 L C -0.526 176.253 176.870 -0.153 0.000 1.013 794 L CA -0.421 54.273 54.840 -0.243 0.000 0.816 794 L CB 1.934 43.792 42.059 -0.336 0.000 1.236 794 L HN 0.613 nan 8.230 nan 0.000 0.419 795 E N 2.148 122.272 120.200 -0.126 0.000 2.158 795 E HA 0.521 4.871 4.350 -0.001 0.000 0.271 795 E C -0.587 175.961 176.600 -0.087 0.000 0.911 795 E CA -0.508 55.840 56.400 -0.086 0.000 0.767 795 E CB 2.147 31.797 29.700 -0.084 0.000 1.120 795 E HN 0.615 nan 8.360 nan 0.000 0.405 796 T N -1.230 113.280 114.554 -0.073 0.000 2.804 796 T HA 0.319 4.668 4.350 -0.001 0.000 0.290 796 T C 0.078 174.785 174.700 0.012 0.000 1.099 796 T CA -0.718 61.329 62.100 -0.088 0.000 1.011 796 T CB 1.036 69.867 68.868 -0.061 0.000 1.291 796 T HN 0.584 nan 8.240 nan 0.000 0.523 797 H N -0.606 118.461 119.070 -0.004 0.000 2.507 797 H HA 0.420 4.975 4.556 -0.001 0.000 0.294 797 H C 0.013 175.342 175.328 0.003 0.000 1.064 797 H CA -0.534 55.512 56.048 -0.002 0.000 1.138 797 H CB 0.023 29.786 29.762 0.003 0.000 1.515 797 H HN 0.307 nan 8.280 nan 0.000 0.547 798 I N 1.538 122.176 120.570 0.113 0.000 2.533 798 I HA -0.094 4.075 4.170 -0.001 0.000 0.284 798 I C 0.455 176.616 176.117 0.073 0.000 1.109 798 I CA 0.062 61.409 61.300 0.079 0.000 1.412 798 I CB 0.638 38.675 38.000 0.061 0.000 1.396 798 I HN 0.158 nan 8.210 nan 0.000 0.543 799 D N 4.468 124.906 120.400 0.063 0.000 2.713 799 D HA 0.026 4.665 4.640 -0.001 0.000 0.229 799 D C 1.267 177.605 176.300 0.064 0.000 1.136 799 D CA 0.008 54.040 54.000 0.053 0.000 1.010 799 D CB 0.345 41.168 40.800 0.037 0.000 1.084 799 D HN 0.548 nan 8.370 nan 0.000 0.495 800 S N 0.125 115.870 115.700 0.076 0.000 2.496 800 S HA 0.240 4.710 4.470 -0.001 0.000 0.224 800 S C 1.620 176.272 174.600 0.086 0.000 0.996 800 S CA 0.288 58.547 58.200 0.099 0.000 0.927 800 S CB -0.147 63.125 63.200 0.119 0.000 0.774 800 S HN 0.512 nan 8.310 nan 0.000 0.524 801 G N 3.215 112.054 108.800 0.066 0.000 2.574 801 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.301 801 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.301 801 G C 0.177 175.119 174.900 0.070 0.000 1.166 801 G CA 0.606 45.740 45.100 0.057 0.000 0.971 801 G HN 0.768 nan 8.290 nan 0.000 0.542 802 D N 0.223 120.668 120.400 0.075 0.000 2.440 802 D HA 0.334 4.974 4.640 -0.001 0.000 0.216 802 D C 0.706 177.089 176.300 0.138 0.000 1.150 802 D CA -0.200 53.863 54.000 0.104 0.000 0.832 802 D CB 0.239 41.085 40.800 0.077 0.000 0.992 802 D HN 0.451 nan 8.370 nan 0.000 0.502 803 I N 1.562 122.197 120.570 0.108 0.000 2.392 803 I HA 0.482 4.652 4.170 -0.001 0.000 0.295 803 I C -0.132 176.069 176.117 0.140 0.000 0.985 803 I CA -1.084 60.223 61.300 0.013 0.000 1.221 803 I CB 0.567 38.541 38.000 -0.044 0.000 1.366 803 I HN 0.003 nan 8.210 nan 0.000 0.467 804 F N 4.421 124.200 119.950 -0.285 0.000 2.711 804 F HA 0.691 5.218 4.527 -0.001 0.000 0.313 804 F C -2.045 173.415 175.800 -0.567 0.000 1.141 804 F CA -1.166 56.685 58.000 -0.248 0.000 0.941 804 F CB 1.574 40.500 39.000 -0.123 0.000 1.349 804 F HN 0.168 nan 8.300 nan 0.000 0.464 805 Y N 0.219 120.287 120.300 -0.386 0.000 2.425 805 Y HA 0.670 5.219 4.550 -0.001 0.000 0.344 805 Y C -0.051 175.678 175.900 -0.284 0.000 0.969 805 Y CA -0.758 56.987 58.100 -0.593 0.000 1.052 805 Y CB 2.464 40.155 38.460 -1.280 0.000 1.215 805 Y HN 0.861 nan 8.280 nan 0.000 0.451 806 T N -1.222 113.268 114.554 -0.106 0.000 2.906 806 T HA 0.454 4.803 4.350 -0.001 0.000 0.295 806 T C -1.021 173.508 174.700 -0.285 0.000 1.075 806 T CA -1.088 60.967 62.100 -0.074 0.000 1.005 806 T CB 1.985 70.782 68.868 -0.119 0.000 1.136 806 T HN 0.593 nan 8.240 nan 0.000 0.498 807 D N 1.354 121.421 120.400 -0.554 0.000 2.348 807 D HA 0.332 4.971 4.640 -0.001 0.000 0.249 807 D C -0.594 175.444 176.300 -0.437 0.000 1.110 807 D CA -0.761 52.721 54.000 -0.864 0.000 0.967 807 D CB 1.208 41.235 40.800 -1.288 0.000 1.139 807 D HN 0.555 nan 8.370 nan 0.000 0.466 808 L N 1.396 122.404 121.223 -0.357 0.000 2.316 808 L HA 0.243 4.583 4.340 -0.001 0.000 0.280 808 L C 0.321 177.073 176.870 -0.197 0.000 1.006 808 L CA -0.781 53.940 54.840 -0.198 0.000 0.836 808 L CB 0.647 42.654 42.059 -0.087 0.000 1.221 808 L HN 0.428 nan 8.230 nan 0.000 0.418 809 N N 2.758 121.350 118.700 -0.179 0.000 2.714 809 N HA -0.228 4.512 4.740 -0.001 0.000 0.250 809 N C 1.015 176.323 175.510 -0.336 0.000 1.117 809 N CA 0.957 53.900 53.050 -0.177 0.000 0.719 809 N CB -0.834 37.619 38.487 -0.056 0.000 1.081 809 N HN 1.129 nan 8.380 nan 0.000 0.557 810 G N -0.600 108.010 108.800 -0.317 0.000 2.155 810 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.257 810 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.257 810 G C 0.641 175.510 174.900 -0.051 0.000 0.983 810 G CA 0.784 45.726 45.100 -0.264 0.000 0.676 810 G HN 0.461 nan 8.290 nan 0.000 0.528 811 L N -0.382 120.748 121.223 -0.156 0.000 2.467 811 L HA 0.497 4.836 4.340 -0.001 0.000 0.213 811 L C 1.029 177.782 176.870 -0.195 0.000 1.053 811 L CA 1.986 56.643 54.840 -0.304 0.000 0.847 811 L CB 0.137 41.846 42.059 -0.582 0.000 1.075 811 L HN 0.697 nan 8.230 nan 0.000 0.479 812 Q N -1.819 117.876 119.800 -0.175 0.000 2.482 812 Q HA 0.363 4.702 4.340 -0.001 0.000 0.286 812 Q C -1.688 174.219 176.000 -0.155 0.000 1.007 812 Q CA -0.742 55.028 55.803 -0.056 0.000 0.801 812 Q CB 1.188 29.953 28.738 0.045 0.000 1.455 812 Q HN -0.043 nan 8.270 nan 0.000 0.398 813 F N 1.295 121.212 119.950 -0.056 0.000 2.436 813 F HA 0.588 5.115 4.527 -0.001 0.000 0.340 813 F C -0.196 175.575 175.800 -0.049 0.000 1.113 813 F CA -0.847 57.131 58.000 -0.037 0.000 1.022 813 F CB 1.679 40.704 39.000 0.041 0.000 1.128 813 F HN 0.534 nan 8.300 nan 0.000 0.466 814 I N 3.827 124.412 120.570 0.025 0.000 2.441 814 I HA 0.335 4.504 4.170 -0.001 0.000 0.295 814 I C -0.436 175.546 176.117 -0.225 0.000 0.994 814 I CA -0.865 60.395 61.300 -0.067 0.000 1.144 814 I CB 1.237 39.152 38.000 -0.142 0.000 1.314 814 I HN 0.505 nan 8.210 nan 0.000 0.445 815 K N 6.778 126.998 120.400 -0.300 0.000 2.368 815 K HA 0.252 4.571 4.320 -0.001 0.000 0.282 815 K C -0.843 175.313 176.600 -0.741 0.000 1.035 815 K CA -0.354 55.484 56.287 -0.749 0.000 0.973 815 K CB 0.502 32.698 32.500 -0.507 0.000 0.957 815 K HN 0.507 nan 8.250 nan 0.000 0.474 816 R N 3.287 123.167 120.500 -1.034 0.000 2.664 816 R HA 0.356 4.696 4.340 -0.001 0.000 0.286 816 R C -0.500 175.309 176.300 -0.818 0.000 0.967 816 R CA -0.797 54.634 56.100 -1.115 0.000 0.933 816 R CB 1.540 30.650 30.300 -1.983 0.000 1.146 816 R HN 0.658 nan 8.270 nan 0.000 0.468 817 R N 1.482 121.715 120.500 -0.445 0.000 2.476 817 R HA 0.283 4.623 4.340 -0.001 0.000 0.305 817 R C -0.476 175.869 176.300 0.075 0.000 0.965 817 R CA -0.663 55.350 56.100 -0.144 0.000 0.867 817 R CB 1.518 31.772 30.300 -0.076 0.000 1.176 817 R HN 0.529 nan 8.270 nan 0.000 0.447 818 R N 4.881 125.531 120.500 0.249 0.000 2.522 818 R HA 0.106 4.445 4.340 -0.001 0.000 0.284 818 R C -0.941 175.445 176.300 0.144 0.000 1.032 818 R CA 0.265 56.539 56.100 0.291 0.000 1.049 818 R CB 0.387 30.841 30.300 0.256 0.000 0.956 818 R HN 0.542 nan 8.270 nan 0.000 0.422 819 L N 5.075 126.362 121.223 0.107 0.000 2.316 819 L HA 0.211 4.551 4.340 -0.001 0.000 0.280 819 L C 0.219 177.086 176.870 -0.004 0.000 1.006 819 L CA -0.670 54.191 54.840 0.035 0.000 0.836 819 L CB 1.938 43.992 42.059 -0.009 0.000 1.221 819 L HN 0.651 nan 8.230 nan 0.000 0.418 820 D N 1.653 122.057 120.400 0.006 0.000 2.348 820 D HA -0.124 4.516 4.640 -0.001 0.000 0.216 820 D C 1.761 178.048 176.300 -0.022 0.000 0.970 820 D CA 0.821 54.819 54.000 -0.003 0.000 0.889 820 D CB 0.356 41.162 40.800 0.011 0.000 0.912 820 D HN 0.558 nan 8.370 nan 0.000 0.524 821 K N 0.278 120.657 120.400 -0.034 0.000 2.439 821 K HA -0.015 4.304 4.320 -0.001 0.000 0.197 821 K C 0.692 177.237 176.600 -0.092 0.000 1.041 821 K CA 0.423 56.686 56.287 -0.040 0.000 0.970 821 K CB 0.237 32.729 32.500 -0.015 0.000 0.773 821 K HN 0.109 nan 8.250 nan 0.000 0.479 822 L N 2.325 123.454 121.223 -0.156 0.000 2.334 822 L HA 0.454 4.794 4.340 -0.001 0.000 0.272 822 L C -2.209 174.561 176.870 -0.166 0.000 1.020 822 L CA -2.932 51.775 54.840 -0.221 0.000 0.812 822 L CB 1.307 43.134 42.059 -0.387 0.000 1.264 822 L HN -0.037 nan 8.230 nan 0.000 0.439 823 P HA 0.034 nan 4.420 nan 0.000 0.272 823 P C 0.853 178.035 177.300 -0.197 0.000 1.240 823 P CA -0.416 62.594 63.100 -0.150 0.000 0.791 823 P CB 1.238 32.874 31.700 -0.106 0.000 0.978 824 L N 0.807 121.943 121.223 -0.146 0.000 2.021 824 L HA -0.283 4.057 4.340 -0.001 0.000 0.215 824 L C 2.515 179.306 176.870 -0.132 0.000 1.074 824 L CA 1.968 56.746 54.840 -0.104 0.000 0.760 824 L CB -0.664 41.329 42.059 -0.111 0.000 0.889 824 L HN 0.432 nan 8.230 nan 0.000 0.433 825 Q N -0.359 119.255 119.800 -0.309 0.000 2.291 825 Q HA -0.163 4.177 4.340 -0.001 0.000 0.205 825 Q C 1.875 177.775 176.000 -0.167 0.000 0.970 825 Q CA 1.467 57.122 55.803 -0.248 0.000 0.876 825 Q CB -0.511 28.003 28.738 -0.373 0.000 0.935 825 Q HN 0.611 nan 8.270 nan 0.000 0.455 826 A N 1.532 124.042 122.820 -0.516 0.000 2.067 826 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 826 A C 1.643 179.039 177.584 -0.313 0.000 1.156 826 A CA 0.802 52.371 52.037 -0.780 0.000 0.683 826 A CB -0.192 18.030 19.000 -1.296 0.000 0.808 826 A HN 0.353 nan 8.150 nan 0.000 0.455 827 N N -1.218 117.416 118.700 -0.109 0.000 2.336 827 N HA 0.056 4.796 4.740 -0.001 0.000 0.189 827 N C -0.841 174.760 175.510 0.153 0.000 1.113 827 N CA 0.190 53.293 53.050 0.088 0.000 0.858 827 N CB 0.068 38.655 38.487 0.168 0.000 0.970 827 N HN 0.461 nan 8.380 nan 0.000 0.471 828 Y N 0.285 120.535 120.300 -0.083 0.000 2.304 828 Y HA 0.209 4.758 4.550 -0.001 0.000 0.328 828 Y C -0.196 175.643 175.900 -0.101 0.000 1.123 828 Y CA -0.088 58.044 58.100 0.053 0.000 1.218 828 Y CB 0.410 38.972 38.460 0.171 0.000 1.207 828 Y HN -0.066 nan 8.280 nan 0.000 0.495 829 Y N 3.300 123.738 120.300 0.230 0.000 2.605 829 Y HA 0.442 4.992 4.550 -0.001 0.000 0.343 829 Y C -2.300 173.296 175.900 -0.507 0.000 1.036 829 Y CA -2.843 55.238 58.100 -0.031 0.000 1.065 829 Y CB 1.668 40.112 38.460 -0.027 0.000 1.288 829 Y HN 0.436 nan 8.280 nan 0.000 0.481 830 P HA 0.136 nan 4.420 nan 0.000 0.271 830 P C -0.647 176.413 177.300 -0.399 0.000 1.216 830 P CA 0.196 62.715 63.100 -0.969 0.000 0.776 830 P CB 0.684 31.699 31.700 -1.142 0.000 0.881 831 I N 4.758 125.179 120.570 -0.248 0.000 2.620 831 I HA 0.172 4.341 4.170 -0.001 0.000 0.280 831 I C -1.721 174.332 176.117 -0.106 0.000 1.143 831 I CA -2.500 58.726 61.300 -0.123 0.000 1.163 831 I CB 0.772 38.757 38.000 -0.025 0.000 1.461 831 I HN 0.190 nan 8.210 nan 0.000 0.530 832 P HA -0.043 nan 4.420 nan 0.000 0.225 832 P C 1.024 178.302 177.300 -0.036 0.000 1.156 832 P CA 1.147 64.184 63.100 -0.105 0.000 0.787 832 P CB 0.578 32.188 31.700 -0.151 0.000 0.802 833 S N -3.585 112.096 115.700 -0.032 0.000 2.551 833 S HA 0.482 4.951 4.470 -0.001 0.000 0.276 833 S C 0.565 175.257 174.600 0.154 0.000 1.051 833 S CA 0.312 58.551 58.200 0.065 0.000 1.377 833 S CB 0.314 63.576 63.200 0.103 0.000 1.208 833 S HN 0.337 nan 8.310 nan 0.000 0.656 834 G N 1.517 110.406 108.800 0.149 0.000 2.368 834 G HA2 0.536 4.496 3.960 -0.001 0.000 0.293 834 G HA3 0.536 4.496 3.960 -0.001 0.000 0.293 834 G C -1.537 173.611 174.900 0.412 0.000 1.467 834 G CA -0.416 44.893 45.100 0.349 0.000 0.804 834 G HN 0.892 nan 8.290 nan 0.000 0.535 835 M N -0.686 119.183 119.600 0.449 0.000 2.520 835 M HA 0.888 5.367 4.480 -0.001 0.000 0.280 835 M C -1.684 174.859 176.300 0.405 0.000 1.232 835 M CA -1.026 54.499 55.300 0.376 0.000 0.892 835 M CB 2.526 35.255 32.600 0.214 0.000 1.728 835 M HN 1.193 nan 8.290 nan 0.000 0.475 836 F N 0.978 121.082 119.950 0.256 0.000 2.645 836 F HA 0.911 5.437 4.527 -0.001 0.000 0.310 836 F C -1.702 174.236 175.800 0.230 0.000 1.102 836 F CA -1.197 56.891 58.000 0.146 0.000 0.952 836 F CB 1.177 40.170 39.000 -0.011 0.000 1.326 836 F HN 0.776 nan 8.300 nan 0.000 0.456 837 I N -0.080 120.727 120.570 0.395 0.000 2.785 837 I HA 0.884 5.054 4.170 -0.001 0.000 0.302 837 I C -1.385 174.923 176.117 0.317 0.000 1.069 837 I CA -0.879 60.617 61.300 0.327 0.000 1.045 837 I CB 2.385 40.496 38.000 0.184 0.000 1.236 837 I HN 0.950 nan 8.210 nan 0.000 0.429 838 E N 2.138 122.508 120.200 0.284 0.000 2.412 838 E HA 0.543 4.893 4.350 -0.001 0.000 0.279 838 E C -2.029 174.657 176.600 0.144 0.000 0.984 838 E CA -0.838 55.672 56.400 0.183 0.000 0.788 838 E CB 2.234 32.033 29.700 0.166 0.000 1.277 838 E HN 0.740 nan 8.360 nan 0.000 0.455 839 D N 0.757 121.211 120.400 0.090 0.000 2.723 839 D HA 0.453 5.092 4.640 -0.001 0.000 0.247 839 D C 0.942 177.272 176.300 0.051 0.000 1.134 839 D CA -0.171 53.873 54.000 0.073 0.000 1.099 839 D CB -0.046 40.789 40.800 0.059 0.000 1.287 839 D HN 0.449 nan 8.370 nan 0.000 0.634 840 A N -0.695 122.148 122.820 0.038 0.000 1.978 840 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 840 A C 1.554 179.143 177.584 0.009 0.000 1.170 840 A CA 1.616 53.667 52.037 0.024 0.000 0.636 840 A CB -0.728 18.284 19.000 0.020 0.000 0.810 840 A HN 0.519 nan 8.150 nan 0.000 0.448 841 N N -1.771 116.935 118.700 0.009 0.000 2.397 841 N HA 0.070 4.810 4.740 -0.001 0.000 0.190 841 N C -0.401 175.102 175.510 -0.012 0.000 1.099 841 N CA 0.789 53.837 53.050 -0.003 0.000 0.876 841 N CB 0.592 39.080 38.487 0.001 0.000 1.143 841 N HN 0.314 nan 8.380 nan 0.000 0.468 842 T N 0.593 115.146 114.554 -0.002 0.000 2.893 842 T HA 0.454 4.803 4.350 -0.001 0.000 0.293 842 T C -0.583 174.114 174.700 -0.006 0.000 1.027 842 T CA -0.665 61.429 62.100 -0.010 0.000 0.988 842 T CB 2.860 71.730 68.868 0.003 0.000 1.043 842 T HN -0.035 nan 8.240 nan 0.000 0.461 843 R N 2.016 122.495 120.500 -0.034 0.000 2.686 843 R HA 0.719 5.058 4.340 -0.001 0.000 0.283 843 R C -1.956 174.325 176.300 -0.031 0.000 0.978 843 R CA -0.904 55.178 56.100 -0.031 0.000 0.897 843 R CB 1.324 31.541 30.300 -0.139 0.000 1.192 843 R HN 0.461 nan 8.270 nan 0.000 0.457 844 L N 2.751 123.986 121.223 0.021 0.000 2.325 844 L HA 0.498 4.837 4.340 -0.001 0.000 0.281 844 L C -1.281 175.634 176.870 0.075 0.000 1.004 844 L CA 0.085 54.932 54.840 0.011 0.000 0.823 844 L CB 2.220 44.274 42.059 -0.009 0.000 1.236 844 L HN 0.644 nan 8.230 nan 0.000 0.415 845 T N 5.749 120.327 114.554 0.040 0.000 2.807 845 T HA 0.549 4.898 4.350 -0.001 0.000 0.279 845 T C -0.987 173.781 174.700 0.114 0.000 0.993 845 T CA -0.267 61.896 62.100 0.105 0.000 0.970 845 T CB 1.355 70.214 68.868 -0.015 0.000 0.950 845 T HN 0.457 nan 8.240 nan 0.000 0.441 846 L N 5.190 126.516 121.223 0.172 0.000 2.298 846 L HA 0.529 4.869 4.340 -0.001 0.000 0.284 846 L C -1.249 175.772 176.870 0.251 0.000 1.013 846 L CA -0.707 54.245 54.840 0.187 0.000 0.824 846 L CB 0.500 42.648 42.059 0.148 0.000 1.221 846 L HN 0.410 nan 8.230 nan 0.000 0.418 847 L N 3.837 125.210 121.223 0.251 0.000 2.325 847 L HA 0.581 4.920 4.340 -0.001 0.000 0.279 847 L C 0.460 177.489 176.870 0.264 0.000 1.054 847 L CA -0.126 54.862 54.840 0.247 0.000 0.804 847 L CB 1.234 43.406 42.059 0.188 0.000 1.200 847 L HN 0.633 nan 8.230 nan 0.000 0.436 848 T N 0.249 114.913 114.554 0.183 0.000 2.887 848 T HA 0.617 4.966 4.350 -0.001 0.000 0.288 848 T C 0.743 175.417 174.700 -0.042 0.000 1.021 848 T CA -0.166 61.966 62.100 0.053 0.000 1.000 848 T CB 1.616 70.539 68.868 0.092 0.000 1.034 848 T HN 0.773 nan 8.240 nan 0.000 0.467 849 G N 2.658 111.356 108.800 -0.169 0.000 3.284 849 G HA2 0.339 4.299 3.960 -0.001 0.000 0.236 849 G HA3 0.339 4.299 3.960 -0.001 0.000 0.236 849 G C 0.020 174.860 174.900 -0.100 0.000 1.158 849 G CA -0.188 44.843 45.100 -0.114 0.000 0.774 849 G HN 0.725 nan 8.290 nan 0.000 0.545 850 Q N -0.192 119.544 119.800 -0.107 0.000 2.479 850 Q HA 0.305 4.645 4.340 -0.001 0.000 0.276 850 Q C -3.534 172.433 176.000 -0.055 0.000 0.989 850 Q CA -2.374 53.389 55.803 -0.066 0.000 0.864 850 Q CB 1.898 30.610 28.738 -0.043 0.000 1.444 850 Q HN -0.012 nan 8.270 nan 0.000 0.388 851 P HA 0.450 nan 4.420 nan 0.000 0.281 851 P C -0.699 176.593 177.300 -0.013 0.000 1.252 851 P CA -0.134 62.954 63.100 -0.021 0.000 0.778 851 P CB 0.972 32.667 31.700 -0.009 0.000 0.895 852 L N 1.781 122.992 121.223 -0.021 0.000 2.403 852 L HA 0.692 5.031 4.340 -0.001 0.000 0.253 852 L C 0.767 177.657 176.870 0.034 0.000 1.045 852 L CA -1.153 53.697 54.840 0.017 0.000 0.845 852 L CB 1.992 44.047 42.059 -0.006 0.000 1.447 852 L HN 0.324 nan 8.230 nan 0.000 0.411 853 G N -1.023 107.854 108.800 0.128 0.000 2.400 853 G HA2 0.678 4.638 3.960 -0.001 0.000 0.301 853 G HA3 0.678 4.638 3.960 -0.001 0.000 0.301 853 G C -0.533 174.396 174.900 0.048 0.000 1.154 853 G CA 0.065 45.295 45.100 0.216 0.000 0.852 853 G HN 0.869 nan 8.290 nan 0.000 0.511 854 G N -1.405 107.240 108.800 -0.259 0.000 2.550 854 G HA2 0.677 4.637 3.960 -0.001 0.000 0.293 854 G HA3 0.677 4.637 3.960 -0.001 0.000 0.293 854 G C -1.218 173.236 174.900 -0.743 0.000 1.402 854 G CA 0.387 45.139 45.100 -0.579 0.000 0.784 854 G HN 1.264 nan 8.290 nan 0.000 0.482 855 S N -1.853 113.461 115.700 -0.642 0.000 2.661 855 S HA 0.721 5.190 4.470 -0.001 0.000 0.268 855 S C -1.529 172.616 174.600 -0.759 0.000 1.162 855 S CA 0.290 58.103 58.200 -0.644 0.000 0.817 855 S CB 1.368 64.253 63.200 -0.525 0.000 1.141 855 S HN 1.529 nan 8.310 nan 0.000 0.477 856 S N 1.746 116.704 115.700 -1.236 0.000 2.653 856 S HA 0.484 4.953 4.470 -0.001 0.000 0.272 856 S C 0.193 174.537 174.600 -0.426 0.000 1.221 856 S CA -0.643 57.106 58.200 -0.751 0.000 1.149 856 S CB -0.055 62.669 63.200 -0.794 0.000 1.029 856 S HN 0.582 nan 8.310 nan 0.000 0.481 857 L N 3.141 124.253 121.223 -0.185 0.000 2.558 857 L HA 0.481 4.821 4.340 -0.001 0.000 0.225 857 L C 0.865 177.724 176.870 -0.018 0.000 1.128 857 L CA 0.239 55.051 54.840 -0.047 0.000 0.868 857 L CB -0.011 42.079 42.059 0.051 0.000 1.006 857 L HN 0.695 nan 8.230 nan 0.000 0.454 858 A N -1.226 121.571 122.820 -0.039 0.000 2.604 858 A HA 0.460 4.779 4.320 -0.001 0.000 0.295 858 A C -0.453 177.125 177.584 -0.010 0.000 1.067 858 A CA -0.436 51.595 52.037 -0.010 0.000 0.683 858 A CB 1.234 20.232 19.000 -0.004 0.000 1.281 858 A HN -0.141 nan 8.150 nan 0.000 0.407 859 S N -0.144 115.563 115.700 0.013 0.000 2.558 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 859 S C 1.539 176.152 174.600 0.022 0.000 1.292 859 S CA 1.906 60.122 58.200 0.026 0.000 1.063 859 S CB -0.056 63.163 63.200 0.032 0.000 0.831 859 S HN 2.648 nan 8.310 nan 0.000 0.499 860 G N 3.412 112.230 108.800 0.030 0.000 2.179 860 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.260 860 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.260 860 G C -0.155 174.738 174.900 -0.010 0.000 0.977 860 G CA 0.510 45.626 45.100 0.026 0.000 0.641 860 G HN 0.718 nan 8.290 nan 0.000 0.533 861 E N -0.443 119.737 120.200 -0.033 0.000 2.212 861 E HA 0.759 5.109 4.350 -0.001 0.000 0.270 861 E C -0.157 176.383 176.600 -0.100 0.000 0.956 861 E CA -0.707 55.652 56.400 -0.068 0.000 0.825 861 E CB 1.758 31.417 29.700 -0.068 0.000 1.167 861 E HN 0.245 nan 8.360 nan 0.000 0.400 862 L N 1.853 123.013 121.223 -0.105 0.000 2.401 862 L HA 0.472 4.811 4.340 -0.001 0.000 0.266 862 L C -0.568 176.236 176.870 -0.110 0.000 0.991 862 L CA -0.633 54.135 54.840 -0.119 0.000 0.818 862 L CB 1.985 44.004 42.059 -0.067 0.000 1.321 862 L HN 0.668 nan 8.230 nan 0.000 0.413 863 E N 2.943 123.067 120.200 -0.127 0.000 2.390 863 E HA 0.695 5.044 4.350 -0.001 0.000 0.277 863 E C -1.568 174.986 176.600 -0.076 0.000 0.939 863 E CA -0.836 55.522 56.400 -0.070 0.000 0.769 863 E CB 3.360 33.063 29.700 0.006 0.000 1.251 863 E HN 0.530 nan 8.360 nan 0.000 0.450 864 I N 2.249 122.814 120.570 -0.008 0.000 2.571 864 I HA 0.317 4.487 4.170 -0.001 0.000 0.289 864 I C -1.354 174.832 176.117 0.116 0.000 1.115 864 I CA -1.117 60.201 61.300 0.030 0.000 1.045 864 I CB 1.930 39.951 38.000 0.034 0.000 1.238 864 I HN 0.773 nan 8.210 nan 0.000 0.424 865 M N 6.301 126.006 119.600 0.175 0.000 2.228 865 M HA 0.212 4.692 4.480 -0.001 0.000 0.351 865 M C 0.580 176.984 176.300 0.174 0.000 1.233 865 M CA 0.650 56.063 55.300 0.188 0.000 1.129 865 M CB 0.899 33.585 32.600 0.143 0.000 1.604 865 M HN 0.579 nan 8.290 nan 0.000 0.457 866 Q N 1.415 121.352 119.800 0.230 0.000 2.287 866 Q HA 0.259 4.599 4.340 -0.001 0.000 0.201 866 Q C -0.263 175.951 176.000 0.358 0.000 0.946 866 Q CA 0.825 56.831 55.803 0.338 0.000 0.868 866 Q CB 0.399 29.371 28.738 0.391 0.000 0.967 866 Q HN 0.766 nan 8.270 nan 0.000 0.516 867 D N -0.922 119.621 120.400 0.239 0.000 2.671 867 D HA 0.286 4.925 4.640 -0.001 0.000 0.273 867 D C -1.438 174.941 176.300 0.132 0.000 1.264 867 D CA -0.484 53.633 54.000 0.194 0.000 0.788 867 D CB 1.448 42.356 40.800 0.180 0.000 1.324 867 D HN 0.040 nan 8.370 nan 0.000 0.424 868 R N 0.821 121.386 120.500 0.108 0.000 2.584 868 R HA 0.692 5.031 4.340 -0.001 0.000 0.276 868 R C -1.049 175.300 176.300 0.081 0.000 1.046 868 R CA -1.052 55.096 56.100 0.079 0.000 0.906 868 R CB 2.146 32.465 30.300 0.032 0.000 1.215 868 R HN 0.319 nan 8.270 nan 0.000 0.449 869 R N 3.799 124.344 120.500 0.075 0.000 2.451 869 R HA 0.479 4.819 4.340 -0.001 0.000 0.307 869 R C -1.497 174.840 176.300 0.061 0.000 0.965 869 R CA -0.567 55.573 56.100 0.067 0.000 0.865 869 R CB 1.299 31.635 30.300 0.061 0.000 1.174 869 R HN 0.718 nan 8.270 nan 0.000 0.455 870 L N 3.906 125.162 121.223 0.056 0.000 2.409 870 L HA 0.526 4.866 4.340 -0.001 0.000 0.272 870 L C 0.661 177.556 176.870 0.042 0.000 0.980 870 L CA -0.578 54.292 54.840 0.050 0.000 0.826 870 L CB 2.172 44.262 42.059 0.051 0.000 1.268 870 L HN 0.807 nan 8.230 nan 0.000 0.407 871 A N 1.555 124.396 122.820 0.036 0.000 2.072 871 A HA 0.175 4.494 4.320 -0.001 0.000 0.216 871 A C 0.922 178.523 177.584 0.028 0.000 1.156 871 A CA 0.606 52.661 52.037 0.030 0.000 0.701 871 A CB 0.044 19.059 19.000 0.025 0.000 0.816 871 A HN 0.608 nan 8.150 nan 0.000 0.458 872 S N -0.072 115.645 115.700 0.028 0.000 2.593 872 S HA 0.419 4.889 4.470 -0.001 0.000 0.297 872 S C -0.670 173.949 174.600 0.031 0.000 1.112 872 S CA -0.655 57.560 58.200 0.024 0.000 1.043 872 S CB 1.488 64.698 63.200 0.017 0.000 1.054 872 S HN 0.475 nan 8.310 nan 0.000 0.516 873 D N 0.381 120.799 120.400 0.031 0.000 2.304 873 D HA 0.228 4.867 4.640 -0.001 0.000 0.247 873 D C -0.170 176.147 176.300 0.030 0.000 1.089 873 D CA -0.393 53.633 54.000 0.043 0.000 0.910 873 D CB 0.683 41.507 40.800 0.041 0.000 1.199 873 D HN 0.499 nan 8.370 nan 0.000 0.426 874 D N 1.945 122.368 120.400 0.037 0.000 2.525 874 D HA 0.073 4.712 4.640 -0.001 0.000 0.229 874 D C -0.353 175.911 176.300 -0.059 0.000 1.202 874 D CA -0.292 53.698 54.000 -0.016 0.000 0.828 874 D CB -0.438 40.342 40.800 -0.034 0.000 1.008 874 D HN 0.686 nan 8.370 nan 0.000 0.493 875 E N -0.429 119.760 120.200 -0.018 0.000 2.868 875 E HA -0.219 4.131 4.350 -0.001 0.000 0.278 875 E C 0.322 176.890 176.600 -0.053 0.000 1.009 875 E CA 0.240 56.626 56.400 -0.023 0.000 0.856 875 E CB -0.760 28.923 29.700 -0.029 0.000 1.428 875 E HN 0.191 nan 8.360 nan 0.000 0.423 876 R N -0.567 119.872 120.500 -0.101 0.000 2.509 876 R HA 0.229 4.569 4.340 -0.001 0.000 0.300 876 R C 1.378 177.727 176.300 0.083 0.000 0.985 876 R CA 0.713 56.676 56.100 -0.228 0.000 1.092 876 R CB 1.018 30.743 30.300 -0.959 0.000 1.237 876 R HN 0.405 nan 8.270 nan 0.000 0.546 877 G N 0.638 109.575 108.800 0.228 0.000 2.218 877 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.216 877 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.216 877 G C 0.741 175.768 174.900 0.211 0.000 0.994 877 G CA 0.194 45.521 45.100 0.378 0.000 0.637 877 G HN 0.282 nan 8.290 nan 0.000 0.505 878 L N 1.534 122.958 121.223 0.335 0.000 2.093 878 L HA 0.443 4.783 4.340 -0.001 0.000 0.208 878 L C 2.215 179.074 176.870 -0.018 0.000 1.085 878 L CA 2.857 57.776 54.840 0.132 0.000 0.755 878 L CB -0.645 41.633 42.059 0.365 0.000 0.904 878 L HN 1.722 nan 8.230 nan 0.000 0.435 879 G N -0.468 108.357 108.800 0.041 0.000 2.176 879 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 879 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 879 G C 0.062 174.970 174.900 0.013 0.000 1.024 879 G CA 0.627 45.733 45.100 0.010 0.000 0.755 879 G HN 0.797 nan 8.290 nan 0.000 0.507 880 Q N -1.961 117.861 119.800 0.036 0.000 2.633 880 Q HA 0.684 5.023 4.340 -0.001 0.000 0.289 880 Q C 0.398 176.428 176.000 0.050 0.000 0.940 880 Q CA -0.594 55.230 55.803 0.035 0.000 0.785 880 Q CB 0.506 29.262 28.738 0.030 0.000 1.467 880 Q HN 0.947 nan 8.270 nan 0.000 0.401 881 G N 0.071 108.897 108.800 0.043 0.000 2.494 881 G HA2 0.501 4.461 3.960 -0.001 0.000 0.270 881 G HA3 0.501 4.461 3.960 -0.001 0.000 0.270 881 G C -0.926 174.004 174.900 0.050 0.000 1.423 881 G CA -0.640 44.488 45.100 0.046 0.000 1.055 881 G HN 0.415 nan 8.290 nan 0.000 0.536 882 V N 0.828 120.774 119.914 0.052 0.000 2.284 882 V HA 0.344 4.464 4.120 -0.001 0.000 0.274 882 V C 0.102 176.232 176.094 0.060 0.000 1.023 882 V CA -0.146 62.191 62.300 0.062 0.000 0.808 882 V CB 0.898 32.762 31.823 0.068 0.000 1.035 882 V HN 0.543 nan 8.190 nan 0.000 0.445 883 L N 3.171 124.428 121.223 0.056 0.000 3.184 883 L HA 0.308 4.647 4.340 -0.001 0.000 0.283 883 L C 0.665 177.563 176.870 0.047 0.000 1.218 883 L CA 0.018 54.886 54.840 0.047 0.000 1.028 883 L CB 0.702 42.783 42.059 0.036 0.000 1.400 883 L HN 0.663 nan 8.230 nan 0.000 0.591 884 D N -1.887 118.550 120.400 0.061 0.000 2.491 884 D HA 0.038 4.678 4.640 -0.001 0.000 0.228 884 D C 0.153 176.495 176.300 0.070 0.000 1.183 884 D CA -0.397 53.640 54.000 0.061 0.000 0.827 884 D CB -0.308 40.537 40.800 0.074 0.000 0.989 884 D HN 0.074 nan 8.370 nan 0.000 0.494 885 N N 1.967 120.707 118.700 0.066 0.000 2.345 885 N HA 0.028 4.768 4.740 -0.001 0.000 0.243 885 N C 0.306 175.828 175.510 0.019 0.000 1.246 885 N CA 0.648 53.737 53.050 0.066 0.000 0.863 885 N CB 0.844 39.369 38.487 0.062 0.000 1.096 885 N HN 0.434 nan 8.380 nan 0.000 0.446 886 K N 0.131 120.530 120.400 -0.001 0.000 2.508 886 K HA 0.530 4.849 4.320 -0.001 0.000 0.260 886 K C -3.238 173.338 176.600 -0.040 0.000 0.949 886 K CA -1.909 54.332 56.287 -0.076 0.000 0.834 886 K CB 1.361 33.726 32.500 -0.226 0.000 1.365 886 K HN 0.082 nan 8.250 nan 0.000 0.437 887 P HA -0.038 nan 4.420 nan 0.000 0.264 887 P C -1.022 176.307 177.300 0.048 0.000 1.183 887 P CA -0.409 62.680 63.100 -0.018 0.000 0.763 887 P CB 0.711 32.391 31.700 -0.034 0.000 0.807 888 V N 5.110 125.022 119.914 -0.004 0.000 2.760 888 V HA 0.452 4.572 4.120 -0.001 0.000 0.309 888 V C -1.326 174.653 176.094 -0.191 0.000 1.077 888 V CA -1.096 61.181 62.300 -0.038 0.000 0.910 888 V CB 2.110 33.889 31.823 -0.074 0.000 1.008 888 V HN 0.275 nan 8.190 nan 0.000 0.424 889 L N 7.121 128.262 121.223 -0.137 0.000 2.270 889 L HA 0.583 4.923 4.340 -0.001 0.000 0.286 889 L C -0.305 176.544 176.870 -0.035 0.000 1.059 889 L CA 0.160 54.947 54.840 -0.088 0.000 0.839 889 L CB 0.229 42.262 42.059 -0.042 0.000 1.221 889 L HN 0.696 nan 8.230 nan 0.000 0.431 890 H N 5.657 124.749 119.070 0.036 0.000 2.582 890 H HA 0.466 5.022 4.556 -0.001 0.000 0.345 890 H C -0.071 175.154 175.328 -0.171 0.000 1.104 890 H CA -0.193 55.814 56.048 -0.069 0.000 1.390 890 H CB 1.169 30.958 29.762 0.045 0.000 1.461 890 H HN 0.683 nan 8.280 nan 0.000 0.551 891 I N 0.234 120.637 120.570 -0.278 0.000 2.689 891 I HA 0.607 4.777 4.170 -0.001 0.000 0.299 891 I C -1.402 174.385 176.117 -0.550 0.000 1.059 891 I CA -0.942 60.213 61.300 -0.242 0.000 1.055 891 I CB 2.110 40.063 38.000 -0.079 0.000 1.243 891 I HN 0.254 nan 8.210 nan 0.000 0.425 892 Y N 2.615 122.969 120.300 0.090 0.000 2.625 892 Y HA 0.683 5.232 4.550 -0.001 0.000 0.338 892 Y C -0.618 175.339 175.900 0.095 0.000 1.123 892 Y CA -1.090 57.070 58.100 0.100 0.000 1.046 892 Y CB 1.696 40.235 38.460 0.132 0.000 1.299 892 Y HN 0.419 nan 8.280 nan 0.000 0.464 893 R N 1.453 122.120 120.500 0.278 0.000 2.686 893 R HA 0.598 4.938 4.340 -0.001 0.000 0.286 893 R C -1.931 174.485 176.300 0.194 0.000 0.969 893 R CA -1.144 55.073 56.100 0.194 0.000 0.898 893 R CB 2.610 32.985 30.300 0.124 0.000 1.183 893 R HN 0.634 nan 8.270 nan 0.000 0.456 894 L N 2.522 123.840 121.223 0.158 0.000 2.316 894 L HA 0.428 4.768 4.340 -0.001 0.000 0.280 894 L C -1.214 175.690 176.870 0.056 0.000 1.006 894 L CA -0.567 54.342 54.840 0.116 0.000 0.836 894 L CB 1.799 43.939 42.059 0.135 0.000 1.221 894 L HN 0.311 nan 8.230 nan 0.000 0.418 895 V N 6.239 126.170 119.914 0.029 0.000 2.350 895 V HA 0.402 4.522 4.120 -0.001 0.000 0.285 895 V C -0.336 175.737 176.094 -0.035 0.000 1.014 895 V CA -0.582 61.715 62.300 -0.005 0.000 0.831 895 V CB 1.398 33.211 31.823 -0.016 0.000 1.000 895 V HN 0.638 nan 8.190 nan 0.000 0.433 896 L N 5.406 126.603 121.223 -0.043 0.000 2.275 896 L HA 0.679 5.018 4.340 -0.001 0.000 0.288 896 L C -0.145 176.689 176.870 -0.061 0.000 1.046 896 L CA 0.652 55.458 54.840 -0.056 0.000 0.805 896 L CB 1.071 43.093 42.059 -0.063 0.000 1.193 896 L HN 0.724 nan 8.230 nan 0.000 0.426 897 E N 3.712 123.870 120.200 -0.070 0.000 2.356 897 E HA 0.409 4.759 4.350 -0.001 0.000 0.275 897 E C -1.238 175.320 176.600 -0.070 0.000 0.904 897 E CA -1.189 55.165 56.400 -0.077 0.000 0.757 897 E CB 1.594 31.231 29.700 -0.105 0.000 1.232 897 E HN 0.276 nan 8.360 nan 0.000 0.442 898 K N 1.483 121.846 120.400 -0.063 0.000 2.297 898 K HA 0.166 4.486 4.320 -0.001 0.000 0.286 898 K C 0.452 177.012 176.600 -0.067 0.000 1.053 898 K CA -0.089 56.166 56.287 -0.055 0.000 0.940 898 K CB 1.147 33.620 32.500 -0.045 0.000 1.019 898 K HN 0.471 nan 8.250 nan 0.000 0.475 899 V N -0.398 119.478 119.914 -0.063 0.000 3.253 899 V HA 0.014 4.133 4.120 -0.001 0.000 0.320 899 V C 1.227 177.289 176.094 -0.054 0.000 1.442 899 V CA -0.296 61.958 62.300 -0.075 0.000 1.097 899 V CB -0.287 31.475 31.823 -0.101 0.000 1.008 899 V HN 0.613 nan 8.190 nan 0.000 0.463 900 N N 1.637 120.313 118.700 -0.039 0.000 2.272 900 N HA -0.208 4.531 4.740 -0.001 0.000 0.185 900 N C 1.048 176.540 175.510 -0.031 0.000 1.014 900 N CA 1.852 54.885 53.050 -0.028 0.000 0.870 900 N CB -0.513 37.962 38.487 -0.021 0.000 0.975 900 N HN 0.548 nan 8.380 nan 0.000 0.433 901 N N -0.027 118.650 118.700 -0.039 0.000 2.299 901 N HA 0.075 4.814 4.740 -0.001 0.000 0.187 901 N C -0.238 175.242 175.510 -0.049 0.000 1.099 901 N CA -0.107 52.919 53.050 -0.040 0.000 0.867 901 N CB 0.091 38.554 38.487 -0.041 0.000 0.974 901 N HN 0.212 nan 8.380 nan 0.000 0.477 902 c N 1.381 119.946 118.600 -0.059 0.000 2.601 902 c HA 0.243 4.812 4.570 -0.001 0.000 0.409 902 c C 1.044 175.097 174.090 -0.062 0.000 1.293 902 c CA -0.932 55.353 56.329 -0.073 0.000 2.101 902 c CB 0.659 43.112 42.510 -0.095 0.000 2.639 902 c HN 0.010 nan 8.230 nan 0.000 0.592 903 V N 5.709 125.582 119.914 -0.068 0.000 2.387 903 V HA 0.209 4.329 4.120 -0.001 0.000 0.260 903 V C 0.643 176.699 176.094 -0.063 0.000 1.054 903 V CA 0.408 62.671 62.300 -0.060 0.000 0.967 903 V CB -0.630 31.153 31.823 -0.067 0.000 1.036 903 V HN 0.787 nan 8.190 nan 0.000 0.481 904 R N 4.613 125.088 120.500 -0.040 0.000 2.720 904 R HA 0.546 4.885 4.340 -0.001 0.000 0.272 904 R C -2.447 173.847 176.300 -0.010 0.000 0.991 904 R CA -1.865 54.219 56.100 -0.026 0.000 1.010 904 R CB 1.274 31.563 30.300 -0.018 0.000 1.141 904 R HN 0.402 nan 8.270 nan 0.000 0.494 905 P HA -0.037 nan 4.420 nan 0.000 0.270 905 P C -0.386 176.954 177.300 0.067 0.000 1.223 905 P CA -0.198 62.889 63.100 -0.020 0.000 0.785 905 P CB 0.561 32.172 31.700 -0.147 0.000 0.923 906 S N 0.867 116.635 115.700 0.114 0.000 2.596 906 S HA 0.081 4.551 4.470 -0.001 0.000 0.260 906 S C 1.034 175.716 174.600 0.137 0.000 1.336 906 S CA -0.158 58.110 58.200 0.114 0.000 0.993 906 S CB 0.308 63.575 63.200 0.113 0.000 0.923 906 S HN 0.302 nan 8.310 nan 0.000 0.567 907 K N 0.239 120.700 120.400 0.102 0.000 2.280 907 K HA 0.061 4.380 4.320 -0.001 0.000 0.202 907 K C 1.418 178.074 176.600 0.093 0.000 1.047 907 K CA 1.133 57.478 56.287 0.095 0.000 0.942 907 K CB -0.520 32.020 32.500 0.067 0.000 0.739 907 K HN 0.534 nan 8.250 nan 0.000 0.457 908 L N -0.113 121.168 121.223 0.097 0.000 2.567 908 L HA 0.042 4.382 4.340 -0.001 0.000 0.225 908 L C 0.938 177.859 176.870 0.085 0.000 1.119 908 L CA -0.236 54.645 54.840 0.068 0.000 0.871 908 L CB -0.147 41.938 42.059 0.043 0.000 1.036 908 L HN 0.252 nan 8.230 nan 0.000 0.459 909 H N 2.467 121.576 119.070 0.064 0.000 2.803 909 H HA 0.092 4.648 4.556 -0.001 0.000 0.330 909 H C -1.733 173.637 175.328 0.070 0.000 1.057 909 H CA -1.396 54.703 56.048 0.085 0.000 1.458 909 H CB 1.791 31.630 29.762 0.128 0.000 1.470 909 H HN -0.080 nan 8.280 nan 0.000 0.560 910 P HA 0.139 nan 4.420 nan 0.000 0.249 910 P C -0.418 176.987 177.300 0.175 0.000 1.229 910 P CA 0.174 63.310 63.100 0.060 0.000 0.788 910 P CB 0.482 32.147 31.700 -0.059 0.000 1.072 911 A N -0.327 122.763 122.820 0.450 0.000 2.299 911 A HA 0.758 5.078 4.320 -0.001 0.000 0.332 911 A C 0.285 177.932 177.584 0.105 0.000 1.131 911 A CA -0.330 51.843 52.037 0.226 0.000 0.844 911 A CB 1.042 20.156 19.000 0.191 0.000 1.251 911 A HN 0.163 nan 8.150 nan 0.000 0.486 912 G N -1.381 107.356 108.800 -0.105 0.000 2.658 912 G HA2 0.637 4.597 3.960 -0.001 0.000 0.292 912 G HA3 0.637 4.597 3.960 -0.001 0.000 0.292 912 G C -1.761 172.779 174.900 -0.601 0.000 1.320 912 G CA -0.434 44.504 45.100 -0.270 0.000 0.933 912 G HN 0.557 nan 8.290 nan 0.000 0.476 913 Y N -0.834 119.424 120.300 -0.071 0.000 2.524 913 Y HA 0.476 5.025 4.550 -0.001 0.000 0.347 913 Y C 0.364 176.021 175.900 -0.404 0.000 1.005 913 Y CA -0.933 57.061 58.100 -0.177 0.000 1.025 913 Y CB 2.144 40.494 38.460 -0.183 0.000 1.275 913 Y HN 0.323 nan 8.280 nan 0.000 0.460 914 L N 2.151 123.216 121.223 -0.263 0.000 2.464 914 L HA 0.327 4.667 4.340 -0.001 0.000 0.264 914 L C 0.723 177.442 176.870 -0.251 0.000 1.199 914 L CA -0.496 54.112 54.840 -0.387 0.000 0.818 914 L CB 0.771 42.689 42.059 -0.236 0.000 1.102 914 L HN 0.777 nan 8.230 nan 0.000 0.473 915 T N -2.057 112.339 114.554 -0.264 0.000 2.816 915 T HA 0.123 4.473 4.350 -0.001 0.000 0.282 915 T C 1.164 175.813 174.700 -0.086 0.000 0.993 915 T CA -0.608 61.388 62.100 -0.173 0.000 0.994 915 T CB 1.307 70.070 68.868 -0.175 0.000 1.025 915 T HN 0.560 nan 8.240 nan 0.000 0.529 916 S N 0.957 116.618 115.700 -0.065 0.000 2.374 916 S HA -0.129 4.341 4.470 -0.001 0.000 0.227 916 S C 2.494 177.106 174.600 0.020 0.000 1.037 916 S CA 1.261 59.456 58.200 -0.008 0.000 1.024 916 S CB -1.063 62.115 63.200 -0.036 0.000 0.861 916 S HN 0.901 nan 8.310 nan 0.000 0.456 917 A N 1.488 124.296 122.820 -0.020 0.000 1.902 917 A HA 0.079 4.398 4.320 -0.001 0.000 0.217 917 A C 2.364 179.947 177.584 -0.001 0.000 1.181 917 A CA 1.795 53.824 52.037 -0.014 0.000 0.623 917 A CB -1.084 17.897 19.000 -0.032 0.000 0.818 917 A HN 0.535 nan 8.150 nan 0.000 0.443 918 A N -1.471 121.336 122.820 -0.022 0.000 1.930 918 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 918 A C 2.121 179.742 177.584 0.062 0.000 1.175 918 A CA 1.617 53.647 52.037 -0.011 0.000 0.627 918 A CB -0.943 17.996 19.000 -0.102 0.000 0.815 918 A HN 0.776 nan 8.150 nan 0.000 0.443 919 H N 0.055 119.118 119.070 -0.011 0.000 2.321 919 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 919 H C 1.852 177.224 175.328 0.072 0.000 1.087 919 H CA 1.887 57.965 56.048 0.050 0.000 1.319 919 H CB -0.026 29.758 29.762 0.037 0.000 1.379 919 H HN 0.442 nan 8.280 nan 0.000 0.501 920 K N 0.173 120.549 120.400 -0.039 0.000 2.097 920 K HA -0.074 4.246 4.320 -0.001 0.000 0.206 920 K C 2.392 178.968 176.600 -0.039 0.000 1.049 920 K CA 0.834 57.081 56.287 -0.068 0.000 0.933 920 K CB -0.037 32.466 32.500 0.004 0.000 0.717 920 K HN 0.264 nan 8.250 nan 0.000 0.442 921 A N 0.913 123.731 122.820 -0.004 0.000 1.902 921 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 921 A C 2.216 179.813 177.584 0.021 0.000 1.181 921 A CA 2.046 54.095 52.037 0.020 0.000 0.623 921 A CB -0.670 18.354 19.000 0.041 0.000 0.818 921 A HN 0.284 nan 8.150 nan 0.000 0.443 922 S N -0.645 115.070 115.700 0.026 0.000 2.368 922 S HA -0.244 4.226 4.470 -0.001 0.000 0.225 922 S C 2.139 176.736 174.600 -0.005 0.000 1.030 922 S CA 1.745 59.975 58.200 0.050 0.000 0.999 922 S CB -0.423 62.852 63.200 0.125 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.161 119.912 119.800 -0.082 0.000 2.170 923 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 923 Q C 2.359 178.329 176.000 -0.050 0.000 0.976 923 Q CA 1.463 57.223 55.803 -0.072 0.000 0.858 923 Q CB -0.338 28.337 28.738 -0.104 0.000 0.907 923 Q HN 0.541 nan 8.270 nan 0.000 0.433 924 S N 0.084 115.763 115.700 -0.035 0.000 2.447 924 S HA -0.021 4.448 4.470 -0.001 0.000 0.233 924 S C 1.718 176.285 174.600 -0.056 0.000 1.006 924 S CA 0.590 58.768 58.200 -0.037 0.000 0.957 924 S CB 0.073 63.266 63.200 -0.011 0.000 0.773 924 S HN 0.260 nan 8.310 nan 0.000 0.507 925 L N 0.088 121.286 121.223 -0.042 0.000 2.168 925 L HA 0.148 4.487 4.340 -0.001 0.000 0.203 925 L C 2.085 178.903 176.870 -0.088 0.000 1.078 925 L CA 0.728 55.537 54.840 -0.051 0.000 0.780 925 L CB -0.290 41.757 42.059 -0.019 0.000 0.939 925 L HN 0.278 nan 8.230 nan 0.000 0.451 926 L N -1.222 119.953 121.223 -0.079 0.000 2.249 926 L HA 0.042 4.382 4.340 -0.001 0.000 0.207 926 L C 0.164 176.934 176.870 -0.168 0.000 1.090 926 L CA 0.756 55.537 54.840 -0.099 0.000 0.802 926 L CB 0.123 42.148 42.059 -0.058 0.000 0.947 926 L HN 0.193 nan 8.230 nan 0.000 0.453 927 D N 0.479 120.771 120.400 -0.180 0.000 2.613 927 D HA 0.234 4.873 4.640 -0.001 0.000 0.312 927 D C -2.366 173.754 176.300 -0.300 0.000 1.202 927 D CA -1.004 52.834 54.000 -0.271 0.000 0.825 927 D CB 1.347 42.171 40.800 0.040 0.000 1.113 927 D HN 0.049 nan 8.370 nan 0.000 0.502 928 P HA 0.117 nan 4.420 nan 0.000 0.273 928 P C 0.616 177.812 177.300 -0.174 0.000 1.250 928 P CA -0.496 62.463 63.100 -0.236 0.000 0.793 928 P CB 1.503 33.070 31.700 -0.222 0.000 1.011 929 L N 0.843 122.015 121.223 -0.086 0.000 2.514 929 L HA 0.063 4.403 4.340 -0.001 0.000 0.280 929 L C 0.897 177.764 176.870 -0.005 0.000 1.223 929 L CA 0.508 55.338 54.840 -0.017 0.000 0.864 929 L CB -0.346 41.711 42.059 -0.003 0.000 1.118 929 L HN 0.277 nan 8.230 nan 0.000 0.494 930 D N 3.287 123.748 120.400 0.103 0.000 2.210 930 D HA 0.322 4.961 4.640 -0.001 0.000 0.249 930 D C -0.327 175.960 176.300 -0.022 0.000 1.062 930 D CA -0.295 53.703 54.000 -0.003 0.000 0.891 930 D CB 1.681 42.526 40.800 0.075 0.000 1.186 930 D HN 0.374 nan 8.370 nan 0.000 0.432 931 K N 1.486 121.746 120.400 -0.235 0.000 2.345 931 K HA 0.469 4.788 4.320 -0.001 0.000 0.255 931 K C -0.997 175.504 176.600 -0.166 0.000 0.934 931 K CA -0.652 55.626 56.287 -0.015 0.000 0.801 931 K CB 1.569 34.023 32.500 -0.077 0.000 1.137 931 K HN 0.228 nan 8.250 nan 0.000 0.424 932 F N 2.629 122.747 119.950 0.279 0.000 2.520 932 F HA 0.493 5.019 4.527 -0.001 0.000 0.322 932 F C -0.007 176.063 175.800 0.449 0.000 1.103 932 F CA -0.882 57.274 58.000 0.259 0.000 0.926 932 F CB 1.272 40.241 39.000 -0.052 0.000 1.154 932 F HN 0.200 nan 8.300 nan 0.000 0.453 933 I N 3.525 124.466 120.570 0.617 0.000 2.362 933 I HA 0.223 4.393 4.170 -0.001 0.000 0.289 933 I C -0.566 175.843 176.117 0.487 0.000 0.994 933 I CA -0.833 60.763 61.300 0.493 0.000 1.158 933 I CB 1.246 39.436 38.000 0.317 0.000 1.315 933 I HN 0.437 nan 8.210 nan 0.000 0.451 934 F N 5.753 125.872 119.950 0.281 0.000 2.578 934 F HA 0.198 4.724 4.527 -0.001 0.000 0.376 934 F C 1.224 176.948 175.800 -0.126 0.000 1.085 934 F CA 0.147 58.021 58.000 -0.210 0.000 1.260 934 F CB 1.166 40.056 39.000 -0.184 0.000 1.095 934 F HN 0.619 nan 8.300 nan 0.000 0.573 935 A N 4.568 126.845 122.820 -0.905 0.000 1.874 935 A HA -0.004 4.316 4.320 -0.001 0.000 0.214 935 A C 1.007 178.346 177.584 -0.409 0.000 1.189 935 A CA 0.709 52.425 52.037 -0.536 0.000 0.615 935 A CB -0.569 18.086 19.000 -0.575 0.000 0.830 935 A HN 0.799 nan 8.150 nan 0.000 0.443 936 E N -0.388 119.417 120.200 -0.659 0.000 2.376 936 E HA 0.132 4.482 4.350 -0.001 0.000 0.254 936 E C 0.355 177.073 176.600 0.196 0.000 1.213 936 E CA -0.479 55.842 56.400 -0.133 0.000 0.945 936 E CB 0.231 29.910 29.700 -0.035 0.000 1.057 936 E HN 0.266 nan 8.360 nan 0.000 0.479 937 N N 0.573 119.393 118.700 0.199 0.000 2.216 937 N HA -0.094 4.646 4.740 -0.001 0.000 0.183 937 N C -0.211 175.453 175.510 0.256 0.000 1.017 937 N CA 0.981 54.154 53.050 0.205 0.000 0.861 937 N CB 0.183 38.746 38.487 0.127 0.000 0.986 937 N HN 0.451 nan 8.380 nan 0.000 0.428 938 E N -0.721 119.648 120.200 0.281 0.000 2.256 938 E HA 0.112 4.462 4.350 -0.001 0.000 0.268 938 E C -1.501 175.200 176.600 0.168 0.000 0.877 938 E CA -0.705 55.795 56.400 0.166 0.000 0.757 938 E CB 1.215 30.975 29.700 0.100 0.000 1.183 938 E HN 0.003 nan 8.360 nan 0.000 0.418 939 W N 8.086 129.087 121.300 -0.498 0.000 2.295 939 W HA 0.387 5.046 4.660 -0.001 0.000 0.333 939 W C -1.185 175.135 176.519 -0.331 0.000 0.990 939 W CA -1.474 55.427 57.345 -0.740 0.000 1.453 939 W CB -0.091 28.414 29.460 -1.592 0.000 1.263 939 W HN 0.459 nan 8.180 nan 0.000 0.380 940 I N 6.162 126.829 120.570 0.162 0.000 2.533 940 I HA 0.189 4.358 4.170 -0.001 0.000 0.284 940 I C 1.475 177.600 176.117 0.014 0.000 1.109 940 I CA 1.071 62.400 61.300 0.048 0.000 1.412 940 I CB 0.320 38.372 38.000 0.087 0.000 1.396 940 I HN 0.786 nan 8.210 nan 0.000 0.543 941 G N 4.412 113.129 108.800 -0.139 0.000 2.143 941 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.249 941 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.249 941 G C 0.405 175.076 174.900 -0.381 0.000 0.981 941 G CA -0.067 44.935 45.100 -0.164 0.000 0.665 941 G HN 0.990 nan 8.290 nan 0.000 0.528 942 A N -0.419 121.914 122.820 -0.812 0.000 2.531 942 A HA 0.570 4.890 4.320 -0.001 0.000 0.236 942 A C 0.571 177.732 177.584 -0.706 0.000 1.062 942 A CA 0.799 51.981 52.037 -1.425 0.000 0.760 942 A CB 0.262 18.115 19.000 -1.913 0.000 0.995 942 A HN 0.629 nan 8.150 nan 0.000 0.501 943 Q N 0.679 120.136 119.800 -0.571 0.000 2.351 943 Q HA 0.522 4.861 4.340 -0.001 0.000 0.273 943 Q C 1.085 176.969 176.000 -0.194 0.000 1.077 943 Q CA -0.219 55.421 55.803 -0.273 0.000 0.843 943 Q CB 1.968 30.615 28.738 -0.152 0.000 1.367 943 Q HN 0.803 nan 8.270 nan 0.000 0.449 944 G N 0.138 108.863 108.800 -0.125 0.000 2.603 944 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.214 944 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.214 944 G C 0.189 175.060 174.900 -0.047 0.000 1.140 944 G CA 0.562 45.603 45.100 -0.098 0.000 0.800 944 G HN 0.434 nan 8.290 nan 0.000 0.533 945 Q N -1.414 118.374 119.800 -0.019 0.000 2.527 945 Q HA 0.514 4.853 4.340 -0.001 0.000 0.280 945 Q C -2.377 173.645 176.000 0.037 0.000 0.977 945 Q CA -0.911 54.895 55.803 0.005 0.000 0.837 945 Q CB 2.197 30.922 28.738 -0.022 0.000 1.454 945 Q HN 0.058 nan 8.270 nan 0.000 0.387 946 F N 1.266 121.122 119.950 -0.158 0.000 2.569 946 F HA 0.647 5.174 4.527 -0.001 0.000 0.312 946 F C 0.515 176.063 175.800 -0.419 0.000 1.109 946 F CA 0.468 58.308 58.000 -0.267 0.000 0.919 946 F CB 2.062 40.913 39.000 -0.248 0.000 1.211 946 F HN 0.669 nan 8.300 nan 0.000 0.446 947 G N 3.078 110.914 108.800 -1.606 0.000 2.141 947 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.231 947 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.231 947 G C 1.039 175.273 174.900 -1.111 0.000 0.984 947 G CA 0.249 44.117 45.100 -2.053 0.000 0.660 947 G HN 1.570 nan 8.290 nan 0.000 0.525 948 G N 1.159 109.597 108.800 -0.604 0.000 2.479 948 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.220 948 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.220 948 G C 1.240 176.083 174.900 -0.095 0.000 1.115 948 G CA 1.800 46.782 45.100 -0.197 0.000 0.757 948 G HN 0.853 nan 8.290 nan 0.000 0.560 949 D N -0.724 119.531 120.400 -0.243 0.000 2.349 949 D HA 0.016 4.656 4.640 -0.001 0.000 0.214 949 D C 0.068 176.360 176.300 -0.013 0.000 1.063 949 D CA -0.455 53.492 54.000 -0.088 0.000 0.847 949 D CB -0.472 40.282 40.800 -0.077 0.000 0.933 949 D HN 0.181 nan 8.370 nan 0.000 0.513 950 H N 1.759 120.724 119.070 -0.176 0.000 2.764 950 H HA 0.312 4.867 4.556 -0.001 0.000 0.341 950 H C -1.970 173.330 175.328 -0.048 0.000 1.072 950 H CA -2.062 53.905 56.048 -0.134 0.000 1.444 950 H CB 0.020 29.653 29.762 -0.214 0.000 1.458 950 H HN 0.043 nan 8.280 nan 0.000 0.572 951 P HA -0.017 nan 4.420 nan 0.000 0.268 951 P C -0.155 177.216 177.300 0.119 0.000 1.205 951 P CA 0.003 63.167 63.100 0.106 0.000 0.771 951 P CB 0.674 32.413 31.700 0.066 0.000 0.858 952 S N 2.195 118.002 115.700 0.179 0.000 2.415 952 S HA 0.575 5.045 4.470 -0.001 0.000 0.313 952 S C 0.013 174.730 174.600 0.195 0.000 1.067 952 S CA -0.570 57.769 58.200 0.232 0.000 1.099 952 S CB -0.673 62.782 63.200 0.426 0.000 0.991 952 S HN 0.495 nan 8.310 nan 0.000 0.491 953 A N 4.332 127.258 122.820 0.175 0.000 2.332 953 A HA 0.537 4.857 4.320 -0.001 0.000 0.258 953 A C 0.514 178.172 177.584 0.123 0.000 1.087 953 A CA -0.583 51.534 52.037 0.133 0.000 0.802 953 A CB 0.217 19.290 19.000 0.123 0.000 1.042 953 A HN 0.910 nan 8.150 nan 0.000 0.489 954 R N 0.032 120.572 120.500 0.066 0.000 2.697 954 R HA -0.027 4.312 4.340 -0.001 0.000 0.265 954 R C 1.399 177.713 176.300 0.023 0.000 1.009 954 R CA 0.997 57.108 56.100 0.020 0.000 1.099 954 R CB 0.327 30.622 30.300 -0.009 0.000 0.965 954 R HN 0.899 nan 8.270 nan 0.000 0.428 955 E N 1.706 121.881 120.200 -0.041 0.000 2.265 955 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 955 E C 0.275 176.904 176.600 0.048 0.000 0.996 955 E CA 1.445 57.802 56.400 -0.072 0.000 0.832 955 E CB -0.062 29.569 29.700 -0.116 0.000 0.756 955 E HN 0.781 nan 8.360 nan 0.000 0.491 956 D N 0.630 121.021 120.400 -0.015 0.000 2.340 956 D HA -0.005 4.634 4.640 -0.001 0.000 0.220 956 D C 0.331 176.629 176.300 -0.003 0.000 1.039 956 D CA -0.108 53.843 54.000 -0.082 0.000 0.866 956 D CB -0.015 40.679 40.800 -0.175 0.000 0.913 956 D HN 0.159 nan 8.370 nan 0.000 0.523 957 L N 0.863 122.133 121.223 0.079 0.000 2.309 957 L HA 0.512 4.851 4.340 -0.001 0.000 0.282 957 L C -1.091 175.912 176.870 0.221 0.000 1.036 957 L CA -0.469 54.439 54.840 0.113 0.000 0.806 957 L CB 1.627 43.740 42.059 0.090 0.000 1.220 957 L HN -0.208 nan 8.230 nan 0.000 0.429 958 D N 2.371 122.925 120.400 0.256 0.000 2.575 958 D HA 0.369 5.009 4.640 -0.001 0.000 0.236 958 D C -1.288 175.178 176.300 0.278 0.000 1.075 958 D CA -0.273 53.901 54.000 0.291 0.000 0.860 958 D CB 2.383 43.402 40.800 0.366 0.000 1.475 958 D HN 0.226 nan 8.370 nan 0.000 0.474 959 V N 3.488 123.543 119.914 0.235 0.000 2.267 959 V HA 0.126 4.246 4.120 -0.001 0.000 0.254 959 V C 1.292 177.529 176.094 0.237 0.000 1.144 959 V CA -0.027 62.421 62.300 0.248 0.000 0.992 959 V CB 0.427 32.381 31.823 0.219 0.000 1.199 959 V HN 0.581 nan 8.190 nan 0.000 0.493 960 S N 3.080 118.950 115.700 0.283 0.000 2.383 960 S HA -0.001 4.468 4.470 -0.001 0.000 0.227 960 S C 0.659 175.324 174.600 0.109 0.000 1.026 960 S CA 0.807 59.130 58.200 0.205 0.000 0.981 960 S CB 0.184 63.569 63.200 0.309 0.000 0.818 960 S HN 0.500 nan 8.310 nan 0.000 0.472 961 V N 1.596 121.614 119.914 0.172 0.000 2.686 961 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 961 V C -0.784 175.393 176.094 0.138 0.000 1.065 961 V CA -0.538 61.842 62.300 0.132 0.000 0.894 961 V CB 1.865 33.797 31.823 0.182 0.000 1.004 961 V HN 0.367 nan 8.190 nan 0.000 0.424 962 M N 5.699 125.300 119.600 0.002 0.000 2.197 962 M HA 0.688 5.167 4.480 -0.001 0.000 0.301 962 M C -1.060 175.079 176.300 -0.269 0.000 0.987 962 M CA -0.486 54.686 55.300 -0.213 0.000 0.921 962 M CB 1.481 33.967 32.600 -0.190 0.000 1.569 962 M HN 0.748 nan 8.290 nan 0.000 0.431 963 R N 4.025 124.292 120.500 -0.387 0.000 2.515 963 R HA 0.432 4.771 4.340 -0.001 0.000 0.291 963 R C -1.396 174.678 176.300 -0.377 0.000 1.046 963 R CA -0.698 55.226 56.100 -0.295 0.000 0.914 963 R CB 1.876 32.082 30.300 -0.157 0.000 1.191 963 R HN 0.902 nan 8.270 nan 0.000 0.435 964 R N 4.492 124.827 120.500 -0.274 0.000 2.442 964 R HA 0.133 4.473 4.340 -0.001 0.000 0.291 964 R C 0.244 176.435 176.300 -0.181 0.000 1.069 964 R CA 0.085 56.051 56.100 -0.224 0.000 1.022 964 R CB 0.603 30.827 30.300 -0.126 0.000 0.976 964 R HN 0.699 nan 8.270 nan 0.000 0.443 965 L N 3.026 124.135 121.223 -0.191 0.000 2.585 965 L HA 0.141 4.481 4.340 -0.001 0.000 0.226 965 L C 0.311 177.131 176.870 -0.084 0.000 1.113 965 L CA 0.062 54.810 54.840 -0.153 0.000 0.876 965 L CB 0.383 42.320 42.059 -0.205 0.000 1.072 965 L HN 0.706 nan 8.230 nan 0.000 0.468 966 T N -2.641 111.874 114.554 -0.065 0.000 2.887 966 T HA 0.447 4.797 4.350 -0.001 0.000 0.288 966 T C -0.230 174.463 174.700 -0.012 0.000 1.021 966 T CA -0.933 61.147 62.100 -0.033 0.000 1.000 966 T CB 2.411 71.264 68.868 -0.024 0.000 1.034 966 T HN -0.082 nan 8.240 nan 0.000 0.467 967 K N 0.968 121.367 120.400 -0.002 0.000 2.117 967 K HA 0.321 4.640 4.320 -0.001 0.000 0.240 967 K C 1.665 178.279 176.600 0.023 0.000 1.031 967 K CA -0.258 56.038 56.287 0.016 0.000 0.909 967 K CB 0.507 33.015 32.500 0.013 0.000 1.097 967 K HN 0.799 nan 8.250 nan 0.000 0.492 968 S N -0.565 115.157 115.700 0.036 0.000 2.419 968 S HA -0.152 4.318 4.470 -0.001 0.000 0.233 968 S C 1.810 176.424 174.600 0.024 0.000 1.016 968 S CA 1.490 59.710 58.200 0.034 0.000 0.974 968 S CB -0.393 62.834 63.200 0.046 0.000 0.786 968 S HN 0.631 nan 8.310 nan 0.000 0.492 969 S N 1.747 117.460 115.700 0.020 0.000 2.515 969 S HA 0.392 4.861 4.470 -0.001 0.000 0.231 969 S C 0.869 175.475 174.600 0.011 0.000 0.987 969 S CA 0.120 58.330 58.200 0.016 0.000 0.936 969 S CB -0.675 62.534 63.200 0.015 0.000 0.766 969 S HN 0.785 nan 8.310 nan 0.000 0.528 970 A N 1.999 124.824 122.820 0.008 0.000 2.451 970 A HA 0.339 4.658 4.320 -0.001 0.000 0.266 970 A C 1.203 178.792 177.584 0.008 0.000 1.119 970 A CA -0.460 51.579 52.037 0.004 0.000 0.786 970 A CB 0.140 19.139 19.000 -0.001 0.000 1.061 970 A HN 0.406 nan 8.150 nan 0.000 0.503 971 K N 1.230 121.634 120.400 0.007 0.000 2.044 971 K HA -0.107 4.213 4.320 -0.001 0.000 0.210 971 K C 0.151 176.760 176.600 0.015 0.000 1.049 971 K CA 1.682 57.975 56.287 0.010 0.000 0.927 971 K CB -0.127 32.376 32.500 0.006 0.000 0.713 971 K HN 0.710 nan 8.250 nan 0.000 0.443 972 T N 2.495 117.055 114.554 0.010 0.000 2.753 972 T HA 0.162 4.512 4.350 -0.001 0.000 0.297 972 T C -0.348 174.366 174.700 0.023 0.000 0.981 972 T CA -0.588 61.521 62.100 0.015 0.000 0.956 972 T CB 1.379 70.247 68.868 -0.001 0.000 0.936 972 T HN -0.013 nan 8.240 nan 0.000 0.463 973 Q N 2.759 122.591 119.800 0.053 0.000 2.340 973 Q HA 0.399 4.739 4.340 -0.001 0.000 0.249 973 Q C 0.081 176.135 176.000 0.089 0.000 0.957 973 Q CA 0.035 55.872 55.803 0.057 0.000 0.882 973 Q CB 1.348 30.120 28.738 0.056 0.000 1.235 973 Q HN 0.549 nan 8.270 nan 0.000 0.439 974 R N 0.403 120.921 120.500 0.030 0.000 2.621 974 R HA 0.655 4.995 4.340 -0.001 0.000 0.292 974 R C -1.058 175.195 176.300 -0.079 0.000 0.969 974 R CA -0.663 55.439 56.100 0.003 0.000 0.887 974 R CB 1.847 32.115 30.300 -0.052 0.000 1.180 974 R HN 0.255 nan 8.270 nan 0.000 0.450 975 V N 1.498 121.360 119.914 -0.087 0.000 2.531 975 V HA 0.593 4.712 4.120 -0.001 0.000 0.301 975 V C 0.188 175.994 176.094 -0.479 0.000 1.034 975 V CA -0.857 61.256 62.300 -0.311 0.000 0.865 975 V CB 2.035 33.680 31.823 -0.296 0.000 0.995 975 V HN 0.945 nan 8.190 nan 0.000 0.424 976 G N 2.977 111.296 108.800 -0.801 0.000 2.371 976 G HA2 0.657 4.616 3.960 -0.001 0.000 0.326 976 G HA3 0.657 4.616 3.960 -0.001 0.000 0.326 976 G C -1.618 172.853 174.900 -0.715 0.000 1.127 976 G CA -0.289 44.179 45.100 -1.052 0.000 0.885 976 G HN 0.512 nan 8.290 nan 0.000 0.477 977 Y N 0.526 120.918 120.300 0.154 0.000 2.425 977 Y HA 0.463 5.013 4.550 -0.001 0.000 0.344 977 Y C -0.114 176.057 175.900 0.452 0.000 0.969 977 Y CA -0.897 57.378 58.100 0.292 0.000 1.052 977 Y CB 2.789 41.386 38.460 0.229 0.000 1.215 977 Y HN 0.341 nan 8.280 nan 0.000 0.451 978 V N 5.286 125.501 119.914 0.502 0.000 2.370 978 V HA 0.396 4.516 4.120 -0.001 0.000 0.283 978 V C -0.376 175.950 176.094 0.386 0.000 1.023 978 V CA -0.763 61.759 62.300 0.369 0.000 0.857 978 V CB 1.206 33.198 31.823 0.282 0.000 0.985 978 V HN 0.586 nan 8.190 nan 0.000 0.443 979 L N 5.184 126.620 121.223 0.355 0.000 2.296 979 L HA 0.583 4.922 4.340 -0.001 0.000 0.286 979 L C -0.244 176.829 176.870 0.338 0.000 1.023 979 L CA -0.441 54.601 54.840 0.337 0.000 0.812 979 L CB 1.299 43.550 42.059 0.320 0.000 1.223 979 L HN 0.652 nan 8.230 nan 0.000 0.421 980 H N 4.451 123.677 119.070 0.259 0.000 2.547 980 H HA 0.398 4.953 4.556 -0.001 0.000 0.342 980 H C -1.307 174.108 175.328 0.146 0.000 1.048 980 H CA -0.834 55.334 56.048 0.200 0.000 1.204 980 H CB 2.056 31.998 29.762 0.299 0.000 1.493 980 H HN 0.570 nan 8.280 nan 0.000 0.511 981 R N 3.840 124.005 120.500 -0.559 0.000 2.343 981 R HA 0.207 4.546 4.340 -0.001 0.000 0.320 981 R C -0.270 175.610 176.300 -0.701 0.000 0.956 981 R CA -0.379 55.459 56.100 -0.437 0.000 0.836 981 R CB 1.501 31.668 30.300 -0.222 0.000 1.151 981 R HN 0.640 nan 8.270 nan 0.000 0.450 982 T N 1.639 115.930 114.554 -0.438 0.000 2.771 982 T HA 0.169 4.518 4.350 -0.001 0.000 0.290 982 T C -0.490 174.033 174.700 -0.296 0.000 1.005 982 T CA -0.411 61.517 62.100 -0.286 0.000 0.944 982 T CB 0.555 69.340 68.868 -0.138 0.000 1.147 982 T HN 0.679 nan 8.240 nan 0.000 0.534 983 N N 0.625 119.174 118.700 -0.251 0.000 2.399 983 N HA 0.470 5.209 4.740 -0.001 0.000 0.284 983 N C -1.456 173.889 175.510 -0.276 0.000 1.025 983 N CA -0.500 52.343 53.050 -0.346 0.000 0.885 983 N CB 0.668 38.794 38.487 -0.601 0.000 1.339 983 N HN 0.467 nan 8.380 nan 0.000 0.487 984 L N 2.630 123.688 121.223 -0.275 0.000 2.331 984 L HA 0.540 4.879 4.340 -0.001 0.000 0.275 984 L C 0.505 177.246 176.870 -0.215 0.000 1.022 984 L CA -0.971 53.742 54.840 -0.211 0.000 0.812 984 L CB 1.600 43.544 42.059 -0.190 0.000 1.257 984 L HN 0.382 nan 8.230 nan 0.000 0.435 985 M N 2.247 121.742 119.600 -0.175 0.000 2.239 985 M HA 0.073 4.553 4.480 -0.001 0.000 0.348 985 M C -0.145 176.067 176.300 -0.147 0.000 1.239 985 M CA -0.078 55.123 55.300 -0.166 0.000 1.114 985 M CB 0.455 32.963 32.600 -0.153 0.000 1.641 985 M HN 0.466 nan 8.290 nan 0.000 0.453 986 Q N 2.104 121.820 119.800 -0.138 0.000 2.307 986 Q HA 0.167 4.506 4.340 -0.001 0.000 0.259 986 Q C -0.167 175.776 176.000 -0.097 0.000 0.998 986 Q CA 0.181 55.916 55.803 -0.113 0.000 0.923 986 Q CB 0.843 29.518 28.738 -0.105 0.000 1.196 986 Q HN 0.807 nan 8.270 nan 0.000 0.416 987 c N 0.610 119.156 118.600 -0.089 0.000 3.240 987 c HA 0.374 4.943 4.570 -0.001 0.000 0.271 987 c C 1.232 175.283 174.090 -0.065 0.000 1.534 987 c CA -0.031 56.251 56.329 -0.078 0.000 1.796 987 c CB -0.295 42.163 42.510 -0.086 0.000 2.892 987 c HN 1.000 nan 8.230 nan 0.000 0.566 988 G N 1.382 110.145 108.800 -0.062 0.000 2.157 988 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.239 988 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.239 988 G C -0.019 174.851 174.900 -0.051 0.000 0.982 988 G CA 0.327 45.395 45.100 -0.052 0.000 0.650 988 G HN 0.445 nan 8.290 nan 0.000 0.527 989 T N 2.065 116.584 114.554 -0.058 0.000 2.749 989 T HA 0.456 4.805 4.350 -0.001 0.000 0.295 989 T C -0.542 174.121 174.700 -0.062 0.000 0.936 989 T CA -0.528 61.538 62.100 -0.057 0.000 1.060 989 T CB 1.802 70.634 68.868 -0.061 0.000 0.904 989 T HN -0.002 nan 8.240 nan 0.000 0.500 990 P HA -0.153 nan 4.420 nan 0.000 0.217 990 P C -0.058 177.194 177.300 -0.079 0.000 1.151 990 P CA 0.813 63.878 63.100 -0.058 0.000 0.849 990 P CB -0.071 31.602 31.700 -0.046 0.000 0.787 991 E N -0.612 119.529 120.200 -0.099 0.000 2.811 991 E HA -0.185 4.164 4.350 -0.001 0.000 0.150 991 E C -0.419 176.079 176.600 -0.170 0.000 1.823 991 E CA 0.407 56.727 56.400 -0.134 0.000 0.661 991 E CB -1.275 28.358 29.700 -0.111 0.000 1.086 991 E HN 0.463 nan 8.360 nan 0.000 0.354 992 E N 1.078 121.109 120.200 -0.281 0.000 2.355 992 E HA 0.330 4.679 4.350 -0.001 0.000 0.261 992 E C -0.401 175.859 176.600 -0.566 0.000 0.943 992 E CA -0.871 55.352 56.400 -0.296 0.000 0.806 992 E CB 0.897 30.509 29.700 -0.147 0.000 1.286 992 E HN 0.543 nan 8.360 nan 0.000 0.424 993 H N -0.976 118.090 119.070 -0.008 0.000 2.673 993 H HA -0.155 4.401 4.556 -0.001 0.000 0.318 993 H C -1.366 173.972 175.328 0.017 0.000 0.998 993 H CA 0.667 56.715 56.048 0.000 0.000 1.045 993 H CB -2.442 27.316 29.762 -0.007 0.000 1.623 993 H HN 0.505 nan 8.280 nan 0.000 0.359 994 T N 0.573 115.175 114.554 0.079 0.000 2.906 994 T HA 0.597 4.946 4.350 -0.001 0.000 0.295 994 T C -0.200 174.546 174.700 0.076 0.000 1.075 994 T CA -1.127 61.026 62.100 0.089 0.000 1.005 994 T CB 2.931 71.827 68.868 0.045 0.000 1.136 994 T HN 0.573 nan 8.240 nan 0.000 0.498 995 Q N 1.032 120.885 119.800 0.088 0.000 2.222 995 Q HA 0.452 4.792 4.340 -0.001 0.000 0.252 995 Q C -0.363 175.663 176.000 0.043 0.000 0.926 995 Q CA -1.257 54.584 55.803 0.062 0.000 0.899 995 Q CB 1.195 29.978 28.738 0.075 0.000 1.250 995 Q HN 0.364 nan 8.270 nan 0.000 0.441 996 K N 1.631 122.042 120.400 0.019 0.000 2.451 996 K HA 0.050 4.370 4.320 -0.001 0.000 0.280 996 K C -0.573 176.027 176.600 0.001 0.000 1.020 996 K CA -0.138 56.151 56.287 0.003 0.000 1.008 996 K CB 0.199 32.690 32.500 -0.016 0.000 0.917 996 K HN 0.399 nan 8.250 nan 0.000 0.478 997 L N 3.574 124.796 121.223 -0.002 0.000 2.255 997 L HA 0.200 4.539 4.340 -0.001 0.000 0.289 997 L C -0.569 176.264 176.870 -0.062 0.000 1.046 997 L CA -0.159 54.671 54.840 -0.016 0.000 0.816 997 L CB 0.750 42.812 42.059 0.005 0.000 1.197 997 L HN 0.401 nan 8.230 nan 0.000 0.427 998 D N 3.494 123.850 120.400 -0.073 0.000 2.460 998 D HA 0.159 4.799 4.640 -0.001 0.000 0.232 998 D C 1.101 177.308 176.300 -0.154 0.000 1.079 998 D CA -0.267 53.668 54.000 -0.107 0.000 0.864 998 D CB 1.277 42.052 40.800 -0.041 0.000 1.048 998 D HN 0.389 nan 8.370 nan 0.000 0.523 999 V N 1.417 121.144 119.914 -0.312 0.000 2.594 999 V HA -0.165 3.954 4.120 -0.001 0.000 0.253 999 V C 2.107 177.897 176.094 -0.506 0.000 1.069 999 V CA 0.991 62.925 62.300 -0.610 0.000 1.082 999 V CB -1.032 30.155 31.823 -1.059 0.000 0.680 999 V HN 0.608 nan 8.190 nan 0.000 0.469 1000 c N 0.564 119.008 118.600 -0.260 0.000 2.472 1000 c HA 0.040 4.610 4.570 -0.001 0.000 0.278 1000 c C 2.096 176.095 174.090 -0.152 0.000 1.447 1000 c CA 1.179 57.425 56.329 -0.139 0.000 1.773 1000 c CB -1.802 40.615 42.510 -0.155 0.000 1.793 1000 c HN 0.766 nan 8.230 nan 0.000 0.544 1001 H N -1.057 117.995 119.070 -0.031 0.000 2.542 1001 H HA 0.263 4.819 4.556 -0.001 0.000 0.283 1001 H C 1.724 177.088 175.328 0.059 0.000 1.059 1001 H CA -0.035 56.034 56.048 0.035 0.000 1.162 1001 H CB 0.071 29.834 29.762 0.002 0.000 1.539 1001 H HN 0.329 nan 8.280 nan 0.000 0.543 1002 L N -0.238 121.048 121.223 0.106 0.000 2.141 1002 L HA -0.061 4.278 4.340 -0.001 0.000 0.209 1002 L C -0.110 176.907 176.870 0.244 0.000 1.094 1002 L CA 0.766 55.693 54.840 0.144 0.000 0.763 1002 L CB 0.089 42.192 42.059 0.073 0.000 0.908 1002 L HN 0.167 nan 8.230 nan 0.000 0.437 1003 L N -0.259 121.065 121.223 0.169 0.000 2.325 1003 L HA 0.397 4.736 4.340 -0.001 0.000 0.278 1003 L C -2.009 174.909 176.870 0.080 0.000 1.023 1003 L CA -1.726 53.141 54.840 0.044 0.000 0.811 1003 L CB 0.976 42.824 42.059 -0.352 0.000 1.249 1003 L HN -0.235 nan 8.230 nan 0.000 0.431 1004 P HA 0.150 nan 4.420 nan 0.000 0.274 1004 P C -0.758 176.654 177.300 0.186 0.000 1.256 1004 P CA -0.252 62.919 63.100 0.119 0.000 0.795 1004 P CB 0.305 32.052 31.700 0.079 0.000 1.038 1005 N N -3.260 115.532 118.700 0.154 0.000 2.754 1005 N HA -0.152 4.588 4.740 -0.001 0.000 0.248 1005 N C 0.014 175.605 175.510 0.135 0.000 1.093 1005 N CA 0.097 53.227 53.050 0.133 0.000 0.699 1005 N CB -2.017 36.537 38.487 0.112 0.000 1.016 1005 N HN 0.258 nan 8.380 nan 0.000 0.552 1006 V N -0.015 119.933 119.914 0.058 0.000 2.599 1006 V HA 0.338 4.458 4.120 -0.001 0.000 0.300 1006 V C 1.220 177.212 176.094 -0.169 0.000 1.034 1006 V CA 1.227 63.386 62.300 -0.234 0.000 1.115 1006 V CB 1.144 32.719 31.823 -0.412 0.000 0.934 1006 V HN 0.441 nan 8.190 nan 0.000 0.485 1007 A N 7.036 129.735 122.820 -0.202 0.000 2.192 1007 A HA 0.474 4.793 4.320 -0.001 0.000 0.208 1007 A C 0.998 178.545 177.584 -0.063 0.000 1.220 1007 A CA 0.003 51.985 52.037 -0.092 0.000 0.900 1007 A CB 0.272 19.235 19.000 -0.061 0.000 0.937 1007 A HN 0.753 nan 8.150 nan 0.000 0.487 1008 R N -1.577 118.858 120.500 -0.108 0.000 2.629 1008 R HA 0.493 4.832 4.340 -0.001 0.000 0.266 1008 R C -2.275 173.992 176.300 -0.055 0.000 1.051 1008 R CA -0.347 55.749 56.100 -0.006 0.000 0.895 1008 R CB 1.721 32.043 30.300 0.037 0.000 1.246 1008 R HN 0.305 nan 8.270 nan 0.000 0.459 1009 c N 2.669 121.274 118.600 0.009 0.000 2.431 1009 c HA 0.618 5.187 4.570 -0.001 0.000 0.321 1009 c C -1.166 172.992 174.090 0.113 0.000 1.202 1009 c CA -0.205 56.135 56.329 0.018 0.000 1.398 1009 c CB 1.273 43.753 42.510 -0.050 0.000 2.047 1009 c HN 0.912 nan 8.230 nan 0.000 0.465 1010 E N 2.932 123.238 120.200 0.176 0.000 2.272 1010 E HA 0.419 4.769 4.350 -0.001 0.000 0.269 1010 E C -1.006 175.765 176.600 0.285 0.000 0.877 1010 E CA -0.600 55.926 56.400 0.210 0.000 0.755 1010 E CB 1.903 31.701 29.700 0.164 0.000 1.192 1010 E HN 0.648 nan 8.360 nan 0.000 0.422 1011 R N 1.573 122.223 120.500 0.249 0.000 2.340 1011 R HA 0.312 4.651 4.340 -0.001 0.000 0.300 1011 R C -0.467 175.865 176.300 0.054 0.000 1.069 1011 R CA 0.122 56.291 56.100 0.114 0.000 0.984 1011 R CB 0.635 30.971 30.300 0.061 0.000 1.003 1011 R HN 0.671 nan 8.270 nan 0.000 0.459 1012 T N -0.169 114.392 114.554 0.012 0.000 2.907 1012 T HA 0.349 4.698 4.350 -0.001 0.000 0.290 1012 T C 0.127 174.814 174.700 -0.022 0.000 1.066 1012 T CA -0.768 61.360 62.100 0.047 0.000 1.012 1012 T CB 1.414 70.381 68.868 0.165 0.000 1.184 1012 T HN 0.625 nan 8.240 nan 0.000 0.522 1013 T N 0.241 114.785 114.554 -0.016 0.000 2.791 1013 T HA 0.175 4.524 4.350 -0.001 0.000 0.323 1013 T C 1.576 176.200 174.700 -0.127 0.000 1.082 1013 T CA -0.640 61.428 62.100 -0.053 0.000 1.084 1013 T CB -0.072 68.782 68.868 -0.024 0.000 0.992 1013 T HN 0.569 nan 8.240 nan 0.000 0.547 1014 L N 1.136 122.268 121.223 -0.151 0.000 2.362 1014 L HA -0.021 4.318 4.340 -0.001 0.000 0.219 1014 L C 2.830 179.410 176.870 -0.484 0.000 1.134 1014 L CA 1.345 56.026 54.840 -0.265 0.000 0.807 1014 L CB -1.000 40.992 42.059 -0.112 0.000 0.927 1014 L HN 0.986 nan 8.230 nan 0.000 0.447 1015 T N -4.737 109.642 114.554 -0.293 0.000 3.129 1015 T HA 0.037 4.387 4.350 -0.001 0.000 0.251 1015 T C 0.835 175.438 174.700 -0.162 0.000 1.117 1015 T CA -0.169 61.792 62.100 -0.232 0.000 1.034 1015 T CB -0.302 68.552 68.868 -0.022 0.000 0.968 1015 T HN 0.321 nan 8.240 nan 0.000 0.526 1016 F N -0.871 119.095 119.950 0.027 0.000 2.794 1016 F HA -0.218 4.308 4.527 -0.001 0.000 0.335 1016 F C 1.107 176.911 175.800 0.006 0.000 0.653 1016 F CA 0.148 58.156 58.000 0.014 0.000 1.266 1016 F CB -2.128 36.876 39.000 0.006 0.000 1.666 1016 F HN 0.204 nan 8.300 nan 0.000 0.314 1017 L N -0.556 120.741 121.223 0.124 0.000 2.529 1017 L HA 0.091 4.431 4.340 -0.001 0.000 0.223 1017 L C 1.005 177.900 176.870 0.042 0.000 1.113 1017 L CA 0.948 55.832 54.840 0.074 0.000 0.861 1017 L CB 0.164 42.251 42.059 0.046 0.000 1.012 1017 L HN 0.303 nan 8.230 nan 0.000 0.461 1018 Q N 0.496 120.320 119.800 0.041 0.000 2.305 1018 Q HA 0.269 4.609 4.340 -0.001 0.000 0.271 1018 Q C -1.192 174.830 176.000 0.035 0.000 1.046 1018 Q CA -0.702 55.113 55.803 0.021 0.000 0.798 1018 Q CB 1.923 30.659 28.738 -0.003 0.000 1.286 1018 Q HN 0.087 nan 8.270 nan 0.000 0.435 1019 N N 4.348 123.068 118.700 0.033 0.000 2.458 1019 N HA 0.186 4.925 4.740 -0.001 0.000 0.270 1019 N C 0.328 175.858 175.510 0.034 0.000 1.102 1019 N CA 0.217 53.294 53.050 0.046 0.000 0.967 1019 N CB 1.117 39.629 38.487 0.042 0.000 1.078 1019 N HN 0.634 nan 8.380 nan 0.000 0.471 1020 L N 0.807 122.054 121.223 0.041 0.000 2.500 1020 L HA 0.277 4.616 4.340 -0.001 0.000 0.219 1020 L C 0.126 177.025 176.870 0.048 0.000 1.057 1020 L CA 0.615 55.472 54.840 0.029 0.000 0.854 1020 L CB 0.252 42.316 42.059 0.009 0.000 1.078 1020 L HN 0.391 nan 8.230 nan 0.000 0.480 1021 E N -1.057 119.190 120.200 0.079 0.000 2.321 1021 E HA 0.230 4.580 4.350 -0.001 0.000 0.281 1021 E C -1.477 175.218 176.600 0.157 0.000 0.910 1021 E CA -0.624 55.837 56.400 0.103 0.000 0.770 1021 E CB 2.215 31.971 29.700 0.092 0.000 1.225 1021 E HN -0.023 nan 8.360 nan 0.000 0.417 1022 H N 3.309 122.405 119.070 0.044 0.000 2.652 1022 H HA 0.334 4.889 4.556 -0.001 0.000 0.298 1022 H C -1.111 174.242 175.328 0.042 0.000 1.076 1022 H CA -0.228 55.843 56.048 0.039 0.000 1.360 1022 H CB 0.319 30.094 29.762 0.022 0.000 1.421 1022 H HN 0.336 nan 8.280 nan 0.000 0.464 1023 L N 5.014 126.102 121.223 -0.224 0.000 2.276 1023 L HA 0.189 4.529 4.340 -0.001 0.000 0.286 1023 L C 0.065 176.764 176.870 -0.285 0.000 1.061 1023 L CA -0.864 53.872 54.840 -0.173 0.000 0.807 1023 L CB 0.815 42.847 42.059 -0.046 0.000 1.177 1023 L HN 0.662 nan 8.230 nan 0.000 0.429 1024 D N 2.835 123.124 120.400 -0.185 0.000 2.493 1024 D HA 0.146 4.785 4.640 -0.001 0.000 0.240 1024 D C 1.180 177.424 176.300 -0.093 0.000 1.142 1024 D CA 1.200 55.115 54.000 -0.142 0.000 0.872 1024 D CB 1.171 41.926 40.800 -0.076 0.000 1.173 1024 D HN 0.829 nan 8.370 nan 0.000 0.467 1025 G N 2.966 111.723 108.800 -0.072 0.000 2.166 1025 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.260 1025 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.260 1025 G C 0.790 175.708 174.900 0.030 0.000 0.986 1025 G CA 0.447 45.538 45.100 -0.016 0.000 0.683 1025 G HN 0.644 nan 8.290 nan 0.000 0.527 1026 M N -2.673 116.909 119.600 -0.030 0.000 2.576 1026 M HA -0.192 4.288 4.480 -0.001 0.000 0.200 1026 M C 0.116 176.437 176.300 0.035 0.000 0.487 1026 M CA 0.932 56.214 55.300 -0.030 0.000 0.553 1026 M CB -1.713 30.851 32.600 -0.059 0.000 2.042 1026 M HN 0.229 nan 8.290 nan 0.000 0.758 1027 V N 0.875 120.794 119.914 0.009 0.000 2.370 1027 V HA 0.699 4.819 4.120 -0.001 0.000 0.283 1027 V C 0.633 176.646 176.094 -0.135 0.000 1.023 1027 V CA -0.336 61.959 62.300 -0.009 0.000 0.857 1027 V CB 1.691 33.500 31.823 -0.023 0.000 0.985 1027 V HN 0.375 nan 8.190 nan 0.000 0.443 1028 A N 8.223 130.883 122.820 -0.267 0.000 2.310 1028 A HA 0.713 5.033 4.320 -0.001 0.000 0.300 1028 A C -2.405 174.896 177.584 -0.470 0.000 1.269 1028 A CA -1.315 50.335 52.037 -0.645 0.000 0.909 1028 A CB -0.009 18.340 19.000 -1.085 0.000 1.144 1028 A HN 0.625 nan 8.150 nan 0.000 0.540 1029 P HA 0.206 nan 4.420 nan 0.000 0.275 1029 P C -0.199 177.089 177.300 -0.019 0.000 1.228 1029 P CA -0.258 62.789 63.100 -0.087 0.000 0.786 1029 P CB 0.579 32.289 31.700 0.016 0.000 0.927 1030 E N 0.210 120.410 120.200 0.000 0.000 2.404 1030 E HA 0.193 4.542 4.350 -0.001 0.000 0.261 1030 E C 0.203 176.849 176.600 0.077 0.000 1.074 1030 E CA -0.639 55.788 56.400 0.045 0.000 0.917 1030 E CB 0.496 30.205 29.700 0.014 0.000 0.965 1030 E HN 0.293 nan 8.360 nan 0.000 0.433 1031 V N -0.534 119.433 119.914 0.088 0.000 2.997 1031 V HA 0.279 4.398 4.120 -0.001 0.000 0.311 1031 V C 0.265 176.361 176.094 0.003 0.000 1.066 1031 V CA -1.079 61.259 62.300 0.064 0.000 1.039 1031 V CB 1.117 32.982 31.823 0.071 0.000 1.081 1031 V HN 0.732 nan 8.190 nan 0.000 0.467 1032 c N 2.655 121.251 118.600 -0.006 0.000 2.595 1032 c HA 0.430 4.999 4.570 -0.001 0.000 0.384 1032 c C -2.068 171.967 174.090 -0.092 0.000 1.289 1032 c CA -0.372 55.935 56.329 -0.037 0.000 2.372 1032 c CB -0.042 42.462 42.510 -0.009 0.000 2.593 1032 c HN 0.822 nan 8.230 nan 0.000 0.639 1033 P HA 0.033 nan 4.420 nan 0.000 0.262 1033 P C 0.262 177.412 177.300 -0.250 0.000 1.182 1033 P CA 0.987 63.953 63.100 -0.223 0.000 0.761 1033 P CB 0.162 31.712 31.700 -0.249 0.000 0.795 1034 M N -1.366 118.036 119.600 -0.331 0.000 2.939 1034 M HA -0.206 4.273 4.480 -0.001 0.000 0.194 1034 M C 0.215 176.528 176.300 0.022 0.000 0.617 1034 M CA 1.175 56.275 55.300 -0.334 0.000 0.734 1034 M CB -2.406 29.680 32.600 -0.857 0.000 2.637 1034 M HN 0.471 nan 8.290 nan 0.000 0.316 1035 E N 0.528 120.718 120.200 -0.016 0.000 2.248 1035 E HA 0.569 4.918 4.350 -0.001 0.000 0.272 1035 E C -0.609 176.049 176.600 0.097 0.000 1.008 1035 E CA -0.138 56.317 56.400 0.092 0.000 0.856 1035 E CB 1.438 31.160 29.700 0.036 0.000 1.120 1035 E HN 0.190 nan 8.360 nan 0.000 0.397 1036 T N 1.636 116.269 114.554 0.132 0.000 2.881 1036 T HA 0.683 5.032 4.350 -0.001 0.000 0.290 1036 T C -1.196 173.520 174.700 0.026 0.000 1.000 1036 T CA -0.585 61.608 62.100 0.155 0.000 0.978 1036 T CB 1.506 70.489 68.868 0.193 0.000 0.997 1036 T HN 0.569 nan 8.240 nan 0.000 0.443 1037 A N 1.948 124.785 122.820 0.029 0.000 2.469 1037 A HA 0.998 5.317 4.320 -0.001 0.000 0.299 1037 A C -0.949 176.540 177.584 -0.159 0.000 1.098 1037 A CA -0.942 51.015 52.037 -0.133 0.000 0.737 1037 A CB 1.512 20.381 19.000 -0.219 0.000 1.312 1037 A HN 1.098 nan 8.150 nan 0.000 0.414 1038 A N 0.240 122.876 122.820 -0.306 0.000 2.365 1038 A HA 0.826 5.146 4.320 -0.001 0.000 0.318 1038 A C -1.484 175.924 177.584 -0.293 0.000 1.091 1038 A CA -0.364 51.602 52.037 -0.117 0.000 0.763 1038 A CB 0.743 19.707 19.000 -0.060 0.000 1.248 1038 A HN 0.844 nan 8.150 nan 0.000 0.442 1039 Y N 0.115 120.629 120.300 0.358 0.000 2.524 1039 Y HA 0.565 5.115 4.550 -0.001 0.000 0.347 1039 Y C -0.291 175.784 175.900 0.292 0.000 1.005 1039 Y CA -0.921 57.345 58.100 0.277 0.000 1.025 1039 Y CB 2.604 41.188 38.460 0.206 0.000 1.275 1039 Y HN 0.413 nan 8.280 nan 0.000 0.460 1040 V N 2.419 122.535 119.914 0.337 0.000 2.444 1040 V HA 0.433 4.552 4.120 -0.001 0.000 0.294 1040 V C -0.616 175.564 176.094 0.143 0.000 1.022 1040 V CA -0.910 61.483 62.300 0.155 0.000 0.850 1040 V CB 1.715 33.568 31.823 0.050 0.000 0.992 1040 V HN 0.828 nan 8.190 nan 0.000 0.426 1041 S N 3.516 119.304 115.700 0.146 0.000 2.508 1041 S HA 0.698 5.168 4.470 -0.001 0.000 0.284 1041 S C -0.173 174.348 174.600 -0.131 0.000 1.192 1041 S CA -0.581 57.623 58.200 0.005 0.000 1.070 1041 S CB 1.543 64.815 63.200 0.120 0.000 1.004 1041 S HN 0.562 nan 8.310 nan 0.000 0.493 1042 S N 2.380 117.886 115.700 -0.322 0.000 2.501 1042 S HA 0.516 4.986 4.470 -0.001 0.000 0.301 1042 S C -0.880 173.396 174.600 -0.540 0.000 1.096 1042 S CA -0.767 57.276 58.200 -0.262 0.000 1.063 1042 S CB 0.492 63.620 63.200 -0.119 0.000 1.042 1042 S HN 0.784 nan 8.310 nan 0.000 0.494 1043 H N 1.024 120.084 119.070 -0.018 0.000 2.667 1043 H HA 0.416 4.971 4.556 -0.001 0.000 0.353 1043 H C -0.153 175.170 175.328 -0.009 0.000 1.072 1043 H CA -0.569 55.470 56.048 -0.014 0.000 1.214 1043 H CB 1.784 31.539 29.762 -0.012 0.000 1.600 1043 H HN 0.684 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.749 115.700 0.081 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.229 58.200 0.049 0.000 1.107 1044 S CB 0.000 63.215 63.200 0.026 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517