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 1qx1_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD NFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.102 174.090 0.020 0.000 1.270 31 c CA 0.000 56.336 56.329 0.012 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.010 0.000 2.134 32 Q N 1.375 121.203 119.800 0.046 0.000 2.392 32 Q HA 0.149 4.489 4.340 -0.001 0.000 0.262 32 Q C -0.254 175.776 176.000 0.050 0.000 1.003 32 Q CA 0.390 56.235 55.803 0.070 0.000 0.888 32 Q CB 0.794 29.612 28.738 0.133 0.000 1.260 32 Q HN 0.656 nan 8.270 nan 0.000 0.435 33 D N 1.570 122.002 120.400 0.053 0.000 2.316 33 D HA 0.072 4.712 4.640 -0.001 0.000 0.245 33 D C 0.500 176.845 176.300 0.076 0.000 1.171 33 D CA -0.289 53.723 54.000 0.021 0.000 0.856 33 D CB 1.306 42.118 40.800 0.020 0.000 1.090 33 D HN 0.374 nan 8.370 nan 0.000 0.476 34 V N 2.237 122.148 119.914 -0.004 0.000 3.649 34 V HA 0.073 4.193 4.120 -0.001 0.000 0.275 34 V C 1.134 177.275 176.094 0.080 0.000 1.281 34 V CA 0.215 62.570 62.300 0.091 0.000 1.143 34 V CB 0.125 31.827 31.823 -0.201 0.000 0.892 34 V HN 0.388 nan 8.190 nan 0.000 0.441 35 V N -0.002 119.871 119.914 -0.068 0.000 2.908 35 V HA 0.083 4.202 4.120 -0.001 0.000 0.240 35 V C 2.343 178.417 176.094 -0.034 0.000 1.117 35 V CA 1.290 63.508 62.300 -0.137 0.000 1.133 35 V CB -0.043 31.651 31.823 -0.216 0.000 0.857 35 V HN 0.480 nan 8.190 nan 0.000 0.478 36 Q N -0.287 119.541 119.800 0.046 0.000 2.384 36 Q HA 0.112 4.452 4.340 -0.001 0.000 0.207 36 Q C -0.445 175.638 176.000 0.138 0.000 0.904 36 Q CA 0.315 56.165 55.803 0.078 0.000 0.933 36 Q CB 0.568 29.324 28.738 0.031 0.000 1.077 36 Q HN 0.507 nan 8.270 nan 0.000 0.522 37 D N 1.270 121.783 120.400 0.188 0.000 2.441 37 D HA 0.173 4.813 4.640 -0.001 0.000 0.231 37 D C -0.694 175.716 176.300 0.185 0.000 1.073 37 D CA -0.241 53.854 54.000 0.159 0.000 0.850 37 D CB 2.068 42.940 40.800 0.120 0.000 1.062 37 D HN -0.169 nan 8.370 nan 0.000 0.524 38 V N 4.491 124.482 119.914 0.128 0.000 2.446 38 V HA 0.123 4.242 4.120 -0.001 0.000 0.276 38 V C -1.882 174.188 176.094 -0.040 0.000 1.030 38 V CA -1.136 61.160 62.300 -0.007 0.000 1.033 38 V CB 0.446 32.274 31.823 0.008 0.000 0.993 38 V HN 0.291 nan 8.190 nan 0.000 0.477 39 P HA 0.079 nan 4.420 nan 0.000 0.268 39 P C -0.466 176.804 177.300 -0.050 0.000 1.205 39 P CA -0.138 62.928 63.100 -0.056 0.000 0.771 39 P CB 0.364 32.012 31.700 -0.087 0.000 0.858 40 N N 2.775 121.461 118.700 -0.023 0.000 2.462 40 N HA 0.333 5.072 4.740 -0.001 0.000 0.242 40 N C -1.099 174.402 175.510 -0.016 0.000 1.010 40 N CA -0.452 52.587 53.050 -0.017 0.000 0.939 40 N CB 0.078 38.564 38.487 -0.002 0.000 1.127 40 N HN 0.108 nan 8.380 nan 0.000 0.509 41 V N 0.451 120.349 119.914 -0.028 0.000 3.001 41 V HA 0.535 4.654 4.120 -0.001 0.000 0.314 41 V C 0.567 176.646 176.094 -0.025 0.000 1.099 41 V CA -0.754 61.533 62.300 -0.022 0.000 0.989 41 V CB 2.052 33.851 31.823 -0.041 0.000 1.040 41 V HN 0.407 nan 8.190 nan 0.000 0.434 42 D N 0.994 121.386 120.400 -0.013 0.000 2.144 42 D HA 0.016 4.656 4.640 -0.001 0.000 0.200 42 D C 0.488 176.758 176.300 -0.050 0.000 0.978 42 D CA 1.588 55.577 54.000 -0.018 0.000 0.833 42 D CB 0.491 41.296 40.800 0.009 0.000 0.961 42 D HN 0.419 nan 8.370 nan 0.000 0.470 43 V N 1.556 121.419 119.914 -0.086 0.000 2.443 43 V HA 0.199 4.319 4.120 -0.001 0.000 0.293 43 V C -0.364 175.634 176.094 -0.161 0.000 1.021 43 V CA -0.739 61.479 62.300 -0.136 0.000 0.848 43 V CB 2.363 34.060 31.823 -0.211 0.000 0.998 43 V HN -0.081 nan 8.190 nan 0.000 0.424 44 Q N 4.669 124.386 119.800 -0.138 0.000 2.341 44 Q HA 0.433 4.772 4.340 -0.001 0.000 0.268 44 Q C 0.462 176.364 176.000 -0.163 0.000 1.013 44 Q CA -0.694 55.019 55.803 -0.150 0.000 0.798 44 Q CB 1.881 30.552 28.738 -0.112 0.000 1.253 44 Q HN 0.674 nan 8.270 nan 0.000 0.457 45 M N 3.079 122.534 119.600 -0.242 0.000 2.213 45 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 45 M C 1.598 177.793 176.300 -0.175 0.000 1.062 45 M CA 0.985 56.131 55.300 -0.258 0.000 1.105 45 M CB -0.808 31.503 32.600 -0.483 0.000 1.385 45 M HN 0.561 nan 8.290 nan 0.000 0.417 46 L N 0.631 121.745 121.223 -0.181 0.000 2.093 46 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 46 L C 2.471 179.334 176.870 -0.012 0.000 1.085 46 L CA 1.763 56.529 54.840 -0.123 0.000 0.755 46 L CB -0.604 41.357 42.059 -0.163 0.000 0.904 46 L HN 0.256 nan 8.230 nan 0.000 0.435 47 E N -0.415 119.764 120.200 -0.034 0.000 2.072 47 E HA -0.210 4.140 4.350 -0.001 0.000 0.190 47 E C 2.176 178.787 176.600 0.018 0.000 0.982 47 E CA 1.261 57.654 56.400 -0.011 0.000 0.803 47 E CB -0.238 29.441 29.700 -0.036 0.000 0.755 47 E HN 0.442 nan 8.360 nan 0.000 0.453 48 L N 0.528 121.762 121.223 0.018 0.000 2.017 48 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 48 L C 2.262 179.197 176.870 0.108 0.000 1.073 48 L CA 1.670 56.529 54.840 0.031 0.000 0.745 48 L CB -1.007 41.058 42.059 0.009 0.000 0.894 48 L HN 0.113 nan 8.230 nan 0.000 0.432 49 Y N -0.041 120.258 120.300 -0.002 0.000 2.207 49 Y HA -0.257 4.293 4.550 -0.001 0.000 0.287 49 Y C 2.556 178.549 175.900 0.155 0.000 1.156 49 Y CA 1.713 59.900 58.100 0.146 0.000 1.182 49 Y CB -0.652 37.897 38.460 0.148 0.000 0.979 49 Y HN 0.369 nan 8.280 nan 0.000 0.521 50 D N -0.260 120.251 120.400 0.185 0.000 2.144 50 D HA -0.144 4.495 4.640 -0.001 0.000 0.200 50 D C 2.135 178.476 176.300 0.067 0.000 0.978 50 D CA 1.291 55.354 54.000 0.105 0.000 0.833 50 D CB -0.007 40.829 40.800 0.060 0.000 0.961 50 D HN 0.508 nan 8.370 nan 0.000 0.470 51 R N -0.808 119.713 120.500 0.036 0.000 2.173 51 R HA 0.156 4.496 4.340 -0.001 0.000 0.208 51 R C 1.012 177.290 176.300 -0.038 0.000 1.035 51 R CA -0.027 56.071 56.100 -0.004 0.000 1.004 51 R CB -0.334 29.953 30.300 -0.022 0.000 0.917 51 R HN 0.096 nan 8.270 nan 0.000 0.462 52 M N 2.074 121.618 119.600 -0.093 0.000 2.248 52 M HA -0.007 4.473 4.480 -0.001 0.000 0.337 52 M C 1.182 177.426 176.300 -0.094 0.000 1.121 52 M CA 0.254 55.407 55.300 -0.245 0.000 1.155 52 M CB 1.499 33.668 32.600 -0.719 0.000 1.514 52 M HN 0.273 nan 8.290 nan 0.000 0.452 53 S N 1.345 116.980 115.700 -0.108 0.000 2.503 53 S HA 0.082 4.552 4.470 -0.001 0.000 0.217 53 S C 0.648 175.364 174.600 0.193 0.000 0.999 53 S CA -0.187 58.046 58.200 0.055 0.000 0.914 53 S CB -0.154 63.051 63.200 0.008 0.000 0.782 53 S HN 0.756 nan 8.310 nan 0.000 0.520 54 F N 0.754 120.636 119.950 -0.113 0.000 3.084 54 F HA -0.138 4.389 4.527 -0.000 0.000 0.286 54 F C 0.161 175.975 175.800 0.023 0.000 0.855 54 F CA 0.380 58.320 58.000 -0.099 0.000 1.091 54 F CB -1.950 36.966 39.000 -0.140 0.000 1.177 54 F HN 0.118 nan 8.300 nan 0.000 0.542 55 K N 1.102 121.584 120.400 0.137 0.000 2.350 55 K HA 0.140 4.460 4.320 -0.001 0.000 0.279 55 K C 0.312 177.025 176.600 0.189 0.000 1.027 55 K CA -0.102 56.269 56.287 0.141 0.000 0.969 55 K CB 0.543 33.087 32.500 0.072 0.000 0.954 55 K HN 0.072 nan 8.250 nan 0.000 0.474 56 D N 3.210 123.733 120.400 0.206 0.000 2.564 56 D HA 0.152 4.792 4.640 -0.001 0.000 0.226 56 D C -0.454 175.894 176.300 0.079 0.000 1.149 56 D CA -0.591 53.533 54.000 0.207 0.000 0.994 56 D CB -0.599 40.330 40.800 0.215 0.000 1.029 56 D HN 0.425 nan 8.370 nan 0.000 0.517 57 I N -0.900 119.704 120.570 0.056 0.000 2.577 57 I HA 0.457 4.627 4.170 -0.001 0.000 0.305 57 I C -0.043 176.065 176.117 -0.014 0.000 0.986 57 I CA -0.711 60.600 61.300 0.017 0.000 1.189 57 I CB 1.350 39.360 38.000 0.017 0.000 1.355 57 I HN -0.144 nan 8.210 nan 0.000 0.476 58 D N 3.978 124.368 120.400 -0.017 0.000 2.342 58 D HA 0.218 4.858 4.640 -0.001 0.000 0.260 58 D C 0.996 177.282 176.300 -0.022 0.000 1.278 58 D CA 0.169 54.153 54.000 -0.027 0.000 0.910 58 D CB 1.215 42.006 40.800 -0.014 0.000 1.079 58 D HN 0.848 nan 8.370 nan 0.000 0.496 59 G N 2.420 111.189 108.800 -0.052 0.000 2.985 59 G HA2 0.425 4.385 3.960 -0.001 0.000 0.209 59 G HA3 0.425 4.385 3.960 -0.001 0.000 0.209 59 G C 0.886 175.786 174.900 0.000 0.000 1.165 59 G CA 0.362 45.435 45.100 -0.045 0.000 0.776 59 G HN 0.907 nan 8.290 nan 0.000 0.541 60 G N -0.658 108.147 108.800 0.009 0.000 2.418 60 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.206 60 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.206 60 G C 1.152 176.074 174.900 0.037 0.000 1.202 60 G CA 0.619 45.737 45.100 0.030 0.000 1.061 60 G HN 1.073 nan 8.290 nan 0.000 0.563 61 V N -3.604 116.332 119.914 0.036 0.000 2.407 61 V HA 0.098 4.218 4.120 -0.001 0.000 0.248 61 V C 1.437 177.562 176.094 0.051 0.000 1.055 61 V CA 2.371 64.676 62.300 0.009 0.000 1.049 61 V CB -0.546 31.248 31.823 -0.048 0.000 0.662 61 V HN 1.380 nan 8.190 nan 0.000 0.455 62 W N 2.715 123.924 121.300 -0.152 0.000 2.422 62 W HA 0.437 5.097 4.660 -0.001 0.000 0.349 62 W C 1.069 177.547 176.519 -0.068 0.000 1.062 62 W CA -1.781 55.461 57.345 -0.171 0.000 1.497 62 W CB 0.335 29.662 29.460 -0.223 0.000 1.407 62 W HN 0.048 nan 8.180 nan 0.000 0.393 63 K N 2.885 123.374 120.400 0.149 0.000 2.147 63 K HA -0.169 4.150 4.320 -0.001 0.000 0.205 63 K C 0.831 177.356 176.600 -0.126 0.000 1.049 63 K CA 1.428 57.709 56.287 -0.010 0.000 0.936 63 K CB 0.116 32.606 32.500 -0.016 0.000 0.722 63 K HN 0.578 nan 8.250 nan 0.000 0.446 64 Q N -0.621 119.067 119.800 -0.187 0.000 2.172 64 Q HA 0.178 4.518 4.340 -0.001 0.000 0.217 64 Q C 0.761 176.411 176.000 -0.583 0.000 0.832 64 Q CA -0.333 55.336 55.803 -0.223 0.000 1.010 64 Q CB 1.307 30.045 28.738 0.000 0.000 1.133 64 Q HN 0.222 nan 8.270 nan 0.000 0.489 65 G N 0.623 108.642 108.800 -1.302 0.000 3.392 65 G HA2 0.534 4.493 3.960 -0.001 0.000 0.185 65 G HA3 0.534 4.493 3.960 -0.001 0.000 0.185 65 G C -1.451 173.123 174.900 -0.544 0.000 1.206 65 G CA -0.340 43.678 45.100 -1.804 0.000 0.776 65 G HN 0.354 nan 8.290 nan 0.000 0.697 66 W N -1.334 119.665 121.300 -0.502 0.000 2.988 66 W HA 0.643 5.303 4.660 -0.000 0.000 0.355 66 W C -1.451 175.145 176.519 0.129 0.000 1.233 66 W CA -1.175 56.109 57.345 -0.102 0.000 1.176 66 W CB 0.672 30.090 29.460 -0.070 0.000 1.477 66 W HN 0.185 nan 8.180 nan 0.000 0.582 67 N N 2.102 120.953 118.700 0.251 0.000 2.399 67 N HA 0.226 4.966 4.740 -0.001 0.000 0.259 67 N C -0.316 175.328 175.510 0.223 0.000 1.160 67 N CA 0.007 53.157 53.050 0.166 0.000 0.946 67 N CB 0.397 38.982 38.487 0.163 0.000 1.156 67 N HN 0.408 nan 8.380 nan 0.000 0.489 68 I N 2.019 122.629 120.570 0.066 0.000 2.588 68 I HA 0.018 4.188 4.170 -0.001 0.000 0.283 68 I C 0.832 177.108 176.117 0.265 0.000 1.119 68 I CA 0.321 61.730 61.300 0.183 0.000 1.419 68 I CB 0.520 38.576 38.000 0.093 0.000 1.394 68 I HN 0.134 nan 8.210 nan 0.000 0.562 69 K N 5.887 126.480 120.400 0.322 0.000 2.318 69 K HA 0.604 4.924 4.320 -0.001 0.000 0.249 69 K C -1.394 175.369 176.600 0.272 0.000 0.942 69 K CA -0.707 55.699 56.287 0.199 0.000 0.808 69 K CB 2.323 34.907 32.500 0.140 0.000 1.189 69 K HN 0.488 nan 8.250 nan 0.000 0.428 70 Y N -1.932 118.461 120.300 0.155 0.000 2.588 70 Y HA 0.417 4.966 4.550 -0.001 0.000 0.343 70 Y C -1.165 174.804 175.900 0.114 0.000 1.065 70 Y CA -1.540 56.652 58.100 0.154 0.000 1.038 70 Y CB 1.176 39.761 38.460 0.207 0.000 1.297 70 Y HN 0.393 nan 8.280 nan 0.000 0.467 71 D N 4.093 124.626 120.400 0.222 0.000 2.339 71 D HA 0.271 4.910 4.640 -0.001 0.000 0.241 71 D C -1.645 174.786 176.300 0.217 0.000 1.183 71 D CA -2.694 51.372 54.000 0.109 0.000 0.859 71 D CB 1.566 42.402 40.800 0.061 0.000 1.067 71 D HN 0.442 nan 8.370 nan 0.000 0.484 72 P HA -0.129 nan 4.420 nan 0.000 0.221 72 P C 1.414 178.831 177.300 0.194 0.000 1.145 72 P CA 0.728 64.008 63.100 0.301 0.000 0.795 72 P CB 0.330 32.150 31.700 0.200 0.000 0.775 73 L N -0.592 120.687 121.223 0.092 0.000 2.610 73 L HA 0.045 4.385 4.340 -0.001 0.000 0.232 73 L C 2.673 179.527 176.870 -0.028 0.000 1.149 73 L CA 0.534 55.401 54.840 0.046 0.000 0.872 73 L CB -0.733 41.343 42.059 0.029 0.000 0.992 73 L HN -0.012 nan 8.230 nan 0.000 0.447 74 K N 0.685 120.995 120.400 -0.149 0.000 2.097 74 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 74 K C -0.020 176.333 176.600 -0.413 0.000 1.049 74 K CA 1.080 57.139 56.287 -0.379 0.000 0.933 74 K CB 0.058 32.169 32.500 -0.649 0.000 0.717 74 K HN 0.149 nan 8.250 nan 0.000 0.442 75 Y N 0.766 121.180 120.300 0.190 0.000 2.387 75 Y HA 0.275 4.825 4.550 -0.000 0.000 0.330 75 Y C 0.087 176.058 175.900 0.119 0.000 1.133 75 Y CA -1.138 57.064 58.100 0.169 0.000 1.152 75 Y CB 1.271 39.782 38.460 0.086 0.000 1.215 75 Y HN 0.234 nan 8.280 nan 0.000 0.466 76 N N -0.747 118.078 118.700 0.208 0.000 3.179 76 N HA 0.443 5.182 4.740 -0.001 0.000 0.250 76 N C -0.099 175.407 175.510 -0.007 0.000 1.507 76 N CA -0.448 52.652 53.050 0.083 0.000 0.883 76 N CB 0.440 38.960 38.487 0.056 0.000 1.435 76 N HN 0.547 nan 8.380 nan 0.000 0.532 77 A N -1.162 121.559 122.820 -0.166 0.000 2.032 77 A HA -0.195 4.125 4.320 -0.001 0.000 0.221 77 A C 0.797 178.188 177.584 -0.321 0.000 1.165 77 A CA 1.433 53.293 52.037 -0.296 0.000 0.645 77 A CB -1.058 17.675 19.000 -0.445 0.000 0.807 77 A HN 0.686 nan 8.150 nan 0.000 0.453 78 H N -2.424 116.700 119.070 0.090 0.000 2.529 78 H HA 0.163 4.719 4.556 -0.001 0.000 0.277 78 H C -0.098 175.331 175.328 0.168 0.000 1.004 78 H CA 0.454 56.560 56.048 0.096 0.000 1.167 78 H CB 0.002 29.808 29.762 0.075 0.000 1.445 78 H HN 0.696 nan 8.280 nan 0.000 0.554 79 H N 0.691 119.817 119.070 0.094 0.000 2.809 79 H HA 0.217 4.773 4.556 -0.000 0.000 0.268 79 H C -0.771 174.640 175.328 0.139 0.000 1.403 79 H CA -0.262 55.852 56.048 0.111 0.000 1.564 79 H CB 0.641 30.470 29.762 0.112 0.000 1.834 79 H HN 0.122 nan 8.280 nan 0.000 0.613 80 K N 2.113 122.441 120.400 -0.119 0.000 2.087 80 K HA 0.243 4.563 4.320 -0.001 0.000 0.255 80 K C -0.358 176.105 176.600 -0.228 0.000 0.988 80 K CA -1.104 55.118 56.287 -0.107 0.000 0.915 80 K CB 1.945 34.383 32.500 -0.104 0.000 1.043 80 K HN 0.129 nan 8.250 nan 0.000 0.457 81 L N 2.470 123.531 121.223 -0.269 0.000 2.278 81 L HA 0.147 4.486 4.340 -0.001 0.000 0.287 81 L C -0.871 175.796 176.870 -0.338 0.000 1.072 81 L CA 0.223 54.832 54.840 -0.384 0.000 0.819 81 L CB 0.129 41.803 42.059 -0.643 0.000 1.176 81 L HN 0.382 nan 8.230 nan 0.000 0.435 82 K N 5.072 125.277 120.400 -0.326 0.000 2.248 82 K HA 0.500 4.819 4.320 -0.001 0.000 0.281 82 K C -1.074 175.196 176.600 -0.549 0.000 1.054 82 K CA -0.657 55.371 56.287 -0.432 0.000 0.903 82 K CB 1.565 33.842 32.500 -0.372 0.000 1.077 82 K HN 0.385 nan 8.250 nan 0.000 0.474 83 V N 4.601 124.077 119.914 -0.730 0.000 2.417 83 V HA 0.373 4.493 4.120 -0.001 0.000 0.291 83 V C -0.811 174.748 176.094 -0.892 0.000 1.024 83 V CA -0.792 61.028 62.300 -0.799 0.000 0.861 83 V CB 0.683 31.854 31.823 -1.087 0.000 0.985 83 V HN 0.573 nan 8.190 nan 0.000 0.436 84 F N 3.501 123.197 119.950 -0.423 0.000 2.375 84 F HA 0.510 5.036 4.527 -0.001 0.000 0.361 84 F C 0.122 175.738 175.800 -0.306 0.000 1.117 84 F CA -0.760 57.049 58.000 -0.318 0.000 1.037 84 F CB 1.841 40.724 39.000 -0.195 0.000 1.192 84 F HN 0.185 nan 8.300 nan 0.000 0.452 85 V N 5.189 125.072 119.914 -0.052 0.000 2.385 85 V HA 0.277 4.397 4.120 -0.001 0.000 0.269 85 V C -0.231 175.969 176.094 0.175 0.000 1.043 85 V CA -0.619 61.710 62.300 0.050 0.000 0.906 85 V CB 1.322 33.245 31.823 0.167 0.000 0.995 85 V HN 0.430 nan 8.190 nan 0.000 0.467 86 V N 8.465 128.430 119.914 0.084 0.000 2.293 86 V HA 0.317 4.436 4.120 -0.001 0.000 0.275 86 V C -2.356 173.783 176.094 0.076 0.000 1.021 86 V CA -1.922 60.396 62.300 0.030 0.000 0.815 86 V CB 1.441 33.189 31.823 -0.126 0.000 1.025 86 V HN 0.723 nan 8.190 nan 0.000 0.448 87 P HA 0.341 nan 4.420 nan 0.000 0.271 87 P C -0.863 176.451 177.300 0.024 0.000 1.216 87 P CA 0.241 63.326 63.100 -0.026 0.000 0.776 87 P CB 0.383 31.873 31.700 -0.350 0.000 0.881 88 H N -1.230 117.855 119.070 0.024 0.000 2.981 88 H HA 0.793 5.349 4.556 -0.001 0.000 0.327 88 H C -1.518 173.928 175.328 0.196 0.000 1.342 88 H CA -1.111 54.847 56.048 -0.150 0.000 1.123 88 H CB 0.921 30.559 29.762 -0.206 0.000 1.851 88 H HN 0.208 nan 8.280 nan 0.000 0.531 89 S N 0.539 116.270 115.700 0.051 0.000 2.720 89 S HA 0.224 4.694 4.470 -0.001 0.000 0.278 89 S C -1.889 172.659 174.600 -0.087 0.000 1.172 89 S CA -0.674 57.598 58.200 0.120 0.000 1.019 89 S CB 0.327 63.780 63.200 0.421 0.000 1.049 89 S HN 0.848 nan 8.310 nan 0.000 0.483 90 H N 4.088 123.075 119.070 -0.138 0.000 2.782 90 H HA 0.529 5.085 4.556 -0.001 0.000 0.285 90 H C -0.650 174.299 175.328 -0.632 0.000 1.093 90 H CA 0.085 55.959 56.048 -0.290 0.000 1.410 90 H CB 0.214 29.846 29.762 -0.215 0.000 1.439 90 H HN 0.522 nan 8.280 nan 0.000 0.469 91 N N 4.479 122.529 118.700 -1.084 0.000 2.476 91 N HA 0.150 4.890 4.740 -0.001 0.000 0.257 91 N C -1.343 173.725 175.510 -0.736 0.000 0.970 91 N CA -0.675 51.647 53.050 -1.215 0.000 0.938 91 N CB 1.082 39.165 38.487 -0.673 0.000 1.144 91 N HN 0.555 nan 8.380 nan 0.000 0.500 92 D N 2.296 122.330 120.400 -0.610 0.000 2.277 92 D HA 0.166 4.805 4.640 -0.001 0.000 0.249 92 D C -2.116 174.261 176.300 0.128 0.000 1.134 92 D CA -1.264 52.645 54.000 -0.152 0.000 0.863 92 D CB 1.492 42.450 40.800 0.263 0.000 1.143 92 D HN 0.251 nan 8.370 nan 0.000 0.458 93 P HA 0.230 nan 4.420 nan 0.000 0.226 93 P C -0.147 177.348 177.300 0.325 0.000 1.783 93 P CA -0.087 63.012 63.100 -0.003 0.000 0.980 93 P CB 0.252 31.824 31.700 -0.212 0.000 1.967 94 G N 0.352 109.522 108.800 0.616 0.000 3.069 94 G HA2 0.032 3.992 3.960 -0.001 0.000 0.686 94 G HA3 0.032 3.992 3.960 -0.001 0.000 0.686 94 G C -1.151 174.294 174.900 0.908 0.000 1.161 94 G CA -0.690 44.806 45.100 0.660 0.000 0.804 94 G HN 0.329 nan 8.290 nan 0.000 0.608 95 W N 2.522 124.182 121.300 0.600 0.000 4.518 95 W HA 0.298 4.958 4.660 -0.000 0.000 0.160 95 W C 0.887 177.602 176.519 0.326 0.000 3.470 95 W CA 0.997 58.660 57.345 0.531 0.000 1.183 95 W CB -0.768 29.084 29.460 0.653 0.000 2.083 95 W HN 0.503 nan 8.180 nan 0.000 0.403 96 I N 1.860 122.507 120.570 0.128 0.000 2.852 96 I HA 0.139 4.308 4.170 -0.001 0.000 0.264 96 I C 0.498 176.522 176.117 -0.155 0.000 1.179 96 I CA 1.074 62.261 61.300 -0.187 0.000 1.480 96 I CB -1.185 36.664 38.000 -0.251 0.000 1.111 96 I HN 0.087 nan 8.210 nan 0.000 0.441 97 Q N -0.016 119.513 119.800 -0.452 0.000 2.445 97 Q HA 0.387 4.727 4.340 -0.001 0.000 0.281 97 Q C 0.126 175.893 176.000 -0.387 0.000 1.101 97 Q CA -0.652 54.835 55.803 -0.526 0.000 0.833 97 Q CB 1.974 30.125 28.738 -0.978 0.000 1.416 97 Q HN 0.240 nan 8.270 nan 0.000 0.451 98 T N -2.199 112.241 114.554 -0.189 0.000 2.788 98 T HA 0.120 4.469 4.350 -0.001 0.000 0.287 98 T C 0.778 175.579 174.700 0.168 0.000 1.007 98 T CA -0.473 61.594 62.100 -0.055 0.000 1.005 98 T CB 0.304 69.165 68.868 -0.011 0.000 1.012 98 T HN 0.574 nan 8.240 nan 0.000 0.530 99 F N 1.174 121.195 119.950 0.117 0.000 2.063 99 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 99 F C 2.475 178.459 175.800 0.307 0.000 1.109 99 F CA 2.386 60.526 58.000 0.232 0.000 1.212 99 F CB -0.323 38.708 39.000 0.053 0.000 0.973 99 F HN 0.772 nan 8.300 nan 0.000 0.480 100 E N 0.368 120.797 120.200 0.381 0.000 2.106 100 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 100 E C 2.006 178.664 176.600 0.097 0.000 0.984 100 E CA 1.694 58.255 56.400 0.268 0.000 0.806 100 E CB -0.264 29.587 29.700 0.250 0.000 0.750 100 E HN 0.618 nan 8.360 nan 0.000 0.458 101 E N -1.043 119.156 120.200 -0.001 0.000 2.047 101 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 101 E C 1.826 178.247 176.600 -0.299 0.000 0.987 101 E CA 1.171 57.419 56.400 -0.254 0.000 0.799 101 E CB -0.241 29.378 29.700 -0.135 0.000 0.752 101 E HN 0.346 nan 8.360 nan 0.000 0.449 102 Y N -0.583 119.680 120.300 -0.062 0.000 2.224 102 Y HA -0.249 4.300 4.550 -0.001 0.000 0.289 102 Y C 2.178 178.008 175.900 -0.117 0.000 1.146 102 Y CA 1.214 59.261 58.100 -0.089 0.000 1.182 102 Y CB -0.685 37.813 38.460 0.062 0.000 0.983 102 Y HN 0.196 nan 8.280 nan 0.000 0.524 103 Y N 0.939 121.236 120.300 -0.004 0.000 2.128 103 Y HA -0.287 4.263 4.550 -0.001 0.000 0.284 103 Y C 2.255 178.102 175.900 -0.089 0.000 1.154 103 Y CA 1.878 59.922 58.100 -0.093 0.000 1.149 103 Y CB -0.325 38.086 38.460 -0.081 0.000 0.976 103 Y HN 0.062 nan 8.280 nan 0.000 0.505 104 Q N -0.814 118.876 119.800 -0.184 0.000 2.123 104 Q HA -0.146 4.193 4.340 -0.001 0.000 0.199 104 Q C 2.004 177.958 176.000 -0.076 0.000 0.966 104 Q CA 2.027 57.693 55.803 -0.229 0.000 0.845 104 Q CB -0.475 28.167 28.738 -0.161 0.000 0.907 104 Q HN 0.779 nan 8.270 nan 0.000 0.439 105 H N -0.849 118.242 119.070 0.035 0.000 2.520 105 H HA 0.082 4.638 4.556 -0.001 0.000 0.279 105 H C 0.862 176.276 175.328 0.144 0.000 0.990 105 H CA 0.490 56.590 56.048 0.087 0.000 1.288 105 H CB 0.742 30.519 29.762 0.024 0.000 1.446 105 H HN 0.174 nan 8.280 nan 0.000 0.538 106 D N -1.103 119.395 120.400 0.164 0.000 2.954 106 D HA 0.009 4.649 4.640 -0.001 0.000 0.266 106 D C 1.678 178.023 176.300 0.075 0.000 1.277 106 D CA 0.527 54.607 54.000 0.132 0.000 1.130 106 D CB 0.062 40.823 40.800 -0.064 0.000 1.440 106 D HN 0.052 nan 8.370 nan 0.000 0.427 107 T N 2.482 116.990 114.554 -0.076 0.000 2.821 107 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 107 T C 1.936 176.442 174.700 -0.324 0.000 1.046 107 T CA 1.446 63.455 62.100 -0.151 0.000 1.139 107 T CB -0.059 68.533 68.868 -0.459 0.000 0.871 107 T HN 0.237 nan 8.240 nan 0.000 0.454 108 K N 0.815 120.832 120.400 -0.638 0.000 2.147 108 K HA -0.161 4.159 4.320 -0.001 0.000 0.205 108 K C 1.931 178.248 176.600 -0.472 0.000 1.049 108 K CA 1.438 57.329 56.287 -0.661 0.000 0.936 108 K CB -0.371 31.512 32.500 -1.028 0.000 0.722 108 K HN 0.403 nan 8.250 nan 0.000 0.446 109 H N 0.970 119.953 119.070 -0.145 0.000 2.363 109 H HA 0.046 4.601 4.556 -0.001 0.000 0.301 109 H C 2.290 177.613 175.328 -0.009 0.000 1.074 109 H CA 1.445 57.470 56.048 -0.039 0.000 1.354 109 H CB -0.139 29.629 29.762 0.009 0.000 1.397 109 H HN 0.201 nan 8.280 nan 0.000 0.516 110 I N 0.758 121.399 120.570 0.117 0.000 2.179 110 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 110 I C 2.426 178.545 176.117 0.004 0.000 1.088 110 I CA 1.099 62.520 61.300 0.202 0.000 1.357 110 I CB -0.259 37.934 38.000 0.320 0.000 1.051 110 I HN 0.092 nan 8.210 nan 0.000 0.409 111 L N -0.335 120.662 121.223 -0.376 0.000 2.093 111 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 111 L C 2.661 179.164 176.870 -0.612 0.000 1.085 111 L CA 0.996 55.377 54.840 -0.766 0.000 0.755 111 L CB -0.489 40.536 42.059 -1.723 0.000 0.904 111 L HN 0.164 nan 8.230 nan 0.000 0.435 112 S N 0.076 115.533 115.700 -0.405 0.000 2.368 112 S HA -0.126 4.343 4.470 -0.001 0.000 0.225 112 S C 1.695 176.253 174.600 -0.069 0.000 1.030 112 S CA 1.262 59.477 58.200 0.024 0.000 0.999 112 S CB -0.267 63.010 63.200 0.129 0.000 0.844 112 S HN 0.454 nan 8.310 nan 0.000 0.459 113 N N 1.648 120.293 118.700 -0.092 0.000 2.354 113 N HA 0.133 4.872 4.740 -0.001 0.000 0.179 113 N C 1.686 176.820 175.510 -0.627 0.000 1.021 113 N CA 0.959 53.877 53.050 -0.219 0.000 0.887 113 N CB -0.494 37.985 38.487 -0.013 0.000 0.974 113 N HN 0.401 nan 8.380 nan 0.000 0.437 114 A N 0.969 123.484 122.820 -0.509 0.000 1.898 114 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 114 A C 2.172 179.454 177.584 -0.503 0.000 1.181 114 A CA 0.817 52.368 52.037 -0.809 0.000 0.620 114 A CB -0.621 18.185 19.000 -0.324 0.000 0.819 114 A HN 0.215 nan 8.150 nan 0.000 0.442 115 L N 0.146 121.226 121.223 -0.239 0.000 2.017 115 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 115 L C 2.450 179.239 176.870 -0.136 0.000 1.073 115 L CA 2.515 57.298 54.840 -0.095 0.000 0.745 115 L CB -0.669 41.412 42.059 0.036 0.000 0.894 115 L HN 0.492 nan 8.230 nan 0.000 0.432 116 R N -1.717 118.671 120.500 -0.187 0.000 2.073 116 R HA -0.213 4.126 4.340 -0.001 0.000 0.234 116 R C 2.498 178.676 176.300 -0.204 0.000 1.134 116 R CA 1.607 57.609 56.100 -0.163 0.000 0.952 116 R CB -0.651 29.563 30.300 -0.143 0.000 0.850 116 R HN 0.574 nan 8.270 nan 0.000 0.433 117 H N 0.700 119.475 119.070 -0.492 0.000 2.293 117 H HA -0.109 4.446 4.556 -0.001 0.000 0.300 117 H C 2.227 177.363 175.328 -0.319 0.000 1.082 117 H CA 2.155 57.905 56.048 -0.496 0.000 1.308 117 H CB -0.059 29.113 29.762 -0.983 0.000 1.375 117 H HN 0.213 nan 8.280 nan 0.000 0.495 118 L N -0.208 120.838 121.223 -0.295 0.000 2.046 118 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 118 L C 2.843 179.665 176.870 -0.080 0.000 1.077 118 L CA 1.391 56.142 54.840 -0.149 0.000 0.747 118 L CB -0.804 41.187 42.059 -0.113 0.000 0.896 118 L HN 0.437 nan 8.230 nan 0.000 0.432 119 H N 0.541 119.523 119.070 -0.147 0.000 2.353 119 H HA -0.210 4.345 4.556 -0.001 0.000 0.298 119 H C 1.314 176.574 175.328 -0.113 0.000 1.103 119 H CA 2.111 58.099 56.048 -0.099 0.000 1.293 119 H CB 0.180 29.891 29.762 -0.084 0.000 1.372 119 H HN 0.341 nan 8.280 nan 0.000 0.501 120 D N 0.173 120.518 120.400 -0.093 0.000 2.347 120 D HA -0.020 4.619 4.640 -0.001 0.000 0.213 120 D C -0.085 176.096 176.300 -0.197 0.000 0.985 120 D CA 0.522 54.425 54.000 -0.163 0.000 0.879 120 D CB -0.149 40.561 40.800 -0.150 0.000 0.919 120 D HN 0.411 nan 8.370 nan 0.000 0.526 121 N N 0.040 118.623 118.700 -0.195 0.000 2.716 121 N HA 0.181 4.920 4.740 -0.001 0.000 0.253 121 N C -2.209 173.271 175.510 -0.050 0.000 1.170 121 N CA -1.084 51.897 53.050 -0.114 0.000 0.807 121 N CB 2.256 40.667 38.487 -0.127 0.000 1.183 121 N HN -0.214 nan 8.380 nan 0.000 0.524 122 P HA -0.178 nan 4.420 nan 0.000 0.218 122 P C 0.723 178.045 177.300 0.038 0.000 1.146 122 P CA 1.183 64.273 63.100 -0.017 0.000 0.813 122 P CB 0.396 32.080 31.700 -0.026 0.000 0.778 123 E N -1.760 118.494 120.200 0.090 0.000 2.442 123 E HA 0.061 4.411 4.350 -0.001 0.000 0.195 123 E C 0.826 177.563 176.600 0.227 0.000 1.030 123 E CA 0.064 56.565 56.400 0.167 0.000 0.869 123 E CB -0.347 29.488 29.700 0.226 0.000 0.857 123 E HN 0.251 nan 8.360 nan 0.000 0.505 124 M N 1.465 121.136 119.600 0.119 0.000 2.240 124 M HA 0.105 4.584 4.480 -0.001 0.000 0.333 124 M C -0.306 175.987 176.300 -0.012 0.000 1.110 124 M CA 0.191 55.466 55.300 -0.041 0.000 1.173 124 M CB 0.475 33.069 32.600 -0.010 0.000 1.458 124 M HN -0.364 nan 8.290 nan 0.000 0.458 125 K N 2.901 123.255 120.400 -0.075 0.000 2.444 125 K HA 0.657 4.977 4.320 -0.001 0.000 0.252 125 K C -1.733 174.909 176.600 0.070 0.000 0.993 125 K CA -0.467 55.833 56.287 0.020 0.000 0.847 125 K CB 2.165 34.700 32.500 0.060 0.000 1.340 125 K HN 0.671 nan 8.250 nan 0.000 0.446 126 F N 1.318 121.189 119.950 -0.133 0.000 2.672 126 F HA 0.459 4.986 4.527 -0.001 0.000 0.311 126 F C -1.530 174.165 175.800 -0.175 0.000 1.113 126 F CA -1.232 56.675 58.000 -0.154 0.000 0.996 126 F CB 1.024 40.012 39.000 -0.019 0.000 1.286 126 F HN 0.453 nan 8.300 nan 0.000 0.441 127 I N 1.767 122.010 120.570 -0.546 0.000 2.693 127 I HA 0.617 4.787 4.170 -0.001 0.000 0.303 127 I C -1.771 173.918 176.117 -0.713 0.000 1.025 127 I CA -0.625 60.314 61.300 -0.602 0.000 1.086 127 I CB 2.555 40.136 38.000 -0.697 0.000 1.268 127 I HN 0.703 nan 8.210 nan 0.000 0.440 128 W N 4.412 125.323 121.300 -0.649 0.000 2.957 128 W HA 0.637 5.297 4.660 -0.001 0.000 0.336 128 W C -0.784 175.652 176.519 -0.138 0.000 1.087 128 W CA -0.541 56.555 57.345 -0.416 0.000 1.235 128 W CB 2.701 31.974 29.460 -0.310 0.000 1.399 128 W HN 0.780 nan 8.180 nan 0.000 0.480 129 A N 3.342 125.784 122.820 -0.630 0.000 2.013 129 A HA 0.169 4.488 4.320 -0.001 0.000 0.204 129 A C -0.063 177.469 177.584 -0.086 0.000 1.262 129 A CA 0.470 52.381 52.037 -0.211 0.000 0.800 129 A CB 0.023 18.945 19.000 -0.130 0.000 0.909 129 A HN 0.485 nan 8.150 nan 0.000 0.472 130 E N 0.983 121.026 120.200 -0.262 0.000 2.044 130 E HA 0.315 4.664 4.350 -0.001 0.000 0.282 130 E C 0.475 177.230 176.600 0.258 0.000 1.031 130 E CA -0.284 56.134 56.400 0.031 0.000 0.824 130 E CB 0.764 30.479 29.700 0.025 0.000 1.076 130 E HN 0.263 nan 8.360 nan 0.000 0.395 131 I N 1.536 122.149 120.570 0.073 0.000 2.761 131 I HA -0.185 3.984 4.170 -0.001 0.000 0.261 131 I C 1.896 177.645 176.117 -0.614 0.000 1.198 131 I CA 0.879 62.141 61.300 -0.063 0.000 1.482 131 I CB -1.331 36.694 38.000 0.041 0.000 1.100 131 I HN 0.411 nan 8.210 nan 0.000 0.445 132 S N 0.711 115.746 115.700 -1.109 0.000 2.370 132 S HA -0.246 4.223 4.470 -0.001 0.000 0.226 132 S C 2.185 176.495 174.600 -0.484 0.000 1.033 132 S CA 1.225 58.392 58.200 -1.721 0.000 1.011 132 S CB -1.079 61.181 63.200 -1.566 0.000 0.852 132 S HN 0.472 nan 8.310 nan 0.000 0.457 133 Y N 0.034 120.338 120.300 0.007 0.000 2.220 133 Y HA 0.056 4.606 4.550 -0.001 0.000 0.291 133 Y C 2.293 178.243 175.900 0.083 0.000 1.129 133 Y CA 0.997 59.201 58.100 0.174 0.000 1.161 133 Y CB -0.365 38.304 38.460 0.349 0.000 0.997 133 Y HN 0.302 nan 8.280 nan 0.000 0.522 134 F N 0.240 120.267 119.950 0.129 0.000 2.146 134 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 134 F C 2.319 177.951 175.800 -0.280 0.000 1.096 134 F CA 1.185 59.141 58.000 -0.074 0.000 1.275 134 F CB -0.439 38.515 39.000 -0.078 0.000 1.008 134 F HN -0.026 nan 8.300 nan 0.000 0.480 135 A N 0.215 122.671 122.820 -0.607 0.000 1.933 135 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 135 A C 2.163 179.611 177.584 -0.226 0.000 1.175 135 A CA 1.722 53.214 52.037 -0.909 0.000 0.628 135 A CB -0.750 17.573 19.000 -1.129 0.000 0.814 135 A HN 0.403 nan 8.150 nan 0.000 0.444 136 R N -1.076 119.340 120.500 -0.140 0.000 2.091 136 R HA -0.144 4.195 4.340 -0.001 0.000 0.238 136 R C 1.779 178.033 176.300 -0.076 0.000 1.136 136 R CA 2.066 58.102 56.100 -0.108 0.000 0.959 136 R CB -0.809 29.354 30.300 -0.228 0.000 0.856 136 R HN 0.471 nan 8.270 nan 0.000 0.437 137 F N -0.256 119.607 119.950 -0.145 0.000 2.084 137 F HA -0.128 4.399 4.527 -0.001 0.000 0.296 137 F C 1.969 177.672 175.800 -0.160 0.000 1.111 137 F CA 1.653 59.619 58.000 -0.056 0.000 1.224 137 F CB -0.840 38.054 39.000 -0.177 0.000 0.991 137 F HN 0.123 nan 8.300 nan 0.000 0.471 138 Y N 0.213 120.250 120.300 -0.439 0.000 2.181 138 Y HA -0.265 4.285 4.550 -0.001 0.000 0.288 138 Y C 2.724 178.427 175.900 -0.329 0.000 1.146 138 Y CA 2.260 60.100 58.100 -0.432 0.000 1.164 138 Y CB -0.712 37.618 38.460 -0.216 0.000 0.982 138 Y HN 0.137 nan 8.280 nan 0.000 0.515 139 H N -0.786 118.260 119.070 -0.040 0.000 2.491 139 H HA -0.082 4.474 4.556 -0.001 0.000 0.290 139 H C 1.096 176.312 175.328 -0.187 0.000 1.050 139 H CA 1.488 57.482 56.048 -0.091 0.000 1.309 139 H CB -0.080 29.683 29.762 0.001 0.000 1.392 139 H HN 0.444 nan 8.280 nan 0.000 0.554 140 D N 0.050 120.365 120.400 -0.142 0.000 2.349 140 D HA 0.062 4.702 4.640 -0.001 0.000 0.215 140 D C 0.612 176.736 176.300 -0.293 0.000 1.016 140 D CA 0.069 53.968 54.000 -0.170 0.000 0.870 140 D CB 0.273 41.006 40.800 -0.112 0.000 0.917 140 D HN 0.189 nan 8.370 nan 0.000 0.524 141 L N 0.581 121.528 121.223 -0.460 0.000 2.397 141 L HA 0.305 4.644 4.340 -0.001 0.000 0.271 141 L C 1.397 178.081 176.870 -0.310 0.000 1.148 141 L CA -0.585 53.981 54.840 -0.457 0.000 0.825 141 L CB 0.848 42.553 42.059 -0.590 0.000 1.117 141 L HN -0.027 nan 8.230 nan 0.000 0.456 142 G N 0.800 109.466 108.800 -0.222 0.000 2.636 142 G HA2 0.026 3.986 3.960 -0.001 0.000 0.246 142 G HA3 0.026 3.986 3.960 -0.001 0.000 0.246 142 G C 0.654 175.459 174.900 -0.158 0.000 1.216 142 G CA -0.294 44.714 45.100 -0.153 0.000 0.854 142 G HN 0.794 nan 8.290 nan 0.000 0.572 143 E N 0.121 120.258 120.200 -0.106 0.000 2.118 143 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 143 E C 2.205 178.769 176.600 -0.060 0.000 0.992 143 E CA 1.603 57.957 56.400 -0.077 0.000 0.804 143 E CB -0.129 29.551 29.700 -0.034 0.000 0.741 143 E HN 0.598 nan 8.360 nan 0.000 0.458 144 N N 0.024 118.689 118.700 -0.058 0.000 2.084 144 N HA -0.187 4.553 4.740 -0.001 0.000 0.190 144 N C 1.420 176.898 175.510 -0.053 0.000 1.030 144 N CA 1.295 54.318 53.050 -0.045 0.000 0.849 144 N CB 0.030 38.488 38.487 -0.048 0.000 1.012 144 N HN 0.029 nan 8.380 nan 0.000 0.423 145 K N 1.259 121.607 120.400 -0.087 0.000 2.155 145 K HA -0.018 4.302 4.320 -0.001 0.000 0.203 145 K C 2.015 178.579 176.600 -0.060 0.000 1.052 145 K CA 0.610 56.844 56.287 -0.088 0.000 0.948 145 K CB -0.179 32.245 32.500 -0.127 0.000 0.728 145 K HN 0.318 nan 8.250 nan 0.000 0.448 146 K N 0.818 121.140 120.400 -0.130 0.000 2.063 146 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 146 K C 2.259 178.940 176.600 0.134 0.000 1.048 146 K CA 1.079 57.303 56.287 -0.106 0.000 0.928 146 K CB -0.204 32.133 32.500 -0.272 0.000 0.713 146 K HN 0.047 nan 8.250 nan 0.000 0.442 147 L N 1.024 122.293 121.223 0.076 0.000 2.046 147 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 147 L C 2.561 179.500 176.870 0.116 0.000 1.077 147 L CA 1.289 56.191 54.840 0.104 0.000 0.747 147 L CB -0.387 41.710 42.059 0.062 0.000 0.896 147 L HN 0.259 nan 8.230 nan 0.000 0.432 148 Q N -0.870 118.980 119.800 0.085 0.000 2.084 148 Q HA -0.260 4.079 4.340 -0.001 0.000 0.202 148 Q C 2.209 178.303 176.000 0.156 0.000 0.978 148 Q CA 1.659 57.522 55.803 0.101 0.000 0.844 148 Q CB -0.191 28.549 28.738 0.004 0.000 0.898 148 Q HN 0.366 nan 8.270 nan 0.000 0.426 149 M N 1.173 120.892 119.600 0.200 0.000 2.117 149 M HA -0.148 4.332 4.480 -0.001 0.000 0.262 149 M C 1.597 178.081 176.300 0.308 0.000 1.065 149 M CA 1.751 57.234 55.300 0.305 0.000 1.114 149 M CB 0.044 32.922 32.600 0.463 0.000 1.361 149 M HN -0.099 nan 8.290 nan 0.000 0.408 150 K N -1.077 119.503 120.400 0.301 0.000 2.147 150 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 150 K C 2.277 178.973 176.600 0.161 0.000 1.049 150 K CA 1.508 57.937 56.287 0.236 0.000 0.936 150 K CB -0.396 32.229 32.500 0.208 0.000 0.722 150 K HN 0.396 nan 8.250 nan 0.000 0.446 151 S N 1.568 117.353 115.700 0.143 0.000 2.368 151 S HA -0.093 4.376 4.470 -0.001 0.000 0.224 151 S C 1.970 176.624 174.600 0.090 0.000 1.029 151 S CA 1.091 59.354 58.200 0.105 0.000 0.988 151 S CB -0.242 63.020 63.200 0.104 0.000 0.838 151 S HN 0.387 nan 8.310 nan 0.000 0.462 152 I N -0.721 119.913 120.570 0.106 0.000 2.614 152 I HA 0.013 4.183 4.170 -0.001 0.000 0.258 152 I C 1.864 178.011 176.117 0.051 0.000 1.189 152 I CA 0.818 62.161 61.300 0.072 0.000 1.462 152 I CB -0.406 37.637 38.000 0.072 0.000 1.092 152 I HN 0.106 nan 8.210 nan 0.000 0.442 153 V N 1.506 121.468 119.914 0.080 0.000 2.346 153 V HA -0.181 3.939 4.120 -0.001 0.000 0.244 153 V C 2.699 178.824 176.094 0.052 0.000 1.037 153 V CA 2.001 64.335 62.300 0.057 0.000 1.029 153 V CB -0.688 31.225 31.823 0.151 0.000 0.663 153 V HN 0.433 nan 8.190 nan 0.000 0.454 154 K N 1.509 121.949 120.400 0.067 0.000 2.147 154 K HA -0.219 4.101 4.320 -0.001 0.000 0.205 154 K C 1.739 178.355 176.600 0.026 0.000 1.049 154 K CA 1.821 58.136 56.287 0.046 0.000 0.936 154 K CB -0.188 32.342 32.500 0.049 0.000 0.722 154 K HN 0.663 nan 8.250 nan 0.000 0.446 155 N N -0.602 118.114 118.700 0.026 0.000 2.398 155 N HA 0.006 4.745 4.740 -0.001 0.000 0.188 155 N C 0.838 176.351 175.510 0.005 0.000 1.122 155 N CA 1.036 54.095 53.050 0.014 0.000 0.866 155 N CB 0.476 38.972 38.487 0.014 0.000 0.970 155 N HN 0.312 nan 8.380 nan 0.000 0.462 156 G N -0.246 108.553 108.800 -0.002 0.000 2.157 156 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.248 156 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.248 156 G C 0.769 175.656 174.900 -0.022 0.000 0.979 156 G CA 0.472 45.561 45.100 -0.019 0.000 0.650 156 G HN 0.454 nan 8.290 nan 0.000 0.529 157 Q N -1.344 118.450 119.800 -0.010 0.000 2.096 157 Q HA 0.239 4.578 4.340 -0.001 0.000 0.197 157 Q C 1.128 177.120 176.000 -0.013 0.000 0.964 157 Q CA 0.974 56.777 55.803 -0.001 0.000 0.838 157 Q CB 0.217 28.960 28.738 0.007 0.000 0.906 157 Q HN 0.566 nan 8.270 nan 0.000 0.444 158 L N 1.266 122.461 121.223 -0.046 0.000 2.272 158 L HA 0.301 4.641 4.340 -0.001 0.000 0.289 158 L C -0.941 175.756 176.870 -0.289 0.000 1.032 158 L CA -0.070 54.698 54.840 -0.119 0.000 0.810 158 L CB 1.471 43.465 42.059 -0.108 0.000 1.205 158 L HN -0.062 nan 8.230 nan 0.000 0.422 159 E N 4.338 124.330 120.200 -0.345 0.000 2.210 159 E HA 0.363 4.713 4.350 -0.001 0.000 0.266 159 E C -1.457 174.868 176.600 -0.458 0.000 0.883 159 E CA -0.715 55.479 56.400 -0.344 0.000 0.761 159 E CB 1.028 30.609 29.700 -0.200 0.000 1.156 159 E HN 0.529 nan 8.360 nan 0.000 0.412 160 F N 3.113 123.012 119.950 -0.085 0.000 2.412 160 F HA 0.233 4.760 4.527 -0.001 0.000 0.348 160 F C 0.277 176.041 175.800 -0.060 0.000 1.102 160 F CA -0.571 57.390 58.000 -0.065 0.000 1.196 160 F CB 1.239 40.212 39.000 -0.045 0.000 1.144 160 F HN 0.190 nan 8.300 nan 0.000 0.541 161 V N 0.039 120.009 119.914 0.094 0.000 2.495 161 V HA 0.616 4.735 4.120 -0.001 0.000 0.298 161 V C 0.190 176.403 176.094 0.199 0.000 1.031 161 V CA -0.530 61.818 62.300 0.079 0.000 0.871 161 V CB 0.842 32.594 31.823 -0.118 0.000 0.988 161 V HN 1.002 nan 8.190 nan 0.000 0.432 162 T N 3.358 118.106 114.554 0.323 0.000 13.132 162 T HA -0.301 4.049 4.350 -0.001 0.000 0.419 162 T C 1.726 176.650 174.700 0.373 0.000 1.442 162 T CA 2.837 65.176 62.100 0.398 0.000 2.366 162 T CB -1.683 67.320 68.868 0.225 0.000 2.813 162 T HN 2.771 nan 8.240 nan 0.000 0.650 163 G N 1.796 110.753 108.800 0.262 0.000 2.136 163 G HA2 0.112 4.071 3.960 -0.001 0.000 0.242 163 G HA3 0.112 4.071 3.960 -0.001 0.000 0.242 163 G C 0.313 175.350 174.900 0.228 0.000 0.989 163 G CA 0.593 45.825 45.100 0.220 0.000 0.682 163 G HN 1.560 nan 8.290 nan 0.000 0.522 164 G N -1.613 107.320 108.800 0.222 0.000 2.572 164 G HA2 0.369 4.329 3.960 -0.001 0.000 0.261 164 G HA3 0.369 4.329 3.960 -0.001 0.000 0.261 164 G C 0.978 176.050 174.900 0.286 0.000 1.197 164 G CA 0.185 45.429 45.100 0.239 0.000 0.870 164 G HN 0.341 nan 8.290 nan 0.000 0.548 165 W N 0.345 121.689 121.300 0.074 0.000 2.342 165 W HA -0.048 4.611 4.660 -0.001 0.000 0.297 165 W C 0.679 177.228 176.519 0.050 0.000 1.213 165 W CA 1.956 59.332 57.345 0.050 0.000 1.251 165 W CB 0.227 29.700 29.460 0.023 0.000 1.136 165 W HN 0.401 nan 8.180 nan 0.000 0.526 166 V N -2.693 117.338 119.914 0.196 0.000 3.105 166 V HA 0.504 4.623 4.120 -0.001 0.000 0.311 166 V C -0.453 175.722 176.094 0.136 0.000 1.287 166 V CA -1.286 61.073 62.300 0.098 0.000 1.066 166 V CB 1.733 33.632 31.823 0.126 0.000 1.105 166 V HN -0.053 nan 8.190 nan 0.000 0.462 167 M N 3.974 123.680 119.600 0.177 0.000 2.055 167 M HA 0.519 4.999 4.480 -0.001 0.000 0.346 167 M C -2.714 173.743 176.300 0.261 0.000 1.074 167 M CA -1.909 53.514 55.300 0.206 0.000 1.009 167 M CB 1.515 34.260 32.600 0.241 0.000 1.423 167 M HN 0.648 nan 8.290 nan 0.000 0.410 168 P HA 0.120 nan 4.420 nan 0.000 0.274 168 P C -0.972 176.337 177.300 0.015 0.000 1.231 168 P CA -0.166 62.983 63.100 0.080 0.000 0.790 168 P CB 0.601 32.336 31.700 0.058 0.000 0.951 169 D N 0.837 121.207 120.400 -0.050 0.000 2.449 169 D HA -0.072 4.567 4.640 -0.001 0.000 0.236 169 D C 0.698 177.006 176.300 0.013 0.000 1.149 169 D CA 0.653 54.604 54.000 -0.081 0.000 0.878 169 D CB 0.446 41.207 40.800 -0.065 0.000 1.198 169 D HN 0.313 nan 8.370 nan 0.000 0.446 170 E N 1.408 121.659 120.200 0.085 0.000 2.526 170 E HA 0.187 4.537 4.350 -0.001 0.000 0.208 170 E C 0.874 177.645 176.600 0.285 0.000 0.997 170 E CA 0.030 56.547 56.400 0.193 0.000 0.961 170 E CB 0.676 30.510 29.700 0.224 0.000 1.030 170 E HN 0.480 nan 8.360 nan 0.000 0.483 171 A N 1.422 124.357 122.820 0.192 0.000 1.901 171 A HA 0.023 4.342 4.320 -0.001 0.000 0.210 171 A C 1.812 179.277 177.584 -0.198 0.000 1.208 171 A CA 0.572 52.490 52.037 -0.198 0.000 0.644 171 A CB 0.049 18.904 19.000 -0.242 0.000 0.863 171 A HN 0.033 nan 8.150 nan 0.000 0.454 172 N N 0.668 119.342 118.700 -0.044 0.000 2.356 172 N HA 0.010 4.749 4.740 -0.001 0.000 0.178 172 N C 0.440 175.937 175.510 -0.023 0.000 1.075 172 N CA 0.749 53.769 53.050 -0.050 0.000 0.889 172 N CB 0.068 38.569 38.487 0.023 0.000 0.999 172 N HN 0.495 nan 8.380 nan 0.000 0.464 173 S N 0.823 116.520 115.700 -0.005 0.000 2.549 173 S HA 0.026 4.495 4.470 -0.001 0.000 0.283 173 S C 0.039 174.653 174.600 0.023 0.000 1.320 173 S CA -0.549 57.661 58.200 0.016 0.000 1.058 173 S CB 1.070 64.282 63.200 0.019 0.000 0.882 173 S HN 0.206 nan 8.310 nan 0.000 0.498 174 H N 3.498 122.545 119.070 -0.039 0.000 2.582 174 H HA 0.041 4.596 4.556 -0.001 0.000 0.345 174 H C 1.264 176.565 175.328 -0.045 0.000 1.104 174 H CA -0.205 55.806 56.048 -0.060 0.000 1.390 174 H CB 0.529 30.204 29.762 -0.145 0.000 1.461 174 H HN 1.029 nan 8.280 nan 0.000 0.551 175 W N 5.739 126.930 121.300 -0.182 0.000 2.350 175 W HA -0.174 4.486 4.660 -0.000 0.000 0.289 175 W C 1.109 177.693 176.519 0.108 0.000 1.215 175 W CA 0.417 57.738 57.345 -0.041 0.000 1.236 175 W CB -0.493 28.886 29.460 -0.135 0.000 1.130 175 W HN 0.534 nan 8.180 nan 0.000 0.541 176 R N 0.804 120.923 120.500 -0.634 0.000 2.096 176 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 176 R C 1.997 178.135 176.300 -0.270 0.000 1.127 176 R CA 1.878 57.515 56.100 -0.772 0.000 0.968 176 R CB -0.415 29.381 30.300 -0.839 0.000 0.861 176 R HN 0.153 nan 8.270 nan 0.000 0.440 177 N N -0.200 118.425 118.700 -0.125 0.000 2.376 177 N HA -0.054 4.686 4.740 -0.001 0.000 0.177 177 N C 1.690 177.202 175.510 0.004 0.000 1.024 177 N CA 0.673 53.690 53.050 -0.055 0.000 0.893 177 N CB 0.045 38.517 38.487 -0.026 0.000 0.980 177 N HN 0.006 nan 8.380 nan 0.000 0.439 178 V N 1.351 121.290 119.914 0.043 0.000 2.358 178 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 178 V C 2.291 178.428 176.094 0.073 0.000 1.047 178 V CA 0.992 63.334 62.300 0.072 0.000 1.035 178 V CB -0.423 31.463 31.823 0.104 0.000 0.658 178 V HN 0.186 nan 8.190 nan 0.000 0.452 179 L N -0.283 120.993 121.223 0.088 0.000 2.093 179 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 179 L C 2.147 179.028 176.870 0.018 0.000 1.085 179 L CA 1.751 56.636 54.840 0.075 0.000 0.755 179 L CB -0.661 41.477 42.059 0.132 0.000 0.904 179 L HN 0.282 nan 8.230 nan 0.000 0.435 180 L N -0.069 121.144 121.223 -0.017 0.000 2.012 180 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 180 L C 2.570 179.432 176.870 -0.014 0.000 1.073 180 L CA 2.310 57.129 54.840 -0.036 0.000 0.748 180 L CB -0.728 41.291 42.059 -0.068 0.000 0.891 180 L HN 0.667 nan 8.230 nan 0.000 0.431 181 Q N -0.952 118.862 119.800 0.023 0.000 2.172 181 Q HA -0.188 4.152 4.340 -0.001 0.000 0.200 181 Q C 2.034 178.119 176.000 0.141 0.000 0.964 181 Q CA 1.999 57.852 55.803 0.082 0.000 0.855 181 Q CB -1.158 27.663 28.738 0.138 0.000 0.918 181 Q HN 0.468 nan 8.270 nan 0.000 0.444 182 L N 0.853 122.144 121.223 0.112 0.000 2.046 182 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 182 L C 1.930 178.882 176.870 0.136 0.000 1.077 182 L CA 2.454 57.373 54.840 0.132 0.000 0.747 182 L CB -0.970 41.143 42.059 0.090 0.000 0.896 182 L HN 0.339 nan 8.230 nan 0.000 0.432 183 T N -1.073 113.530 114.554 0.082 0.000 2.821 183 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 183 T C 1.720 176.477 174.700 0.095 0.000 1.046 183 T CA 1.380 63.522 62.100 0.070 0.000 1.139 183 T CB -0.147 68.733 68.868 0.020 0.000 0.871 183 T HN 0.329 nan 8.240 nan 0.000 0.454 184 E N 1.023 121.255 120.200 0.054 0.000 2.051 184 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 184 E C 2.352 179.090 176.600 0.231 0.000 0.991 184 E CA 1.524 57.918 56.400 -0.010 0.000 0.799 184 E CB -0.851 28.658 29.700 -0.318 0.000 0.748 184 E HN 0.440 nan 8.360 nan 0.000 0.449 185 G N -0.124 108.907 108.800 0.385 0.000 2.402 185 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.216 185 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.216 185 G C 1.490 176.612 174.900 0.370 0.000 1.162 185 G CA 0.652 46.057 45.100 0.509 0.000 0.777 185 G HN 0.256 nan 8.290 nan 0.000 0.539 186 Q N -0.167 119.786 119.800 0.256 0.000 2.172 186 Q HA -0.055 4.285 4.340 -0.001 0.000 0.200 186 Q C 2.803 178.903 176.000 0.168 0.000 0.964 186 Q CA 1.411 57.324 55.803 0.184 0.000 0.855 186 Q CB -0.208 28.619 28.738 0.149 0.000 0.918 186 Q HN 0.408 nan 8.270 nan 0.000 0.444 187 T N 0.228 114.892 114.554 0.184 0.000 2.746 187 T HA -0.189 4.161 4.350 -0.001 0.000 0.267 187 T C 1.095 175.901 174.700 0.177 0.000 1.039 187 T CA 1.131 63.317 62.100 0.143 0.000 1.142 187 T CB -0.364 68.584 68.868 0.134 0.000 0.866 187 T HN 0.476 nan 8.240 nan 0.000 0.444 188 W N 1.538 122.944 121.300 0.177 0.000 2.355 188 W HA -0.015 4.644 4.660 -0.001 0.000 0.309 188 W C 1.793 178.435 176.519 0.205 0.000 1.206 188 W CA 0.848 58.381 57.345 0.313 0.000 1.284 188 W CB -0.429 29.281 29.460 0.417 0.000 1.145 188 W HN 0.137 nan 8.180 nan 0.000 0.502 189 L N 0.672 122.102 121.223 0.345 0.000 2.046 189 L HA -0.244 4.096 4.340 -0.001 0.000 0.208 189 L C 2.616 179.418 176.870 -0.113 0.000 1.077 189 L CA 1.873 56.743 54.840 0.051 0.000 0.747 189 L CB -0.920 41.118 42.059 -0.035 0.000 0.896 189 L HN -0.011 nan 8.230 nan 0.000 0.432 190 K N -0.017 120.336 120.400 -0.077 0.000 2.057 190 K HA -0.257 4.062 4.320 -0.001 0.000 0.206 190 K C 2.187 178.647 176.600 -0.232 0.000 1.050 190 K CA 1.563 57.780 56.287 -0.117 0.000 0.935 190 K CB -0.017 32.441 32.500 -0.071 0.000 0.715 190 K HN 0.259 nan 8.250 nan 0.000 0.439 191 Q N -0.716 118.873 119.800 -0.352 0.000 2.046 191 Q HA -0.139 4.200 4.340 -0.001 0.000 0.200 191 Q C 1.573 177.072 176.000 -0.834 0.000 0.975 191 Q CA 1.785 57.215 55.803 -0.622 0.000 0.836 191 Q CB 0.010 28.248 28.738 -0.833 0.000 0.896 191 Q HN 0.341 nan 8.270 nan 0.000 0.428 192 F N -1.387 118.188 119.950 -0.625 0.000 2.582 192 F HA 0.097 4.623 4.527 -0.001 0.000 0.290 192 F C 1.824 177.326 175.800 -0.495 0.000 1.115 192 F CA 0.136 57.719 58.000 -0.694 0.000 1.445 192 F CB 0.382 38.539 39.000 -1.405 0.000 1.126 192 F HN 0.105 nan 8.300 nan 0.000 0.574 193 M N -0.938 118.506 119.600 -0.261 0.000 2.367 193 M HA 0.191 4.671 4.480 -0.001 0.000 0.256 193 M C 0.322 176.593 176.300 -0.047 0.000 1.091 193 M CA 0.300 55.547 55.300 -0.088 0.000 1.049 193 M CB -0.916 31.665 32.600 -0.033 0.000 1.406 193 M HN 0.098 nan 8.290 nan 0.000 0.498 194 N N 1.829 120.469 118.700 -0.102 0.000 2.740 194 N HA -0.131 4.608 4.740 -0.001 0.000 0.248 194 N C -1.012 174.477 175.510 -0.035 0.000 1.062 194 N CA 0.713 53.720 53.050 -0.072 0.000 0.704 194 N CB -1.000 37.457 38.487 -0.049 0.000 0.968 194 N HN 0.339 nan 8.380 nan 0.000 0.547 195 V N -3.768 116.127 119.914 -0.031 0.000 3.049 195 V HA 0.868 4.987 4.120 -0.001 0.000 0.309 195 V C 0.003 176.082 176.094 -0.024 0.000 1.148 195 V CA -0.491 61.806 62.300 -0.006 0.000 0.990 195 V CB 2.333 34.197 31.823 0.069 0.000 1.039 195 V HN 0.058 nan 8.190 nan 0.000 0.430 196 T N 3.919 118.448 114.554 -0.042 0.000 2.930 196 T HA 0.575 4.925 4.350 -0.001 0.000 0.313 196 T C -2.746 171.870 174.700 -0.141 0.000 1.019 196 T CA -0.780 61.275 62.100 -0.074 0.000 1.004 196 T CB 1.347 70.163 68.868 -0.087 0.000 0.987 196 T HN 0.765 nan 8.240 nan 0.000 0.456 197 P HA 0.166 nan 4.420 nan 0.000 0.266 197 P C 0.858 177.770 177.300 -0.648 0.000 1.195 197 P CA -0.150 62.828 63.100 -0.204 0.000 0.768 197 P CB 0.533 32.227 31.700 -0.010 0.000 0.838 198 T N -1.676 112.555 114.554 -0.538 0.000 3.040 198 T HA 0.537 4.886 4.350 -0.001 0.000 0.266 198 T C 0.358 174.876 174.700 -0.302 0.000 1.005 198 T CA -0.276 61.388 62.100 -0.727 0.000 0.906 198 T CB 0.137 68.788 68.868 -0.363 0.000 1.082 198 T HN 0.412 nan 8.240 nan 0.000 0.531 199 A N 0.857 123.656 122.820 -0.035 0.000 2.355 199 A HA 0.801 5.120 4.320 -0.001 0.000 0.317 199 A C -0.167 177.676 177.584 0.432 0.000 1.094 199 A CA -0.707 51.457 52.037 0.211 0.000 0.764 199 A CB 1.822 20.959 19.000 0.229 0.000 1.230 199 A HN 0.264 nan 8.150 nan 0.000 0.448 200 S N 2.098 118.045 115.700 0.411 0.000 2.549 200 S HA 0.688 5.158 4.470 -0.001 0.000 0.297 200 S C -1.153 173.637 174.600 0.318 0.000 1.115 200 S CA -0.436 57.949 58.200 0.308 0.000 1.059 200 S CB 0.791 64.003 63.200 0.020 0.000 1.046 200 S HN 0.821 nan 8.310 nan 0.000 0.506 201 W N 4.487 125.802 121.300 0.025 0.000 2.587 201 W HA 0.637 5.297 4.660 -0.001 0.000 0.324 201 W C -1.574 174.894 176.519 -0.085 0.000 1.008 201 W CA -0.830 56.484 57.345 -0.052 0.000 1.265 201 W CB 1.189 30.590 29.460 -0.099 0.000 1.328 201 W HN 0.795 nan 8.180 nan 0.000 0.432 202 A N 7.928 130.611 122.820 -0.228 0.000 2.763 202 A HA 0.312 4.631 4.320 -0.001 0.000 0.325 202 A C 0.148 177.490 177.584 -0.403 0.000 1.209 202 A CA -0.490 51.413 52.037 -0.223 0.000 0.764 202 A CB -0.219 18.771 19.000 -0.015 0.000 1.120 202 A HN 0.720 nan 8.150 nan 0.000 0.463 203 I N -2.534 117.623 120.570 -0.688 0.000 3.783 203 I HA 0.323 4.493 4.170 -0.001 0.000 0.310 203 I C 0.687 176.461 176.117 -0.572 0.000 1.274 203 I CA 0.675 61.517 61.300 -0.763 0.000 1.294 203 I CB 0.494 37.759 38.000 -1.225 0.000 1.051 203 I HN 0.328 nan 8.210 nan 0.000 0.435 204 D N 0.456 120.477 120.400 -0.631 0.000 2.498 204 D HA 0.260 4.900 4.640 -0.001 0.000 0.223 204 D C -2.187 173.668 176.300 -0.741 0.000 1.125 204 D CA -0.807 52.819 54.000 -0.623 0.000 0.835 204 D CB 0.134 40.469 40.800 -0.775 0.000 1.086 204 D HN 0.190 nan 8.370 nan 0.000 0.510 205 P HA 0.052 nan 4.420 nan 0.000 0.268 205 P C -0.527 176.313 177.300 -0.767 0.000 1.208 205 P CA 0.039 62.598 63.100 -0.902 0.000 0.777 205 P CB 0.224 31.557 31.700 -0.611 0.000 0.875 206 F N 1.957 121.661 119.950 -0.410 0.000 2.541 206 F HA 0.553 5.079 4.527 -0.001 0.000 0.351 206 F C 1.388 177.123 175.800 -0.108 0.000 1.209 206 F CA -0.626 57.084 58.000 -0.483 0.000 1.277 206 F CB -1.047 37.787 39.000 -0.276 0.000 1.632 206 F HN 0.495 nan 8.300 nan 0.000 0.619 207 G N 1.205 109.774 108.800 -0.384 0.000 2.619 207 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.686 207 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.686 207 G C -1.546 173.015 174.900 -0.566 0.000 1.256 207 G CA -1.166 43.807 45.100 -0.211 0.000 0.826 207 G HN 0.599 nan 8.290 nan 0.000 0.619 208 H N -0.668 118.109 119.070 -0.488 0.000 2.851 208 H HA 0.748 5.303 4.556 -0.001 0.000 0.372 208 H C -0.413 174.792 175.328 -0.204 0.000 1.158 208 H CA 0.050 55.998 56.048 -0.167 0.000 1.159 208 H CB 2.044 31.867 29.762 0.102 0.000 1.757 208 H HN 0.700 nan 8.280 nan 0.000 0.546 209 S N 2.248 118.081 115.700 0.222 0.000 2.501 209 S HA 0.267 4.737 4.470 -0.001 0.000 0.301 209 S C -1.792 172.833 174.600 0.042 0.000 1.096 209 S CA -1.789 56.551 58.200 0.233 0.000 1.063 209 S CB 1.358 64.745 63.200 0.312 0.000 1.042 209 S HN 0.445 nan 8.310 nan 0.000 0.494 210 P HA 0.010 nan 4.420 nan 0.000 0.230 210 P C 1.108 178.147 177.300 -0.436 0.000 1.158 210 P CA 0.781 63.483 63.100 -0.663 0.000 0.769 210 P CB -0.263 31.204 31.700 -0.387 0.000 0.807 211 T N -0.169 114.270 114.554 -0.193 0.000 2.833 211 T HA -0.100 4.249 4.350 -0.001 0.000 0.269 211 T C 1.829 176.479 174.700 -0.083 0.000 1.054 211 T CA 1.210 63.238 62.100 -0.119 0.000 1.135 211 T CB -0.398 68.441 68.868 -0.050 0.000 0.869 211 T HN -0.006 nan 8.240 nan 0.000 0.466 212 M N 0.932 120.444 119.600 -0.146 0.000 2.059 212 M HA -0.002 4.478 4.480 -0.001 0.000 0.259 212 M C -0.612 175.550 176.300 -0.231 0.000 1.072 212 M CA 1.246 56.458 55.300 -0.147 0.000 1.117 212 M CB -2.509 30.031 32.600 -0.099 0.000 1.320 212 M HN 0.134 nan 8.290 nan 0.000 0.408 213 P HA -0.199 nan 4.420 nan 0.000 0.218 213 P C 1.670 178.846 177.300 -0.208 0.000 1.149 213 P CA 1.420 64.325 63.100 -0.325 0.000 0.817 213 P CB -0.432 30.977 31.700 -0.485 0.000 0.785 214 Y N 1.137 121.248 120.300 -0.315 0.000 2.097 214 Y HA -0.208 4.341 4.550 -0.001 0.000 0.282 214 Y C 2.414 178.227 175.900 -0.145 0.000 1.152 214 Y CA 1.691 59.668 58.100 -0.204 0.000 1.136 214 Y CB -1.017 37.339 38.460 -0.174 0.000 0.975 214 Y HN -0.238 nan 8.280 nan 0.000 0.498 215 I N -0.406 120.171 120.570 0.013 0.000 2.252 215 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 215 I C 2.298 178.334 176.117 -0.135 0.000 1.102 215 I CA 1.208 62.477 61.300 -0.052 0.000 1.385 215 I CB -0.410 37.628 38.000 0.063 0.000 1.064 215 I HN 0.267 nan 8.210 nan 0.000 0.414 216 L N 0.068 121.167 121.223 -0.208 0.000 2.046 216 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 216 L C 2.685 179.531 176.870 -0.040 0.000 1.077 216 L CA 1.200 55.852 54.840 -0.314 0.000 0.747 216 L CB -0.717 40.973 42.059 -0.614 0.000 0.896 216 L HN 0.349 nan 8.230 nan 0.000 0.432 217 Q N 1.124 120.869 119.800 -0.091 0.000 2.224 217 Q HA -0.192 4.147 4.340 -0.001 0.000 0.203 217 Q C 1.674 177.631 176.000 -0.073 0.000 0.970 217 Q CA 1.494 57.266 55.803 -0.052 0.000 0.865 217 Q CB 0.121 28.802 28.738 -0.097 0.000 0.922 217 Q HN 0.460 nan 8.270 nan 0.000 0.445 218 K N -0.476 119.837 120.400 -0.145 0.000 2.444 218 K HA 0.117 4.436 4.320 -0.001 0.000 0.193 218 K C 0.666 177.224 176.600 -0.070 0.000 1.024 218 K CA 0.122 56.317 56.287 -0.153 0.000 1.077 218 K CB 0.525 32.857 32.500 -0.280 0.000 0.833 218 K HN -0.069 nan 8.250 nan 0.000 0.517 219 S N -0.246 115.468 115.700 0.024 0.000 2.754 219 S HA 0.198 4.668 4.470 -0.001 0.000 0.247 219 S C 0.781 175.479 174.600 0.164 0.000 1.031 219 S CA 0.119 58.383 58.200 0.106 0.000 1.014 219 S CB 1.277 64.584 63.200 0.177 0.000 0.918 219 S HN 0.523 nan 8.310 nan 0.000 0.519 220 G N 1.205 110.054 108.800 0.081 0.000 2.176 220 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.253 220 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.253 220 G C -0.011 174.863 174.900 -0.043 0.000 0.979 220 G CA -0.366 44.727 45.100 -0.013 0.000 0.641 220 G HN 0.438 nan 8.290 nan 0.000 0.530 221 F N 0.283 120.190 119.950 -0.070 0.000 2.444 221 F HA 0.597 5.124 4.527 -0.001 0.000 0.331 221 F C 1.563 177.304 175.800 -0.099 0.000 1.167 221 F CA -0.031 57.923 58.000 -0.077 0.000 1.262 221 F CB 0.920 39.877 39.000 -0.070 0.000 1.196 221 F HN -0.197 nan 8.300 nan 0.000 0.583 222 K N 0.740 121.157 120.400 0.028 0.000 2.464 222 K HA 0.254 4.574 4.320 -0.001 0.000 0.206 222 K C -0.599 175.940 176.600 -0.101 0.000 1.186 222 K CA 0.072 56.317 56.287 -0.069 0.000 0.990 222 K CB 0.183 32.594 32.500 -0.148 0.000 1.003 222 K HN 0.610 nan 8.250 nan 0.000 0.562 223 N N 0.191 118.814 118.700 -0.127 0.000 2.591 223 N HA 0.475 5.215 4.740 -0.001 0.000 0.263 223 N C -1.166 174.189 175.510 -0.259 0.000 1.308 223 N CA -0.670 52.142 53.050 -0.398 0.000 0.837 223 N CB 2.238 39.916 38.487 -1.349 0.000 1.548 223 N HN -0.101 nan 8.380 nan 0.000 0.493 224 M N -0.290 119.162 119.600 -0.248 0.000 2.569 224 M HA 0.629 5.109 4.480 -0.001 0.000 0.279 224 M C -2.091 174.269 176.300 0.099 0.000 1.253 224 M CA -0.944 54.344 55.300 -0.020 0.000 0.867 224 M CB 2.464 35.046 32.600 -0.031 0.000 1.727 224 M HN 0.501 nan 8.290 nan 0.000 0.467 225 L N 3.497 124.799 121.223 0.132 0.000 2.408 225 L HA 0.878 5.217 4.340 -0.001 0.000 0.268 225 L C -1.502 175.252 176.870 -0.193 0.000 0.986 225 L CA -0.741 54.137 54.840 0.064 0.000 0.820 225 L CB 2.035 44.196 42.059 0.171 0.000 1.303 225 L HN 0.942 nan 8.230 nan 0.000 0.411 226 I N 0.920 121.284 120.570 -0.343 0.000 3.042 226 I HA 0.618 4.787 4.170 -0.001 0.000 0.310 226 I C -0.716 175.101 176.117 -0.500 0.000 1.117 226 I CA -0.569 60.339 61.300 -0.654 0.000 1.003 226 I CB 2.240 39.557 38.000 -1.139 0.000 1.228 226 I HN 0.730 nan 8.210 nan 0.000 0.443 227 Q N 2.162 121.728 119.800 -0.390 0.000 2.563 227 Q HA 0.335 4.675 4.340 -0.001 0.000 0.236 227 Q C 0.009 175.900 176.000 -0.181 0.000 0.792 227 Q CA 0.485 56.138 55.803 -0.251 0.000 0.960 227 Q CB 0.606 29.192 28.738 -0.253 0.000 1.304 227 Q HN 0.660 nan 8.270 nan 0.000 0.566 228 R N 1.986 122.386 120.500 -0.167 0.000 2.419 228 R HA 0.354 4.694 4.340 -0.001 0.000 0.305 228 R C -0.665 175.395 176.300 -0.401 0.000 1.242 228 R CA 0.566 56.343 56.100 -0.539 0.000 1.105 228 R CB 0.259 29.876 30.300 -1.138 0.000 1.116 228 R HN 0.393 nan 8.270 nan 0.000 0.523 229 T N -2.273 112.268 114.554 -0.021 0.000 2.916 229 T HA 0.138 4.487 4.350 -0.001 0.000 0.292 229 T C -0.055 174.916 174.700 0.452 0.000 1.055 229 T CA -0.906 61.310 62.100 0.194 0.000 1.009 229 T CB 1.743 70.556 68.868 -0.092 0.000 1.118 229 T HN 0.443 nan 8.240 nan 0.000 0.497 230 H N 1.877 121.169 119.070 0.370 0.000 3.064 230 H HA -0.032 4.524 4.556 -0.001 0.000 0.329 230 H C 1.071 176.459 175.328 0.099 0.000 1.020 230 H CA 0.503 56.660 56.048 0.181 0.000 1.402 230 H CB 0.352 30.241 29.762 0.212 0.000 1.379 230 H HN 0.925 nan 8.280 nan 0.000 0.594 231 Y N 2.316 122.719 120.300 0.172 0.000 2.256 231 Y HA -0.176 4.374 4.550 -0.001 0.000 0.288 231 Y C 2.178 178.251 175.900 0.288 0.000 1.155 231 Y CA 0.984 59.218 58.100 0.224 0.000 1.203 231 Y CB -0.631 37.899 38.460 0.116 0.000 0.980 231 Y HN 0.295 nan 8.280 nan 0.000 0.530 232 S N 0.334 116.066 115.700 0.052 0.000 2.406 232 S HA -0.117 4.353 4.470 -0.001 0.000 0.228 232 S C 2.091 176.610 174.600 -0.136 0.000 1.020 232 S CA 1.142 59.268 58.200 -0.123 0.000 0.965 232 S CB -0.551 62.340 63.200 -0.515 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 2.011 121.900 119.914 -0.042 0.000 2.307 233 V HA -0.183 3.937 4.120 -0.001 0.000 0.245 233 V C 2.246 178.375 176.094 0.058 0.000 1.045 233 V CA 1.627 63.934 62.300 0.013 0.000 1.024 233 V CB -0.523 31.412 31.823 0.188 0.000 0.651 233 V HN 0.410 nan 8.190 nan 0.000 0.449 234 K N 0.096 120.574 120.400 0.130 0.000 2.074 234 K HA -0.267 4.053 4.320 -0.001 0.000 0.209 234 K C 2.267 179.002 176.600 0.226 0.000 1.048 234 K CA 1.926 58.309 56.287 0.159 0.000 0.926 234 K CB -0.250 32.404 32.500 0.257 0.000 0.713 234 K HN 0.362 nan 8.250 nan 0.000 0.444 235 K N 1.144 121.678 120.400 0.223 0.000 2.026 235 K HA -0.231 4.089 4.320 -0.001 0.000 0.208 235 K C 2.138 178.835 176.600 0.162 0.000 1.048 235 K CA 1.737 58.163 56.287 0.233 0.000 0.929 235 K CB 0.045 32.612 32.500 0.111 0.000 0.713 235 K HN -0.008 nan 8.250 nan 0.000 0.439 236 E N 0.857 121.071 120.200 0.024 0.000 2.051 236 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 236 E C 1.926 178.521 176.600 -0.009 0.000 0.991 236 E CA 1.403 57.776 56.400 -0.045 0.000 0.799 236 E CB -0.178 29.446 29.700 -0.126 0.000 0.748 236 E HN 0.345 nan 8.360 nan 0.000 0.449 237 L N -0.147 121.080 121.223 0.006 0.000 2.093 237 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 237 L C 2.526 179.418 176.870 0.036 0.000 1.085 237 L CA 0.917 55.754 54.840 -0.005 0.000 0.755 237 L CB -0.599 41.441 42.059 -0.032 0.000 0.904 237 L HN 0.222 nan 8.230 nan 0.000 0.435 238 A N -0.272 122.624 122.820 0.126 0.000 1.933 238 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 238 A C 2.213 179.985 177.584 0.312 0.000 1.175 238 A CA 1.493 53.661 52.037 0.218 0.000 0.628 238 A CB -0.450 18.835 19.000 0.475 0.000 0.814 238 A HN 0.462 nan 8.150 nan 0.000 0.444 239 Q N -0.959 118.975 119.800 0.224 0.000 2.226 239 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 239 Q C 1.247 177.239 176.000 -0.014 0.000 0.975 239 Q CA 1.228 57.010 55.803 -0.035 0.000 0.866 239 Q CB -0.007 28.576 28.738 -0.257 0.000 0.915 239 Q HN 0.617 nan 8.270 nan 0.000 0.440 240 Q N -0.228 119.576 119.800 0.006 0.000 2.247 240 Q HA 0.150 4.490 4.340 -0.001 0.000 0.204 240 Q C -0.444 175.573 176.000 0.029 0.000 0.872 240 Q CA -0.048 55.756 55.803 0.001 0.000 0.951 240 Q CB 0.694 29.422 28.738 -0.017 0.000 1.099 240 Q HN 0.270 nan 8.270 nan 0.000 0.501 241 R N 0.874 121.397 120.500 0.039 0.000 3.333 241 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 241 R C -0.145 176.188 176.300 0.056 0.000 1.010 241 R CA 0.485 56.599 56.100 0.024 0.000 0.680 241 R CB -1.891 28.450 30.300 0.067 0.000 1.102 241 R HN 0.391 nan 8.270 nan 0.000 0.440 242 Q N 0.027 119.847 119.800 0.034 0.000 2.186 242 Q HA 0.197 4.537 4.340 -0.001 0.000 0.241 242 Q C 1.191 177.268 176.000 0.127 0.000 0.849 242 Q CA -0.232 55.625 55.803 0.090 0.000 1.053 242 Q CB 0.550 29.305 28.738 0.027 0.000 1.146 242 Q HN 0.437 nan 8.270 nan 0.000 0.475 243 L N 0.062 121.295 121.223 0.016 0.000 2.418 243 L HA 0.054 4.393 4.340 -0.001 0.000 0.218 243 L C 0.348 177.207 176.870 -0.019 0.000 1.125 243 L CA 0.914 55.734 54.840 -0.034 0.000 0.835 243 L CB 0.333 42.187 42.059 -0.342 0.000 0.953 243 L HN 0.192 nan 8.230 nan 0.000 0.454 244 E N 0.138 120.367 120.200 0.048 0.000 2.171 244 E HA 0.525 4.874 4.350 -0.001 0.000 0.271 244 E C -1.223 175.289 176.600 -0.147 0.000 0.916 244 E CA -0.540 55.684 56.400 -0.293 0.000 0.774 244 E CB 1.544 31.195 29.700 -0.082 0.000 1.128 244 E HN -0.000 nan 8.360 nan 0.000 0.403 245 F N -0.290 119.395 119.950 -0.441 0.000 2.713 245 F HA 0.461 4.988 4.527 -0.001 0.000 0.311 245 F C -1.576 174.115 175.800 -0.182 0.000 1.141 245 F CA -1.369 56.524 58.000 -0.179 0.000 0.939 245 F CB 0.774 39.701 39.000 -0.123 0.000 1.325 245 F HN 0.160 nan 8.300 nan 0.000 0.453 246 L N 2.615 123.993 121.223 0.259 0.000 2.282 246 L HA 0.179 4.519 4.340 -0.001 0.000 0.287 246 L C -1.112 175.984 176.870 0.378 0.000 1.075 246 L CA -0.240 54.750 54.840 0.249 0.000 0.839 246 L CB 0.505 42.714 42.059 0.251 0.000 1.219 246 L HN 0.590 nan 8.230 nan 0.000 0.434 247 W N 6.815 128.222 121.300 0.177 0.000 2.387 247 W HA 0.337 4.997 4.660 -0.001 0.000 0.310 247 W C 0.229 176.776 176.519 0.045 0.000 1.181 247 W CA -1.284 56.184 57.345 0.205 0.000 1.333 247 W CB 0.443 30.067 29.460 0.274 0.000 1.286 247 W HN 0.506 nan 8.180 nan 0.000 0.455 248 R N 3.811 124.493 120.500 0.303 0.000 2.828 248 R HA 0.543 4.883 4.340 -0.001 0.000 0.264 248 R C -0.086 176.125 176.300 -0.149 0.000 1.022 248 R CA -0.919 55.185 56.100 0.006 0.000 1.021 248 R CB 1.084 31.368 30.300 -0.026 0.000 1.163 248 R HN 0.243 nan 8.270 nan 0.000 0.494 249 Q N 1.338 120.894 119.800 -0.407 0.000 2.421 249 Q HA 0.057 4.397 4.340 -0.001 0.000 0.255 249 Q C 1.457 177.053 176.000 -0.673 0.000 1.013 249 Q CA 0.106 55.461 55.803 -0.746 0.000 0.895 249 Q CB 0.784 28.594 28.738 -1.548 0.000 1.271 249 Q HN 0.848 nan 8.270 nan 0.000 0.460 250 I N -2.130 118.144 120.570 -0.493 0.000 2.567 250 I HA -0.146 4.024 4.170 -0.001 0.000 0.257 250 I C 1.299 177.342 176.117 -0.123 0.000 1.184 250 I CA 1.242 62.419 61.300 -0.205 0.000 1.451 250 I CB -0.349 37.633 38.000 -0.031 0.000 1.089 250 I HN 0.675 nan 8.210 nan 0.000 0.441 251 W N 1.273 122.629 121.300 0.093 0.000 3.220 251 W HA 0.363 5.023 4.660 -0.000 0.000 0.328 251 W C 0.252 176.846 176.519 0.125 0.000 1.205 251 W CA -0.666 56.794 57.345 0.192 0.000 1.773 251 W CB -0.669 28.994 29.460 0.339 0.000 1.086 251 W HN -0.070 nan 8.180 nan 0.000 0.622 252 D N 1.930 122.047 120.400 -0.472 0.000 2.402 252 D HA -0.025 4.614 4.640 -0.001 0.000 0.235 252 D C 1.058 177.331 176.300 -0.044 0.000 1.226 252 D CA 0.277 54.155 54.000 -0.203 0.000 0.918 252 D CB 0.021 40.606 40.800 -0.358 0.000 1.043 252 D HN 0.129 nan 8.370 nan 0.000 0.506 253 N N 3.343 122.079 118.700 0.060 0.000 2.216 253 N HA -0.137 4.602 4.740 -0.001 0.000 0.183 253 N C 1.341 176.871 175.510 0.033 0.000 1.017 253 N CA 0.644 53.722 53.050 0.046 0.000 0.861 253 N CB 0.266 38.801 38.487 0.081 0.000 0.986 253 N HN 0.387 nan 8.380 nan 0.000 0.428 254 K N -0.361 120.064 120.400 0.042 0.000 2.186 254 K HA -0.007 4.313 4.320 -0.001 0.000 0.202 254 K C 0.821 177.436 176.600 0.025 0.000 1.052 254 K CA 1.022 57.330 56.287 0.036 0.000 0.965 254 K CB 0.191 32.717 32.500 0.044 0.000 0.746 254 K HN 0.228 nan 8.250 nan 0.000 0.457 255 G N 1.059 109.866 108.800 0.012 0.000 2.163 255 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.213 255 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.213 255 G C 0.168 175.074 174.900 0.010 0.000 0.991 255 G CA 0.343 45.448 45.100 0.009 0.000 0.653 255 G HN 0.371 nan 8.290 nan 0.000 0.518 256 D N 0.672 121.079 120.400 0.012 0.000 2.310 256 D HA -0.021 4.619 4.640 -0.001 0.000 0.212 256 D C 2.554 178.848 176.300 -0.010 0.000 0.965 256 D CA 1.734 55.739 54.000 0.009 0.000 0.879 256 D CB -0.211 40.601 40.800 0.020 0.000 0.921 256 D HN 0.679 nan 8.370 nan 0.000 0.510 257 T N -2.174 112.365 114.554 -0.024 0.000 3.129 257 T HA 0.326 4.675 4.350 -0.001 0.000 0.251 257 T C 0.979 175.648 174.700 -0.053 0.000 1.117 257 T CA -0.109 61.959 62.100 -0.053 0.000 1.034 257 T CB 0.032 68.856 68.868 -0.073 0.000 0.968 257 T HN 0.063 nan 8.240 nan 0.000 0.526 258 A N 1.444 124.256 122.820 -0.013 0.000 2.540 258 A HA 0.537 4.856 4.320 -0.001 0.000 0.239 258 A C -0.259 177.348 177.584 0.038 0.000 1.061 258 A CA -0.280 51.779 52.037 0.035 0.000 0.758 258 A CB -0.156 18.891 19.000 0.077 0.000 0.991 258 A HN 0.555 nan 8.150 nan 0.000 0.502 259 L N 2.762 124.027 121.223 0.070 0.000 2.409 259 L HA 0.572 4.911 4.340 -0.001 0.000 0.272 259 L C -0.645 176.285 176.870 0.099 0.000 0.980 259 L CA -0.561 54.315 54.840 0.059 0.000 0.826 259 L CB 1.483 43.541 42.059 -0.002 0.000 1.268 259 L HN 0.664 nan 8.230 nan 0.000 0.407 260 F N 3.807 123.720 119.950 -0.063 0.000 2.578 260 F HA 0.417 4.944 4.527 -0.001 0.000 0.376 260 F C 0.014 175.698 175.800 -0.194 0.000 1.085 260 F CA 0.757 58.687 58.000 -0.117 0.000 1.260 260 F CB 0.482 39.431 39.000 -0.084 0.000 1.095 260 F HN 0.564 nan 8.300 nan 0.000 0.573 261 T N 5.276 119.256 114.554 -0.958 0.000 2.886 261 T HA 0.210 4.559 4.350 -0.001 0.000 0.292 261 T C -1.660 172.403 174.700 -1.061 0.000 1.012 261 T CA -0.490 61.123 62.100 -0.811 0.000 0.982 261 T CB 0.967 69.364 68.868 -0.785 0.000 1.018 261 T HN 0.618 nan 8.240 nan 0.000 0.451 262 H N 2.682 121.441 119.070 -0.518 0.000 2.551 262 H HA 0.619 5.174 4.556 -0.001 0.000 0.321 262 H C -0.413 174.726 175.328 -0.315 0.000 1.028 262 H CA -0.740 55.119 56.048 -0.315 0.000 1.215 262 H CB 0.750 30.552 29.762 0.067 0.000 1.414 262 H HN 0.481 nan 8.280 nan 0.000 0.480 263 M N 6.917 126.191 119.600 -0.544 0.000 2.113 263 M HA 0.283 4.762 4.480 -0.001 0.000 0.352 263 M C -0.809 175.253 176.300 -0.397 0.000 1.170 263 M CA -0.582 54.475 55.300 -0.406 0.000 1.053 263 M CB 0.642 33.055 32.600 -0.312 0.000 1.601 263 M HN 0.669 nan 8.290 nan 0.000 0.459 264 M N 6.747 126.209 119.600 -0.229 0.000 2.250 264 M HA 0.141 4.621 4.480 -0.001 0.000 0.325 264 M C -1.575 174.594 176.300 -0.219 0.000 1.084 264 M CA -0.951 54.254 55.300 -0.158 0.000 1.161 264 M CB 0.281 32.798 32.600 -0.138 0.000 1.481 264 M HN 0.493 nan 8.290 nan 0.000 0.449 265 P HA 0.123 nan 4.420 nan 0.000 0.245 265 P C -0.287 176.829 177.300 -0.307 0.000 1.199 265 P CA 0.850 63.645 63.100 -0.508 0.000 0.807 265 P CB 0.353 31.431 31.700 -1.036 0.000 1.002 266 F N -2.175 117.775 119.950 0.001 0.000 2.611 266 F HA 0.301 4.828 4.527 -0.001 0.000 0.374 266 F C 2.131 178.014 175.800 0.138 0.000 1.110 266 F CA -1.301 56.737 58.000 0.064 0.000 1.090 266 F CB 0.252 39.227 39.000 -0.042 0.000 1.388 266 F HN -0.315 nan 8.300 nan 0.000 0.501 267 Y N 0.409 120.854 120.300 0.242 0.000 2.373 267 Y HA 0.070 4.620 4.550 -0.001 0.000 0.293 267 Y C 0.770 176.589 175.900 -0.135 0.000 1.129 267 Y CA 1.084 59.191 58.100 0.012 0.000 1.226 267 Y CB 0.053 38.429 38.460 -0.141 0.000 1.000 267 Y HN 0.332 nan 8.280 nan 0.000 0.549 268 S N -1.745 113.800 115.700 -0.260 0.000 2.638 268 S HA 0.251 4.720 4.470 -0.001 0.000 0.274 268 S C -0.392 174.123 174.600 -0.141 0.000 1.157 268 S CA -0.391 57.558 58.200 -0.419 0.000 0.826 268 S CB 0.276 63.173 63.200 -0.505 0.000 1.139 268 S HN 0.286 nan 8.310 nan 0.000 0.474 269 Y N 0.843 121.102 120.300 -0.069 0.000 2.466 269 Y HA 0.308 4.858 4.550 -0.001 0.000 0.272 269 Y C 0.462 176.450 175.900 0.146 0.000 1.169 269 Y CA -0.556 57.537 58.100 -0.012 0.000 1.285 269 Y CB -1.014 37.352 38.460 -0.157 0.000 1.078 269 Y HN 0.548 nan 8.280 nan 0.000 0.523 270 D N 0.758 121.160 120.400 0.004 0.000 2.363 270 D HA -0.048 4.592 4.640 -0.001 0.000 0.240 270 D C 1.230 177.658 176.300 0.214 0.000 1.236 270 D CA -0.342 53.754 54.000 0.160 0.000 0.927 270 D CB 0.840 41.698 40.800 0.097 0.000 1.150 270 D HN 0.268 nan 8.370 nan 0.000 0.458 271 I N -0.052 120.621 120.570 0.173 0.000 2.226 271 I HA -0.163 4.007 4.170 -0.001 0.000 0.245 271 I C -0.740 175.414 176.117 0.062 0.000 1.100 271 I CA 0.887 62.274 61.300 0.144 0.000 1.374 271 I CB -1.153 36.919 38.000 0.121 0.000 1.057 271 I HN 0.352 nan 8.210 nan 0.000 0.413 272 P HA -0.148 nan 4.420 nan 0.000 0.221 272 P C 0.803 177.798 177.300 -0.509 0.000 1.145 272 P CA 1.482 64.397 63.100 -0.308 0.000 0.795 272 P CB -0.051 31.442 31.700 -0.344 0.000 0.775 273 H N -2.494 116.567 119.070 -0.016 0.000 2.512 273 H HA 0.276 4.832 4.556 -0.001 0.000 0.276 273 H C 0.736 176.159 175.328 0.159 0.000 1.126 273 H CA 0.669 56.720 56.048 0.005 0.000 1.060 273 H CB 0.154 29.984 29.762 0.114 0.000 1.646 273 H HN 0.207 nan 8.280 nan 0.000 0.571 274 T N -3.419 111.250 114.554 0.192 0.000 2.986 274 T HA -0.033 4.317 4.350 -0.001 0.000 0.264 274 T C 1.861 176.682 174.700 0.203 0.000 0.964 274 T CA 0.261 62.501 62.100 0.234 0.000 0.895 274 T CB -0.819 68.178 68.868 0.215 0.000 1.163 274 T HN 0.424 nan 8.240 nan 0.000 0.517 275 c N 1.541 120.234 118.600 0.155 0.000 2.563 275 c HA 0.722 5.291 4.570 -0.001 0.000 0.268 275 c C 1.323 175.538 174.090 0.208 0.000 1.365 275 c CA 0.415 56.878 56.329 0.224 0.000 1.754 275 c CB -1.114 41.489 42.510 0.155 0.000 1.932 275 c HN 0.880 nan 8.230 nan 0.000 0.536 276 G N -0.168 108.680 108.800 0.080 0.000 2.317 276 G HA2 0.372 4.332 3.960 -0.001 0.000 0.293 276 G HA3 0.372 4.332 3.960 -0.001 0.000 0.293 276 G C -2.672 171.875 174.900 -0.589 0.000 1.287 276 G CA 0.250 45.339 45.100 -0.018 0.000 0.850 276 G HN -0.104 nan 8.290 nan 0.000 0.515 277 P HA 0.083 nan 4.420 nan 0.000 0.229 277 P C -0.151 176.745 177.300 -0.673 0.000 1.160 277 P CA 1.084 63.535 63.100 -1.081 0.000 0.777 277 P CB 0.385 31.757 31.700 -0.547 0.000 0.814 278 D N 0.833 120.947 120.400 -0.477 0.000 2.460 278 D HA 0.147 4.787 4.640 -0.001 0.000 0.232 278 D C -1.497 174.469 176.300 -0.558 0.000 1.079 278 D CA -2.638 51.122 54.000 -0.399 0.000 0.864 278 D CB 1.391 42.042 40.800 -0.248 0.000 1.048 278 D HN -0.016 nan 8.370 nan 0.000 0.523 279 P HA -0.151 nan 4.420 nan 0.000 0.220 279 P C 1.238 177.735 177.300 -1.338 0.000 1.148 279 P CA 0.743 63.090 63.100 -1.255 0.000 0.803 279 P CB 0.500 31.137 31.700 -1.772 0.000 0.782 280 K N 0.271 120.033 120.400 -1.064 0.000 2.147 280 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 280 K C 1.808 178.236 176.600 -0.286 0.000 1.049 280 K CA 1.115 57.088 56.287 -0.524 0.000 0.936 280 K CB -0.241 32.137 32.500 -0.203 0.000 0.722 280 K HN -0.064 nan 8.250 nan 0.000 0.446 281 V N 0.474 120.225 119.914 -0.272 0.000 2.302 281 V HA -0.244 3.876 4.120 -0.001 0.000 0.243 281 V C 2.434 178.502 176.094 -0.043 0.000 1.036 281 V CA 1.443 63.673 62.300 -0.115 0.000 1.020 281 V CB -0.369 31.404 31.823 -0.084 0.000 0.657 281 V HN 0.477 nan 8.190 nan 0.000 0.453 282 c N -0.684 117.818 118.600 -0.164 0.000 2.422 282 c HA -0.203 4.367 4.570 -0.001 0.000 0.279 282 c C 2.992 177.047 174.090 -0.058 0.000 1.305 282 c CA 0.798 57.092 56.329 -0.058 0.000 1.757 282 c CB -1.503 40.890 42.510 -0.194 0.000 1.962 282 c HN 0.767 nan 8.230 nan 0.000 0.499 283 c N 0.883 119.359 118.600 -0.207 0.000 2.410 283 c HA -0.157 4.413 4.570 -0.001 0.000 0.281 283 c C 2.605 176.586 174.090 -0.182 0.000 1.318 283 c CA 1.264 57.523 56.329 -0.116 0.000 1.776 283 c CB -1.478 41.039 42.510 0.011 0.000 1.942 283 c HN 0.643 nan 8.230 nan 0.000 0.508 284 Q N -1.369 118.268 119.800 -0.272 0.000 2.488 284 Q HA -0.027 4.312 4.340 -0.001 0.000 0.211 284 Q C 0.694 176.043 176.000 -1.085 0.000 0.967 284 Q CA 1.012 56.467 55.803 -0.580 0.000 0.926 284 Q CB -0.040 28.332 28.738 -0.610 0.000 0.992 284 Q HN 0.748 nan 8.270 nan 0.000 0.506 285 F N -0.231 119.432 119.950 -0.478 0.000 2.668 285 F HA 0.166 4.693 4.527 -0.000 0.000 0.301 285 F C 0.228 175.745 175.800 -0.471 0.000 1.106 285 F CA -0.575 57.047 58.000 -0.629 0.000 1.289 285 F CB 0.770 39.652 39.000 -0.196 0.000 1.006 285 F HN -0.142 nan 8.300 nan 0.000 0.535 286 D N 0.078 120.250 120.400 -0.381 0.000 2.467 286 D HA 0.136 4.776 4.640 -0.001 0.000 0.220 286 D C 0.489 176.606 176.300 -0.306 0.000 1.103 286 D CA -0.349 53.551 54.000 -0.167 0.000 0.886 286 D CB 0.159 40.913 40.800 -0.077 0.000 1.025 286 D HN 0.103 nan 8.370 nan 0.000 0.514 287 F N 1.836 121.791 119.950 0.009 0.000 2.771 287 F HA 0.087 4.613 4.527 -0.001 0.000 0.299 287 F C 2.338 178.087 175.800 -0.085 0.000 1.177 287 F CA 0.287 58.267 58.000 -0.033 0.000 1.450 287 F CB 0.139 39.142 39.000 0.004 0.000 1.114 287 F HN 0.260 nan 8.300 nan 0.000 0.587 288 K N 0.776 121.110 120.400 -0.110 0.000 2.487 288 K HA 0.055 4.375 4.320 -0.001 0.000 0.192 288 K C 0.980 177.532 176.600 -0.081 0.000 1.027 288 K CA 0.199 56.273 56.287 -0.355 0.000 1.054 288 K CB 0.129 32.270 32.500 -0.599 0.000 0.824 288 K HN 0.182 nan 8.250 nan 0.000 0.510 289 R N 0.294 120.777 120.500 -0.027 0.000 2.721 289 R HA 0.190 4.530 4.340 -0.001 0.000 0.296 289 R C 0.763 177.093 176.300 0.050 0.000 1.174 289 R CA -0.147 55.963 56.100 0.018 0.000 1.129 289 R CB 0.174 30.462 30.300 -0.020 0.000 1.316 289 R HN 0.193 nan 8.270 nan 0.000 0.571 290 M N -1.171 118.503 119.600 0.122 0.000 2.441 290 M HA 0.177 4.657 4.480 -0.001 0.000 0.244 290 M C 1.152 177.495 176.300 0.070 0.000 1.122 290 M CA 0.621 55.972 55.300 0.086 0.000 1.041 290 M CB 1.013 33.674 32.600 0.101 0.000 1.438 290 M HN 0.520 nan 8.290 nan 0.000 0.484 291 G N -0.035 108.821 108.800 0.093 0.000 3.638 291 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.196 291 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.196 291 G C 0.983 175.888 174.900 0.007 0.000 1.315 291 G CA 0.241 45.366 45.100 0.041 0.000 0.944 291 G HN 0.385 nan 8.290 nan 0.000 0.434 292 S N 0.365 116.029 115.700 -0.060 0.000 2.442 292 S HA 0.155 4.625 4.470 -0.001 0.000 0.236 292 S C 1.823 176.238 174.600 -0.309 0.000 1.007 292 S CA 1.666 59.735 58.200 -0.218 0.000 0.965 292 S CB -0.461 62.532 63.200 -0.344 0.000 0.773 292 S HN 0.408 nan 8.310 nan 0.000 0.504 293 F N 1.763 121.708 119.950 -0.007 0.000 2.765 293 F HA 0.406 4.933 4.527 -0.001 0.000 0.302 293 F C 1.892 177.687 175.800 -0.008 0.000 1.111 293 F CA 0.090 58.084 58.000 -0.010 0.000 1.359 293 F CB -0.089 38.903 39.000 -0.014 0.000 1.097 293 F HN 0.375 nan 8.300 nan 0.000 0.577 294 G N 1.346 110.220 108.800 0.122 0.000 2.160 294 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.251 294 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.251 294 G C -0.190 174.759 174.900 0.082 0.000 1.008 294 G CA 0.026 45.172 45.100 0.077 0.000 0.724 294 G HN 0.308 nan 8.290 nan 0.000 0.514 295 L N -0.000 121.285 121.223 0.103 0.000 2.354 295 L HA 0.870 5.209 4.340 -0.001 0.000 0.264 295 L C 0.462 177.363 176.870 0.053 0.000 1.008 295 L CA -0.407 54.475 54.840 0.071 0.000 0.819 295 L CB 2.399 44.497 42.059 0.065 0.000 1.339 295 L HN 0.459 nan 8.230 nan 0.000 0.420 296 S N -0.754 114.964 115.700 0.031 0.000 2.671 296 S HA 0.541 5.011 4.470 -0.001 0.000 0.277 296 S C -1.266 173.347 174.600 0.022 0.000 1.165 296 S CA -0.811 57.399 58.200 0.018 0.000 0.822 296 S CB 1.619 64.820 63.200 0.001 0.000 1.150 296 S HN 0.520 nan 8.310 nan 0.000 0.479 297 c N 2.969 121.587 118.600 0.030 0.000 2.285 297 c HA 0.564 5.133 4.570 -0.001 0.000 0.335 297 c C -1.091 172.988 174.090 -0.017 0.000 1.267 297 c CA -1.169 55.218 56.329 0.097 0.000 1.762 297 c CB 0.841 43.442 42.510 0.151 0.000 2.365 297 c HN 0.759 nan 8.230 nan 0.000 0.527 298 P HA -0.066 nan 4.420 nan 0.000 0.226 298 P C 1.120 178.116 177.300 -0.506 0.000 1.153 298 P CA 1.183 64.001 63.100 -0.470 0.000 0.777 298 P CB 0.082 31.344 31.700 -0.730 0.000 0.794 299 W N 0.586 121.862 121.300 -0.039 0.000 3.180 299 W HA 0.166 4.826 4.660 -0.000 0.000 0.254 299 W C 0.705 177.196 176.519 -0.046 0.000 1.318 299 W CA 0.177 57.495 57.345 -0.046 0.000 1.608 299 W CB -0.436 28.987 29.460 -0.061 0.000 1.124 299 W HN 0.137 nan 8.180 nan 0.000 0.694 300 K N -1.238 119.209 120.400 0.078 0.000 3.512 300 K HA -0.175 4.145 4.320 -0.001 0.000 0.309 300 K C -0.356 176.265 176.600 0.034 0.000 1.350 300 K CA 0.537 56.843 56.287 0.032 0.000 0.960 300 K CB -1.906 30.601 32.500 0.012 0.000 1.290 300 K HN -0.124 nan 8.250 nan 0.000 0.454 301 V N 2.042 121.989 119.914 0.054 0.000 2.378 301 V HA 0.337 4.456 4.120 -0.001 0.000 0.288 301 V C -1.819 174.260 176.094 -0.025 0.000 1.016 301 V CA -1.494 60.809 62.300 0.004 0.000 0.840 301 V CB 1.426 33.244 31.823 -0.008 0.000 0.994 301 V HN -0.028 nan 8.190 nan 0.000 0.431 302 P HA 0.446 nan 4.420 nan 0.000 0.278 302 P C -2.862 174.347 177.300 -0.152 0.000 1.258 302 P CA -2.116 60.939 63.100 -0.074 0.000 0.811 302 P CB 0.786 32.458 31.700 -0.046 0.000 1.063 303 P HA 0.290 nan 4.420 nan 0.000 0.272 303 P C -0.355 176.840 177.300 -0.175 0.000 1.230 303 P CA 0.022 62.911 63.100 -0.353 0.000 0.788 303 P CB 0.695 32.110 31.700 -0.475 0.000 0.949 304 R N 0.115 120.524 120.500 -0.152 0.000 2.621 304 R HA 0.396 4.736 4.340 -0.001 0.000 0.292 304 R C -0.331 176.030 176.300 0.101 0.000 0.969 304 R CA -0.654 55.431 56.100 -0.024 0.000 0.887 304 R CB 1.384 31.647 30.300 -0.062 0.000 1.180 304 R HN 0.363 nan 8.270 nan 0.000 0.450 305 T N 3.970 118.580 114.554 0.093 0.000 2.905 305 T HA 0.011 4.360 4.350 -0.001 0.000 0.299 305 T C 0.785 175.482 174.700 -0.005 0.000 1.024 305 T CA 0.185 62.317 62.100 0.054 0.000 1.151 305 T CB 0.116 68.992 68.868 0.014 0.000 0.987 305 T HN 0.192 nan 8.240 nan 0.000 0.535 306 I N 3.823 124.341 120.570 -0.086 0.000 2.529 306 I HA 0.274 4.444 4.170 -0.001 0.000 0.284 306 I C 0.988 177.058 176.117 -0.079 0.000 1.082 306 I CA 0.062 61.309 61.300 -0.088 0.000 1.406 306 I CB 0.403 38.309 38.000 -0.158 0.000 1.405 306 I HN 0.801 nan 8.210 nan 0.000 0.548 307 S N 3.616 119.280 115.700 -0.059 0.000 2.697 307 S HA 0.445 4.914 4.470 -0.001 0.000 0.289 307 S C 0.222 174.791 174.600 -0.051 0.000 1.149 307 S CA -0.748 57.424 58.200 -0.047 0.000 0.850 307 S CB 2.046 65.225 63.200 -0.034 0.000 1.151 307 S HN 0.486 nan 8.310 nan 0.000 0.491 308 D N 0.596 120.975 120.400 -0.035 0.000 2.264 308 D HA -0.007 4.632 4.640 -0.001 0.000 0.208 308 D C 1.449 177.723 176.300 -0.044 0.000 0.966 308 D CA 1.243 55.221 54.000 -0.035 0.000 0.864 308 D CB -0.211 40.584 40.800 -0.009 0.000 0.933 308 D HN 0.515 nan 8.370 nan 0.000 0.499 309 Q N 0.064 119.842 119.800 -0.036 0.000 2.389 309 Q HA 0.010 4.349 4.340 -0.001 0.000 0.204 309 Q C 1.087 177.062 176.000 -0.041 0.000 0.944 309 Q CA 0.680 56.463 55.803 -0.032 0.000 0.908 309 Q CB -0.002 28.723 28.738 -0.021 0.000 1.002 309 Q HN 0.362 nan 8.270 nan 0.000 0.493 310 N N -1.989 116.679 118.700 -0.053 0.000 2.159 310 N HA -0.009 4.730 4.740 -0.001 0.000 0.217 310 N C 0.986 176.450 175.510 -0.075 0.000 1.223 310 N CA 0.097 53.117 53.050 -0.050 0.000 0.896 310 N CB -0.252 38.213 38.487 -0.037 0.000 1.064 310 N HN 0.034 nan 8.380 nan 0.000 0.518 311 V N 0.422 120.256 119.914 -0.133 0.000 2.490 311 V HA -0.007 4.113 4.120 -0.001 0.000 0.250 311 V C 2.180 178.086 176.094 -0.313 0.000 1.061 311 V CA 1.981 64.156 62.300 -0.208 0.000 1.064 311 V CB -0.788 30.882 31.823 -0.254 0.000 0.670 311 V HN 0.440 nan 8.190 nan 0.000 0.461 312 A N -0.280 122.338 122.820 -0.337 0.000 1.898 312 A HA 0.042 4.361 4.320 -0.001 0.000 0.216 312 A C 2.398 180.025 177.584 0.072 0.000 1.181 312 A CA 1.872 53.829 52.037 -0.134 0.000 0.620 312 A CB -0.858 18.148 19.000 0.010 0.000 0.819 312 A HN 0.762 nan 8.150 nan 0.000 0.442 313 A N -0.419 122.418 122.820 0.029 0.000 1.898 313 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 313 A C 2.231 179.861 177.584 0.076 0.000 1.181 313 A CA 1.215 53.287 52.037 0.057 0.000 0.620 313 A CB -0.395 18.620 19.000 0.026 0.000 0.819 313 A HN 0.395 nan 8.150 nan 0.000 0.442 314 R N 0.124 120.664 120.500 0.067 0.000 2.075 314 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 314 R C 2.378 178.742 176.300 0.107 0.000 1.126 314 R CA 1.555 57.756 56.100 0.168 0.000 0.963 314 R CB -0.956 29.438 30.300 0.157 0.000 0.858 314 R HN 0.522 nan 8.270 nan 0.000 0.435 315 S N 1.335 117.049 115.700 0.023 0.000 2.383 315 S HA -0.115 4.355 4.470 -0.001 0.000 0.227 315 S C 1.284 175.799 174.600 -0.141 0.000 1.026 315 S CA 1.182 59.308 58.200 -0.124 0.000 0.981 315 S CB -0.222 63.031 63.200 0.088 0.000 0.818 315 S HN 0.251 nan 8.310 nan 0.000 0.472 316 D N 1.784 122.282 120.400 0.163 0.000 2.177 316 D HA -0.151 4.488 4.640 -0.001 0.000 0.189 316 D C 1.899 178.211 176.300 0.020 0.000 1.002 316 D CA 1.136 55.282 54.000 0.242 0.000 0.845 316 D CB -0.615 40.311 40.800 0.210 0.000 0.960 316 D HN 0.271 nan 8.370 nan 0.000 0.447 317 L N -0.149 121.068 121.223 -0.010 0.000 2.042 317 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 317 L C 2.489 179.188 176.870 -0.285 0.000 1.076 317 L CA 0.599 55.408 54.840 -0.051 0.000 0.749 317 L CB -0.260 41.844 42.059 0.075 0.000 0.893 317 L HN 0.090 nan 8.230 nan 0.000 0.432 318 L N -1.027 119.847 121.223 -0.582 0.000 2.072 318 L HA -0.115 4.225 4.340 -0.001 0.000 0.205 318 L C 2.304 178.482 176.870 -1.154 0.000 1.079 318 L CA 1.483 55.637 54.840 -1.142 0.000 0.752 318 L CB -0.274 40.787 42.059 -1.663 0.000 0.906 318 L HN -0.089 nan 8.230 nan 0.000 0.436 319 V N 0.000 119.363 119.914 -0.918 0.000 2.407 319 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 319 V C 2.288 178.206 176.094 -0.293 0.000 1.055 319 V CA 1.890 63.794 62.300 -0.661 0.000 1.049 319 V CB -0.768 30.655 31.823 -0.665 0.000 0.662 319 V HN 0.594 nan 8.190 nan 0.000 0.455 320 D N -0.708 119.591 120.400 -0.168 0.000 2.117 320 D HA -0.209 4.431 4.640 -0.001 0.000 0.197 320 D C 2.232 178.509 176.300 -0.039 0.000 0.987 320 D CA 1.228 55.240 54.000 0.019 0.000 0.829 320 D CB -0.017 40.853 40.800 0.116 0.000 0.961 320 D HN 0.287 nan 8.370 nan 0.000 0.460 321 Q N -0.493 119.217 119.800 -0.150 0.000 2.050 321 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 321 Q C 2.163 178.181 176.000 0.030 0.000 0.980 321 Q CA 0.997 56.739 55.803 -0.101 0.000 0.840 321 Q CB -0.615 28.005 28.738 -0.196 0.000 0.898 321 Q HN 0.554 nan 8.270 nan 0.000 0.424 322 W N 1.454 122.644 121.300 -0.183 0.000 2.338 322 W HA -0.106 4.553 4.660 -0.001 0.000 0.304 322 W C 2.088 178.474 176.519 -0.222 0.000 1.212 322 W CA 0.770 58.001 57.345 -0.190 0.000 1.264 322 W CB -0.651 28.666 29.460 -0.238 0.000 1.142 322 W HN 0.214 nan 8.180 nan 0.000 0.512 323 K N 0.094 120.435 120.400 -0.098 0.000 2.155 323 K HA -0.123 4.197 4.320 -0.001 0.000 0.203 323 K C 1.952 178.396 176.600 -0.260 0.000 1.052 323 K CA 1.110 57.179 56.287 -0.362 0.000 0.948 323 K CB -0.170 31.817 32.500 -0.854 0.000 0.728 323 K HN 0.070 nan 8.250 nan 0.000 0.448 324 K N 0.980 121.321 120.400 -0.098 0.000 2.025 324 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 324 K C 2.095 178.765 176.600 0.116 0.000 1.049 324 K CA 1.209 57.567 56.287 0.118 0.000 0.933 324 K CB -0.018 32.567 32.500 0.143 0.000 0.714 324 K HN 0.003 nan 8.250 nan 0.000 0.438 325 K N 0.812 121.281 120.400 0.116 0.000 2.063 325 K HA -0.158 4.162 4.320 -0.001 0.000 0.208 325 K C 2.039 178.746 176.600 0.180 0.000 1.048 325 K CA 1.369 57.746 56.287 0.150 0.000 0.928 325 K CB -0.117 32.485 32.500 0.170 0.000 0.713 325 K HN 0.154 nan 8.250 nan 0.000 0.442 326 A N 1.141 124.047 122.820 0.143 0.000 2.019 326 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 326 A C 1.719 179.462 177.584 0.266 0.000 1.164 326 A CA 1.333 53.486 52.037 0.194 0.000 0.644 326 A CB -0.321 18.724 19.000 0.076 0.000 0.805 326 A HN 0.308 nan 8.150 nan 0.000 0.449 327 E N 0.034 120.376 120.200 0.236 0.000 2.265 327 E HA -0.092 4.258 4.350 -0.001 0.000 0.196 327 E C 1.584 178.313 176.600 0.215 0.000 0.996 327 E CA 0.639 57.195 56.400 0.260 0.000 0.832 327 E CB -0.236 29.643 29.700 0.298 0.000 0.756 327 E HN 0.719 nan 8.360 nan 0.000 0.491 328 L N -0.528 120.773 121.223 0.130 0.000 2.599 328 L HA 0.038 4.378 4.340 -0.001 0.000 0.230 328 L C 0.226 176.882 176.870 -0.357 0.000 1.141 328 L CA 0.279 55.061 54.840 -0.096 0.000 0.877 328 L CB -0.104 41.778 42.059 -0.296 0.000 1.009 328 L HN 0.002 nan 8.230 nan 0.000 0.447 329 Y N -1.662 118.721 120.300 0.137 0.000 2.633 329 Y HA 0.373 4.923 4.550 -0.001 0.000 0.339 329 Y C 1.130 177.145 175.900 0.192 0.000 1.045 329 Y CA -0.986 57.215 58.100 0.167 0.000 1.098 329 Y CB 1.199 39.765 38.460 0.177 0.000 1.296 329 Y HN -0.286 nan 8.280 nan 0.000 0.494 330 R N -0.567 120.171 120.500 0.396 0.000 2.254 330 R HA 0.084 4.424 4.340 -0.001 0.000 0.195 330 R C 0.373 176.804 176.300 0.218 0.000 0.957 330 R CA 0.800 57.048 56.100 0.247 0.000 1.024 330 R CB 0.226 30.606 30.300 0.135 0.000 0.952 330 R HN 0.745 nan 8.270 nan 0.000 0.484 331 T N -0.711 114.010 114.554 0.279 0.000 2.922 331 T HA 0.104 4.454 4.350 -0.001 0.000 0.281 331 T C 0.628 175.449 174.700 0.202 0.000 1.005 331 T CA -0.938 61.287 62.100 0.209 0.000 0.982 331 T CB 1.196 70.170 68.868 0.177 0.000 1.158 331 T HN 0.084 nan 8.240 nan 0.000 0.566 332 N N 0.071 118.856 118.700 0.141 0.000 2.327 332 N HA 0.145 4.885 4.740 -0.001 0.000 0.231 332 N C -0.738 174.751 175.510 -0.034 0.000 1.130 332 N CA -0.373 52.706 53.050 0.050 0.000 0.845 332 N CB -0.129 38.278 38.487 -0.135 0.000 1.073 332 N HN 0.373 nan 8.380 nan 0.000 0.496 333 V N 1.272 121.199 119.914 0.022 0.000 2.409 333 V HA 0.421 4.540 4.120 -0.001 0.000 0.291 333 V C -0.633 175.539 176.094 0.131 0.000 1.020 333 V CA -0.969 61.348 62.300 0.028 0.000 0.848 333 V CB 1.595 33.415 31.823 -0.005 0.000 0.990 333 V HN 0.192 nan 8.190 nan 0.000 0.430 334 L N 5.699 126.942 121.223 0.033 0.000 2.341 334 L HA 0.700 5.039 4.340 -0.001 0.000 0.278 334 L C -0.869 175.864 176.870 -0.229 0.000 1.005 334 L CA -0.466 54.311 54.840 -0.104 0.000 0.818 334 L CB 1.685 43.581 42.059 -0.271 0.000 1.259 334 L HN 0.634 nan 8.230 nan 0.000 0.418 335 L N 6.293 127.165 121.223 -0.585 0.000 2.264 335 L HA 0.564 4.904 4.340 -0.001 0.000 0.289 335 L C -1.054 175.516 176.870 -0.500 0.000 1.044 335 L CA 0.126 54.465 54.840 -0.836 0.000 0.807 335 L CB 0.806 41.869 42.059 -1.660 0.000 1.192 335 L HN 0.444 nan 8.230 nan 0.000 0.425 336 I N 7.351 127.711 120.570 -0.349 0.000 2.537 336 I HA 0.344 4.513 4.170 -0.001 0.000 0.276 336 I C -2.294 173.796 176.117 -0.044 0.000 1.063 336 I CA -2.004 59.182 61.300 -0.190 0.000 1.144 336 I CB 1.071 38.922 38.000 -0.248 0.000 1.252 336 I HN 0.430 nan 8.210 nan 0.000 0.480 337 P HA 0.169 nan 4.420 nan 0.000 0.269 337 P C -0.486 176.995 177.300 0.302 0.000 1.209 337 P CA -0.233 63.000 63.100 0.221 0.000 0.776 337 P CB 0.848 32.708 31.700 0.266 0.000 0.876 338 L N 2.827 124.273 121.223 0.372 0.000 2.492 338 L HA 0.761 5.101 4.340 -0.001 0.000 0.258 338 L C -0.167 176.769 176.870 0.110 0.000 1.028 338 L CA 0.388 55.361 54.840 0.221 0.000 0.900 338 L CB 0.517 42.637 42.059 0.101 0.000 1.191 338 L HN 0.611 nan 8.230 nan 0.000 0.459 339 G N 1.721 110.468 108.800 -0.088 0.000 2.342 339 G HA2 0.478 4.438 3.960 -0.001 0.000 0.297 339 G HA3 0.478 4.438 3.960 -0.001 0.000 0.297 339 G C -2.194 172.596 174.900 -0.184 0.000 1.313 339 G CA -0.209 44.596 45.100 -0.493 0.000 0.830 339 G HN 0.412 nan 8.290 nan 0.000 0.506 340 D N -1.862 118.500 120.400 -0.063 0.000 3.010 340 D HA 0.223 4.862 4.640 -0.001 0.000 0.353 340 D C -1.006 175.441 176.300 0.245 0.000 1.415 340 D CA -0.618 53.523 54.000 0.236 0.000 0.864 340 D CB 0.770 41.656 40.800 0.143 0.000 1.445 340 D HN 0.221 nan 8.370 nan 0.000 0.516 341 N N 0.670 119.569 118.700 0.331 0.000 2.468 341 N HA 0.194 4.934 4.740 -0.001 0.000 0.265 341 N C -0.128 175.551 175.510 0.282 0.000 1.199 341 N CA 0.348 53.585 53.050 0.312 0.000 0.928 341 N CB -0.410 38.364 38.487 0.478 0.000 1.059 341 N HN 0.440 nan 8.380 nan 0.000 0.467 342 F N -0.686 119.342 119.950 0.131 0.000 3.048 342 F HA -0.305 4.222 4.527 -0.000 0.000 0.269 342 F C 0.976 176.823 175.800 0.077 0.000 0.960 342 F CA 0.633 58.684 58.000 0.085 0.000 0.909 342 F CB -0.871 38.166 39.000 0.061 0.000 0.837 342 F HN 0.332 nan 8.300 nan 0.000 0.768 343 R N -0.408 120.187 120.500 0.159 0.000 2.580 343 R HA 0.496 4.836 4.340 -0.001 0.000 0.267 343 R C 0.743 177.080 176.300 0.061 0.000 1.125 343 R CA -0.744 55.334 56.100 -0.038 0.000 1.188 343 R CB -0.053 30.104 30.300 -0.238 0.000 1.155 343 R HN 0.248 nan 8.270 nan 0.000 0.586 344 F N -0.757 119.047 119.950 -0.242 0.000 3.071 344 F HA -0.282 4.245 4.527 -0.001 0.000 0.295 344 F C 1.374 177.162 175.800 -0.020 0.000 0.919 344 F CA 0.975 58.657 58.000 -0.531 0.000 1.050 344 F CB -0.919 37.502 39.000 -0.965 0.000 1.040 344 F HN 0.588 nan 8.300 nan 0.000 0.692 345 K N -0.042 120.431 120.400 0.121 0.000 2.099 345 K HA 0.034 4.354 4.320 -0.001 0.000 0.203 345 K C 0.660 177.411 176.600 0.253 0.000 1.047 345 K CA 0.891 57.314 56.287 0.227 0.000 0.963 345 K CB 0.218 32.816 32.500 0.163 0.000 0.759 345 K HN 0.345 nan 8.250 nan 0.000 0.451 346 Q N 0.985 120.907 119.800 0.203 0.000 2.235 346 Q HA 0.174 4.513 4.340 -0.001 0.000 0.250 346 Q C 0.360 176.560 176.000 0.333 0.000 0.909 346 Q CA -0.378 55.566 55.803 0.236 0.000 0.910 346 Q CB 1.442 30.350 28.738 0.284 0.000 1.223 346 Q HN 0.160 nan 8.270 nan 0.000 0.432 347 N N 0.632 119.500 118.700 0.280 0.000 2.149 347 N HA -0.167 4.572 4.740 -0.001 0.000 0.188 347 N C 1.430 177.116 175.510 0.294 0.000 1.019 347 N CA 1.979 55.202 53.050 0.288 0.000 0.857 347 N CB -0.237 38.357 38.487 0.178 0.000 0.997 347 N HN 0.779 nan 8.380 nan 0.000 0.426 348 T N -1.085 113.628 114.554 0.266 0.000 2.833 348 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 348 T C 1.708 176.612 174.700 0.340 0.000 1.054 348 T CA 1.141 63.415 62.100 0.290 0.000 1.135 348 T CB -0.106 68.918 68.868 0.260 0.000 0.869 348 T HN 0.336 nan 8.240 nan 0.000 0.466 349 E N -0.180 120.169 120.200 0.249 0.000 2.072 349 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 349 E C 1.826 178.339 176.600 -0.144 0.000 0.982 349 E CA 0.803 57.115 56.400 -0.148 0.000 0.803 349 E CB -0.266 29.173 29.700 -0.435 0.000 0.755 349 E HN 0.704 nan 8.360 nan 0.000 0.453 350 W N 1.821 123.062 121.300 -0.100 0.000 2.318 350 W HA -0.200 4.460 4.660 -0.001 0.000 0.313 350 W C 2.128 178.502 176.519 -0.242 0.000 1.221 350 W CA 1.356 58.549 57.345 -0.253 0.000 1.266 350 W CB -0.283 28.741 29.460 -0.726 0.000 1.150 350 W HN 0.192 nan 8.180 nan 0.000 0.496 351 D N -0.630 119.869 120.400 0.165 0.000 2.097 351 D HA -0.161 4.479 4.640 -0.001 0.000 0.197 351 D C 2.297 178.682 176.300 0.142 0.000 0.984 351 D CA 1.397 55.527 54.000 0.217 0.000 0.826 351 D CB -0.979 39.959 40.800 0.229 0.000 0.973 351 D HN 0.021 nan 8.370 nan 0.000 0.460 352 V N 1.047 121.035 119.914 0.123 0.000 2.427 352 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 352 V C 2.248 178.378 176.094 0.059 0.000 1.051 352 V CA 1.572 63.928 62.300 0.092 0.000 1.048 352 V CB -0.077 31.852 31.823 0.176 0.000 0.666 352 V HN 0.155 nan 8.190 nan 0.000 0.456 353 Q N -0.411 119.451 119.800 0.105 0.000 2.049 353 Q HA -0.172 4.168 4.340 -0.001 0.000 0.198 353 Q C 2.339 178.523 176.000 0.308 0.000 0.971 353 Q CA 1.710 57.667 55.803 0.256 0.000 0.833 353 Q CB -0.439 28.428 28.738 0.215 0.000 0.896 353 Q HN 0.609 nan 8.270 nan 0.000 0.434 354 R N 0.530 121.170 120.500 0.234 0.000 2.073 354 R HA -0.098 4.241 4.340 -0.001 0.000 0.234 354 R C 2.209 178.672 176.300 0.272 0.000 1.134 354 R CA 1.296 57.586 56.100 0.316 0.000 0.952 354 R CB -0.034 30.438 30.300 0.287 0.000 0.850 354 R HN 0.051 nan 8.270 nan 0.000 0.433 355 V N 1.902 121.897 119.914 0.135 0.000 2.358 355 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 355 V C 1.976 178.008 176.094 -0.103 0.000 1.047 355 V CA 1.772 64.100 62.300 0.047 0.000 1.035 355 V CB -0.583 31.258 31.823 0.030 0.000 0.658 355 V HN 0.434 nan 8.190 nan 0.000 0.452 356 N N -0.636 117.887 118.700 -0.295 0.000 2.120 356 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 356 N C 1.853 177.037 175.510 -0.542 0.000 1.024 356 N CA 1.639 54.300 53.050 -0.648 0.000 0.852 356 N CB -0.301 37.197 38.487 -1.647 0.000 1.003 356 N HN 0.522 nan 8.380 nan 0.000 0.424 357 Y N 1.881 121.980 120.300 -0.335 0.000 2.242 357 Y HA -0.072 4.477 4.550 -0.001 0.000 0.291 357 Y C 2.362 177.754 175.900 -0.847 0.000 1.137 357 Y CA 1.023 58.810 58.100 -0.522 0.000 1.181 357 Y CB -0.072 38.191 38.460 -0.328 0.000 0.989 357 Y HN 0.122 nan 8.280 nan 0.000 0.527 358 E N -0.254 119.794 120.200 -0.253 0.000 2.110 358 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 358 E C 2.182 178.728 176.600 -0.091 0.000 0.988 358 E CA 1.018 57.347 56.400 -0.119 0.000 0.804 358 E CB -0.112 29.655 29.700 0.113 0.000 0.745 358 E HN 0.458 nan 8.360 nan 0.000 0.458 359 R N 0.219 120.645 120.500 -0.123 0.000 2.092 359 R HA -0.059 4.280 4.340 -0.001 0.000 0.231 359 R C 2.405 178.677 176.300 -0.048 0.000 1.119 359 R CA 0.734 56.795 56.100 -0.065 0.000 0.970 359 R CB -0.170 30.073 30.300 -0.095 0.000 0.864 359 R HN 0.155 nan 8.270 nan 0.000 0.440 360 L N -0.435 120.692 121.223 -0.160 0.000 2.027 360 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 360 L C 2.163 179.083 176.870 0.084 0.000 1.074 360 L CA 1.491 56.278 54.840 -0.088 0.000 0.745 360 L CB -0.416 41.508 42.059 -0.224 0.000 0.898 360 L HN 0.161 nan 8.230 nan 0.000 0.433 361 F N -0.027 119.935 119.950 0.020 0.000 2.134 361 F HA -0.255 4.271 4.527 -0.001 0.000 0.299 361 F C 2.717 178.520 175.800 0.005 0.000 1.097 361 F CA 1.061 59.059 58.000 -0.003 0.000 1.264 361 F CB -0.222 38.736 39.000 -0.069 0.000 1.001 361 F HN 0.175 nan 8.300 nan 0.000 0.479 362 E N -0.058 120.271 120.200 0.215 0.000 2.077 362 E HA -0.304 4.046 4.350 -0.001 0.000 0.193 362 E C 1.965 178.649 176.600 0.139 0.000 0.989 362 E CA 1.513 57.999 56.400 0.144 0.000 0.800 362 E CB -0.162 29.607 29.700 0.116 0.000 0.746 362 E HN 0.468 nan 8.360 nan 0.000 0.452 363 H N 0.234 119.351 119.070 0.078 0.000 2.299 363 H HA -0.037 4.518 4.556 -0.001 0.000 0.302 363 H C 2.038 177.444 175.328 0.131 0.000 1.078 363 H CA 2.104 58.208 56.048 0.095 0.000 1.323 363 H CB -0.195 29.619 29.762 0.087 0.000 1.381 363 H HN 0.141 nan 8.280 nan 0.000 0.498 364 I N 0.467 121.077 120.570 0.067 0.000 2.163 364 I HA -0.302 3.868 4.170 -0.001 0.000 0.243 364 I C 1.672 177.792 176.117 0.006 0.000 1.085 364 I CA 1.439 62.728 61.300 -0.018 0.000 1.347 364 I CB -0.297 37.636 38.000 -0.112 0.000 1.044 364 I HN 0.361 nan 8.210 nan 0.000 0.408 365 N N 0.238 118.943 118.700 0.009 0.000 2.396 365 N HA -0.110 4.629 4.740 -0.001 0.000 0.180 365 N C 1.851 177.342 175.510 -0.032 0.000 1.028 365 N CA 1.467 54.504 53.050 -0.023 0.000 0.893 365 N CB -0.255 38.213 38.487 -0.031 0.000 0.967 365 N HN 0.409 nan 8.380 nan 0.000 0.440 366 S N -0.938 114.737 115.700 -0.042 0.000 2.517 366 S HA 0.129 4.598 4.470 -0.001 0.000 0.214 366 S C 0.598 175.146 174.600 -0.087 0.000 0.991 366 S CA -0.128 58.042 58.200 -0.050 0.000 0.906 366 S CB 0.257 63.441 63.200 -0.027 0.000 0.789 366 S HN -0.038 nan 8.310 nan 0.000 0.513 367 Q N 1.458 121.175 119.800 -0.138 0.000 2.503 367 Q HA 0.539 4.878 4.340 -0.001 0.000 0.227 367 Q C 1.041 176.894 176.000 -0.246 0.000 1.109 367 Q CA 0.134 55.808 55.803 -0.216 0.000 0.922 367 Q CB 0.981 29.482 28.738 -0.394 0.000 1.249 367 Q HN 0.473 nan 8.270 nan 0.000 0.530 368 A N 2.612 125.357 122.820 -0.126 0.000 1.997 368 A HA -0.281 4.039 4.320 -0.001 0.000 0.221 368 A C 1.608 179.118 177.584 -0.123 0.000 1.172 368 A CA 2.242 54.224 52.037 -0.092 0.000 0.645 368 A CB -0.755 18.223 19.000 -0.037 0.000 0.813 368 A HN 0.893 nan 8.150 nan 0.000 0.454 369 H N -3.333 115.663 119.070 -0.124 0.000 2.489 369 H HA -0.051 4.505 4.556 -0.001 0.000 0.295 369 H C 1.536 176.811 175.328 -0.087 0.000 1.082 369 H CA 1.594 57.557 56.048 -0.142 0.000 1.295 369 H CB -0.721 28.901 29.762 -0.234 0.000 1.380 369 H HN 0.524 nan 8.280 nan 0.000 0.548 370 F N 0.743 120.412 119.950 -0.467 0.000 2.293 370 F HA -0.011 4.516 4.527 -0.001 0.000 0.297 370 F C 0.659 176.407 175.800 -0.086 0.000 1.089 370 F CA 0.270 58.137 58.000 -0.222 0.000 1.377 370 F CB 0.071 38.907 39.000 -0.275 0.000 1.051 370 F HN 0.123 nan 8.300 nan 0.000 0.511 371 N N 0.880 119.631 118.700 0.086 0.000 2.738 371 N HA -0.161 4.578 4.740 -0.001 0.000 0.249 371 N C -1.195 174.311 175.510 -0.006 0.000 1.047 371 N CA 0.366 53.446 53.050 0.049 0.000 0.707 371 N CB -1.485 37.073 38.487 0.118 0.000 0.937 371 N HN 0.025 nan 8.380 nan 0.000 0.545 372 V N 0.621 120.519 119.914 -0.026 0.000 2.789 372 V HA 0.424 4.544 4.120 -0.001 0.000 0.311 372 V C 0.059 176.075 176.094 -0.129 0.000 1.073 372 V CA -0.671 61.565 62.300 -0.106 0.000 0.921 372 V CB 2.519 34.298 31.823 -0.072 0.000 1.009 372 V HN 0.199 nan 8.190 nan 0.000 0.426 373 Q N 2.972 122.642 119.800 -0.216 0.000 2.363 373 Q HA 0.758 5.097 4.340 -0.001 0.000 0.265 373 Q C -0.827 174.922 176.000 -0.419 0.000 1.032 373 Q CA -0.128 55.518 55.803 -0.261 0.000 0.746 373 Q CB 1.595 30.183 28.738 -0.250 0.000 1.237 373 Q HN 1.010 nan 8.270 nan 0.000 0.475 374 A N 4.223 126.775 122.820 -0.448 0.000 2.337 374 A HA 0.926 5.245 4.320 -0.001 0.000 0.329 374 A C -1.158 175.724 177.584 -1.170 0.000 1.146 374 A CA -0.485 51.110 52.037 -0.736 0.000 0.800 374 A CB 1.197 19.937 19.000 -0.433 0.000 1.220 374 A HN 0.766 nan 8.150 nan 0.000 0.472 375 Q N 1.182 120.198 119.800 -1.307 0.000 2.633 375 Q HA 0.400 4.740 4.340 -0.001 0.000 0.289 375 Q C -1.581 174.005 176.000 -0.691 0.000 0.940 375 Q CA -0.602 54.484 55.803 -1.196 0.000 0.785 375 Q CB 0.641 29.049 28.738 -0.549 0.000 1.467 375 Q HN 0.485 nan 8.270 nan 0.000 0.401 376 F N 0.325 120.207 119.950 -0.113 0.000 2.518 376 F HA 0.607 5.134 4.527 -0.000 0.000 0.359 376 F C 1.267 177.123 175.800 0.092 0.000 1.118 376 F CA 1.144 59.199 58.000 0.093 0.000 1.287 376 F CB 1.180 40.288 39.000 0.179 0.000 1.132 376 F HN 0.758 nan 8.300 nan 0.000 0.587 377 G N 0.527 109.517 108.800 0.317 0.000 2.687 377 G HA2 0.579 4.538 3.960 -0.001 0.000 0.291 377 G HA3 0.579 4.538 3.960 -0.001 0.000 0.291 377 G C -1.205 173.699 174.900 0.006 0.000 1.420 377 G CA -0.737 44.479 45.100 0.194 0.000 0.796 377 G HN 0.654 nan 8.290 nan 0.000 0.485 378 T N -1.858 112.618 114.554 -0.129 0.000 2.937 378 T HA 0.476 4.825 4.350 -0.001 0.000 0.283 378 T C 1.291 175.833 174.700 -0.264 0.000 1.012 378 T CA -0.462 61.524 62.100 -0.189 0.000 0.997 378 T CB 1.549 70.319 68.868 -0.162 0.000 1.136 378 T HN 0.568 nan 8.240 nan 0.000 0.551 379 L N 0.539 121.604 121.223 -0.264 0.000 2.046 379 L HA 0.013 4.352 4.340 -0.001 0.000 0.208 379 L C 2.761 179.578 176.870 -0.089 0.000 1.077 379 L CA 2.003 56.713 54.840 -0.217 0.000 0.747 379 L CB -1.102 40.860 42.059 -0.161 0.000 0.896 379 L HN 0.897 nan 8.230 nan 0.000 0.432 380 Q N -0.113 119.665 119.800 -0.037 0.000 2.124 380 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 380 Q C 2.057 177.983 176.000 -0.123 0.000 0.977 380 Q CA 1.917 57.733 55.803 0.022 0.000 0.850 380 Q CB -0.156 28.572 28.738 -0.017 0.000 0.901 380 Q HN 0.638 nan 8.270 nan 0.000 0.429 381 E N -1.140 118.896 120.200 -0.274 0.000 2.077 381 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 381 E C 1.675 177.816 176.600 -0.765 0.000 0.989 381 E CA 1.165 57.277 56.400 -0.481 0.000 0.800 381 E CB -0.322 29.023 29.700 -0.592 0.000 0.746 381 E HN 0.463 nan 8.360 nan 0.000 0.452 382 Y N 0.635 120.377 120.300 -0.930 0.000 2.097 382 Y HA -0.274 4.276 4.550 -0.001 0.000 0.282 382 Y C 1.858 177.453 175.900 -0.508 0.000 1.152 382 Y CA 1.715 59.307 58.100 -0.846 0.000 1.136 382 Y CB -0.620 37.373 38.460 -0.777 0.000 0.975 382 Y HN -0.031 nan 8.280 nan 0.000 0.498 383 F N 0.453 120.132 119.950 -0.453 0.000 2.171 383 F HA -0.217 4.309 4.527 -0.001 0.000 0.300 383 F C 2.216 177.782 175.800 -0.389 0.000 1.090 383 F CA 1.246 58.961 58.000 -0.476 0.000 1.293 383 F CB -0.293 38.627 39.000 -0.133 0.000 1.013 383 F HN 0.082 nan 8.300 nan 0.000 0.486 384 D N 0.321 120.664 120.400 -0.095 0.000 2.117 384 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 384 D C 2.287 178.507 176.300 -0.133 0.000 0.987 384 D CA 1.397 55.354 54.000 -0.072 0.000 0.829 384 D CB -0.535 40.214 40.800 -0.085 0.000 0.961 384 D HN 0.252 nan 8.370 nan 0.000 0.460 385 A N 0.499 123.184 122.820 -0.224 0.000 1.930 385 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 385 A C 2.519 179.978 177.584 -0.208 0.000 1.175 385 A CA 0.940 52.891 52.037 -0.144 0.000 0.627 385 A CB -0.649 18.343 19.000 -0.013 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N -0.055 119.595 119.914 -0.440 0.000 2.287 386 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 386 V C 2.414 178.311 176.094 -0.328 0.000 1.053 386 V CA 2.132 64.170 62.300 -0.437 0.000 1.027 386 V CB -1.026 30.351 31.823 -0.745 0.000 0.646 386 V HN 0.655 nan 8.190 nan 0.000 0.447 387 H N -0.302 118.648 119.070 -0.199 0.000 2.462 387 H HA -0.076 4.479 4.556 -0.001 0.000 0.292 387 H C 2.406 177.696 175.328 -0.063 0.000 1.049 387 H CA 1.328 57.292 56.048 -0.141 0.000 1.334 387 H CB -0.061 29.580 29.762 -0.202 0.000 1.404 387 H HN 0.555 nan 8.280 nan 0.000 0.544 388 Q N 0.275 120.088 119.800 0.021 0.000 2.084 388 Q HA -0.056 4.284 4.340 -0.001 0.000 0.202 388 Q C 2.561 178.576 176.000 0.025 0.000 0.978 388 Q CA 1.254 57.068 55.803 0.018 0.000 0.844 388 Q CB 0.015 28.752 28.738 -0.000 0.000 0.898 388 Q HN 0.403 nan 8.270 nan 0.000 0.426 389 A N 1.095 123.924 122.820 0.015 0.000 1.902 389 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 389 A C 1.937 179.549 177.584 0.046 0.000 1.181 389 A CA 1.627 53.686 52.037 0.037 0.000 0.623 389 A CB -0.575 18.450 19.000 0.041 0.000 0.818 389 A HN 0.450 nan 8.150 nan 0.000 0.443 390 E N -0.211 120.033 120.200 0.073 0.000 2.058 390 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 390 E C 2.223 178.859 176.600 0.060 0.000 0.997 390 E CA 1.281 57.732 56.400 0.085 0.000 0.801 390 E CB -0.139 29.716 29.700 0.259 0.000 0.746 390 E HN 0.582 nan 8.360 nan 0.000 0.450 391 R N -0.338 120.200 120.500 0.064 0.000 2.148 391 R HA -0.027 4.312 4.340 -0.001 0.000 0.227 391 R C 2.077 178.394 176.300 0.028 0.000 1.103 391 R CA 0.813 56.937 56.100 0.041 0.000 0.983 391 R CB -0.102 30.218 30.300 0.033 0.000 0.874 391 R HN 0.131 nan 8.270 nan 0.000 0.451 392 A N 0.230 123.067 122.820 0.029 0.000 2.235 392 A HA 0.179 4.499 4.320 -0.001 0.000 0.208 392 A C 1.339 178.935 177.584 0.019 0.000 1.172 392 A CA 0.769 52.821 52.037 0.025 0.000 0.786 392 A CB -0.180 18.840 19.000 0.034 0.000 0.804 392 A HN 0.443 nan 8.150 nan 0.000 0.479 393 G N -0.334 108.474 108.800 0.013 0.000 2.136 393 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.242 393 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.242 393 G C 0.725 175.619 174.900 -0.009 0.000 0.989 393 G CA 0.708 45.807 45.100 -0.001 0.000 0.682 393 G HN 0.987 nan 8.290 nan 0.000 0.522 394 Q N -0.818 118.982 119.800 0.001 0.000 2.425 394 Q HA 0.667 5.007 4.340 -0.001 0.000 0.204 394 Q C 0.898 176.877 176.000 -0.035 0.000 0.933 394 Q CA 1.170 56.976 55.803 0.005 0.000 0.939 394 Q CB 0.395 29.171 28.738 0.065 0.000 1.044 394 Q HN 1.657 nan 8.270 nan 0.000 0.513 395 A N 1.118 123.872 122.820 -0.110 0.000 2.604 395 A HA 0.536 4.856 4.320 -0.001 0.000 0.295 395 A C -1.706 175.650 177.584 -0.379 0.000 1.067 395 A CA -0.946 50.936 52.037 -0.259 0.000 0.683 395 A CB 1.305 20.089 19.000 -0.360 0.000 1.281 395 A HN 0.356 nan 8.150 nan 0.000 0.407 396 E N 0.686 120.640 120.200 -0.409 0.000 2.317 396 E HA 0.755 5.105 4.350 -0.001 0.000 0.270 396 E C -1.710 174.667 176.600 -0.371 0.000 0.885 396 E CA -0.594 55.632 56.400 -0.290 0.000 0.760 396 E CB 1.886 31.535 29.700 -0.086 0.000 1.227 396 E HN 0.388 nan 8.360 nan 0.000 0.434 397 F N 1.472 121.528 119.950 0.177 0.000 2.492 397 F HA 0.427 4.954 4.527 0.000 0.000 0.327 397 F C -1.835 174.066 175.800 0.168 0.000 1.079 397 F CA -2.128 55.999 58.000 0.212 0.000 0.967 397 F CB 1.577 40.784 39.000 0.345 0.000 1.169 397 F HN 0.331 nan 8.300 nan 0.000 0.472 398 P HA 0.158 nan 4.420 nan 0.000 0.274 398 P C -0.713 176.726 177.300 0.231 0.000 1.237 398 P CA -0.368 62.862 63.100 0.217 0.000 0.793 398 P CB 1.048 32.844 31.700 0.161 0.000 0.977 399 T N -0.342 114.302 114.554 0.150 0.000 2.907 399 T HA 0.679 5.029 4.350 -0.001 0.000 0.284 399 T C -0.281 174.450 174.700 0.052 0.000 1.004 399 T CA -0.804 61.377 62.100 0.134 0.000 1.063 399 T CB 1.075 69.999 68.868 0.094 0.000 0.992 399 T HN 0.468 nan 8.240 nan 0.000 0.483 400 L N 1.802 123.053 121.223 0.048 0.000 2.472 400 L HA 0.731 5.071 4.340 -0.001 0.000 0.260 400 L C -0.738 176.120 176.870 -0.019 0.000 0.963 400 L CA -0.425 54.336 54.840 -0.132 0.000 0.829 400 L CB 2.197 43.942 42.059 -0.524 0.000 1.348 400 L HN 1.110 nan 8.230 nan 0.000 0.408 401 S N 2.420 118.063 115.700 -0.095 0.000 2.595 401 S HA 1.059 5.529 4.470 -0.001 0.000 0.281 401 S C -0.353 174.170 174.600 -0.128 0.000 1.117 401 S CA -0.023 58.180 58.200 0.005 0.000 0.873 401 S CB 2.051 65.220 63.200 -0.052 0.000 1.108 401 S HN 1.696 nan 8.310 nan 0.000 0.477 402 G N 1.044 109.824 108.800 -0.033 0.000 2.343 402 G HA2 0.328 4.288 3.960 -0.001 0.000 0.562 402 G HA3 0.328 4.288 3.960 -0.001 0.000 0.562 402 G C -1.823 172.972 174.900 -0.175 0.000 1.269 402 G CA -0.015 44.967 45.100 -0.196 0.000 1.011 402 G HN 1.288 nan 8.290 nan 0.000 0.498 403 D N -1.650 118.514 120.400 -0.394 0.000 2.585 403 D HA 0.741 5.381 4.640 -0.001 0.000 0.254 403 D C -0.539 175.237 176.300 -0.873 0.000 1.067 403 D CA -1.099 52.681 54.000 -0.367 0.000 1.090 403 D CB 1.057 41.822 40.800 -0.059 0.000 1.408 403 D HN 0.412 nan 8.370 nan 0.000 0.554 404 F N -0.481 119.332 119.950 -0.228 0.000 2.761 404 F HA 0.410 4.936 4.527 -0.001 0.000 0.367 404 F C -0.748 174.886 175.800 -0.277 0.000 1.386 404 F CA -0.675 57.195 58.000 -0.217 0.000 1.177 404 F CB 0.206 39.112 39.000 -0.157 0.000 1.092 404 F HN -0.007 nan 8.300 nan 0.000 0.517 405 F N -0.686 119.438 119.950 0.290 0.000 2.561 405 F HA 0.522 5.049 4.527 -0.000 0.000 0.321 405 F C 0.566 176.625 175.800 0.432 0.000 1.065 405 F CA -1.166 57.079 58.000 0.408 0.000 0.934 405 F CB 1.832 41.063 39.000 0.385 0.000 1.215 405 F HN -0.282 nan 8.300 nan 0.000 0.471 406 T N 1.638 116.583 114.554 0.652 0.000 2.799 406 T HA 0.141 4.490 4.350 -0.001 0.000 0.286 406 T C -0.940 174.232 174.700 0.787 0.000 0.973 406 T CA -0.249 62.299 62.100 0.746 0.000 1.035 406 T CB 0.254 69.428 68.868 0.510 0.000 0.932 406 T HN 0.362 nan 8.240 nan 0.000 0.469 407 Y N 2.966 123.603 120.300 0.561 0.000 2.497 407 Y HA 0.429 4.979 4.550 -0.001 0.000 0.334 407 Y C -0.161 175.794 175.900 0.092 0.000 1.199 407 Y CA -1.101 57.163 58.100 0.272 0.000 1.425 407 Y CB 0.171 38.667 38.460 0.060 0.000 1.291 407 Y HN 0.679 nan 8.280 nan 0.000 0.562 408 A N 5.112 127.466 122.820 -0.777 0.000 2.374 408 A HA 0.358 4.678 4.320 -0.001 0.000 0.305 408 A C -0.141 176.824 177.584 -1.032 0.000 1.053 408 A CA -0.276 51.164 52.037 -0.995 0.000 0.726 408 A CB 0.691 18.849 19.000 -1.402 0.000 1.229 408 A HN 0.803 nan 8.150 nan 0.000 0.431 409 D N 1.598 121.544 120.400 -0.758 0.000 2.346 409 D HA 0.056 4.695 4.640 -0.001 0.000 0.206 409 D C 0.520 176.832 176.300 0.019 0.000 1.001 409 D CA 0.521 54.337 54.000 -0.307 0.000 0.871 409 D CB 0.163 40.924 40.800 -0.065 0.000 0.943 409 D HN 0.733 nan 8.370 nan 0.000 0.518 410 R N -2.326 118.126 120.500 -0.081 0.000 2.739 410 R HA 0.380 4.720 4.340 -0.001 0.000 0.266 410 R C -0.118 176.081 176.300 -0.169 0.000 1.044 410 R CA -0.137 55.766 56.100 -0.329 0.000 0.885 410 R CB 0.707 30.890 30.300 -0.195 0.000 1.260 410 R HN -0.120 nan 8.270 nan 0.000 0.477 411 S N 0.391 115.948 115.700 -0.238 0.000 4.110 411 S HA -0.313 4.157 4.470 -0.001 0.000 0.573 411 S C 0.501 175.196 174.600 0.159 0.000 1.936 411 S CA 2.102 60.307 58.200 0.009 0.000 4.227 411 S CB -1.101 62.089 63.200 -0.017 0.000 0.327 411 S HN 1.090 nan 8.310 nan 0.000 0.532 412 D N 1.444 121.913 120.400 0.115 0.000 2.463 412 D HA 0.210 4.850 4.640 -0.001 0.000 0.224 412 D C -0.057 176.345 176.300 0.170 0.000 1.174 412 D CA -0.178 53.953 54.000 0.219 0.000 0.829 412 D CB -1.462 39.447 40.800 0.182 0.000 0.993 412 D HN 0.529 nan 8.370 nan 0.000 0.497 413 N N 0.974 119.680 118.700 0.011 0.000 2.807 413 N HA 0.056 4.795 4.740 -0.001 0.000 0.259 413 N C -0.929 174.597 175.510 0.027 0.000 1.149 413 N CA -0.321 52.737 53.050 0.013 0.000 1.042 413 N CB 0.163 38.643 38.487 -0.012 0.000 1.367 413 N HN 0.130 nan 8.380 nan 0.000 0.516 414 Y N 0.214 120.598 120.300 0.142 0.000 2.316 414 Y HA 0.109 4.658 4.550 -0.001 0.000 0.331 414 Y C 0.106 176.200 175.900 0.324 0.000 1.083 414 Y CA -0.646 57.603 58.100 0.248 0.000 1.206 414 Y CB 0.550 39.104 38.460 0.157 0.000 1.195 414 Y HN 0.393 nan 8.280 nan 0.000 0.497 415 W N 2.512 123.939 121.300 0.211 0.000 1.496 415 W HA 0.228 4.888 4.660 -0.000 0.000 0.422 415 W C 0.831 177.392 176.519 0.071 0.000 0.638 415 W CA -0.528 56.971 57.345 0.257 0.000 2.105 415 W CB -0.436 29.282 29.460 0.430 0.000 1.639 415 W HN 0.557 nan 8.180 nan 0.000 0.304 416 S N -2.054 113.677 115.700 0.052 0.000 2.524 416 S HA 0.130 4.599 4.470 -0.001 0.000 0.215 416 S C 1.941 176.267 174.600 -0.456 0.000 0.986 416 S CA 0.323 58.188 58.200 -0.558 0.000 0.911 416 S CB 0.179 63.371 63.200 -0.013 0.000 0.805 416 S HN 0.344 nan 8.310 nan 0.000 0.501 417 G N 1.987 110.719 108.800 -0.113 0.000 2.408 417 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 417 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 417 G C 1.246 176.124 174.900 -0.038 0.000 1.150 417 G CA 0.884 45.929 45.100 -0.092 0.000 0.776 417 G HN 0.803 nan 8.290 nan 0.000 0.542 418 Y N -0.789 119.480 120.300 -0.052 0.000 2.616 418 Y HA 0.164 4.714 4.550 -0.001 0.000 0.296 418 Y C 1.947 177.966 175.900 0.200 0.000 1.154 418 Y CA -0.014 58.134 58.100 0.079 0.000 1.325 418 Y CB -0.537 38.052 38.460 0.216 0.000 1.007 418 Y HN 0.340 nan 8.280 nan 0.000 0.542 419 Y N 0.274 120.351 120.300 -0.372 0.000 2.574 419 Y HA -0.102 4.448 4.550 -0.001 0.000 0.294 419 Y C 1.441 177.287 175.900 -0.089 0.000 1.142 419 Y CA 0.618 58.535 58.100 -0.305 0.000 1.314 419 Y CB 0.131 38.448 38.460 -0.237 0.000 0.991 419 Y HN 0.260 nan 8.280 nan 0.000 0.555 420 T N -2.385 112.233 114.554 0.107 0.000 2.980 420 T HA 0.043 4.393 4.350 -0.001 0.000 0.252 420 T C 0.620 175.405 174.700 0.141 0.000 0.962 420 T CA -0.182 61.984 62.100 0.110 0.000 0.932 420 T CB 0.122 69.026 68.868 0.061 0.000 1.188 420 T HN -0.087 nan 8.240 nan 0.000 0.500 421 S N 2.534 118.315 115.700 0.134 0.000 2.573 421 S HA 0.158 4.628 4.470 -0.001 0.000 0.297 421 S C 0.414 175.147 174.600 0.221 0.000 1.280 421 S CA 0.043 58.335 58.200 0.154 0.000 1.061 421 S CB 0.061 63.337 63.200 0.127 0.000 0.812 421 S HN 0.406 nan 8.310 nan 0.000 0.500 422 R N 1.032 121.680 120.500 0.246 0.000 3.146 422 R HA -0.125 4.215 4.340 -0.001 0.000 0.250 422 R C -1.920 174.625 176.300 0.407 0.000 0.912 422 R CA 0.700 57.021 56.100 0.368 0.000 0.633 422 R CB -1.802 28.750 30.300 0.420 0.000 1.180 422 R HN 0.515 nan 8.270 nan 0.000 0.464 423 P HA -0.228 nan 4.420 nan 0.000 0.223 423 P C 1.124 178.630 177.300 0.342 0.000 1.151 423 P CA 1.004 64.317 63.100 0.356 0.000 0.787 423 P CB -0.022 31.931 31.700 0.421 0.000 0.788 424 Y N 1.525 121.911 120.300 0.143 0.000 2.165 424 Y HA -0.239 4.310 4.550 -0.001 0.000 0.286 424 Y C 2.614 178.484 175.900 -0.050 0.000 1.155 424 Y CA 1.886 59.988 58.100 0.004 0.000 1.164 424 Y CB -0.792 37.549 38.460 -0.199 0.000 0.978 424 Y HN 0.069 nan 8.280 nan 0.000 0.513 425 H N -0.468 118.843 119.070 0.401 0.000 2.470 425 H HA -0.029 4.526 4.556 -0.001 0.000 0.289 425 H C 2.007 177.482 175.328 0.245 0.000 1.033 425 H CA 1.235 57.441 56.048 0.263 0.000 1.331 425 H CB -0.020 29.964 29.762 0.369 0.000 1.414 425 H HN 0.390 nan 8.280 nan 0.000 0.545 426 K N 0.731 121.343 120.400 0.354 0.000 2.057 426 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 426 K C 2.430 179.085 176.600 0.092 0.000 1.049 426 K CA 1.105 57.542 56.287 0.249 0.000 0.931 426 K CB 0.099 32.723 32.500 0.207 0.000 0.714 426 K HN -0.017 nan 8.250 nan 0.000 0.440 427 R N 1.375 121.900 120.500 0.042 0.000 2.075 427 R HA -0.011 4.329 4.340 -0.001 0.000 0.232 427 R C 2.056 178.123 176.300 -0.388 0.000 1.126 427 R CA 1.432 57.490 56.100 -0.070 0.000 0.963 427 R CB -0.420 29.931 30.300 0.085 0.000 0.858 427 R HN 0.161 nan 8.270 nan 0.000 0.435 428 M N 0.271 119.505 119.600 -0.609 0.000 2.149 428 M HA -0.206 4.274 4.480 -0.001 0.000 0.261 428 M C 1.449 177.427 176.300 -0.536 0.000 1.064 428 M CA 2.418 57.111 55.300 -1.011 0.000 1.102 428 M CB -0.325 31.857 32.600 -0.697 0.000 1.369 428 M HN 0.288 nan 8.290 nan 0.000 0.408 429 D N -0.274 119.998 120.400 -0.214 0.000 2.116 429 D HA -0.222 4.418 4.640 -0.001 0.000 0.193 429 D C 1.893 178.117 176.300 -0.128 0.000 0.998 429 D CA 1.482 55.457 54.000 -0.041 0.000 0.836 429 D CB 0.117 41.035 40.800 0.197 0.000 0.951 429 D HN 0.219 nan 8.370 nan 0.000 0.449 430 R N 0.038 120.440 120.500 -0.163 0.000 2.090 430 R HA -0.006 4.333 4.340 -0.001 0.000 0.228 430 R C 2.432 178.589 176.300 -0.239 0.000 1.110 430 R CA 0.415 56.409 56.100 -0.176 0.000 0.973 430 R CB -0.954 29.260 30.300 -0.143 0.000 0.869 430 R HN 0.261 nan 8.270 nan 0.000 0.440 431 V N 1.533 121.235 119.914 -0.353 0.000 2.261 431 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 431 V C 2.374 178.329 176.094 -0.232 0.000 1.047 431 V CA 1.530 63.606 62.300 -0.373 0.000 1.015 431 V CB -0.577 30.836 31.823 -0.683 0.000 0.642 431 V HN 0.139 nan 8.190 nan 0.000 0.446 432 L N -0.367 120.717 121.223 -0.231 0.000 2.083 432 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 432 L C 2.314 179.125 176.870 -0.098 0.000 1.083 432 L CA 2.066 56.844 54.840 -0.103 0.000 0.752 432 L CB -0.658 41.321 42.059 -0.132 0.000 0.899 432 L HN 0.340 nan 8.230 nan 0.000 0.433 433 M N -1.465 118.052 119.600 -0.138 0.000 2.082 433 M HA -0.306 4.173 4.480 -0.001 0.000 0.258 433 M C 2.435 178.633 176.300 -0.170 0.000 1.069 433 M CA 2.290 57.494 55.300 -0.160 0.000 1.102 433 M CB -0.612 31.860 32.600 -0.213 0.000 1.336 433 M HN 0.537 nan 8.290 nan 0.000 0.404 434 H N -0.974 117.942 119.070 -0.257 0.000 2.363 434 H HA -0.159 4.397 4.556 -0.001 0.000 0.301 434 H C 1.189 176.396 175.328 -0.202 0.000 1.074 434 H CA 1.781 57.664 56.048 -0.275 0.000 1.354 434 H CB -0.161 29.366 29.762 -0.391 0.000 1.397 434 H HN 0.462 nan 8.280 nan 0.000 0.516 435 Y N 0.182 120.338 120.300 -0.240 0.000 2.578 435 Y HA -0.021 4.529 4.550 -0.001 0.000 0.297 435 Y C 2.472 178.260 175.900 -0.186 0.000 1.176 435 Y CA 0.179 58.144 58.100 -0.225 0.000 1.315 435 Y CB 0.025 38.420 38.460 -0.109 0.000 1.031 435 Y HN 0.053 nan 8.280 nan 0.000 0.524 436 V N -0.361 119.521 119.914 -0.053 0.000 2.379 436 V HA -0.192 3.928 4.120 -0.001 0.000 0.243 436 V C 2.535 178.568 176.094 -0.102 0.000 1.035 436 V CA 1.699 63.955 62.300 -0.074 0.000 1.035 436 V CB -0.364 31.407 31.823 -0.088 0.000 0.673 436 V HN 0.239 nan 8.190 nan 0.000 0.457 437 R N 0.693 121.101 120.500 -0.153 0.000 2.083 437 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 437 R C 2.218 178.462 176.300 -0.093 0.000 1.137 437 R CA 2.003 58.025 56.100 -0.130 0.000 0.951 437 R CB -0.494 29.715 30.300 -0.151 0.000 0.851 437 R HN 0.454 nan 8.270 nan 0.000 0.434 438 A N 0.600 123.319 122.820 -0.168 0.000 1.930 438 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 438 A C 2.370 179.965 177.584 0.019 0.000 1.175 438 A CA 1.551 53.585 52.037 -0.005 0.000 0.627 438 A CB -0.714 18.260 19.000 -0.044 0.000 0.815 438 A HN 0.577 nan 8.150 nan 0.000 0.443 439 A N -0.128 122.689 122.820 -0.005 0.000 1.898 439 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 439 A C 1.938 179.495 177.584 -0.046 0.000 1.181 439 A CA 1.559 53.585 52.037 -0.017 0.000 0.620 439 A CB -0.498 18.484 19.000 -0.030 0.000 0.819 439 A HN 0.619 nan 8.150 nan 0.000 0.442 440 E N -0.991 119.174 120.200 -0.058 0.000 2.072 440 E HA -0.195 4.154 4.350 -0.001 0.000 0.191 440 E C 2.066 178.615 176.600 -0.086 0.000 0.985 440 E CA 1.351 57.703 56.400 -0.079 0.000 0.801 440 E CB -0.254 29.397 29.700 -0.082 0.000 0.750 440 E HN 0.746 nan 8.360 nan 0.000 0.452 441 M N 0.730 120.303 119.600 -0.045 0.000 2.099 441 M HA -0.138 4.341 4.480 -0.001 0.000 0.262 441 M C 2.150 178.453 176.300 0.005 0.000 1.067 441 M CA 1.319 56.591 55.300 -0.046 0.000 1.124 441 M CB 0.054 32.724 32.600 0.117 0.000 1.353 441 M HN 0.072 nan 8.290 nan 0.000 0.410 442 L N 0.037 121.323 121.223 0.105 0.000 2.083 442 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 442 L C 2.596 179.631 176.870 0.275 0.000 1.083 442 L CA 1.659 56.621 54.840 0.205 0.000 0.752 442 L CB -0.547 41.493 42.059 -0.033 0.000 0.899 442 L HN 0.509 nan 8.230 nan 0.000 0.433 443 S N -1.017 114.767 115.700 0.140 0.000 2.528 443 S HA 0.081 4.551 4.470 -0.001 0.000 0.219 443 S C 1.965 176.736 174.600 0.285 0.000 0.985 443 S CA 0.368 58.722 58.200 0.256 0.000 0.914 443 S CB 0.065 63.222 63.200 -0.071 0.000 0.776 443 S HN 0.289 nan 8.310 nan 0.000 0.526 444 A N 0.941 123.755 122.820 -0.011 0.000 2.015 444 A HA 0.108 4.428 4.320 -0.001 0.000 0.219 444 A C 1.699 179.174 177.584 -0.183 0.000 1.163 444 A CA 0.724 52.656 52.037 -0.174 0.000 0.646 444 A CB -1.168 17.578 19.000 -0.424 0.000 0.806 444 A HN 0.752 nan 8.150 nan 0.000 0.448 445 W N -0.573 120.735 121.300 0.012 0.000 2.392 445 W HA -0.040 4.620 4.660 -0.001 0.000 0.279 445 W C 0.953 177.263 176.519 -0.348 0.000 1.225 445 W CA 1.054 58.304 57.345 -0.158 0.000 1.233 445 W CB -0.189 29.128 29.460 -0.238 0.000 1.122 445 W HN 0.396 nan 8.180 nan 0.000 0.561 446 H N -2.312 116.811 119.070 0.088 0.000 2.771 446 H HA 0.363 4.918 4.556 -0.001 0.000 0.367 446 H C -0.382 174.839 175.328 -0.178 0.000 1.172 446 H CA -0.944 54.995 56.048 -0.182 0.000 1.186 446 H CB 1.708 31.107 29.762 -0.605 0.000 1.790 446 H HN -0.432 nan 8.280 nan 0.000 0.556 447 S N 0.837 116.491 115.700 -0.077 0.000 2.537 447 S HA 0.287 4.756 4.470 -0.001 0.000 0.275 447 S C -1.335 173.159 174.600 -0.176 0.000 1.272 447 S CA -0.638 57.542 58.200 -0.033 0.000 1.050 447 S CB 0.176 63.363 63.200 -0.021 0.000 0.961 447 S HN 0.400 nan 8.310 nan 0.000 0.496 448 W N 2.324 123.622 121.300 -0.003 0.000 2.666 448 W HA 0.368 5.028 4.660 -0.001 0.000 0.334 448 W C -0.046 176.429 176.519 -0.074 0.000 1.051 448 W CA -0.819 56.497 57.345 -0.049 0.000 1.224 448 W CB 0.697 30.093 29.460 -0.108 0.000 1.405 448 W HN 0.655 nan 8.180 nan 0.000 0.513 449 D N 0.636 121.117 120.400 0.135 0.000 2.423 449 D HA 0.185 4.825 4.640 -0.001 0.000 0.238 449 D C 1.625 177.926 176.300 0.002 0.000 1.142 449 D CA 0.904 54.945 54.000 0.068 0.000 0.884 449 D CB 1.290 42.158 40.800 0.113 0.000 1.199 449 D HN 0.539 nan 8.370 nan 0.000 0.438 450 G N 2.535 111.343 108.800 0.014 0.000 2.462 450 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 450 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 450 G C 1.341 176.215 174.900 -0.044 0.000 1.121 450 G CA 0.476 45.570 45.100 -0.010 0.000 0.758 450 G HN 0.574 nan 8.290 nan 0.000 0.559 451 M N 0.737 120.324 119.600 -0.022 0.000 2.460 451 M HA 0.056 4.535 4.480 -0.001 0.000 0.263 451 M C 2.778 178.999 176.300 -0.131 0.000 1.071 451 M CA 0.918 56.227 55.300 0.016 0.000 1.096 451 M CB -0.021 32.688 32.600 0.181 0.000 1.408 451 M HN 0.317 nan 8.290 nan 0.000 0.463 452 A N 0.212 122.712 122.820 -0.534 0.000 2.119 452 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 452 A C 1.190 178.561 177.584 -0.354 0.000 1.152 452 A CA 0.397 51.895 52.037 -0.898 0.000 0.708 452 A CB -0.296 17.999 19.000 -1.176 0.000 0.805 452 A HN 0.571 nan 8.150 nan 0.000 0.460 453 R N -1.714 118.657 120.500 -0.215 0.000 3.641 453 R HA -0.177 4.163 4.340 -0.001 0.000 0.286 453 R C 0.647 176.835 176.300 -0.186 0.000 1.153 453 R CA 0.741 56.757 56.100 -0.140 0.000 0.775 453 R CB -2.135 28.117 30.300 -0.080 0.000 1.215 453 R HN 0.471 nan 8.270 nan 0.000 0.474 454 I N 0.471 120.880 120.570 -0.268 0.000 2.233 454 I HA -0.171 3.999 4.170 -0.001 0.000 0.243 454 I C 2.116 178.109 176.117 -0.208 0.000 1.093 454 I CA 1.620 62.715 61.300 -0.341 0.000 1.380 454 I CB -0.647 37.001 38.000 -0.587 0.000 1.067 454 I HN 0.197 nan 8.210 nan 0.000 0.413 455 E N 0.727 120.843 120.200 -0.139 0.000 2.110 455 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 455 E C 2.088 178.641 176.600 -0.079 0.000 0.988 455 E CA 1.156 57.502 56.400 -0.089 0.000 0.804 455 E CB -0.227 29.444 29.700 -0.048 0.000 0.745 455 E HN 0.480 nan 8.360 nan 0.000 0.458 456 E N 0.405 120.559 120.200 -0.075 0.000 2.051 456 E HA -0.239 4.110 4.350 -0.001 0.000 0.192 456 E C 1.886 178.443 176.600 -0.071 0.000 0.991 456 E CA 1.011 57.375 56.400 -0.060 0.000 0.799 456 E CB 0.111 29.780 29.700 -0.050 0.000 0.748 456 E HN -0.033 nan 8.360 nan 0.000 0.449 457 R N 0.297 120.742 120.500 -0.092 0.000 2.092 457 R HA 0.021 4.360 4.340 -0.001 0.000 0.231 457 R C 2.365 178.608 176.300 -0.095 0.000 1.119 457 R CA 0.820 56.866 56.100 -0.090 0.000 0.970 457 R CB -0.465 29.773 30.300 -0.103 0.000 0.864 457 R HN 0.280 nan 8.270 nan 0.000 0.440 458 L N -0.092 121.066 121.223 -0.109 0.000 2.093 458 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 458 L C 2.343 179.152 176.870 -0.101 0.000 1.085 458 L CA 1.413 56.190 54.840 -0.105 0.000 0.755 458 L CB -0.394 41.599 42.059 -0.111 0.000 0.904 458 L HN 0.301 nan 8.230 nan 0.000 0.435 459 E N 0.191 120.335 120.200 -0.093 0.000 2.072 459 E HA -0.293 4.056 4.350 -0.001 0.000 0.191 459 E C 2.202 178.729 176.600 -0.121 0.000 0.985 459 E CA 1.177 57.514 56.400 -0.104 0.000 0.801 459 E CB 0.007 29.667 29.700 -0.067 0.000 0.750 459 E HN 0.430 nan 8.360 nan 0.000 0.452 460 Q N 0.067 119.814 119.800 -0.089 0.000 2.050 460 Q HA -0.210 4.130 4.340 -0.001 0.000 0.202 460 Q C 2.098 178.045 176.000 -0.088 0.000 0.980 460 Q CA 1.660 57.416 55.803 -0.077 0.000 0.840 460 Q CB -0.235 28.470 28.738 -0.054 0.000 0.898 460 Q HN 0.360 nan 8.270 nan 0.000 0.424 461 A N 1.104 123.872 122.820 -0.087 0.000 1.877 461 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 461 A C 2.084 179.606 177.584 -0.104 0.000 1.186 461 A CA 1.485 53.472 52.037 -0.082 0.000 0.620 461 A CB -0.515 18.439 19.000 -0.076 0.000 0.822 461 A HN 0.382 nan 8.150 nan 0.000 0.443 462 R N -0.814 119.605 120.500 -0.135 0.000 2.096 462 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 462 R C 2.428 178.576 176.300 -0.253 0.000 1.127 462 R CA 1.558 57.554 56.100 -0.174 0.000 0.968 462 R CB -0.270 29.915 30.300 -0.190 0.000 0.861 462 R HN 0.489 nan 8.270 nan 0.000 0.440 463 R N 0.267 120.582 120.500 -0.308 0.000 2.090 463 R HA -0.056 4.284 4.340 -0.001 0.000 0.228 463 R C 2.053 178.274 176.300 -0.131 0.000 1.110 463 R CA 0.875 56.715 56.100 -0.434 0.000 0.973 463 R CB 0.051 30.112 30.300 -0.398 0.000 0.869 463 R HN 0.189 nan 8.270 nan 0.000 0.440 464 E N 0.774 120.941 120.200 -0.056 0.000 2.107 464 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 464 E C 1.957 178.590 176.600 0.055 0.000 0.982 464 E CA 0.713 57.130 56.400 0.028 0.000 0.809 464 E CB -0.173 29.536 29.700 0.014 0.000 0.756 464 E HN 0.148 nan 8.360 nan 0.000 0.459 465 L N 1.240 122.465 121.223 0.003 0.000 2.056 465 L HA -0.060 4.280 4.340 -0.001 0.000 0.207 465 L C 2.143 179.057 176.870 0.073 0.000 1.078 465 L CA 1.567 56.428 54.840 0.035 0.000 0.749 465 L CB -0.623 41.422 42.059 -0.024 0.000 0.901 465 L HN -0.107 nan 8.230 nan 0.000 0.433 466 S N -0.317 115.390 115.700 0.011 0.000 2.370 466 S HA -0.197 4.273 4.470 -0.001 0.000 0.226 466 S C 1.863 176.602 174.600 0.232 0.000 1.033 466 S CA 1.635 59.874 58.200 0.066 0.000 1.011 466 S CB -0.608 62.528 63.200 -0.107 0.000 0.852 466 S HN 0.468 nan 8.310 nan 0.000 0.457 467 L N 0.602 122.005 121.223 0.299 0.000 2.042 467 L HA -0.028 4.312 4.340 -0.001 0.000 0.210 467 L C 1.897 178.873 176.870 0.177 0.000 1.076 467 L CA 1.601 56.618 54.840 0.295 0.000 0.749 467 L CB -0.557 41.654 42.059 0.253 0.000 0.893 467 L HN 0.284 nan 8.230 nan 0.000 0.432 468 F N -0.299 119.626 119.950 -0.042 0.000 2.451 468 F HA -0.136 4.391 4.527 -0.001 0.000 0.299 468 F C 2.200 177.920 175.800 -0.133 0.000 1.101 468 F CA 0.862 58.728 58.000 -0.223 0.000 1.436 468 F CB -0.222 38.685 39.000 -0.155 0.000 1.074 468 F HN 0.244 nan 8.300 nan 0.000 0.553 469 Q N -0.322 119.438 119.800 -0.067 0.000 2.437 469 Q HA -0.160 4.180 4.340 -0.001 0.000 0.210 469 Q C 0.786 176.722 176.000 -0.107 0.000 0.972 469 Q CA 0.492 56.233 55.803 -0.102 0.000 0.903 469 Q CB -1.271 27.477 28.738 0.017 0.000 0.967 469 Q HN 0.565 nan 8.270 nan 0.000 0.486 470 H N 1.927 120.878 119.070 -0.198 0.000 3.073 470 H HA -0.107 4.449 4.556 -0.001 0.000 0.340 470 H C 1.056 176.214 175.328 -0.283 0.000 1.054 470 H CA 0.449 56.370 56.048 -0.212 0.000 1.372 470 H CB 0.672 30.326 29.762 -0.181 0.000 1.314 470 H HN 0.339 nan 8.280 nan 0.000 0.603 471 H N 2.910 121.563 119.070 -0.696 0.000 2.562 471 H HA -0.025 4.531 4.556 -0.001 0.000 0.272 471 H C -0.293 174.584 175.328 -0.753 0.000 1.019 471 H CA 0.400 55.996 56.048 -0.753 0.000 1.160 471 H CB 0.239 29.557 29.762 -0.740 0.000 1.334 471 H HN 0.586 nan 8.280 nan 0.000 0.611 472 D N 0.291 119.983 120.400 -1.179 0.000 2.513 472 D HA 0.132 4.771 4.640 -0.001 0.000 0.222 472 D C 1.573 177.838 176.300 -0.059 0.000 1.210 472 D CA 0.285 54.110 54.000 -0.291 0.000 0.825 472 D CB 0.883 41.717 40.800 0.056 0.000 1.037 472 D HN 0.528 nan 8.370 nan 0.000 0.506 473 G N 1.222 109.786 108.800 -0.394 0.000 2.600 473 G HA2 0.003 3.962 3.960 -0.001 0.000 0.225 473 G HA3 0.003 3.962 3.960 -0.001 0.000 0.225 473 G C 1.337 175.656 174.900 -0.968 0.000 1.623 473 G CA -0.195 44.429 45.100 -0.792 0.000 0.903 473 G HN 0.196 nan 8.290 nan 0.000 0.574 474 I N 2.016 121.733 120.570 -1.422 0.000 2.423 474 I HA -0.173 3.997 4.170 -0.001 0.000 0.254 474 I C 2.890 178.906 176.117 -0.168 0.000 1.151 474 I CA 2.057 62.820 61.300 -0.895 0.000 1.421 474 I CB -0.043 37.607 38.000 -0.584 0.000 1.079 474 I HN 0.376 nan 8.210 nan 0.000 0.431 475 T N -1.620 112.886 114.554 -0.080 0.000 3.007 475 T HA 0.006 4.355 4.350 -0.001 0.000 0.270 475 T C 1.558 176.398 174.700 0.234 0.000 1.107 475 T CA 0.656 62.897 62.100 0.234 0.000 1.118 475 T CB -0.582 68.426 68.868 0.233 0.000 0.889 475 T HN 0.641 nan 8.240 nan 0.000 0.506 476 G N 1.434 110.329 108.800 0.159 0.000 2.176 476 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.252 476 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.252 476 G C 0.548 175.518 174.900 0.116 0.000 1.024 476 G CA 0.656 45.872 45.100 0.193 0.000 0.755 476 G HN 1.162 nan 8.290 nan 0.000 0.507 477 T N -3.409 111.204 114.554 0.098 0.000 3.215 477 T HA 0.741 5.091 4.350 -0.001 0.000 0.271 477 T C 0.842 175.734 174.700 0.319 0.000 1.012 477 T CA 1.017 63.107 62.100 -0.017 0.000 0.899 477 T CB 0.982 69.661 68.868 -0.315 0.000 1.089 477 T HN 1.564 nan 8.240 nan 0.000 0.552 478 A N 1.253 124.286 122.820 0.356 0.000 2.269 478 A HA 0.693 5.013 4.320 -0.001 0.000 0.327 478 A C 0.194 177.911 177.584 0.222 0.000 1.112 478 A CA -0.959 51.344 52.037 0.442 0.000 0.865 478 A CB 0.913 20.200 19.000 0.479 0.000 1.227 478 A HN 0.354 nan 8.150 nan 0.000 0.498 479 K N -0.107 120.365 120.400 0.119 0.000 2.276 479 K HA 0.125 4.445 4.320 -0.001 0.000 0.259 479 K C 1.081 177.711 176.600 0.049 0.000 1.001 479 K CA 0.342 56.666 56.287 0.062 0.000 0.927 479 K CB 0.399 32.930 32.500 0.051 0.000 0.969 479 K HN 0.748 nan 8.250 nan 0.000 0.490 480 T N 1.426 116.034 114.554 0.089 0.000 2.653 480 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 480 T C 1.655 176.398 174.700 0.073 0.000 1.035 480 T CA 1.860 64.010 62.100 0.084 0.000 1.154 480 T CB -0.408 68.516 68.868 0.093 0.000 0.862 480 T HN 0.678 nan 8.240 nan 0.000 0.441 481 H N 0.484 119.558 119.070 0.007 0.000 2.495 481 H HA 0.112 4.668 4.556 -0.001 0.000 0.287 481 H C 2.006 177.317 175.328 -0.028 0.000 1.033 481 H CA 0.797 56.840 56.048 -0.007 0.000 1.307 481 H CB -0.736 29.017 29.762 -0.016 0.000 1.401 481 H HN 0.276 nan 8.280 nan 0.000 0.555 482 V N 1.115 120.684 119.914 -0.574 0.000 2.488 482 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 482 V C 3.000 178.922 176.094 -0.286 0.000 1.046 482 V CA 1.048 63.048 62.300 -0.500 0.000 1.053 482 V CB -0.400 31.190 31.823 -0.389 0.000 0.679 482 V HN 0.230 nan 8.190 nan 0.000 0.458 483 V N 0.007 119.885 119.914 -0.061 0.000 2.332 483 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 483 V C 2.454 178.529 176.094 -0.032 0.000 1.055 483 V CA 1.968 64.285 62.300 0.028 0.000 1.038 483 V CB -0.487 31.313 31.823 -0.039 0.000 0.651 483 V HN 0.418 nan 8.190 nan 0.000 0.450 484 V N 0.327 120.231 119.914 -0.018 0.000 2.407 484 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 484 V C 2.291 178.403 176.094 0.030 0.000 1.055 484 V CA 2.387 64.709 62.300 0.036 0.000 1.049 484 V CB -0.658 31.197 31.823 0.053 0.000 0.662 484 V HN 0.651 nan 8.190 nan 0.000 0.455 485 D N -0.907 119.467 120.400 -0.044 0.000 2.097 485 D HA -0.208 4.431 4.640 -0.001 0.000 0.195 485 D C 2.004 178.313 176.300 0.015 0.000 0.989 485 D CA 1.671 55.640 54.000 -0.051 0.000 0.827 485 D CB -0.251 40.459 40.800 -0.151 0.000 0.966 485 D HN 0.592 nan 8.370 nan 0.000 0.456 486 Y N 0.424 120.766 120.300 0.070 0.000 2.181 486 Y HA -0.138 4.412 4.550 -0.001 0.000 0.288 486 Y C 2.569 178.448 175.900 -0.035 0.000 1.146 486 Y CA 1.141 59.277 58.100 0.060 0.000 1.164 486 Y CB -0.144 38.423 38.460 0.177 0.000 0.982 486 Y HN 0.087 nan 8.280 nan 0.000 0.515 487 E N 0.478 120.782 120.200 0.172 0.000 2.077 487 E HA -0.262 4.088 4.350 -0.001 0.000 0.193 487 E C 2.017 178.702 176.600 0.142 0.000 0.989 487 E CA 1.366 57.887 56.400 0.201 0.000 0.800 487 E CB -0.050 29.852 29.700 0.336 0.000 0.746 487 E HN 0.564 nan 8.360 nan 0.000 0.452 488 Q N -0.102 119.767 119.800 0.114 0.000 2.084 488 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 488 Q C 2.334 178.375 176.000 0.068 0.000 0.978 488 Q CA 1.260 57.114 55.803 0.085 0.000 0.844 488 Q CB -0.067 28.711 28.738 0.066 0.000 0.898 488 Q HN 0.196 nan 8.270 nan 0.000 0.426 489 R N 0.113 120.658 120.500 0.074 0.000 2.081 489 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 489 R C 2.275 178.596 176.300 0.035 0.000 1.131 489 R CA 1.464 57.600 56.100 0.061 0.000 0.960 489 R CB -0.165 30.195 30.300 0.100 0.000 0.856 489 R HN 0.290 nan 8.270 nan 0.000 0.436 490 M N -0.058 119.554 119.600 0.020 0.000 2.229 490 M HA -0.169 4.311 4.480 -0.001 0.000 0.264 490 M C 2.290 178.591 176.300 0.001 0.000 1.063 490 M CA 1.342 56.624 55.300 -0.030 0.000 1.114 490 M CB -0.119 32.407 32.600 -0.124 0.000 1.387 490 M HN 0.044 nan 8.290 nan 0.000 0.420 491 Q N 0.903 120.733 119.800 0.049 0.000 2.084 491 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 491 Q C 1.738 177.753 176.000 0.026 0.000 0.978 491 Q CA 1.593 57.436 55.803 0.067 0.000 0.844 491 Q CB -0.058 28.737 28.738 0.094 0.000 0.898 491 Q HN 0.323 nan 8.270 nan 0.000 0.426 492 E N -0.150 120.061 120.200 0.018 0.000 2.077 492 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 492 E C 1.830 178.418 176.600 -0.019 0.000 0.989 492 E CA 1.166 57.566 56.400 -0.000 0.000 0.800 492 E CB -0.476 29.226 29.700 0.004 0.000 0.746 492 E HN 0.458 nan 8.360 nan 0.000 0.452 493 A N 1.165 123.972 122.820 -0.021 0.000 1.902 493 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 493 A C 2.408 179.961 177.584 -0.052 0.000 1.181 493 A CA 1.083 53.096 52.037 -0.039 0.000 0.623 493 A CB -0.733 18.244 19.000 -0.040 0.000 0.818 493 A HN 0.188 nan 8.150 nan 0.000 0.443 494 L N -0.679 120.513 121.223 -0.051 0.000 2.042 494 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 494 L C 2.599 179.395 176.870 -0.124 0.000 1.076 494 L CA 1.821 56.606 54.840 -0.092 0.000 0.749 494 L CB -0.412 41.610 42.059 -0.062 0.000 0.893 494 L HN 0.365 nan 8.230 nan 0.000 0.432 495 K N -0.196 120.158 120.400 -0.077 0.000 2.097 495 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 495 K C 2.232 178.787 176.600 -0.075 0.000 1.050 495 K CA 1.242 57.483 56.287 -0.076 0.000 0.938 495 K CB -0.230 32.242 32.500 -0.046 0.000 0.718 495 K HN 0.292 nan 8.250 nan 0.000 0.442 496 A N 1.102 123.882 122.820 -0.067 0.000 1.902 496 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 496 A C 2.419 179.957 177.584 -0.077 0.000 1.181 496 A CA 1.454 53.451 52.037 -0.068 0.000 0.623 496 A CB -0.967 17.995 19.000 -0.064 0.000 0.818 496 A HN 0.400 nan 8.150 nan 0.000 0.443 497 C N -0.957 118.294 119.300 -0.082 0.000 2.429 497 C HA -0.124 4.336 4.460 -0.001 0.000 0.277 497 C C 2.864 177.810 174.990 -0.073 0.000 1.262 497 C CA 1.257 60.233 59.018 -0.071 0.000 1.733 497 C CB -1.291 26.422 27.740 -0.046 0.000 2.010 497 C HN 0.791 nan 8.230 nan 0.000 0.483 498 Q N 0.285 120.009 119.800 -0.128 0.000 2.061 498 Q HA -0.279 4.061 4.340 -0.001 0.000 0.204 498 Q C 2.177 178.182 176.000 0.008 0.000 0.984 498 Q CA 2.018 57.767 55.803 -0.091 0.000 0.846 498 Q CB -0.281 28.371 28.738 -0.143 0.000 0.902 498 Q HN 0.577 nan 8.270 nan 0.000 0.421 499 M N -0.065 119.522 119.600 -0.023 0.000 2.080 499 M HA -0.146 4.334 4.480 -0.001 0.000 0.260 499 M C 1.867 178.164 176.300 -0.004 0.000 1.068 499 M CA 1.585 56.884 55.300 -0.003 0.000 1.109 499 M CB -0.500 32.081 32.600 -0.031 0.000 1.342 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.156 120.032 119.914 -0.063 0.000 2.307 500 V HA -0.301 3.818 4.120 -0.001 0.000 0.245 500 V C 2.424 178.480 176.094 -0.063 0.000 1.045 500 V CA 2.201 64.417 62.300 -0.140 0.000 1.024 500 V CB -0.688 31.031 31.823 -0.173 0.000 0.651 500 V HN 0.556 nan 8.190 nan 0.000 0.449 501 M N 0.268 119.888 119.600 0.034 0.000 2.080 501 M HA -0.262 4.217 4.480 -0.001 0.000 0.260 501 M C 2.374 178.739 176.300 0.107 0.000 1.068 501 M CA 2.427 57.799 55.300 0.120 0.000 1.109 501 M CB -0.489 32.303 32.600 0.320 0.000 1.342 501 M HN 0.542 nan 8.290 nan 0.000 0.405 502 Q N -0.228 119.708 119.800 0.226 0.000 2.172 502 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 502 Q C 1.801 177.993 176.000 0.320 0.000 0.964 502 Q CA 1.154 57.116 55.803 0.266 0.000 0.855 502 Q CB -0.618 28.375 28.738 0.425 0.000 0.918 502 Q HN 0.414 nan 8.270 nan 0.000 0.444 503 Q N 0.517 120.488 119.800 0.285 0.000 2.124 503 Q HA -0.048 4.291 4.340 -0.001 0.000 0.202 503 Q C 2.229 178.480 176.000 0.417 0.000 0.977 503 Q CA 1.681 57.730 55.803 0.412 0.000 0.850 503 Q CB -0.166 28.719 28.738 0.244 0.000 0.901 503 Q HN 0.512 nan 8.270 nan 0.000 0.429 504 S N 0.312 116.149 115.700 0.228 0.000 2.368 504 S HA -0.077 4.393 4.470 -0.001 0.000 0.224 504 S C 2.208 176.859 174.600 0.086 0.000 1.029 504 S CA 0.927 59.314 58.200 0.311 0.000 0.988 504 S CB -0.180 63.136 63.200 0.194 0.000 0.838 504 S HN 0.124 nan 8.310 nan 0.000 0.462 505 V N 1.091 120.931 119.914 -0.124 0.000 2.332 505 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 505 V C 2.055 178.144 176.094 -0.009 0.000 1.055 505 V CA 1.894 64.004 62.300 -0.318 0.000 1.038 505 V CB -0.788 30.445 31.823 -0.982 0.000 0.651 505 V HN 0.584 nan 8.190 nan 0.000 0.450 506 Y N 1.397 121.761 120.300 0.107 0.000 2.181 506 Y HA -0.226 4.323 4.550 -0.001 0.000 0.288 506 Y C 2.686 178.662 175.900 0.126 0.000 1.146 506 Y CA 2.112 60.354 58.100 0.237 0.000 1.164 506 Y CB -0.426 38.086 38.460 0.086 0.000 0.982 506 Y HN 0.110 nan 8.280 nan 0.000 0.515 507 R N -0.121 120.208 120.500 -0.285 0.000 2.090 507 R HA -0.074 4.266 4.340 -0.001 0.000 0.228 507 R C 2.147 178.115 176.300 -0.552 0.000 1.110 507 R CA 1.465 57.064 56.100 -0.835 0.000 0.973 507 R CB -0.329 29.500 30.300 -0.785 0.000 0.869 507 R HN 0.456 nan 8.270 nan 0.000 0.440 508 L N 0.270 121.327 121.223 -0.276 0.000 2.291 508 L HA -0.055 4.285 4.340 -0.001 0.000 0.214 508 L C 1.395 178.152 176.870 -0.187 0.000 1.120 508 L CA 0.770 55.419 54.840 -0.319 0.000 0.799 508 L CB 0.135 41.838 42.059 -0.594 0.000 0.925 508 L HN 0.228 nan 8.230 nan 0.000 0.446 509 L N -1.308 119.908 121.223 -0.012 0.000 3.014 509 L HA 0.224 4.563 4.340 -0.001 0.000 0.263 509 L C -0.197 176.785 176.870 0.186 0.000 1.207 509 L CA -0.100 54.834 54.840 0.156 0.000 1.017 509 L CB 0.481 42.779 42.059 0.398 0.000 1.360 509 L HN -0.006 nan 8.230 nan 0.000 0.560 510 T N 0.123 114.705 114.554 0.047 0.000 2.829 510 T HA 0.187 4.537 4.350 -0.001 0.000 0.280 510 T C -0.150 174.513 174.700 -0.063 0.000 0.999 510 T CA -0.572 61.565 62.100 0.063 0.000 0.983 510 T CB 2.423 71.360 68.868 0.116 0.000 0.968 510 T HN 0.022 nan 8.240 nan 0.000 0.446 511 K N 3.780 124.156 120.400 -0.041 0.000 2.504 511 K HA -0.018 4.302 4.320 -0.001 0.000 0.278 511 K C -1.704 174.881 176.600 -0.026 0.000 1.025 511 K CA -0.998 55.263 56.287 -0.043 0.000 1.093 511 K CB 0.426 32.906 32.500 -0.035 0.000 0.873 511 K HN 0.166 nan 8.250 nan 0.000 0.483 512 P HA -0.197 nan 4.420 nan 0.000 0.216 512 P C 0.760 178.079 177.300 0.032 0.000 1.150 512 P CA 1.495 64.575 63.100 -0.033 0.000 0.843 512 P CB 0.134 31.805 31.700 -0.048 0.000 0.787 513 S N -2.270 113.442 115.700 0.019 0.000 2.607 513 S HA 0.067 4.537 4.470 -0.001 0.000 0.224 513 S C 1.649 176.272 174.600 0.038 0.000 0.969 513 S CA 0.442 58.657 58.200 0.026 0.000 0.927 513 S CB -1.079 62.127 63.200 0.010 0.000 0.772 513 S HN 0.106 nan 8.310 nan 0.000 0.533 514 I N -0.811 119.794 120.570 0.059 0.000 3.616 514 I HA 0.209 4.378 4.170 -0.001 0.000 0.296 514 I C 0.559 176.753 176.117 0.128 0.000 1.226 514 I CA -0.394 60.952 61.300 0.077 0.000 1.394 514 I CB -0.042 38.002 38.000 0.075 0.000 1.171 514 I HN 0.266 nan 8.210 nan 0.000 0.442 515 Y N 2.867 123.151 120.300 -0.027 0.000 2.802 515 Y HA -0.044 4.506 4.550 -0.001 0.000 0.333 515 Y C 0.419 176.320 175.900 0.001 0.000 1.244 515 Y CA 0.092 58.148 58.100 -0.073 0.000 1.558 515 Y CB 0.407 38.723 38.460 -0.240 0.000 1.233 515 Y HN -0.115 nan 8.280 nan 0.000 0.547 516 S N 8.891 124.423 115.700 -0.280 0.000 2.293 516 S HA 0.348 4.817 4.470 -0.001 0.000 0.154 516 S C -2.884 171.530 174.600 -0.311 0.000 1.602 516 S CA -1.225 56.792 58.200 -0.304 0.000 1.260 516 S CB 0.003 63.140 63.200 -0.105 0.000 1.270 516 S HN 0.653 nan 8.310 nan 0.000 0.416 517 P HA 0.307 nan 4.420 nan 0.000 0.276 517 P C -1.142 175.906 177.300 -0.420 0.000 1.230 517 P CA -0.139 62.739 63.100 -0.371 0.000 0.776 517 P CB 0.854 32.259 31.700 -0.491 0.000 0.888 518 D N 2.477 122.818 120.400 -0.098 0.000 2.414 518 D HA 0.153 4.793 4.640 -0.001 0.000 0.232 518 D C 0.298 176.625 176.300 0.045 0.000 1.070 518 D CA -0.727 53.194 54.000 -0.132 0.000 0.839 518 D CB 0.261 41.015 40.800 -0.076 0.000 1.079 518 D HN 0.045 nan 8.370 nan 0.000 0.521 519 F N 1.699 121.765 119.950 0.193 0.000 2.641 519 F HA -0.054 4.472 4.527 -0.001 0.000 0.298 519 F C 2.371 178.246 175.800 0.124 0.000 1.146 519 F CA 0.606 58.718 58.000 0.187 0.000 1.464 519 F CB -0.432 38.657 39.000 0.148 0.000 1.101 519 F HN 0.372 nan 8.300 nan 0.000 0.585 520 S N -1.941 113.900 115.700 0.235 0.000 2.539 520 S HA 0.132 4.601 4.470 -0.001 0.000 0.221 520 S C 0.291 174.931 174.600 0.065 0.000 0.987 520 S CA -0.434 57.843 58.200 0.129 0.000 0.929 520 S CB -0.647 62.606 63.200 0.089 0.000 0.832 520 S HN 0.094 nan 8.310 nan 0.000 0.492 521 F N 2.920 122.803 119.950 -0.112 0.000 2.375 521 F HA 0.591 5.118 4.527 -0.001 0.000 0.333 521 F C -0.025 175.551 175.800 -0.373 0.000 1.104 521 F CA -0.626 57.178 58.000 -0.326 0.000 1.149 521 F CB 1.520 40.170 39.000 -0.582 0.000 1.190 521 F HN -0.051 nan 8.300 nan 0.000 0.533 522 S N 5.866 120.805 115.700 -1.269 0.000 2.464 522 S HA 0.160 4.630 4.470 -0.001 0.000 0.313 522 S C 0.360 174.344 174.600 -1.028 0.000 1.078 522 S CA -0.345 57.363 58.200 -0.821 0.000 1.096 522 S CB -0.180 62.666 63.200 -0.591 0.000 1.032 522 S HN 0.676 nan 8.310 nan 0.000 0.498 523 Y N 1.608 121.683 120.300 -0.375 0.000 2.314 523 Y HA 0.132 4.681 4.550 -0.001 0.000 0.293 523 Y C 0.335 175.703 175.900 -0.886 0.000 1.129 523 Y CA 0.774 58.542 58.100 -0.553 0.000 1.201 523 Y CB 0.150 38.361 38.460 -0.415 0.000 0.999 523 Y HN 0.491 nan 8.280 nan 0.000 0.541 524 F N -1.355 118.553 119.950 -0.071 0.000 2.599 524 F HA 0.430 4.957 4.527 -0.001 0.000 0.311 524 F C -0.116 175.709 175.800 0.040 0.000 1.076 524 F CA -1.511 56.508 58.000 0.032 0.000 0.937 524 F CB 1.650 40.812 39.000 0.269 0.000 1.282 524 F HN -0.408 nan 8.300 nan 0.000 0.460 525 T N 0.336 115.041 114.554 0.252 0.000 2.855 525 T HA 0.709 5.058 4.350 -0.001 0.000 0.281 525 T C -0.605 174.192 174.700 0.162 0.000 1.007 525 T CA -0.795 61.386 62.100 0.135 0.000 1.009 525 T CB 1.146 70.036 68.868 0.036 0.000 0.983 525 T HN 0.527 nan 8.240 nan 0.000 0.455 526 L N 2.072 123.306 121.223 0.018 0.000 2.439 526 L HA 0.423 4.762 4.340 -0.001 0.000 0.269 526 L C 0.098 176.936 176.870 -0.052 0.000 1.179 526 L CA -0.271 54.486 54.840 -0.138 0.000 0.828 526 L CB 0.720 42.623 42.059 -0.261 0.000 1.106 526 L HN 0.818 nan 8.230 nan 0.000 0.467 527 D N 1.368 121.736 120.400 -0.053 0.000 2.481 527 D HA 0.211 4.850 4.640 -0.001 0.000 0.246 527 D C -1.286 174.954 176.300 -0.099 0.000 1.109 527 D CA -0.395 53.575 54.000 -0.050 0.000 0.845 527 D CB 1.129 41.933 40.800 0.006 0.000 1.160 527 D HN 0.278 nan 8.370 nan 0.000 0.534 528 D N 2.382 122.740 120.400 -0.070 0.000 2.481 528 D HA 0.196 4.836 4.640 -0.001 0.000 0.246 528 D C 0.093 176.341 176.300 -0.086 0.000 1.109 528 D CA -0.465 53.523 54.000 -0.019 0.000 0.845 528 D CB 1.879 42.774 40.800 0.157 0.000 1.160 528 D HN 0.246 nan 8.370 nan 0.000 0.534 529 S N 2.713 118.331 115.700 -0.137 0.000 2.522 529 S HA 0.028 4.497 4.470 -0.001 0.000 0.227 529 S C 1.338 175.893 174.600 -0.074 0.000 0.986 529 S CA 0.507 58.615 58.200 -0.154 0.000 0.929 529 S CB 0.364 63.461 63.200 -0.173 0.000 0.769 529 S HN 0.492 nan 8.310 nan 0.000 0.529 530 R N -0.483 120.007 120.500 -0.018 0.000 2.535 530 R HA 0.221 4.561 4.340 -0.001 0.000 0.323 530 R C -0.738 175.636 176.300 0.124 0.000 0.979 530 R CA -0.107 56.007 56.100 0.024 0.000 1.120 530 R CB 0.784 31.090 30.300 0.009 0.000 1.306 530 R HN 0.340 nan 8.270 nan 0.000 0.540 531 W N 1.290 122.556 121.300 -0.057 0.000 3.405 531 W HA 0.288 4.948 4.660 -0.001 0.000 0.329 531 W C -2.956 173.548 176.519 -0.024 0.000 1.142 531 W CA -1.900 55.415 57.345 -0.050 0.000 1.235 531 W CB 1.786 31.225 29.460 -0.034 0.000 1.341 531 W HN -0.191 nan 8.180 nan 0.000 0.481 532 P HA 0.103 nan 4.420 nan 0.000 0.226 532 P C 0.373 177.305 177.300 -0.614 0.000 1.153 532 P CA 1.764 63.979 63.100 -1.474 0.000 0.777 532 P CB 0.308 31.408 31.700 -1.000 0.000 0.794 533 G N -1.048 107.567 108.800 -0.307 0.000 2.650 533 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.686 533 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.686 533 G C -0.429 174.422 174.900 -0.082 0.000 1.205 533 G CA -0.539 44.477 45.100 -0.140 0.000 0.781 533 G HN 0.068 nan 8.290 nan 0.000 0.648 534 S N 0.261 115.956 115.700 -0.008 0.000 2.544 534 S HA 0.500 4.969 4.470 -0.001 0.000 0.290 534 S C 1.840 176.469 174.600 0.048 0.000 1.276 534 S CA 2.096 60.331 58.200 0.059 0.000 1.075 534 S CB 0.047 63.318 63.200 0.118 0.000 0.849 534 S HN 2.683 nan 8.310 nan 0.000 0.494 535 G N 2.873 111.706 108.800 0.054 0.000 2.199 535 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.254 535 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.254 535 G C 0.590 175.486 174.900 -0.006 0.000 0.982 535 G CA 0.323 45.454 45.100 0.053 0.000 0.632 535 G HN 0.829 nan 8.290 nan 0.000 0.529 536 V N -0.739 119.145 119.914 -0.049 0.000 2.743 536 V HA 0.397 4.517 4.120 -0.001 0.000 0.237 536 V C 0.760 176.795 176.094 -0.099 0.000 1.113 536 V CA 1.500 63.746 62.300 -0.089 0.000 1.141 536 V CB 0.572 32.307 31.823 -0.147 0.000 0.873 536 V HN 0.309 nan 8.190 nan 0.000 0.486 537 E N 0.093 120.226 120.200 -0.112 0.000 2.343 537 E HA 0.330 4.679 4.350 -0.001 0.000 0.278 537 E C -1.644 174.923 176.600 -0.055 0.000 0.910 537 E CA -0.466 55.879 56.400 -0.092 0.000 0.757 537 E CB 2.098 31.719 29.700 -0.131 0.000 1.218 537 E HN 0.084 nan 8.360 nan 0.000 0.435 538 D N 1.414 121.799 120.400 -0.025 0.000 2.441 538 D HA 0.133 4.773 4.640 -0.001 0.000 0.221 538 D C 0.523 176.823 176.300 0.001 0.000 1.156 538 D CA 0.156 54.163 54.000 0.011 0.000 0.896 538 D CB 0.604 41.414 40.800 0.017 0.000 1.028 538 D HN 0.364 nan 8.370 nan 0.000 0.509 539 S N 2.340 118.034 115.700 -0.009 0.000 2.549 539 S HA 0.174 4.644 4.470 -0.001 0.000 0.225 539 S C 0.887 175.482 174.600 -0.007 0.000 1.039 539 S CA -0.426 57.762 58.200 -0.021 0.000 0.942 539 S CB 0.757 63.925 63.200 -0.054 0.000 0.881 539 S HN 0.215 nan 8.310 nan 0.000 0.503 540 R N 2.866 123.368 120.500 0.003 0.000 2.441 540 R HA 0.417 4.756 4.340 -0.001 0.000 0.284 540 R C 0.090 176.433 176.300 0.072 0.000 1.070 540 R CA 0.216 56.307 56.100 -0.015 0.000 1.047 540 R CB 0.699 30.893 30.300 -0.177 0.000 1.016 540 R HN 0.466 nan 8.270 nan 0.000 0.477 541 T N -0.814 113.780 114.554 0.067 0.000 2.909 541 T HA 0.203 4.552 4.350 -0.001 0.000 0.289 541 T C 0.261 175.071 174.700 0.183 0.000 1.005 541 T CA -0.726 61.437 62.100 0.106 0.000 1.084 541 T CB 1.442 70.358 68.868 0.079 0.000 0.975 541 T HN 0.344 nan 8.240 nan 0.000 0.509 542 T N 3.550 118.217 114.554 0.188 0.000 2.806 542 T HA 0.388 4.738 4.350 -0.001 0.000 0.290 542 T C 0.475 175.282 174.700 0.179 0.000 0.966 542 T CA -0.528 61.707 62.100 0.224 0.000 1.060 542 T CB 0.221 69.178 68.868 0.148 0.000 0.927 542 T HN 0.574 nan 8.240 nan 0.000 0.485 543 I N 4.087 124.783 120.570 0.211 0.000 2.421 543 I HA 0.191 4.360 4.170 -0.001 0.000 0.291 543 I C 0.207 176.412 176.117 0.147 0.000 1.089 543 I CA -0.026 61.376 61.300 0.171 0.000 1.354 543 I CB 0.195 38.301 38.000 0.178 0.000 1.413 543 I HN 0.444 nan 8.210 nan 0.000 0.513 544 I N 8.098 128.739 120.570 0.118 0.000 2.297 544 I HA 0.311 4.481 4.170 -0.001 0.000 0.291 544 I C -0.133 176.045 176.117 0.102 0.000 1.033 544 I CA -0.195 61.166 61.300 0.101 0.000 1.253 544 I CB 0.461 38.507 38.000 0.077 0.000 1.396 544 I HN 0.395 nan 8.210 nan 0.000 0.476 545 L N 5.711 126.998 121.223 0.108 0.000 2.319 545 L HA 0.955 5.294 4.340 -0.001 0.000 0.267 545 L C 0.146 177.074 176.870 0.096 0.000 1.011 545 L CA -0.701 54.202 54.840 0.105 0.000 0.818 545 L CB 2.213 44.342 42.059 0.116 0.000 1.316 545 L HN 0.692 nan 8.230 nan 0.000 0.432 546 G N -0.102 108.750 108.800 0.088 0.000 2.473 546 G HA2 0.097 4.056 3.960 -0.001 0.000 0.298 546 G HA3 0.097 4.056 3.960 -0.001 0.000 0.298 546 G C -0.214 174.727 174.900 0.069 0.000 1.575 546 G CA -0.457 44.690 45.100 0.080 0.000 0.846 546 G HN 0.688 nan 8.290 nan 0.000 0.585 547 E N -0.091 120.148 120.200 0.064 0.000 2.160 547 E HA -0.145 4.205 4.350 -0.001 0.000 0.195 547 E C 0.666 177.293 176.600 0.045 0.000 0.991 547 E CA 1.379 57.810 56.400 0.052 0.000 0.810 547 E CB 0.145 29.872 29.700 0.045 0.000 0.742 547 E HN 0.449 nan 8.360 nan 0.000 0.466 548 D N -0.388 120.039 120.400 0.044 0.000 2.358 548 D HA 0.074 4.714 4.640 -0.001 0.000 0.224 548 D C 1.009 177.333 176.300 0.040 0.000 1.123 548 D CA 0.138 54.160 54.000 0.038 0.000 0.833 548 D CB 0.880 41.700 40.800 0.034 0.000 0.946 548 D HN 0.269 nan 8.370 nan 0.000 0.505 549 I N -0.926 119.673 120.570 0.048 0.000 4.420 549 I HA 0.176 4.346 4.170 -0.001 0.000 0.292 549 I C -1.487 174.665 176.117 0.059 0.000 1.153 549 I CA 0.125 61.455 61.300 0.050 0.000 1.315 549 I CB 1.232 39.262 38.000 0.050 0.000 1.616 549 I HN -0.151 nan 8.210 nan 0.000 0.450 550 L N 1.983 123.247 121.223 0.068 0.000 2.795 550 L HA 0.512 4.852 4.340 -0.001 0.000 0.260 550 L C -2.530 174.392 176.870 0.087 0.000 0.935 550 L CA -0.752 54.137 54.840 0.081 0.000 0.985 550 L CB 1.732 43.845 42.059 0.091 0.000 1.433 550 L HN -0.121 nan 8.230 nan 0.000 0.447 551 P HA 0.090 nan 4.420 nan 0.000 0.227 551 P C -0.188 177.169 177.300 0.095 0.000 1.161 551 P CA 0.728 63.878 63.100 0.084 0.000 0.788 551 P CB 0.466 32.209 31.700 0.070 0.000 0.822 552 S N -1.904 113.865 115.700 0.115 0.000 2.596 552 S HA 0.721 5.190 4.470 -0.001 0.000 0.270 552 S C -1.287 173.423 174.600 0.183 0.000 1.155 552 S CA -0.714 57.564 58.200 0.130 0.000 0.827 552 S CB 2.512 65.783 63.200 0.118 0.000 1.130 552 S HN -0.138 nan 8.310 nan 0.000 0.467 553 K N 0.688 121.205 120.400 0.195 0.000 2.513 553 K HA 0.415 4.735 4.320 -0.001 0.000 0.251 553 K C -1.630 175.154 176.600 0.308 0.000 0.939 553 K CA -0.284 56.164 56.287 0.268 0.000 0.793 553 K CB 1.089 33.702 32.500 0.189 0.000 1.241 553 K HN 0.874 nan 8.250 nan 0.000 0.431 554 H N 2.178 121.401 119.070 0.255 0.000 2.610 554 H HA 0.405 4.960 4.556 -0.001 0.000 0.336 554 H C -0.094 175.472 175.328 0.398 0.000 1.087 554 H CA -0.483 55.765 56.048 0.333 0.000 1.405 554 H CB 1.239 31.286 29.762 0.475 0.000 1.460 554 H HN 0.448 nan 8.280 nan 0.000 0.538 555 V N 1.003 121.177 119.914 0.433 0.000 2.914 555 V HA 0.655 4.774 4.120 -0.001 0.000 0.314 555 V C -0.489 175.943 176.094 0.563 0.000 1.084 555 V CA -0.814 61.736 62.300 0.417 0.000 0.963 555 V CB 1.979 33.794 31.823 -0.013 0.000 1.025 555 V HN 0.413 nan 8.190 nan 0.000 0.432 556 V N 3.874 124.144 119.914 0.593 0.000 2.709 556 V HA 0.639 4.758 4.120 -0.001 0.000 0.308 556 V C -0.484 175.971 176.094 0.601 0.000 1.062 556 V CA -0.385 62.228 62.300 0.521 0.000 0.901 556 V CB 1.896 33.872 31.823 0.254 0.000 1.003 556 V HN 0.945 nan 8.190 nan 0.000 0.425 557 M N 4.016 123.942 119.600 0.543 0.000 2.404 557 M HA 0.496 4.976 4.480 -0.001 0.000 0.338 557 M C -0.515 176.068 176.300 0.471 0.000 1.150 557 M CA -0.271 55.325 55.300 0.495 0.000 1.016 557 M CB 1.223 34.055 32.600 0.387 0.000 1.672 557 M HN 0.761 nan 8.290 nan 0.000 0.448 558 H N 1.915 121.218 119.070 0.389 0.000 2.492 558 H HA 0.499 5.055 4.556 -0.001 0.000 0.345 558 H C -1.361 174.105 175.328 0.231 0.000 1.136 558 H CA -0.599 55.641 56.048 0.319 0.000 1.202 558 H CB 1.228 31.250 29.762 0.433 0.000 1.524 558 H HN 0.654 nan 8.280 nan 0.000 0.506 559 N N 2.988 121.467 118.700 -0.368 0.000 2.524 559 N HA 0.041 4.780 4.740 -0.001 0.000 0.261 559 N C 0.277 175.455 175.510 -0.553 0.000 0.998 559 N CA -0.315 52.523 53.050 -0.353 0.000 0.915 559 N CB 1.649 40.033 38.487 -0.171 0.000 1.187 559 N HN 0.636 nan 8.380 nan 0.000 0.507 560 T N 2.913 117.193 114.554 -0.455 0.000 3.035 560 T HA 0.171 4.520 4.350 -0.001 0.000 0.268 560 T C 0.695 175.354 174.700 -0.068 0.000 1.109 560 T CA 0.482 62.478 62.100 -0.173 0.000 1.119 560 T CB -0.230 68.676 68.868 0.063 0.000 0.900 560 T HN 0.420 nan 8.240 nan 0.000 0.503 561 L N 2.782 123.913 121.223 -0.154 0.000 2.417 561 L HA 0.309 4.648 4.340 -0.001 0.000 0.268 561 L C -1.595 175.131 176.870 -0.240 0.000 1.158 561 L CA -1.892 52.823 54.840 -0.209 0.000 0.819 561 L CB 0.609 42.411 42.059 -0.429 0.000 1.112 561 L HN -0.036 nan 8.230 nan 0.000 0.458 562 P HA 0.050 nan 4.420 nan 0.000 0.243 562 P C -0.952 176.363 177.300 0.025 0.000 1.668 562 P CA 0.335 63.422 63.100 -0.022 0.000 0.898 562 P CB -0.344 31.399 31.700 0.072 0.000 1.637 563 H N -3.225 115.855 119.070 0.016 0.000 3.016 563 H HA 0.238 4.794 4.556 -0.001 0.000 0.362 563 H C -1.018 174.322 175.328 0.019 0.000 1.233 563 H CA -1.066 55.008 56.048 0.045 0.000 1.124 563 H CB -0.038 29.778 29.762 0.090 0.000 1.850 563 H HN -0.129 nan 8.280 nan 0.000 0.549 564 W N 1.692 123.101 121.300 0.181 0.000 2.257 564 W HA 0.226 4.886 4.660 -0.001 0.000 0.337 564 W C 0.898 177.525 176.519 0.179 0.000 1.321 564 W CA 0.491 57.911 57.345 0.125 0.000 1.267 564 W CB 0.440 29.960 29.460 0.100 0.000 1.187 564 W HN 0.522 nan 8.180 nan 0.000 0.565 565 R N 2.255 122.958 120.500 0.339 0.000 2.604 565 R HA 0.294 4.633 4.340 -0.001 0.000 0.281 565 R C -1.097 175.337 176.300 0.223 0.000 1.020 565 R CA -0.662 55.592 56.100 0.257 0.000 0.899 565 R CB 1.424 31.799 30.300 0.125 0.000 1.205 565 R HN 0.505 nan 8.270 nan 0.000 0.450 566 E N 2.360 122.668 120.200 0.181 0.000 2.191 566 E HA 0.276 4.625 4.350 -0.001 0.000 0.274 566 E C -1.253 175.395 176.600 0.080 0.000 0.948 566 E CA -0.806 55.678 56.400 0.139 0.000 0.802 566 E CB 2.410 32.187 29.700 0.128 0.000 1.137 566 E HN 0.403 nan 8.360 nan 0.000 0.397 567 Q N 2.707 122.531 119.800 0.041 0.000 2.386 567 Q HA 0.253 4.593 4.340 -0.001 0.000 0.274 567 Q C -1.548 174.411 176.000 -0.067 0.000 1.011 567 Q CA -0.588 55.209 55.803 -0.010 0.000 0.867 567 Q CB 1.429 30.151 28.738 -0.028 0.000 1.409 567 Q HN 0.544 nan 8.270 nan 0.000 0.395 568 L N 3.141 124.319 121.223 -0.075 0.000 2.416 568 L HA 0.381 4.720 4.340 -0.001 0.000 0.272 568 L C 0.217 176.951 176.870 -0.227 0.000 1.161 568 L CA -0.368 54.389 54.840 -0.138 0.000 0.845 568 L CB 0.608 42.621 42.059 -0.076 0.000 1.119 568 L HN 0.475 nan 8.230 nan 0.000 0.464 569 V N -0.617 119.057 119.914 -0.399 0.000 2.914 569 V HA 0.711 4.831 4.120 -0.001 0.000 0.314 569 V C -0.944 174.873 176.094 -0.463 0.000 1.084 569 V CA -0.846 61.174 62.300 -0.467 0.000 0.963 569 V CB 2.175 33.670 31.823 -0.547 0.000 1.025 569 V HN 0.810 nan 8.190 nan 0.000 0.432 570 D N 1.441 121.564 120.400 -0.463 0.000 2.601 570 D HA 0.632 5.271 4.640 -0.001 0.000 0.230 570 D C -1.448 174.535 176.300 -0.529 0.000 1.106 570 D CA -0.392 53.444 54.000 -0.273 0.000 0.873 570 D CB 2.490 43.226 40.800 -0.107 0.000 1.515 570 D HN 0.447 nan 8.370 nan 0.000 0.468 571 F N -0.155 119.842 119.950 0.078 0.000 2.599 571 F HA 0.351 4.878 4.527 -0.001 0.000 0.311 571 F C -0.627 175.312 175.800 0.232 0.000 1.076 571 F CA -1.015 57.042 58.000 0.095 0.000 0.937 571 F CB 1.604 40.714 39.000 0.182 0.000 1.282 571 F HN 0.157 nan 8.300 nan 0.000 0.460 572 Y N 2.060 122.514 120.300 0.256 0.000 2.304 572 Y HA 0.574 5.124 4.550 -0.001 0.000 0.328 572 Y C 0.172 176.195 175.900 0.205 0.000 1.123 572 Y CA -1.488 56.714 58.100 0.171 0.000 1.218 572 Y CB 0.993 39.508 38.460 0.091 0.000 1.207 572 Y HN 0.344 nan 8.280 nan 0.000 0.495 573 V N -0.429 119.691 119.914 0.344 0.000 3.040 573 V HA 0.573 4.693 4.120 -0.001 0.000 0.312 573 V C 0.338 176.573 176.094 0.235 0.000 1.115 573 V CA -0.743 61.720 62.300 0.270 0.000 0.998 573 V CB 1.719 33.702 31.823 0.267 0.000 1.042 573 V HN 0.671 nan 8.190 nan 0.000 0.433 574 S N 0.221 116.038 115.700 0.195 0.000 2.593 574 S HA 0.265 4.734 4.470 -0.001 0.000 0.217 574 S C 0.671 175.413 174.600 0.236 0.000 0.966 574 S CA 0.475 58.779 58.200 0.172 0.000 0.914 574 S CB -0.242 63.028 63.200 0.117 0.000 0.776 574 S HN 1.482 nan 8.310 nan 0.000 0.523 575 S N 1.206 117.046 115.700 0.235 0.000 2.546 575 S HA 0.578 5.047 4.470 -0.001 0.000 0.274 575 S C -2.625 171.904 174.600 -0.119 0.000 1.121 575 S CA -1.353 56.882 58.200 0.058 0.000 0.887 575 S CB 1.969 65.209 63.200 0.067 0.000 1.094 575 S HN 0.014 nan 8.310 nan 0.000 0.474 576 P HA 0.187 nan 4.420 nan 0.000 0.240 576 P C -0.064 177.122 177.300 -0.190 0.000 1.190 576 P CA 0.348 63.100 63.100 -0.580 0.000 0.781 576 P CB -0.167 30.866 31.700 -1.111 0.000 0.931 577 F N 0.845 120.812 119.950 0.028 0.000 2.509 577 F HA 0.274 4.801 4.527 -0.001 0.000 0.344 577 F C 0.327 176.174 175.800 0.079 0.000 1.197 577 F CA -0.827 57.219 58.000 0.076 0.000 1.294 577 F CB 0.406 39.414 39.000 0.014 0.000 1.643 577 F HN -0.341 nan 8.300 nan 0.000 0.596 578 V N 1.112 121.171 119.914 0.242 0.000 2.709 578 V HA 0.541 4.661 4.120 -0.001 0.000 0.308 578 V C -0.351 175.816 176.094 0.121 0.000 1.062 578 V CA -0.767 61.630 62.300 0.161 0.000 0.901 578 V CB 2.338 34.249 31.823 0.148 0.000 1.003 578 V HN 0.519 nan 8.190 nan 0.000 0.425 579 S N 2.950 118.700 115.700 0.085 0.000 2.634 579 S HA 0.900 5.370 4.470 -0.001 0.000 0.296 579 S C -0.996 173.593 174.600 -0.019 0.000 1.104 579 S CA -0.818 57.411 58.200 0.048 0.000 0.920 579 S CB 2.113 65.358 63.200 0.074 0.000 1.111 579 S HN 0.444 nan 8.310 nan 0.000 0.493 580 V N 1.741 121.607 119.914 -0.080 0.000 2.628 580 V HA 0.821 4.940 4.120 -0.001 0.000 0.306 580 V C -0.001 176.008 176.094 -0.143 0.000 1.045 580 V CA -0.431 61.743 62.300 -0.209 0.000 0.905 580 V CB 1.666 33.178 31.823 -0.518 0.000 0.997 580 V HN 1.221 nan 8.190 nan 0.000 0.436 581 T N -0.544 113.943 114.554 -0.112 0.000 2.896 581 T HA 0.644 4.994 4.350 -0.001 0.000 0.297 581 T C -0.893 173.786 174.700 -0.035 0.000 1.108 581 T CA -0.917 61.140 62.100 -0.071 0.000 1.004 581 T CB 2.070 70.888 68.868 -0.082 0.000 1.159 581 T HN 0.715 nan 8.240 nan 0.000 0.499 582 D N 0.612 120.965 120.400 -0.079 0.000 2.451 582 D HA 0.232 4.872 4.640 -0.001 0.000 0.259 582 D C 0.994 177.157 176.300 -0.229 0.000 1.201 582 D CA -1.162 52.677 54.000 -0.269 0.000 1.028 582 D CB 0.321 40.963 40.800 -0.264 0.000 1.095 582 D HN 0.304 nan 8.370 nan 0.000 0.539 583 L N -0.436 120.635 121.223 -0.254 0.000 2.552 583 L HA 0.213 4.552 4.340 -0.001 0.000 0.227 583 L C 1.914 178.706 176.870 -0.129 0.000 1.146 583 L CA 0.944 55.674 54.840 -0.184 0.000 0.858 583 L CB -0.980 40.977 42.059 -0.169 0.000 0.969 583 L HN 0.645 nan 8.230 nan 0.000 0.451 584 A N -1.268 121.482 122.820 -0.117 0.000 2.302 584 A HA 0.093 4.412 4.320 -0.001 0.000 0.219 584 A C 1.097 178.635 177.584 -0.076 0.000 1.243 584 A CA 0.224 52.211 52.037 -0.084 0.000 0.856 584 A CB -0.479 18.478 19.000 -0.071 0.000 0.893 584 A HN 0.496 nan 8.150 nan 0.000 0.491 585 N N -0.137 118.510 118.700 -0.088 0.000 2.782 585 N HA -0.126 4.613 4.740 -0.001 0.000 0.251 585 N C -1.059 174.408 175.510 -0.071 0.000 1.101 585 N CA 0.664 53.669 53.050 -0.074 0.000 0.764 585 N CB -1.482 36.973 38.487 -0.054 0.000 1.122 585 N HN 0.590 nan 8.380 nan 0.000 0.561 586 N N 1.635 120.289 118.700 -0.077 0.000 2.458 586 N HA 0.261 5.001 4.740 -0.001 0.000 0.270 586 N C -2.346 173.099 175.510 -0.108 0.000 1.102 586 N CA -0.722 52.279 53.050 -0.082 0.000 0.967 586 N CB 0.679 39.128 38.487 -0.064 0.000 1.078 586 N HN 0.183 nan 8.380 nan 0.000 0.471 587 P HA 0.071 nan 4.420 nan 0.000 0.269 587 P C -0.419 176.750 177.300 -0.217 0.000 1.209 587 P CA -0.108 62.824 63.100 -0.281 0.000 0.776 587 P CB 0.773 32.062 31.700 -0.684 0.000 0.876 588 V N 2.110 121.941 119.914 -0.139 0.000 2.531 588 V HA 0.216 4.336 4.120 -0.001 0.000 0.301 588 V C 0.430 176.519 176.094 -0.008 0.000 1.034 588 V CA -0.847 61.428 62.300 -0.041 0.000 0.865 588 V CB 1.484 33.297 31.823 -0.016 0.000 0.995 588 V HN 0.558 nan 8.190 nan 0.000 0.424 589 E N 2.908 123.143 120.200 0.057 0.000 2.414 589 E HA 0.475 4.825 4.350 -0.001 0.000 0.263 589 E C -0.231 176.440 176.600 0.118 0.000 1.000 589 E CA 0.107 56.573 56.400 0.110 0.000 0.914 589 E CB 0.907 30.676 29.700 0.115 0.000 0.948 589 E HN 0.887 nan 8.360 nan 0.000 0.444 590 A N 4.215 127.095 122.820 0.099 0.000 2.527 590 A HA 0.432 4.752 4.320 -0.001 0.000 0.293 590 A C -1.328 176.280 177.584 0.039 0.000 1.117 590 A CA -0.709 51.398 52.037 0.116 0.000 0.723 590 A CB 1.967 21.028 19.000 0.103 0.000 1.313 590 A HN 0.661 nan 8.150 nan 0.000 0.411 591 Q N 0.802 120.633 119.800 0.051 0.000 2.323 591 Q HA 0.648 4.987 4.340 -0.001 0.000 0.271 591 Q C -2.036 173.966 176.000 0.003 0.000 1.048 591 Q CA -0.540 55.252 55.803 -0.018 0.000 0.792 591 Q CB 2.194 30.958 28.738 0.043 0.000 1.280 591 Q HN 0.581 nan 8.270 nan 0.000 0.441 592 V N 2.609 122.459 119.914 -0.107 0.000 2.483 592 V HA 0.606 4.726 4.120 -0.001 0.000 0.295 592 V C -0.560 175.723 176.094 0.316 0.000 1.035 592 V CA -0.290 62.066 62.300 0.092 0.000 0.896 592 V CB 1.877 33.725 31.823 0.042 0.000 0.986 592 V HN 0.862 nan 8.190 nan 0.000 0.447 593 S N 4.958 120.876 115.700 0.363 0.000 2.599 593 S HA 0.688 5.158 4.470 -0.001 0.000 0.287 593 S C -2.805 171.869 174.600 0.123 0.000 1.105 593 S CA -1.152 57.241 58.200 0.322 0.000 0.899 593 S CB 2.448 65.784 63.200 0.226 0.000 1.100 593 S HN 0.536 nan 8.310 nan 0.000 0.482 594 P HA 0.294 nan 4.420 nan 0.000 0.274 594 P C -1.168 175.808 177.300 -0.540 0.000 1.256 594 P CA -0.540 62.184 63.100 -0.627 0.000 0.795 594 P CB 0.391 31.317 31.700 -1.289 0.000 1.038 595 V N 1.400 120.922 119.914 -0.654 0.000 2.364 595 V HA 0.221 4.340 4.120 -0.001 0.000 0.272 595 V C -0.603 175.188 176.094 -0.504 0.000 1.036 595 V CA -0.200 61.816 62.300 -0.474 0.000 0.880 595 V CB -0.161 31.300 31.823 -0.604 0.000 0.991 595 V HN 0.519 nan 8.190 nan 0.000 0.460 596 W N 3.441 124.659 121.300 -0.136 0.000 2.478 596 W HA 0.634 5.294 4.660 -0.001 0.000 0.318 596 W C 0.337 176.795 176.519 -0.103 0.000 1.062 596 W CA -0.437 56.810 57.345 -0.162 0.000 1.210 596 W CB 1.935 31.308 29.460 -0.146 0.000 1.325 596 W HN 0.576 nan 8.180 nan 0.000 0.496 597 S N 1.462 117.221 115.700 0.099 0.000 2.526 597 S HA 0.579 5.048 4.470 -0.001 0.000 0.293 597 S C -1.377 173.229 174.600 0.011 0.000 1.092 597 S CA -0.948 57.317 58.200 0.108 0.000 0.980 597 S CB 1.121 64.352 63.200 0.050 0.000 1.048 597 S HN 0.412 nan 8.310 nan 0.000 0.483 598 W N 1.653 122.992 121.300 0.065 0.000 2.417 598 W HA 0.585 5.245 4.660 -0.001 0.000 0.317 598 W C 0.345 176.902 176.519 0.064 0.000 1.121 598 W CA 0.055 57.407 57.345 0.012 0.000 1.208 598 W CB 0.919 30.367 29.460 -0.021 0.000 1.253 598 W HN 0.975 nan 8.180 nan 0.000 0.533 599 H N 0.540 119.591 119.070 -0.031 0.000 2.877 599 H HA 0.369 4.925 4.556 -0.001 0.000 0.347 599 H C -1.297 173.918 175.328 -0.188 0.000 1.042 599 H CA -0.909 55.118 56.048 -0.034 0.000 1.276 599 H CB 0.716 30.397 29.762 -0.134 0.000 1.681 599 H HN 0.396 nan 8.280 nan 0.000 0.521 600 H N 3.233 122.090 119.070 -0.355 0.000 3.004 600 H HA 0.142 4.697 4.556 -0.001 0.000 0.267 600 H C -0.345 174.575 175.328 -0.680 0.000 1.165 600 H CA -0.383 55.465 56.048 -0.332 0.000 1.450 600 H CB 0.150 29.834 29.762 -0.130 0.000 1.488 600 H HN 0.530 nan 8.280 nan 0.000 0.478 601 D N 2.643 122.632 120.400 -0.685 0.000 2.352 601 D HA -0.030 4.610 4.640 -0.001 0.000 0.245 601 D C 0.956 177.203 176.300 -0.089 0.000 1.224 601 D CA -0.065 53.642 54.000 -0.487 0.000 0.879 601 D CB 0.634 41.460 40.800 0.043 0.000 1.057 601 D HN 0.676 nan 8.370 nan 0.000 0.491 602 T N 1.350 115.895 114.554 -0.015 0.000 3.113 602 T HA -0.071 4.279 4.350 -0.001 0.000 0.263 602 T C 1.742 176.468 174.700 0.043 0.000 1.143 602 T CA 0.116 62.231 62.100 0.026 0.000 1.090 602 T CB 0.195 69.087 68.868 0.039 0.000 0.922 602 T HN 0.244 nan 8.240 nan 0.000 0.521 603 L N 2.210 123.473 121.223 0.067 0.000 2.121 603 L HA 0.115 4.454 4.340 -0.001 0.000 0.200 603 L C 3.018 179.916 176.870 0.047 0.000 1.077 603 L CA 2.172 57.048 54.840 0.060 0.000 0.766 603 L CB -1.707 40.398 42.059 0.077 0.000 0.931 603 L HN 0.542 nan 8.230 nan 0.000 0.452 604 T N -3.651 110.937 114.554 0.057 0.000 3.088 604 T HA -0.036 4.313 4.350 -0.001 0.000 0.259 604 T C 0.757 175.472 174.700 0.026 0.000 1.122 604 T CA -0.063 62.056 62.100 0.032 0.000 1.095 604 T CB 0.050 68.928 68.868 0.017 0.000 0.930 604 T HN 0.129 nan 8.240 nan 0.000 0.508 605 K N 2.008 122.425 120.400 0.029 0.000 3.125 605 K HA -0.121 4.199 4.320 -0.001 0.000 0.268 605 K C 0.071 176.684 176.600 0.021 0.000 1.078 605 K CA 1.225 57.524 56.287 0.019 0.000 0.775 605 K CB -2.881 29.629 32.500 0.017 0.000 1.253 605 K HN 0.882 nan 8.250 nan 0.000 0.486 606 T N -2.819 111.758 114.554 0.038 0.000 2.896 606 T HA 0.805 5.155 4.350 -0.001 0.000 0.297 606 T C 0.164 174.905 174.700 0.068 0.000 1.108 606 T CA -1.043 61.096 62.100 0.064 0.000 1.004 606 T CB 2.291 71.210 68.868 0.084 0.000 1.159 606 T HN 0.137 nan 8.240 nan 0.000 0.499 607 I N 3.873 124.472 120.570 0.049 0.000 2.355 607 I HA 0.452 4.622 4.170 -0.001 0.000 0.288 607 I C -0.013 176.245 176.117 0.235 0.000 0.999 607 I CA -0.719 60.547 61.300 -0.056 0.000 1.163 607 I CB 0.708 38.596 38.000 -0.186 0.000 1.316 607 I HN 0.785 nan 8.210 nan 0.000 0.454 608 H N 6.358 125.487 119.070 0.099 0.000 3.016 608 H HA 0.593 5.149 4.556 -0.001 0.000 0.362 608 H C -3.316 171.793 175.328 -0.364 0.000 1.233 608 H CA -2.638 53.371 56.048 -0.065 0.000 1.124 608 H CB 2.042 31.778 29.762 -0.042 0.000 1.850 608 H HN 0.155 nan 8.280 nan 0.000 0.549 609 P HA 0.223 nan 4.420 nan 0.000 0.290 609 P C -0.769 176.419 177.300 -0.187 0.000 1.275 609 P CA -0.612 61.964 63.100 -0.874 0.000 0.841 609 P CB 2.085 32.895 31.700 -1.485 0.000 1.042 610 Q N 0.799 120.564 119.800 -0.057 0.000 2.337 610 Q HA 0.575 4.915 4.340 -0.001 0.000 0.266 610 Q C 0.135 176.169 176.000 0.057 0.000 1.023 610 Q CA -0.552 55.282 55.803 0.053 0.000 0.829 610 Q CB 2.829 31.524 28.738 -0.072 0.000 1.306 610 Q HN 0.594 nan 8.270 nan 0.000 0.449 611 G N 0.606 109.334 108.800 -0.121 0.000 2.389 611 G HA2 0.360 4.320 3.960 -0.001 0.000 0.328 611 G HA3 0.360 4.320 3.960 -0.001 0.000 0.328 611 G C -0.458 174.166 174.900 -0.460 0.000 1.133 611 G CA -0.329 44.382 45.100 -0.648 0.000 0.891 611 G HN 0.420 nan 8.290 nan 0.000 0.485 612 S N -0.733 114.637 115.700 -0.549 0.000 2.580 612 S HA 0.364 4.833 4.470 -0.001 0.000 0.274 612 S C 1.486 175.812 174.600 -0.458 0.000 1.329 612 S CA 0.207 58.130 58.200 -0.463 0.000 1.036 612 S CB 0.810 63.676 63.200 -0.556 0.000 0.919 612 S HN 0.904 nan 8.310 nan 0.000 0.515 613 T N -0.244 114.129 114.554 -0.302 0.000 3.092 613 T HA 0.190 4.540 4.350 -0.001 0.000 0.258 613 T C 0.908 175.529 174.700 -0.132 0.000 1.031 613 T CA 0.394 62.391 62.100 -0.173 0.000 0.925 613 T CB -0.217 68.603 68.868 -0.080 0.000 1.036 613 T HN 0.705 nan 8.240 nan 0.000 0.544 614 T N -2.383 111.987 114.554 -0.307 0.000 3.186 614 T HA 0.390 4.740 4.350 -0.001 0.000 0.292 614 T C 0.009 174.507 174.700 -0.336 0.000 0.915 614 T CA -0.561 61.427 62.100 -0.187 0.000 0.902 614 T CB 0.297 69.102 68.868 -0.104 0.000 1.192 614 T HN 0.203 nan 8.240 nan 0.000 0.563 615 K N 0.753 120.711 120.400 -0.736 0.000 2.422 615 K HA 0.670 4.989 4.320 -0.001 0.000 0.251 615 K C -1.885 174.028 176.600 -1.145 0.000 0.933 615 K CA -0.710 55.200 56.287 -0.627 0.000 0.798 615 K CB 2.380 34.544 32.500 -0.559 0.000 1.238 615 K HN 0.159 nan 8.250 nan 0.000 0.428 616 Y N 0.004 120.230 120.300 -0.124 0.000 2.609 616 Y HA 0.438 4.987 4.550 -0.001 0.000 0.342 616 Y C -0.158 175.773 175.900 0.051 0.000 1.058 616 Y CA -1.140 56.922 58.100 -0.064 0.000 1.055 616 Y CB 1.778 40.267 38.460 0.048 0.000 1.292 616 Y HN 0.239 nan 8.280 nan 0.000 0.476 617 R N 1.693 122.342 120.500 0.249 0.000 2.294 617 R HA 0.586 4.925 4.340 -0.001 0.000 0.319 617 R C -1.273 175.206 176.300 0.299 0.000 0.984 617 R CA -0.659 55.629 56.100 0.313 0.000 0.861 617 R CB 1.735 32.193 30.300 0.263 0.000 1.104 617 R HN 0.638 nan 8.270 nan 0.000 0.451 618 I N 4.166 124.930 120.570 0.323 0.000 2.441 618 I HA 0.440 4.609 4.170 -0.001 0.000 0.295 618 I C -1.047 175.257 176.117 0.310 0.000 0.994 618 I CA -0.798 60.682 61.300 0.301 0.000 1.144 618 I CB 1.087 39.279 38.000 0.321 0.000 1.314 618 I HN 0.544 nan 8.210 nan 0.000 0.445 619 I N 7.949 128.673 120.570 0.257 0.000 2.545 619 I HA 0.522 4.692 4.170 -0.001 0.000 0.292 619 I C -1.038 175.234 176.117 0.257 0.000 1.040 619 I CA -0.528 60.871 61.300 0.164 0.000 1.068 619 I CB 1.771 39.829 38.000 0.097 0.000 1.251 619 I HN 0.515 nan 8.210 nan 0.000 0.424 620 F N 2.584 122.559 119.950 0.041 0.000 2.713 620 F HA 0.559 5.086 4.527 -0.001 0.000 0.311 620 F C -1.082 174.702 175.800 -0.027 0.000 1.141 620 F CA -1.273 56.730 58.000 0.005 0.000 0.939 620 F CB 1.320 40.309 39.000 -0.018 0.000 1.325 620 F HN 0.210 nan 8.300 nan 0.000 0.453 621 K N 1.977 122.482 120.400 0.175 0.000 2.285 621 K HA 0.735 5.055 4.320 -0.001 0.000 0.286 621 K C -0.672 175.990 176.600 0.104 0.000 1.072 621 K CA -0.348 55.977 56.287 0.064 0.000 0.913 621 K CB 0.871 33.434 32.500 0.106 0.000 1.067 621 K HN 0.932 nan 8.250 nan 0.000 0.479 622 A N 4.624 127.411 122.820 -0.055 0.000 2.310 622 A HA 0.427 4.746 4.320 -0.001 0.000 0.299 622 A C -0.659 177.060 177.584 0.225 0.000 1.147 622 A CA -0.696 51.373 52.037 0.055 0.000 0.818 622 A CB 0.702 19.691 19.000 -0.017 0.000 1.096 622 A HN 0.882 nan 8.150 nan 0.000 0.495 623 R N 1.909 122.653 120.500 0.406 0.000 2.439 623 R HA 0.607 4.946 4.340 -0.001 0.000 0.310 623 R C -1.938 174.627 176.300 0.441 0.000 0.955 623 R CA -0.247 56.083 56.100 0.383 0.000 0.853 623 R CB 1.412 31.921 30.300 0.349 0.000 1.171 623 R HN 0.505 nan 8.270 nan 0.000 0.449 624 V N 5.973 126.101 119.914 0.356 0.000 2.656 624 V HA 0.477 4.597 4.120 -0.001 0.000 0.307 624 V C -2.276 173.716 176.094 -0.169 0.000 1.051 624 V CA -2.312 60.089 62.300 0.168 0.000 0.893 624 V CB 1.923 33.821 31.823 0.125 0.000 0.999 624 V HN 0.779 nan 8.190 nan 0.000 0.426 625 P HA 0.244 nan 4.420 nan 0.000 0.273 625 P C -2.755 174.052 177.300 -0.821 0.000 1.250 625 P CA -1.488 60.704 63.100 -1.514 0.000 0.793 625 P CB -0.223 30.791 31.700 -1.143 0.000 1.011 626 P HA 0.089 nan 4.420 nan 0.000 0.264 626 P C 0.094 177.348 177.300 -0.077 0.000 1.193 626 P CA 0.616 63.520 63.100 -0.326 0.000 0.763 626 P CB -0.250 31.329 31.700 -0.202 0.000 0.810 627 M N 0.412 120.009 119.600 -0.006 0.000 2.253 627 M HA -0.215 4.264 4.480 -0.001 0.000 0.199 627 M C 0.575 177.074 176.300 0.331 0.000 0.342 627 M CA 0.959 56.398 55.300 0.231 0.000 0.417 627 M CB -2.012 30.819 32.600 0.386 0.000 1.338 627 M HN 0.579 nan 8.290 nan 0.000 0.920 628 G N -0.212 108.639 108.800 0.084 0.000 3.105 628 G HA2 0.936 4.896 3.960 -0.001 0.000 0.277 628 G HA3 0.936 4.896 3.960 -0.001 0.000 0.277 628 G C -1.326 173.709 174.900 0.224 0.000 1.375 628 G CA -0.974 44.148 45.100 0.038 0.000 0.962 628 G HN 0.184 nan 8.290 nan 0.000 0.541 629 L N -0.476 120.861 121.223 0.191 0.000 2.388 629 L HA 0.798 5.137 4.340 -0.001 0.000 0.264 629 L C -0.244 176.728 176.870 0.170 0.000 0.998 629 L CA -1.033 53.953 54.840 0.243 0.000 0.817 629 L CB 2.479 44.687 42.059 0.248 0.000 1.338 629 L HN 0.754 nan 8.230 nan 0.000 0.414 630 A N 0.841 123.802 122.820 0.234 0.000 2.427 630 A HA 0.800 5.120 4.320 -0.001 0.000 0.298 630 A C -0.776 176.954 177.584 0.244 0.000 1.036 630 A CA -0.444 51.711 52.037 0.198 0.000 0.701 630 A CB 1.710 20.878 19.000 0.281 0.000 1.250 630 A HN 0.557 nan 8.150 nan 0.000 0.412 631 T N 2.172 116.761 114.554 0.059 0.000 2.829 631 T HA 0.653 5.003 4.350 -0.001 0.000 0.282 631 T C -1.050 173.542 174.700 -0.180 0.000 0.990 631 T CA 0.243 62.417 62.100 0.124 0.000 1.028 631 T CB 0.350 69.289 68.868 0.118 0.000 0.951 631 T HN 0.441 nan 8.240 nan 0.000 0.460 632 Y N 0.294 120.674 120.300 0.133 0.000 2.634 632 Y HA 0.680 5.229 4.550 -0.001 0.000 0.340 632 Y C -0.345 175.477 175.900 -0.130 0.000 1.058 632 Y CA -1.174 56.917 58.100 -0.015 0.000 1.081 632 Y CB 1.683 40.147 38.460 0.006 0.000 1.295 632 Y HN 0.307 nan 8.280 nan 0.000 0.487 633 V N 2.999 122.877 119.914 -0.060 0.000 2.588 633 V HA 0.451 4.571 4.120 -0.001 0.000 0.304 633 V C -0.822 175.220 176.094 -0.087 0.000 1.042 633 V CA -0.964 61.244 62.300 -0.154 0.000 0.877 633 V CB 1.833 33.494 31.823 -0.269 0.000 0.996 633 V HN 0.496 nan 8.190 nan 0.000 0.425 634 L N 3.772 124.974 121.223 -0.035 0.000 2.296 634 L HA 0.703 5.043 4.340 -0.001 0.000 0.286 634 L C -0.139 176.753 176.870 0.037 0.000 1.023 634 L CA -0.149 54.684 54.840 -0.011 0.000 0.812 634 L CB 1.869 43.937 42.059 0.014 0.000 1.223 634 L HN 0.607 nan 8.230 nan 0.000 0.421 635 T N 3.651 118.229 114.554 0.040 0.000 2.861 635 T HA 0.472 4.822 4.350 -0.001 0.000 0.287 635 T C -0.288 174.463 174.700 0.084 0.000 1.003 635 T CA -0.381 61.756 62.100 0.061 0.000 0.977 635 T CB 2.411 71.305 68.868 0.042 0.000 0.996 635 T HN 0.388 nan 8.240 nan 0.000 0.448 636 I N 3.024 123.651 120.570 0.096 0.000 2.612 636 I HA 0.575 4.744 4.170 -0.001 0.000 0.295 636 I C 0.185 176.365 176.117 0.103 0.000 1.011 636 I CA 0.060 61.431 61.300 0.119 0.000 1.326 636 I CB 0.828 38.901 38.000 0.122 0.000 1.427 636 I HN 0.824 nan 8.210 nan 0.000 0.537 637 S N 3.637 119.412 115.700 0.126 0.000 2.661 637 S HA 0.304 4.773 4.470 -0.001 0.000 0.285 637 S C 0.193 174.816 174.600 0.040 0.000 1.138 637 S CA -0.562 57.675 58.200 0.062 0.000 0.855 637 S CB 1.552 64.772 63.200 0.033 0.000 1.136 637 S HN 0.742 nan 8.310 nan 0.000 0.484 638 D N 0.261 120.630 120.400 -0.053 0.000 2.317 638 D HA 0.033 4.672 4.640 -0.001 0.000 0.211 638 D C 0.767 176.808 176.300 -0.431 0.000 0.966 638 D CA 0.892 54.822 54.000 -0.116 0.000 0.876 638 D CB -0.079 40.669 40.800 -0.086 0.000 0.927 638 D HN 0.623 nan 8.370 nan 0.000 0.519 639 S N -1.359 114.003 115.700 -0.563 0.000 2.720 639 S HA 0.386 4.856 4.470 -0.001 0.000 0.287 639 S C -0.623 173.536 174.600 -0.735 0.000 1.168 639 S CA -1.120 56.490 58.200 -0.984 0.000 0.832 639 S CB 1.656 64.553 63.200 -0.505 0.000 1.166 639 S HN -0.048 nan 8.310 nan 0.000 0.493 640 K N 1.971 122.037 120.400 -0.556 0.000 2.440 640 K HA 0.146 4.466 4.320 -0.001 0.000 0.275 640 K C -2.387 174.239 176.600 0.043 0.000 1.082 640 K CA -0.471 55.825 56.287 0.015 0.000 1.135 640 K CB -0.507 32.044 32.500 0.086 0.000 0.864 640 K HN 0.384 nan 8.250 nan 0.000 0.479 641 P HA -0.003 nan 4.420 nan 0.000 0.275 641 P C 0.470 177.794 177.300 0.039 0.000 1.228 641 P CA -0.313 62.836 63.100 0.082 0.000 0.786 641 P CB 0.808 32.582 31.700 0.123 0.000 0.927 642 E N 1.342 121.528 120.200 -0.024 0.000 2.118 642 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 642 E C 0.485 176.907 176.600 -0.297 0.000 0.992 642 E CA 1.215 57.512 56.400 -0.172 0.000 0.804 642 E CB -0.036 29.500 29.700 -0.274 0.000 0.741 642 E HN 0.499 nan 8.360 nan 0.000 0.458 643 H N -0.639 118.442 119.070 0.018 0.000 2.505 643 H HA 0.217 4.773 4.556 -0.001 0.000 0.289 643 H C -0.423 174.901 175.328 -0.007 0.000 1.052 643 H CA 0.181 56.234 56.048 0.009 0.000 1.156 643 H CB 0.699 30.466 29.762 0.007 0.000 1.507 643 H HN -0.043 nan 8.280 nan 0.000 0.548 644 T N 1.428 116.003 114.554 0.036 0.000 2.807 644 T HA 0.325 4.675 4.350 -0.001 0.000 0.279 644 T C 0.314 174.895 174.700 -0.199 0.000 0.993 644 T CA -0.699 61.357 62.100 -0.074 0.000 0.970 644 T CB 2.165 70.987 68.868 -0.076 0.000 0.950 644 T HN 0.273 nan 8.240 nan 0.000 0.441 645 S N 2.257 117.792 115.700 -0.274 0.000 2.704 645 S HA 0.787 5.256 4.470 -0.001 0.000 0.305 645 S C -1.431 172.820 174.600 -0.583 0.000 1.107 645 S CA -0.822 57.228 58.200 -0.250 0.000 0.993 645 S CB 0.919 64.087 63.200 -0.054 0.000 1.110 645 S HN 0.579 nan 8.310 nan 0.000 0.534 646 Y N 0.026 120.333 120.300 0.012 0.000 2.376 646 Y HA 0.657 5.206 4.550 -0.001 0.000 0.340 646 Y C 0.589 176.542 175.900 0.089 0.000 0.965 646 Y CA -0.768 57.325 58.100 -0.011 0.000 1.078 646 Y CB 1.756 40.074 38.460 -0.236 0.000 1.193 646 Y HN 1.041 nan 8.280 nan 0.000 0.452 647 A N 1.973 124.984 122.820 0.319 0.000 2.386 647 A HA 0.505 4.824 4.320 -0.001 0.000 0.248 647 A C 0.269 178.053 177.584 0.333 0.000 1.082 647 A CA -0.302 51.908 52.037 0.288 0.000 0.789 647 A CB -0.033 19.136 19.000 0.283 0.000 1.025 647 A HN 0.766 nan 8.150 nan 0.000 0.490 648 S N 1.845 117.677 115.700 0.220 0.000 2.652 648 S HA 0.565 5.035 4.470 -0.001 0.000 0.270 648 S C -0.372 174.329 174.600 0.167 0.000 1.243 648 S CA -0.875 57.440 58.200 0.191 0.000 0.999 648 S CB 0.770 64.040 63.200 0.116 0.000 0.973 648 S HN 0.693 nan 8.310 nan 0.000 0.544 649 N N 0.425 119.200 118.700 0.125 0.000 2.310 649 N HA 0.469 5.208 4.740 -0.001 0.000 0.292 649 N C -2.038 173.422 175.510 -0.083 0.000 1.049 649 N CA -0.518 52.565 53.050 0.054 0.000 0.849 649 N CB 2.027 40.632 38.487 0.197 0.000 1.532 649 N HN 0.594 nan 8.380 nan 0.000 0.479 650 L N 2.598 123.726 121.223 -0.159 0.000 2.404 650 L HA 0.482 4.822 4.340 -0.001 0.000 0.272 650 L C -1.538 175.172 176.870 -0.266 0.000 0.980 650 L CA -0.568 54.145 54.840 -0.212 0.000 0.836 650 L CB 1.475 43.467 42.059 -0.112 0.000 1.238 650 L HN 0.428 nan 8.230 nan 0.000 0.408 651 L N 6.735 127.744 121.223 -0.357 0.000 2.262 651 L HA 0.463 4.802 4.340 -0.001 0.000 0.288 651 L C -1.175 175.655 176.870 -0.067 0.000 1.035 651 L CA -0.337 54.353 54.840 -0.251 0.000 0.820 651 L CB 1.132 43.021 42.059 -0.284 0.000 1.204 651 L HN 0.677 nan 8.230 nan 0.000 0.424 652 L N 6.921 128.127 121.223 -0.028 0.000 2.265 652 L HA 0.564 4.904 4.340 -0.001 0.000 0.289 652 L C -0.255 176.645 176.870 0.051 0.000 1.033 652 L CA -0.546 54.310 54.840 0.025 0.000 0.814 652 L CB 1.079 43.147 42.059 0.014 0.000 1.203 652 L HN 0.670 nan 8.230 nan 0.000 0.423 653 R N 2.116 122.659 120.500 0.070 0.000 2.824 653 R HA 0.414 4.753 4.340 -0.001 0.000 0.267 653 R C -1.773 174.557 176.300 0.051 0.000 1.035 653 R CA -0.992 55.144 56.100 0.060 0.000 0.887 653 R CB 1.047 31.382 30.300 0.059 0.000 1.262 653 R HN 0.168 nan 8.270 nan 0.000 0.487 654 K N 1.446 121.865 120.400 0.032 0.000 2.154 654 K HA 0.196 4.516 4.320 -0.001 0.000 0.264 654 K C -0.232 176.366 176.600 -0.003 0.000 1.008 654 K CA -0.245 56.052 56.287 0.018 0.000 0.937 654 K CB 0.679 33.187 32.500 0.013 0.000 1.002 654 K HN 0.878 nan 8.250 nan 0.000 0.469 655 N N 1.132 119.820 118.700 -0.019 0.000 2.746 655 N HA -0.119 4.621 4.740 -0.001 0.000 0.250 655 N C -2.385 173.079 175.510 -0.077 0.000 1.055 655 N CA -0.433 52.588 53.050 -0.048 0.000 0.699 655 N CB -0.247 38.214 38.487 -0.043 0.000 0.919 655 N HN 0.377 nan 8.380 nan 0.000 0.548 656 P HA 0.233 nan 4.420 nan 0.000 0.279 656 P C -0.409 176.724 177.300 -0.277 0.000 1.252 656 P CA 0.050 63.060 63.100 -0.149 0.000 0.811 656 P CB 1.388 33.003 31.700 -0.141 0.000 1.035 657 T N -2.819 111.567 114.554 -0.279 0.000 2.916 657 T HA 0.477 4.826 4.350 -0.001 0.000 0.292 657 T C 0.273 174.783 174.700 -0.315 0.000 1.064 657 T CA -0.757 61.183 62.100 -0.267 0.000 1.011 657 T CB 0.655 69.437 68.868 -0.144 0.000 1.152 657 T HN 0.486 nan 8.240 nan 0.000 0.510 658 S N 0.730 116.291 115.700 -0.232 0.000 2.569 658 S HA 0.391 4.861 4.470 -0.001 0.000 0.274 658 S C -0.161 174.529 174.600 0.150 0.000 1.353 658 S CA -0.724 57.432 58.200 -0.072 0.000 1.023 658 S CB -0.339 62.842 63.200 -0.032 0.000 0.876 658 S HN 0.700 nan 8.310 nan 0.000 0.540 659 L N 2.336 123.753 121.223 0.324 0.000 2.489 659 L HA 0.368 4.707 4.340 -0.001 0.000 0.257 659 L C -2.325 174.650 176.870 0.175 0.000 1.215 659 L CA -1.540 53.463 54.840 0.271 0.000 0.915 659 L CB 1.703 44.003 42.059 0.402 0.000 1.146 659 L HN 0.613 nan 8.230 nan 0.000 0.494 660 P HA 0.159 nan 4.420 nan 0.000 0.271 660 P C -0.098 177.200 177.300 -0.003 0.000 1.218 660 P CA -0.148 62.987 63.100 0.059 0.000 0.780 660 P CB 1.775 33.498 31.700 0.040 0.000 0.901 661 L N 1.144 122.376 121.223 0.015 0.000 3.347 661 L HA 0.284 4.623 4.340 -0.001 0.000 0.306 661 L C 1.413 178.350 176.870 0.112 0.000 1.301 661 L CA -0.101 54.725 54.840 -0.023 0.000 0.985 661 L CB 0.052 42.072 42.059 -0.066 0.000 1.400 661 L HN 0.742 nan 8.230 nan 0.000 0.601 662 G N 1.192 110.037 108.800 0.076 0.000 2.591 662 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.298 662 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.298 662 G C 0.541 175.486 174.900 0.075 0.000 1.195 662 G CA 0.712 45.871 45.100 0.098 0.000 0.989 662 G HN 0.476 nan 8.290 nan 0.000 0.551 663 Q N -0.499 119.318 119.800 0.028 0.000 2.472 663 Q HA 0.169 4.509 4.340 -0.001 0.000 0.208 663 Q C 0.871 176.670 176.000 -0.335 0.000 0.958 663 Q CA 0.343 56.053 55.803 -0.155 0.000 0.932 663 Q CB 0.225 28.793 28.738 -0.284 0.000 1.007 663 Q HN 0.506 nan 8.270 nan 0.000 0.508 664 Y N 4.227 124.310 120.300 -0.362 0.000 2.805 664 Y HA -0.055 4.495 4.550 -0.001 0.000 0.331 664 Y C -1.384 174.350 175.900 -0.277 0.000 1.241 664 Y CA -1.513 56.362 58.100 -0.375 0.000 1.546 664 Y CB 0.806 39.216 38.460 -0.083 0.000 1.248 664 Y HN 0.042 nan 8.280 nan 0.000 0.559 665 P HA -0.066 nan 4.420 nan 0.000 0.242 665 P C -0.664 176.471 177.300 -0.275 0.000 1.197 665 P CA 0.989 63.800 63.100 -0.482 0.000 0.765 665 P CB 0.535 31.850 31.700 -0.642 0.000 0.936 666 E N 0.944 121.023 120.200 -0.201 0.000 2.199 666 E HA 0.224 4.573 4.350 -0.001 0.000 0.265 666 E C -0.576 176.138 176.600 0.191 0.000 0.882 666 E CA -0.564 55.859 56.400 0.039 0.000 0.759 666 E CB 1.490 31.249 29.700 0.098 0.000 1.148 666 E HN 0.026 nan 8.360 nan 0.000 0.412 667 D N 1.368 121.845 120.400 0.127 0.000 2.382 667 D HA 0.084 4.724 4.640 -0.001 0.000 0.245 667 D C 0.225 176.596 176.300 0.119 0.000 1.120 667 D CA -0.223 53.860 54.000 0.138 0.000 0.890 667 D CB 1.218 42.086 40.800 0.113 0.000 1.201 667 D HN 0.042 nan 8.370 nan 0.000 0.433 668 V N 3.546 123.521 119.914 0.102 0.000 2.673 668 V HA -0.035 4.084 4.120 -0.001 0.000 0.303 668 V C 0.849 176.808 176.094 -0.225 0.000 1.046 668 V CA 0.182 62.447 62.300 -0.059 0.000 1.126 668 V CB 0.330 32.096 31.823 -0.096 0.000 0.934 668 V HN 0.306 nan 8.190 nan 0.000 0.487 669 K N 3.611 123.813 120.400 -0.331 0.000 2.123 669 K HA 0.684 5.003 4.320 -0.001 0.000 0.248 669 K C -0.907 175.313 176.600 -0.634 0.000 0.969 669 K CA -0.386 55.743 56.287 -0.264 0.000 0.882 669 K CB 1.664 34.112 32.500 -0.087 0.000 1.080 669 K HN 0.419 nan 8.250 nan 0.000 0.441 670 F N -1.107 118.855 119.950 0.019 0.000 2.603 670 F HA 0.690 5.217 4.527 -0.001 0.000 0.317 670 F C 0.561 176.364 175.800 0.005 0.000 1.066 670 F CA -0.651 57.352 58.000 0.004 0.000 0.941 670 F CB 2.730 41.730 39.000 0.001 0.000 1.291 670 F HN 0.591 nan 8.300 nan 0.000 0.472 671 G N 0.339 109.242 108.800 0.171 0.000 2.601 671 G HA2 0.406 4.366 3.960 -0.001 0.000 0.291 671 G HA3 0.406 4.366 3.960 -0.001 0.000 0.291 671 G C -2.222 172.729 174.900 0.084 0.000 1.456 671 G CA -0.842 44.320 45.100 0.103 0.000 0.804 671 G HN 0.367 nan 8.290 nan 0.000 0.499 672 D N 0.789 121.227 120.400 0.063 0.000 2.362 672 D HA 0.410 5.050 4.640 -0.001 0.000 0.242 672 D C -1.959 174.369 176.300 0.047 0.000 1.132 672 D CA -0.688 53.342 54.000 0.051 0.000 0.907 672 D CB 1.075 41.899 40.800 0.040 0.000 1.195 672 D HN 0.004 nan 8.370 nan 0.000 0.429 673 P HA 0.047 nan 4.420 nan 0.000 0.264 673 P C -0.501 176.826 177.300 0.047 0.000 1.179 673 P CA 0.495 63.623 63.100 0.047 0.000 0.763 673 P CB 0.423 32.153 31.700 0.049 0.000 0.806 674 R N 0.327 120.858 120.500 0.051 0.000 2.690 674 R HA 0.412 4.752 4.340 -0.001 0.000 0.269 674 R C -1.157 175.184 176.300 0.069 0.000 1.037 674 R CA -1.037 55.094 56.100 0.052 0.000 0.877 674 R CB 1.068 31.395 30.300 0.044 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.383 121.626 120.200 0.071 0.000 2.398 675 E HA 0.270 4.619 4.350 -0.001 0.000 0.263 675 E C -0.035 176.627 176.600 0.103 0.000 1.046 675 E CA -0.052 56.406 56.400 0.097 0.000 0.908 675 E CB 0.815 30.559 29.700 0.073 0.000 0.963 675 E HN 0.441 nan 8.360 nan 0.000 0.431 676 I N -2.265 118.402 120.570 0.161 0.000 3.095 676 I HA 0.542 4.712 4.170 -0.001 0.000 0.310 676 I C -0.703 175.564 176.117 0.250 0.000 1.196 676 I CA -0.733 60.661 61.300 0.157 0.000 0.985 676 I CB 2.481 40.545 38.000 0.107 0.000 1.250 676 I HN 0.123 nan 8.210 nan 0.000 0.446 677 S N 3.207 119.026 115.700 0.198 0.000 2.536 677 S HA 0.862 5.331 4.470 -0.001 0.000 0.287 677 S C -0.886 173.836 174.600 0.202 0.000 1.101 677 S CA -0.596 57.734 58.200 0.216 0.000 0.950 677 S CB 1.576 64.852 63.200 0.127 0.000 1.056 677 S HN 0.551 nan 8.310 nan 0.000 0.481 678 L N 2.048 123.417 121.223 0.243 0.000 2.424 678 L HA 0.689 5.029 4.340 -0.001 0.000 0.258 678 L C -0.514 176.453 176.870 0.163 0.000 0.995 678 L CA -0.693 54.260 54.840 0.188 0.000 0.821 678 L CB 2.348 44.531 42.059 0.207 0.000 1.383 678 L HN 0.502 nan 8.230 nan 0.000 0.410 679 R N 1.429 122.002 120.500 0.121 0.000 2.522 679 R HA 0.660 5.000 4.340 -0.001 0.000 0.283 679 R C -2.069 174.282 176.300 0.084 0.000 1.074 679 R CA -0.470 55.688 56.100 0.098 0.000 0.925 679 R CB 2.268 32.617 30.300 0.082 0.000 1.205 679 R HN 0.398 nan 8.270 nan 0.000 0.436 680 V N 4.533 124.494 119.914 0.079 0.000 2.435 680 V HA 0.579 4.698 4.120 -0.001 0.000 0.290 680 V C 1.090 177.219 176.094 0.057 0.000 1.030 680 V CA 0.611 62.953 62.300 0.069 0.000 0.881 680 V CB 1.159 33.024 31.823 0.071 0.000 0.983 680 V HN 1.111 nan 8.190 nan 0.000 0.445 681 G N 4.987 113.818 108.800 0.053 0.000 2.596 681 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.295 681 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.295 681 G C 0.454 175.378 174.900 0.040 0.000 1.240 681 G CA 0.607 45.734 45.100 0.045 0.000 0.985 681 G HN 0.701 nan 8.290 nan 0.000 0.555 682 N N 2.292 121.012 118.700 0.033 0.000 2.251 682 N HA 0.260 5.000 4.740 -0.001 0.000 0.217 682 N C 1.180 176.703 175.510 0.023 0.000 1.124 682 N CA 0.879 53.945 53.050 0.026 0.000 0.843 682 N CB 0.499 38.998 38.487 0.020 0.000 1.024 682 N HN 0.812 nan 8.380 nan 0.000 0.501 683 G N 1.915 110.733 108.800 0.030 0.000 2.486 683 G HA2 0.178 4.138 3.960 -0.001 0.000 0.272 683 G HA3 0.178 4.138 3.960 -0.001 0.000 0.272 683 G C -2.285 172.629 174.900 0.024 0.000 1.426 683 G CA -0.579 44.537 45.100 0.027 0.000 1.058 683 G HN 0.010 nan 8.290 nan 0.000 0.531 684 P HA 0.200 nan 4.420 nan 0.000 0.274 684 P C -0.579 176.744 177.300 0.037 0.000 1.237 684 P CA 0.052 63.160 63.100 0.014 0.000 0.793 684 P CB 0.912 32.616 31.700 0.006 0.000 0.977 685 T N 2.320 116.893 114.554 0.031 0.000 2.771 685 T HA 0.461 4.811 4.350 -0.001 0.000 0.281 685 T C 0.008 174.750 174.700 0.069 0.000 0.982 685 T CA -0.387 61.758 62.100 0.075 0.000 0.978 685 T CB 0.154 69.081 68.868 0.099 0.000 0.930 685 T HN 0.182 nan 8.240 nan 0.000 0.447 686 L N 2.694 123.967 121.223 0.083 0.000 2.329 686 L HA 0.789 5.129 4.340 -0.001 0.000 0.279 686 L C 0.197 177.021 176.870 -0.076 0.000 1.014 686 L CA -1.144 53.670 54.840 -0.042 0.000 0.814 686 L CB 1.534 43.555 42.059 -0.063 0.000 1.257 686 L HN 0.641 nan 8.230 nan 0.000 0.424 687 A N 3.070 125.762 122.820 -0.214 0.000 2.337 687 A HA 0.876 5.196 4.320 -0.001 0.000 0.329 687 A C -1.210 176.167 177.584 -0.346 0.000 1.146 687 A CA -0.316 51.658 52.037 -0.105 0.000 0.800 687 A CB 0.889 19.871 19.000 -0.029 0.000 1.220 687 A HN 0.498 nan 8.150 nan 0.000 0.472 688 F N 0.662 120.665 119.950 0.089 0.000 2.546 688 F HA 0.545 5.072 4.527 -0.001 0.000 0.320 688 F C 1.072 176.929 175.800 0.096 0.000 1.076 688 F CA -0.320 57.748 58.000 0.113 0.000 0.928 688 F CB 2.146 41.213 39.000 0.112 0.000 1.189 688 F HN 0.677 nan 8.300 nan 0.000 0.465 689 S N -0.052 115.819 115.700 0.286 0.000 2.617 689 S HA 0.117 4.587 4.470 -0.001 0.000 0.259 689 S C 1.003 175.714 174.600 0.186 0.000 1.301 689 S CA -0.079 58.236 58.200 0.192 0.000 0.984 689 S CB 0.698 64.017 63.200 0.198 0.000 0.954 689 S HN 0.846 nan 8.310 nan 0.000 0.572 690 E N -0.250 120.027 120.200 0.128 0.000 2.409 690 E HA -0.186 4.163 4.350 -0.001 0.000 0.198 690 E C 1.281 177.945 176.600 0.107 0.000 1.024 690 E CA 0.928 57.390 56.400 0.104 0.000 0.861 690 E CB -0.414 29.331 29.700 0.075 0.000 0.788 690 E HN 0.762 nan 8.360 nan 0.000 0.521 691 Q N 0.007 119.887 119.800 0.133 0.000 2.320 691 Q HA 0.199 4.539 4.340 -0.001 0.000 0.201 691 Q C 0.824 176.912 176.000 0.148 0.000 0.910 691 Q CA 0.436 56.314 55.803 0.124 0.000 0.946 691 Q CB 0.923 29.736 28.738 0.125 0.000 1.062 691 Q HN 0.495 nan 8.270 nan 0.000 0.503 692 G N 0.461 109.371 108.800 0.183 0.000 2.136 692 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.242 692 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.242 692 G C -0.248 174.878 174.900 0.377 0.000 0.989 692 G CA -0.146 45.069 45.100 0.191 0.000 0.682 692 G HN 0.270 nan 8.290 nan 0.000 0.522 693 L N -0.041 121.441 121.223 0.431 0.000 2.317 693 L HA 0.666 5.005 4.340 -0.001 0.000 0.281 693 L C 0.816 177.982 176.870 0.493 0.000 1.024 693 L CA -1.391 53.742 54.840 0.489 0.000 0.810 693 L CB 1.571 43.810 42.059 0.299 0.000 1.240 693 L HN 0.135 nan 8.230 nan 0.000 0.427 694 L N 3.472 124.966 121.223 0.452 0.000 2.543 694 L HA -0.057 4.283 4.340 -0.001 0.000 0.285 694 L C 1.020 177.960 176.870 0.117 0.000 1.236 694 L CA 0.976 55.828 54.840 0.020 0.000 0.871 694 L CB 0.194 42.300 42.059 0.078 0.000 1.121 694 L HN 0.806 nan 8.230 nan 0.000 0.501 695 K N 1.222 121.599 120.400 -0.038 0.000 2.511 695 K HA 0.328 4.647 4.320 -0.001 0.000 0.209 695 K C -0.095 176.472 176.600 -0.055 0.000 1.301 695 K CA 0.298 56.598 56.287 0.021 0.000 0.967 695 K CB 0.439 32.932 32.500 -0.012 0.000 1.109 695 K HN 0.605 nan 8.250 nan 0.000 0.561 696 S N 0.341 115.980 115.700 -0.101 0.000 2.565 696 S HA 0.599 5.069 4.470 -0.001 0.000 0.269 696 S C -1.185 173.374 174.600 -0.069 0.000 1.153 696 S CA -0.994 57.175 58.200 -0.052 0.000 0.835 696 S CB 1.347 64.569 63.200 0.037 0.000 1.122 696 S HN 0.175 nan 8.310 nan 0.000 0.462 697 I N 1.336 121.881 120.570 -0.042 0.000 2.499 697 I HA 0.457 4.627 4.170 -0.001 0.000 0.288 697 I C -0.687 175.395 176.117 -0.058 0.000 1.048 697 I CA -0.367 60.904 61.300 -0.049 0.000 1.062 697 I CB 2.163 40.123 38.000 -0.066 0.000 1.238 697 I HN 0.770 nan 8.210 nan 0.000 0.426 698 Q N 6.154 125.905 119.800 -0.083 0.000 2.341 698 Q HA 0.431 4.771 4.340 -0.001 0.000 0.268 698 Q C -0.109 175.819 176.000 -0.119 0.000 1.013 698 Q CA -0.564 55.118 55.803 -0.203 0.000 0.798 698 Q CB 1.755 30.227 28.738 -0.444 0.000 1.253 698 Q HN 0.777 nan 8.270 nan 0.000 0.457 699 L N 2.086 123.248 121.223 -0.101 0.000 2.093 699 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 699 L C 1.096 177.935 176.870 -0.052 0.000 1.085 699 L CA 1.315 56.117 54.840 -0.064 0.000 0.755 699 L CB -0.291 41.734 42.059 -0.056 0.000 0.904 699 L HN 0.708 nan 8.230 nan 0.000 0.435 700 T N -6.704 107.812 114.554 -0.065 0.000 2.865 700 T HA 0.214 4.564 4.350 -0.001 0.000 0.294 700 T C 0.509 175.177 174.700 -0.052 0.000 1.119 700 T CA -0.848 61.226 62.100 -0.044 0.000 1.007 700 T CB 1.876 70.723 68.868 -0.035 0.000 1.225 700 T HN -0.176 nan 8.240 nan 0.000 0.515 701 Q N 0.528 120.313 119.800 -0.026 0.000 2.096 701 Q HA -0.168 4.172 4.340 -0.001 0.000 0.208 701 Q C 1.483 177.468 176.000 -0.025 0.000 0.993 701 Q CA 2.277 58.071 55.803 -0.014 0.000 0.862 701 Q CB -0.467 28.273 28.738 0.002 0.000 0.915 701 Q HN 0.707 nan 8.270 nan 0.000 0.416 702 D N 0.450 120.834 120.400 -0.027 0.000 2.162 702 D HA -0.050 4.590 4.640 -0.001 0.000 0.203 702 D C 1.076 177.348 176.300 -0.046 0.000 0.967 702 D CA 0.708 54.693 54.000 -0.025 0.000 0.840 702 D CB -0.268 40.521 40.800 -0.018 0.000 0.972 702 D HN 0.205 nan 8.370 nan 0.000 0.482 703 S N 1.605 117.264 115.700 -0.067 0.000 2.572 703 S HA 0.166 4.636 4.470 -0.001 0.000 0.267 703 S C -2.391 172.124 174.600 -0.142 0.000 1.361 703 S CA -1.044 57.104 58.200 -0.086 0.000 1.009 703 S CB 0.586 63.734 63.200 -0.086 0.000 0.888 703 S HN -0.080 nan 8.310 nan 0.000 0.553 704 P HA 0.184 nan 4.420 nan 0.000 0.274 704 P C -0.743 176.433 177.300 -0.206 0.000 1.231 704 P CA -0.311 62.721 63.100 -0.113 0.000 0.790 704 P CB 0.218 31.900 31.700 -0.031 0.000 0.951 705 H N 0.791 119.860 119.070 -0.002 0.000 3.067 705 H HA 0.155 4.711 4.556 -0.001 0.000 0.265 705 H C -0.024 175.303 175.328 -0.001 0.000 1.234 705 H CA -0.303 55.741 56.048 -0.007 0.000 1.452 705 H CB -0.117 29.642 29.762 -0.006 0.000 1.527 705 H HN 0.107 nan 8.280 nan 0.000 0.486 706 V N 6.846 126.774 119.914 0.024 0.000 2.521 706 V HA 0.046 4.166 4.120 -0.001 0.000 0.286 706 V C -1.867 174.240 176.094 0.022 0.000 1.034 706 V CA -1.471 60.847 62.300 0.029 0.000 1.045 706 V CB 0.681 32.495 31.823 -0.014 0.000 0.974 706 V HN 0.534 nan 8.190 nan 0.000 0.480 707 P HA 0.204 nan 4.420 nan 0.000 0.266 707 P C -0.825 176.371 177.300 -0.175 0.000 1.215 707 P CA 0.211 63.290 63.100 -0.035 0.000 0.763 707 P CB 0.543 32.281 31.700 0.063 0.000 0.806 708 V N 4.231 124.058 119.914 -0.145 0.000 2.559 708 V HA 0.210 4.330 4.120 -0.001 0.000 0.289 708 V C -0.677 175.329 176.094 -0.147 0.000 1.036 708 V CA -0.414 61.767 62.300 -0.198 0.000 0.887 708 V CB 1.158 32.856 31.823 -0.208 0.000 1.022 708 V HN 0.614 nan 8.190 nan 0.000 0.442 709 H N 4.691 123.597 119.070 -0.273 0.000 2.505 709 H HA 0.550 5.106 4.556 -0.001 0.000 0.338 709 H C -1.325 173.878 175.328 -0.209 0.000 1.057 709 H CA -0.640 55.297 56.048 -0.186 0.000 1.202 709 H CB 1.280 30.973 29.762 -0.114 0.000 1.466 709 H HN 0.511 nan 8.280 nan 0.000 0.499 710 F N 3.987 123.699 119.950 -0.395 0.000 2.396 710 F HA 0.264 4.791 4.527 -0.001 0.000 0.343 710 F C 0.346 175.705 175.800 -0.735 0.000 1.104 710 F CA -0.034 57.679 58.000 -0.478 0.000 1.161 710 F CB 1.068 39.891 39.000 -0.295 0.000 1.146 710 F HN 0.370 nan 8.300 nan 0.000 0.522 711 K N 3.629 123.795 120.400 -0.389 0.000 2.523 711 K HA 0.464 4.784 4.320 -0.001 0.000 0.257 711 K C -1.960 174.385 176.600 -0.424 0.000 0.932 711 K CA -0.622 55.463 56.287 -0.337 0.000 0.812 711 K CB 1.424 33.779 32.500 -0.241 0.000 1.326 711 K HN 0.420 nan 8.250 nan 0.000 0.433 712 F N 3.880 123.752 119.950 -0.130 0.000 2.436 712 F HA 0.508 5.035 4.527 -0.001 0.000 0.340 712 F C -0.371 175.385 175.800 -0.074 0.000 1.113 712 F CA -0.583 57.355 58.000 -0.103 0.000 1.022 712 F CB 1.216 40.143 39.000 -0.121 0.000 1.128 712 F HN 0.243 nan 8.300 nan 0.000 0.466 713 L N 2.676 123.941 121.223 0.070 0.000 2.277 713 L HA 0.639 4.979 4.340 -0.001 0.000 0.254 713 L C -1.144 175.719 176.870 -0.012 0.000 1.044 713 L CA -1.011 53.820 54.840 -0.014 0.000 0.842 713 L CB 2.315 44.300 42.059 -0.124 0.000 1.422 713 L HN 0.489 nan 8.230 nan 0.000 0.422 714 K N -0.309 120.046 120.400 -0.075 0.000 2.427 714 K HA 0.641 4.961 4.320 -0.001 0.000 0.252 714 K C -1.792 174.746 176.600 -0.102 0.000 0.931 714 K CA -0.803 55.471 56.287 -0.021 0.000 0.793 714 K CB 1.792 34.314 32.500 0.037 0.000 1.211 714 K HN 0.279 nan 8.250 nan 0.000 0.426 715 Y N 0.494 120.856 120.300 0.103 0.000 2.419 715 Y HA 0.520 5.069 4.550 -0.001 0.000 0.328 715 Y C 1.006 176.963 175.900 0.095 0.000 1.162 715 Y CA -0.118 58.053 58.100 0.119 0.000 1.174 715 Y CB 2.200 40.799 38.460 0.232 0.000 1.228 715 Y HN 0.912 nan 8.280 nan 0.000 0.473 716 G N 0.430 109.377 108.800 0.245 0.000 2.971 716 G HA2 0.637 4.596 3.960 -0.001 0.000 0.235 716 G HA3 0.637 4.596 3.960 -0.001 0.000 0.235 716 G C -1.492 173.480 174.900 0.119 0.000 1.351 716 G CA -0.722 44.464 45.100 0.143 0.000 1.039 716 G HN 0.433 nan 8.290 nan 0.000 0.563 717 V N -0.180 119.772 119.914 0.063 0.000 2.864 717 V HA 0.470 4.590 4.120 -0.001 0.000 0.314 717 V C -0.022 176.063 176.094 -0.015 0.000 1.073 717 V CA -0.876 61.440 62.300 0.026 0.000 0.956 717 V CB 1.966 33.808 31.823 0.032 0.000 1.023 717 V HN 0.685 nan 8.190 nan 0.000 0.435 718 R N 1.265 121.729 120.500 -0.060 0.000 2.590 718 R HA 0.183 4.522 4.340 -0.001 0.000 0.274 718 R C 1.185 177.421 176.300 -0.106 0.000 1.061 718 R CA 0.455 56.479 56.100 -0.128 0.000 1.081 718 R CB 0.568 30.745 30.300 -0.205 0.000 0.984 718 R HN 0.915 nan 8.270 nan 0.000 0.448 719 S N 1.019 116.654 115.700 -0.110 0.000 2.528 719 S HA -0.036 4.434 4.470 -0.001 0.000 0.219 719 S C 0.210 174.836 174.600 0.042 0.000 0.985 719 S CA 0.066 58.261 58.200 -0.008 0.000 0.914 719 S CB -0.308 62.927 63.200 0.058 0.000 0.776 719 S HN 0.835 nan 8.310 nan 0.000 0.526 720 H N -2.328 116.743 119.070 0.002 0.000 2.980 720 H HA 0.761 5.317 4.556 -0.001 0.000 0.367 720 H C 0.379 175.705 175.328 -0.004 0.000 1.206 720 H CA -0.484 55.564 56.048 -0.001 0.000 1.126 720 H CB 0.958 30.720 29.762 -0.001 0.000 1.838 720 H HN 0.409 nan 8.280 nan 0.000 0.552 721 G N 0.701 109.537 108.800 0.060 0.000 2.615 721 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 721 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 721 G C -1.219 173.660 174.900 -0.036 0.000 1.339 721 G CA -0.259 44.841 45.100 -0.000 0.000 0.884 721 G HN 0.871 nan 8.290 nan 0.000 0.559 722 D N 1.311 121.684 120.400 -0.045 0.000 2.345 722 D HA 0.475 5.114 4.640 -0.001 0.000 0.247 722 D C 0.966 177.234 176.300 -0.053 0.000 1.108 722 D CA 0.238 54.212 54.000 -0.043 0.000 0.894 722 D CB 0.652 41.428 40.800 -0.041 0.000 1.203 722 D HN 0.507 nan 8.370 nan 0.000 0.430 723 R N 1.012 121.490 120.500 -0.038 0.000 2.474 723 R HA 0.374 4.714 4.340 -0.001 0.000 0.295 723 R C 0.092 176.381 176.300 -0.019 0.000 0.980 723 R CA -0.709 55.375 56.100 -0.027 0.000 0.934 723 R CB 1.305 31.599 30.300 -0.011 0.000 1.101 723 R HN 0.300 nan 8.270 nan 0.000 0.469 724 S N 0.379 116.078 115.700 -0.002 0.000 2.568 724 S HA 0.335 4.805 4.470 -0.001 0.000 0.282 724 S C 0.429 175.047 174.600 0.029 0.000 1.338 724 S CA 0.001 58.218 58.200 0.027 0.000 1.045 724 S CB 1.219 64.467 63.200 0.080 0.000 0.873 724 S HN 0.781 nan 8.310 nan 0.000 0.516 725 G N -0.124 108.694 108.800 0.031 0.000 2.815 725 G HA2 0.584 4.544 3.960 -0.001 0.000 0.305 725 G HA3 0.584 4.544 3.960 -0.001 0.000 0.305 725 G C 0.542 175.460 174.900 0.031 0.000 1.277 725 G CA -0.119 45.006 45.100 0.041 0.000 0.795 725 G HN 0.707 nan 8.290 nan 0.000 0.528 726 A N -1.256 121.569 122.820 0.009 0.000 1.978 726 A HA 0.045 4.365 4.320 -0.001 0.000 0.220 726 A C 1.914 179.399 177.584 -0.164 0.000 1.170 726 A CA 2.103 54.082 52.037 -0.097 0.000 0.636 726 A CB -0.648 18.226 19.000 -0.211 0.000 0.810 726 A HN 0.601 nan 8.150 nan 0.000 0.448 727 Y N -0.757 119.482 120.300 -0.102 0.000 2.301 727 Y HA 0.328 4.877 4.550 -0.001 0.000 0.295 727 Y C 0.900 176.695 175.900 -0.174 0.000 1.126 727 Y CA 0.064 58.034 58.100 -0.216 0.000 1.154 727 Y CB -0.179 37.808 38.460 -0.788 0.000 1.075 727 Y HN 0.028 nan 8.280 nan 0.000 0.534 728 L N 0.549 121.733 121.223 -0.066 0.000 2.312 728 L HA 0.215 4.554 4.340 -0.001 0.000 0.281 728 L C -0.914 176.003 176.870 0.078 0.000 1.070 728 L CA -0.324 54.479 54.840 -0.061 0.000 0.805 728 L CB 1.088 43.056 42.059 -0.151 0.000 1.174 728 L HN 0.109 nan 8.230 nan 0.000 0.434 729 F N 4.952 124.843 119.950 -0.099 0.000 2.375 729 F HA 0.480 5.006 4.527 -0.001 0.000 0.361 729 F C -0.606 175.113 175.800 -0.136 0.000 1.117 729 F CA -0.777 57.126 58.000 -0.162 0.000 1.037 729 F CB 0.707 39.545 39.000 -0.269 0.000 1.192 729 F HN 0.323 nan 8.300 nan 0.000 0.452 730 L N 8.969 130.086 121.223 -0.177 0.000 2.556 730 L HA 0.327 4.667 4.340 -0.001 0.000 0.243 730 L C -2.306 174.378 176.870 -0.310 0.000 1.331 730 L CA -1.883 52.798 54.840 -0.265 0.000 0.927 730 L CB 0.856 42.846 42.059 -0.115 0.000 1.219 730 L HN 0.423 nan 8.230 nan 0.000 0.490 731 P HA 0.015 nan 4.420 nan 0.000 0.269 731 P C -0.508 176.701 177.300 -0.152 0.000 1.215 731 P CA -0.225 62.677 63.100 -0.331 0.000 0.780 731 P CB 0.581 31.951 31.700 -0.551 0.000 0.898 732 N N 1.137 119.820 118.700 -0.028 0.000 3.250 732 N HA 0.276 5.016 4.740 -0.001 0.000 0.307 732 N C 0.687 176.206 175.510 0.015 0.000 1.355 732 N CA -0.135 52.901 53.050 -0.024 0.000 1.192 732 N CB -0.815 37.665 38.487 -0.011 0.000 1.478 732 N HN 0.753 nan 8.380 nan 0.000 0.543 733 G N 0.910 109.715 108.800 0.008 0.000 2.710 733 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.668 733 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.668 733 G C -3.013 171.959 174.900 0.121 0.000 1.320 733 G CA -1.108 44.015 45.100 0.039 0.000 0.860 733 G HN 0.386 nan 8.290 nan 0.000 0.538 734 P HA 0.444 nan 4.420 nan 0.000 0.268 734 P C 0.539 177.801 177.300 -0.063 0.000 1.208 734 P CA 0.691 63.851 63.100 0.100 0.000 0.777 734 P CB 0.381 32.106 31.700 0.043 0.000 0.875 735 A N 2.178 124.769 122.820 -0.383 0.000 2.425 735 A HA 0.361 4.680 4.320 -0.001 0.000 0.242 735 A C 0.208 177.640 177.584 -0.253 0.000 1.077 735 A CA 0.343 52.003 52.037 -0.628 0.000 0.781 735 A CB -0.249 18.085 19.000 -1.111 0.000 1.020 735 A HN 0.476 nan 8.150 nan 0.000 0.494 736 S N 2.372 117.961 115.700 -0.185 0.000 2.509 736 S HA 0.575 5.045 4.470 -0.001 0.000 0.297 736 S C -2.691 171.870 174.600 -0.064 0.000 1.118 736 S CA -0.999 57.151 58.200 -0.084 0.000 1.074 736 S CB 1.326 64.499 63.200 -0.044 0.000 1.038 736 S HN 0.561 nan 8.310 nan 0.000 0.498 737 P HA 0.104 nan 4.420 nan 0.000 0.268 737 P C -0.734 176.574 177.300 0.013 0.000 1.204 737 P CA -0.294 62.803 63.100 -0.004 0.000 0.768 737 P CB 0.314 32.022 31.700 0.013 0.000 0.842 738 V N 3.986 123.922 119.914 0.036 0.000 2.585 738 V HA -0.031 4.089 4.120 -0.001 0.000 0.296 738 V C 0.975 177.088 176.094 0.031 0.000 1.035 738 V CA 0.279 62.601 62.300 0.037 0.000 1.084 738 V CB -0.199 31.655 31.823 0.053 0.000 0.953 738 V HN 0.523 nan 8.190 nan 0.000 0.483 739 E N 4.436 124.649 120.200 0.021 0.000 2.217 739 E HA 0.140 4.490 4.350 -0.001 0.000 0.279 739 E C 0.483 177.093 176.600 0.016 0.000 1.068 739 E CA -0.172 56.241 56.400 0.021 0.000 0.882 739 E CB 0.838 30.548 29.700 0.018 0.000 1.039 739 E HN 0.555 nan 8.360 nan 0.000 0.418 740 L N 2.748 123.984 121.223 0.022 0.000 2.375 740 L HA 0.109 4.448 4.340 -0.001 0.000 0.215 740 L C 1.360 178.239 176.870 0.015 0.000 1.108 740 L CA 0.466 55.315 54.840 0.015 0.000 0.830 740 L CB -0.599 41.477 42.059 0.029 0.000 0.959 740 L HN 0.848 nan 8.230 nan 0.000 0.457 741 G N 0.707 109.520 108.800 0.021 0.000 2.552 741 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.265 741 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.265 741 G C -0.030 174.886 174.900 0.027 0.000 1.234 741 G CA 0.158 45.271 45.100 0.021 0.000 0.944 741 G HN 0.334 nan 8.290 nan 0.000 0.568 742 Q N 1.565 121.382 119.800 0.028 0.000 2.644 742 Q HA 0.470 4.809 4.340 -0.001 0.000 0.245 742 Q C -2.083 173.941 176.000 0.040 0.000 1.064 742 Q CA -1.651 54.173 55.803 0.035 0.000 0.860 742 Q CB 1.101 29.858 28.738 0.032 0.000 1.145 742 Q HN 0.628 nan 8.270 nan 0.000 0.515 743 P HA 0.025 nan 4.420 nan 0.000 0.272 743 P C -0.456 176.891 177.300 0.078 0.000 1.223 743 P CA -0.241 62.888 63.100 0.048 0.000 0.784 743 P CB 1.083 32.796 31.700 0.021 0.000 0.923 744 V N 2.493 122.484 119.914 0.127 0.000 2.488 744 V HA 0.115 4.234 4.120 -0.001 0.000 0.277 744 V C 0.553 176.781 176.094 0.224 0.000 1.046 744 V CA -0.191 62.212 62.300 0.170 0.000 0.986 744 V CB 1.175 33.134 31.823 0.227 0.000 0.989 744 V HN 0.269 nan 8.190 nan 0.000 0.475 745 V N 6.425 126.422 119.914 0.138 0.000 2.495 745 V HA 0.480 4.600 4.120 -0.001 0.000 0.298 745 V C -0.423 175.688 176.094 0.028 0.000 1.031 745 V CA -0.646 61.716 62.300 0.103 0.000 0.871 745 V CB 1.705 33.550 31.823 0.038 0.000 0.988 745 V HN 0.672 nan 8.190 nan 0.000 0.432 746 L N 6.586 127.821 121.223 0.019 0.000 2.305 746 L HA 0.737 5.077 4.340 -0.001 0.000 0.284 746 L C -0.641 176.118 176.870 -0.186 0.000 1.013 746 L CA -0.010 54.721 54.840 -0.183 0.000 0.819 746 L CB 1.785 43.645 42.059 -0.332 0.000 1.227 746 L HN 0.439 nan 8.230 nan 0.000 0.417 747 V N 4.108 123.903 119.914 -0.199 0.000 2.384 747 V HA 0.540 4.660 4.120 -0.001 0.000 0.287 747 V C 0.031 176.058 176.094 -0.111 0.000 1.020 747 V CA -0.391 61.815 62.300 -0.157 0.000 0.850 747 V CB 1.497 33.244 31.823 -0.127 0.000 0.987 747 V HN 0.847 nan 8.190 nan 0.000 0.436 748 T N 5.393 119.911 114.554 -0.060 0.000 2.779 748 T HA 0.443 4.793 4.350 -0.001 0.000 0.280 748 T C -0.388 174.343 174.700 0.051 0.000 0.987 748 T CA -0.556 61.564 62.100 0.033 0.000 0.966 748 T CB 1.146 70.071 68.868 0.095 0.000 0.933 748 T HN 0.659 nan 8.240 nan 0.000 0.442 749 K N 2.356 122.802 120.400 0.078 0.000 2.413 749 K HA 0.683 5.003 4.320 -0.001 0.000 0.257 749 K C -0.401 176.260 176.600 0.101 0.000 0.946 749 K CA -0.582 55.752 56.287 0.077 0.000 0.823 749 K CB 1.054 33.592 32.500 0.064 0.000 1.109 749 K HN 0.793 nan 8.250 nan 0.000 0.427 750 G N 2.219 111.076 108.800 0.095 0.000 2.680 750 G HA2 0.172 4.131 3.960 -0.001 0.000 0.290 750 G HA3 0.172 4.131 3.960 -0.001 0.000 0.290 750 G C -0.249 174.698 174.900 0.078 0.000 1.355 750 G CA -0.636 44.522 45.100 0.096 0.000 0.903 750 G HN 0.652 nan 8.290 nan 0.000 0.474 751 K N -0.372 120.070 120.400 0.069 0.000 2.097 751 K HA 0.133 4.453 4.320 -0.001 0.000 0.205 751 K C 1.766 178.404 176.600 0.063 0.000 1.050 751 K CA 1.114 57.438 56.287 0.062 0.000 0.938 751 K CB -0.169 32.364 32.500 0.054 0.000 0.718 751 K HN 0.415 nan 8.250 nan 0.000 0.442 752 L N -0.628 120.634 121.223 0.065 0.000 2.408 752 L HA 0.209 4.548 4.340 -0.001 0.000 0.215 752 L C 0.531 177.439 176.870 0.063 0.000 1.081 752 L CA 0.085 54.963 54.840 0.064 0.000 0.840 752 L CB 0.315 42.416 42.059 0.069 0.000 1.002 752 L HN 0.187 nan 8.230 nan 0.000 0.468 753 E N -0.363 119.879 120.200 0.070 0.000 2.321 753 E HA 0.393 4.742 4.350 -0.001 0.000 0.281 753 E C -1.495 175.153 176.600 0.079 0.000 0.910 753 E CA -0.225 56.218 56.400 0.071 0.000 0.770 753 E CB 2.132 31.873 29.700 0.068 0.000 1.225 753 E HN -0.132 nan 8.360 nan 0.000 0.417 754 S N 1.190 116.934 115.700 0.074 0.000 2.634 754 S HA 0.802 5.271 4.470 -0.001 0.000 0.296 754 S C -1.322 173.308 174.600 0.050 0.000 1.104 754 S CA -0.644 57.596 58.200 0.067 0.000 0.920 754 S CB 1.790 65.031 63.200 0.068 0.000 1.111 754 S HN 0.627 nan 8.310 nan 0.000 0.493 755 S N -0.151 115.555 115.700 0.010 0.000 2.565 755 S HA 0.737 5.207 4.470 -0.001 0.000 0.269 755 S C -1.720 172.796 174.600 -0.141 0.000 1.153 755 S CA -0.739 57.441 58.200 -0.032 0.000 0.835 755 S CB 1.038 64.242 63.200 0.005 0.000 1.122 755 S HN 0.458 nan 8.310 nan 0.000 0.462 756 V N 1.801 121.571 119.914 -0.240 0.000 2.487 756 V HA 0.760 4.880 4.120 -0.001 0.000 0.298 756 V C -0.482 175.486 176.094 -0.210 0.000 1.028 756 V CA -0.377 61.711 62.300 -0.353 0.000 0.860 756 V CB 1.631 32.931 31.823 -0.872 0.000 0.991 756 V HN 1.001 nan 8.190 nan 0.000 0.427 757 S N 3.079 118.711 115.700 -0.112 0.000 2.526 757 S HA 0.794 5.264 4.470 -0.001 0.000 0.293 757 S C -0.902 173.640 174.600 -0.097 0.000 1.092 757 S CA -0.626 57.516 58.200 -0.097 0.000 0.980 757 S CB 2.179 65.426 63.200 0.077 0.000 1.048 757 S HN 0.678 nan 8.310 nan 0.000 0.483 758 V N 1.907 121.644 119.914 -0.295 0.000 2.760 758 V HA 0.814 4.933 4.120 -0.001 0.000 0.309 758 V C -0.076 175.659 176.094 -0.597 0.000 1.077 758 V CA -0.417 61.719 62.300 -0.273 0.000 0.910 758 V CB 1.788 33.579 31.823 -0.054 0.000 1.008 758 V HN 1.001 nan 8.190 nan 0.000 0.424 759 G N 7.001 115.458 108.800 -0.571 0.000 2.546 759 G HA2 0.531 4.491 3.960 -0.001 0.000 0.320 759 G HA3 0.531 4.491 3.960 -0.001 0.000 0.320 759 G C -0.535 174.221 174.900 -0.240 0.000 0.984 759 G CA -0.327 44.470 45.100 -0.506 0.000 1.183 759 G HN 0.708 nan 8.290 nan 0.000 0.443 760 L N 2.706 123.762 121.223 -0.278 0.000 2.387 760 L HA 0.416 4.756 4.340 -0.001 0.000 0.266 760 L C -2.047 174.717 176.870 -0.176 0.000 1.059 760 L CA -2.375 52.335 54.840 -0.217 0.000 0.801 760 L CB 1.813 43.669 42.059 -0.337 0.000 1.223 760 L HN 0.199 nan 8.230 nan 0.000 0.456 761 P HA 0.098 nan 4.420 nan 0.000 0.267 761 P C 0.039 177.280 177.300 -0.097 0.000 1.209 761 P CA 0.336 63.395 63.100 -0.068 0.000 0.763 761 P CB 1.038 32.716 31.700 -0.037 0.000 0.816 762 S N -0.250 115.421 115.700 -0.049 0.000 2.929 762 S HA -0.114 4.356 4.470 -0.001 0.000 0.271 762 S C 0.215 174.749 174.600 -0.110 0.000 1.295 762 S CA 1.286 59.455 58.200 -0.052 0.000 1.277 762 S CB -1.548 61.628 63.200 -0.040 0.000 1.557 762 S HN 0.404 nan 8.310 nan 0.000 0.666 763 V N 1.226 121.016 119.914 -0.208 0.000 2.711 763 V HA 0.463 4.583 4.120 -0.001 0.000 0.304 763 V C -0.238 175.658 176.094 -0.330 0.000 1.097 763 V CA -0.814 61.313 62.300 -0.289 0.000 0.906 763 V CB 2.128 33.609 31.823 -0.570 0.000 1.015 763 V HN 0.096 nan 8.190 nan 0.000 0.427 764 V N 4.526 124.263 119.914 -0.294 0.000 2.368 764 V HA 0.319 4.439 4.120 -0.001 0.000 0.266 764 V C 0.137 176.037 176.094 -0.323 0.000 1.045 764 V CA -0.339 61.671 62.300 -0.483 0.000 0.899 764 V CB 0.767 32.206 31.823 -0.641 0.000 1.006 764 V HN 0.907 nan 8.190 nan 0.000 0.470 765 H N 5.909 124.729 119.070 -0.417 0.000 2.488 765 H HA 0.509 5.065 4.556 -0.001 0.000 0.322 765 H C -0.690 174.528 175.328 -0.183 0.000 1.078 765 H CA -0.480 55.423 56.048 -0.241 0.000 1.260 765 H CB 1.487 31.129 29.762 -0.199 0.000 1.425 765 H HN 0.710 nan 8.280 nan 0.000 0.471 766 Q N 4.154 123.655 119.800 -0.498 0.000 2.323 766 Q HA 0.294 4.633 4.340 -0.001 0.000 0.271 766 Q C -1.517 174.283 176.000 -0.335 0.000 1.048 766 Q CA -0.856 54.742 55.803 -0.342 0.000 0.792 766 Q CB 1.945 30.593 28.738 -0.150 0.000 1.280 766 Q HN 0.637 nan 8.270 nan 0.000 0.441 767 T N 4.954 119.393 114.554 -0.192 0.000 2.772 767 T HA 0.523 4.873 4.350 -0.001 0.000 0.288 767 T C -0.331 174.401 174.700 0.053 0.000 0.994 767 T CA -0.315 61.791 62.100 0.010 0.000 0.951 767 T CB 0.241 69.276 68.868 0.279 0.000 0.933 767 T HN 0.459 nan 8.240 nan 0.000 0.447 768 I N 3.707 124.320 120.570 0.072 0.000 2.404 768 I HA 0.494 4.663 4.170 -0.001 0.000 0.293 768 I C -0.199 175.975 176.117 0.094 0.000 0.992 768 I CA -0.786 60.556 61.300 0.069 0.000 1.149 768 I CB 1.719 39.749 38.000 0.051 0.000 1.315 768 I HN 0.387 nan 8.210 nan 0.000 0.446 769 M N 5.886 125.542 119.600 0.092 0.000 2.253 769 M HA 0.479 4.959 4.480 -0.001 0.000 0.314 769 M C 0.166 176.510 176.300 0.074 0.000 1.019 769 M CA -0.318 55.039 55.300 0.096 0.000 0.932 769 M CB 2.163 34.834 32.600 0.120 0.000 1.606 769 M HN 0.480 nan 8.290 nan 0.000 0.430 770 R N 1.097 121.634 120.500 0.062 0.000 2.572 770 R HA 0.361 4.701 4.340 -0.001 0.000 0.370 770 R C 0.804 177.133 176.300 0.049 0.000 1.005 770 R CA 0.250 56.381 56.100 0.051 0.000 1.146 770 R CB 1.126 31.449 30.300 0.038 0.000 1.390 770 R HN 1.135 nan 8.270 nan 0.000 0.553 771 G N -0.291 108.540 108.800 0.052 0.000 2.255 771 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.196 771 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.196 771 G C 0.269 175.192 174.900 0.038 0.000 0.998 771 G CA -0.405 44.722 45.100 0.045 0.000 0.656 771 G HN 0.524 nan 8.290 nan 0.000 0.490 772 G N -0.176 108.647 108.800 0.038 0.000 3.257 772 G HA2 0.807 4.766 3.960 -0.001 0.000 0.205 772 G HA3 0.807 4.766 3.960 -0.001 0.000 0.205 772 G C 0.399 175.320 174.900 0.035 0.000 1.234 772 G CA 0.420 45.538 45.100 0.029 0.000 0.918 772 G HN 1.531 nan 8.290 nan 0.000 0.602 773 A N 1.271 124.109 122.820 0.029 0.000 2.540 773 A HA 0.514 4.833 4.320 -0.001 0.000 0.239 773 A C -1.705 175.916 177.584 0.062 0.000 1.061 773 A CA -0.402 51.658 52.037 0.038 0.000 0.758 773 A CB -0.439 18.579 19.000 0.031 0.000 0.991 773 A HN 0.404 nan 8.150 nan 0.000 0.502 774 P HA 0.141 nan 4.420 nan 0.000 0.272 774 P C -0.490 176.882 177.300 0.119 0.000 1.240 774 P CA -0.183 62.984 63.100 0.112 0.000 0.791 774 P CB 0.633 32.424 31.700 0.151 0.000 0.978 775 E N 1.103 121.371 120.200 0.113 0.000 2.179 775 E HA 0.396 4.745 4.350 -0.001 0.000 0.275 775 E C -0.847 175.832 176.600 0.131 0.000 0.945 775 E CA -0.734 55.736 56.400 0.116 0.000 0.792 775 E CB 0.610 30.355 29.700 0.074 0.000 1.125 775 E HN 0.195 nan 8.360 nan 0.000 0.397 776 I N 4.129 124.810 120.570 0.185 0.000 2.404 776 I HA 0.406 4.576 4.170 -0.001 0.000 0.293 776 I C -0.020 176.219 176.117 0.204 0.000 0.992 776 I CA -0.610 60.781 61.300 0.152 0.000 1.149 776 I CB 1.258 39.363 38.000 0.174 0.000 1.315 776 I HN 0.574 nan 8.210 nan 0.000 0.446 777 R N 4.660 125.210 120.500 0.084 0.000 2.480 777 R HA 0.492 4.831 4.340 -0.001 0.000 0.306 777 R C -0.917 175.443 176.300 0.100 0.000 0.958 777 R CA -0.836 55.328 56.100 0.107 0.000 0.861 777 R CB 1.985 32.307 30.300 0.037 0.000 1.171 777 R HN 0.460 nan 8.270 nan 0.000 0.445 778 N N 2.618 121.437 118.700 0.199 0.000 2.407 778 N HA 0.209 4.949 4.740 -0.001 0.000 0.277 778 N C -1.271 174.268 175.510 0.048 0.000 0.995 778 N CA -0.701 52.444 53.050 0.159 0.000 0.903 778 N CB 1.928 40.613 38.487 0.330 0.000 1.218 778 N HN 0.325 nan 8.380 nan 0.000 0.487 779 L N 3.631 124.830 121.223 -0.040 0.000 2.268 779 L HA 0.384 4.723 4.340 -0.001 0.000 0.289 779 L C -1.021 175.806 176.870 -0.072 0.000 1.064 779 L CA -0.481 54.320 54.840 -0.064 0.000 0.824 779 L CB 0.530 42.552 42.059 -0.062 0.000 1.202 779 L HN 0.212 nan 8.230 nan 0.000 0.433 780 V N 4.543 124.409 119.914 -0.080 0.000 2.350 780 V HA 0.377 4.497 4.120 -0.001 0.000 0.276 780 V C -0.464 175.600 176.094 -0.049 0.000 1.028 780 V CA -0.481 61.786 62.300 -0.054 0.000 0.860 780 V CB 1.251 33.066 31.823 -0.014 0.000 0.990 780 V HN 0.688 nan 8.190 nan 0.000 0.453 781 D N 4.033 124.406 120.400 -0.045 0.000 2.375 781 D HA 0.261 4.901 4.640 -0.001 0.000 0.259 781 D C 0.559 176.839 176.300 -0.034 0.000 1.235 781 D CA -0.413 53.555 54.000 -0.054 0.000 0.924 781 D CB 1.346 42.080 40.800 -0.109 0.000 1.143 781 D HN 0.467 nan 8.370 nan 0.000 0.529 782 I N 2.353 122.920 120.570 -0.005 0.000 2.916 782 I HA 0.052 4.221 4.170 -0.001 0.000 0.267 782 I C 1.367 177.486 176.117 0.003 0.000 1.263 782 I CA 1.170 62.477 61.300 0.013 0.000 1.471 782 I CB -0.210 37.815 38.000 0.042 0.000 1.089 782 I HN 0.616 nan 8.210 nan 0.000 0.468 783 G N 0.822 109.612 108.800 -0.017 0.000 2.583 783 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.292 783 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.292 783 G C 0.563 175.460 174.900 -0.004 0.000 1.203 783 G CA 0.470 45.557 45.100 -0.023 0.000 0.987 783 G HN 0.713 nan 8.290 nan 0.000 0.554 784 S N -0.064 115.637 115.700 0.001 0.000 2.574 784 S HA 0.548 5.017 4.470 -0.001 0.000 0.242 784 S C 0.754 175.365 174.600 0.018 0.000 0.982 784 S CA 0.056 58.262 58.200 0.010 0.000 0.977 784 S CB 0.011 63.215 63.200 0.007 0.000 0.814 784 S HN 0.703 nan 8.310 nan 0.000 0.464 785 L N 2.961 124.197 121.223 0.022 0.000 2.536 785 L HA 0.298 4.638 4.340 -0.001 0.000 0.282 785 L C -0.346 176.546 176.870 0.037 0.000 1.174 785 L CA -0.320 54.538 54.840 0.029 0.000 0.989 785 L CB -0.511 41.568 42.059 0.033 0.000 1.311 785 L HN 0.146 nan 8.230 nan 0.000 0.455 786 D N 2.863 123.283 120.400 0.034 0.000 2.362 786 D HA 0.038 4.677 4.640 -0.001 0.000 0.242 786 D C 0.619 176.947 176.300 0.046 0.000 1.132 786 D CA 0.136 54.159 54.000 0.038 0.000 0.907 786 D CB 0.398 41.217 40.800 0.032 0.000 1.195 786 D HN 0.310 nan 8.370 nan 0.000 0.429 787 N N 0.503 119.233 118.700 0.051 0.000 2.714 787 N HA -0.173 4.567 4.740 -0.001 0.000 0.253 787 N C -0.990 174.566 175.510 0.077 0.000 1.024 787 N CA 0.838 53.924 53.050 0.060 0.000 0.726 787 N CB -1.127 37.389 38.487 0.049 0.000 0.908 787 N HN 0.288 nan 8.380 nan 0.000 0.542 788 T N 0.457 115.062 114.554 0.084 0.000 2.916 788 T HA 0.414 4.764 4.350 -0.001 0.000 0.298 788 T C -0.320 174.451 174.700 0.119 0.000 1.031 788 T CA -0.720 61.441 62.100 0.103 0.000 0.993 788 T CB 2.311 71.227 68.868 0.080 0.000 1.045 788 T HN 0.032 nan 8.240 nan 0.000 0.454 789 E N 2.434 122.734 120.200 0.167 0.000 2.199 789 E HA 0.452 4.801 4.350 -0.001 0.000 0.265 789 E C -0.769 175.954 176.600 0.205 0.000 0.882 789 E CA -0.648 55.849 56.400 0.162 0.000 0.759 789 E CB 2.335 32.110 29.700 0.125 0.000 1.148 789 E HN 0.485 nan 8.360 nan 0.000 0.412 790 I N 2.824 123.499 120.570 0.176 0.000 2.315 790 I HA 0.224 4.394 4.170 -0.001 0.000 0.291 790 I C -0.252 176.003 176.117 0.230 0.000 1.006 790 I CA -0.777 60.639 61.300 0.194 0.000 1.265 790 I CB 1.399 39.506 38.000 0.178 0.000 1.387 790 I HN 0.194 nan 8.210 nan 0.000 0.475 791 V N 8.126 128.173 119.914 0.223 0.000 2.628 791 V HA 0.488 4.608 4.120 -0.001 0.000 0.306 791 V C -0.406 175.711 176.094 0.037 0.000 1.045 791 V CA -0.728 61.684 62.300 0.185 0.000 0.905 791 V CB 1.998 33.989 31.823 0.280 0.000 0.997 791 V HN 0.750 nan 8.190 nan 0.000 0.436 792 M N 7.393 126.936 119.600 -0.096 0.000 2.088 792 M HA 0.554 5.034 4.480 -0.001 0.000 0.346 792 M C -0.530 175.607 176.300 -0.271 0.000 1.111 792 M CA -0.401 54.605 55.300 -0.490 0.000 1.017 792 M CB 0.496 32.773 32.600 -0.539 0.000 1.568 792 M HN 0.745 nan 8.290 nan 0.000 0.445 793 R N 4.714 125.045 120.500 -0.281 0.000 2.589 793 R HA 0.691 5.031 4.340 -0.001 0.000 0.293 793 R C -1.908 174.290 176.300 -0.170 0.000 0.963 793 R CA -0.628 55.374 56.100 -0.164 0.000 0.905 793 R CB 1.459 31.679 30.300 -0.132 0.000 1.144 793 R HN 0.808 nan 8.270 nan 0.000 0.459 794 L N 3.338 124.443 121.223 -0.197 0.000 2.296 794 L HA 0.416 4.756 4.340 -0.001 0.000 0.286 794 L C -0.498 176.242 176.870 -0.217 0.000 1.023 794 L CA -0.390 54.260 54.840 -0.318 0.000 0.812 794 L CB 1.896 43.723 42.059 -0.387 0.000 1.223 794 L HN 0.606 nan 8.230 nan 0.000 0.421 795 E N 2.188 122.269 120.200 -0.199 0.000 2.145 795 E HA 0.488 4.838 4.350 -0.001 0.000 0.270 795 E C -0.595 175.876 176.600 -0.214 0.000 0.906 795 E CA -0.467 55.848 56.400 -0.142 0.000 0.761 795 E CB 2.135 31.804 29.700 -0.053 0.000 1.116 795 E HN 0.615 nan 8.360 nan 0.000 0.408 796 T N -0.705 113.707 114.554 -0.236 0.000 2.831 796 T HA 0.355 4.705 4.350 -0.001 0.000 0.287 796 T C 0.004 174.507 174.700 -0.329 0.000 1.070 796 T CA -0.704 61.191 62.100 -0.341 0.000 1.010 796 T CB 0.984 69.736 68.868 -0.194 0.000 1.264 796 T HN 0.552 nan 8.240 nan 0.000 0.532 797 H N -0.550 118.509 119.070 -0.019 0.000 2.505 797 H HA 0.469 5.025 4.556 -0.001 0.000 0.286 797 H C 0.183 175.509 175.328 -0.004 0.000 1.072 797 H CA -0.571 55.471 56.048 -0.010 0.000 1.141 797 H CB -0.205 29.551 29.762 -0.010 0.000 1.550 797 H HN 0.363 nan 8.280 nan 0.000 0.547 798 I N 1.885 122.484 120.570 0.047 0.000 2.752 798 I HA -0.137 4.033 4.170 -0.001 0.000 0.289 798 I C 0.443 176.592 176.117 0.054 0.000 1.197 798 I CA 0.423 61.749 61.300 0.044 0.000 1.432 798 I CB 0.396 38.411 38.000 0.024 0.000 1.359 798 I HN 0.261 nan 8.210 nan 0.000 0.571 799 D N 4.755 125.189 120.400 0.057 0.000 2.713 799 D HA 0.038 4.677 4.640 -0.001 0.000 0.229 799 D C 1.235 177.574 176.300 0.063 0.000 1.136 799 D CA -0.032 54.002 54.000 0.056 0.000 1.010 799 D CB 0.352 41.180 40.800 0.048 0.000 1.084 799 D HN 0.542 nan 8.370 nan 0.000 0.495 800 S N 0.400 116.142 115.700 0.069 0.000 2.496 800 S HA 0.238 4.707 4.470 -0.001 0.000 0.224 800 S C 1.596 176.246 174.600 0.083 0.000 0.996 800 S CA 0.279 58.534 58.200 0.091 0.000 0.927 800 S CB -0.190 63.073 63.200 0.106 0.000 0.774 800 S HN 0.537 nan 8.310 nan 0.000 0.524 801 G N 3.168 112.007 108.800 0.064 0.000 2.565 801 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.295 801 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.295 801 G C 0.110 175.051 174.900 0.068 0.000 1.165 801 G CA 0.538 45.673 45.100 0.058 0.000 0.977 801 G HN 0.755 nan 8.290 nan 0.000 0.546 802 D N 0.194 120.638 120.400 0.074 0.000 2.402 802 D HA 0.350 4.990 4.640 -0.001 0.000 0.216 802 D C 0.696 177.076 176.300 0.133 0.000 1.128 802 D CA -0.201 53.859 54.000 0.101 0.000 0.833 802 D CB 0.268 41.114 40.800 0.075 0.000 0.971 802 D HN 0.442 nan 8.370 nan 0.000 0.503 803 I N 1.450 122.083 120.570 0.106 0.000 2.460 803 I HA 0.498 4.667 4.170 -0.001 0.000 0.298 803 I C -0.099 176.106 176.117 0.147 0.000 0.989 803 I CA -1.141 60.170 61.300 0.018 0.000 1.173 803 I CB 0.677 38.659 38.000 -0.029 0.000 1.338 803 I HN 0.012 nan 8.210 nan 0.000 0.456 804 F N 4.107 123.882 119.950 -0.291 0.000 2.711 804 F HA 0.684 5.210 4.527 -0.000 0.000 0.313 804 F C -2.044 173.403 175.800 -0.588 0.000 1.141 804 F CA -1.162 56.688 58.000 -0.250 0.000 0.941 804 F CB 1.569 40.492 39.000 -0.130 0.000 1.349 804 F HN 0.167 nan 8.300 nan 0.000 0.464 805 Y N 0.208 120.289 120.300 -0.364 0.000 2.425 805 Y HA 0.670 5.219 4.550 -0.001 0.000 0.344 805 Y C -0.052 175.678 175.900 -0.283 0.000 0.969 805 Y CA -0.762 56.983 58.100 -0.592 0.000 1.052 805 Y CB 2.458 40.140 38.460 -1.297 0.000 1.215 805 Y HN 0.861 nan 8.280 nan 0.000 0.451 806 T N -1.270 113.212 114.554 -0.120 0.000 2.906 806 T HA 0.474 4.823 4.350 -0.001 0.000 0.295 806 T C -1.028 173.495 174.700 -0.295 0.000 1.075 806 T CA -1.078 60.972 62.100 -0.082 0.000 1.005 806 T CB 2.004 70.800 68.868 -0.120 0.000 1.136 806 T HN 0.584 nan 8.240 nan 0.000 0.498 807 D N 1.226 121.298 120.400 -0.546 0.000 2.340 807 D HA 0.341 4.980 4.640 -0.001 0.000 0.251 807 D C -0.590 175.445 176.300 -0.442 0.000 1.080 807 D CA -0.789 52.707 54.000 -0.840 0.000 0.971 807 D CB 1.217 41.282 40.800 -1.225 0.000 1.137 807 D HN 0.554 nan 8.370 nan 0.000 0.475 808 L N 1.352 122.355 121.223 -0.367 0.000 2.316 808 L HA 0.242 4.582 4.340 -0.001 0.000 0.280 808 L C 0.290 177.039 176.870 -0.202 0.000 1.006 808 L CA -0.772 53.945 54.840 -0.205 0.000 0.836 808 L CB 0.573 42.572 42.059 -0.100 0.000 1.221 808 L HN 0.418 nan 8.230 nan 0.000 0.418 809 N N 2.863 121.452 118.700 -0.185 0.000 2.714 809 N HA -0.231 4.509 4.740 -0.001 0.000 0.250 809 N C 1.021 176.328 175.510 -0.338 0.000 1.117 809 N CA 0.926 53.866 53.050 -0.184 0.000 0.719 809 N CB -0.851 37.602 38.487 -0.056 0.000 1.081 809 N HN 1.128 nan 8.380 nan 0.000 0.557 810 G N -0.689 107.914 108.800 -0.328 0.000 2.168 810 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.263 810 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.263 810 G C 0.638 175.512 174.900 -0.044 0.000 0.977 810 G CA 0.776 45.709 45.100 -0.279 0.000 0.659 810 G HN 0.468 nan 8.290 nan 0.000 0.533 811 L N -0.295 120.841 121.223 -0.145 0.000 2.500 811 L HA 0.501 4.840 4.340 -0.001 0.000 0.219 811 L C 0.962 177.708 176.870 -0.206 0.000 1.057 811 L CA 1.902 56.568 54.840 -0.289 0.000 0.854 811 L CB 0.166 41.894 42.059 -0.551 0.000 1.078 811 L HN 0.710 nan 8.230 nan 0.000 0.480 812 Q N -1.878 117.806 119.800 -0.194 0.000 2.522 812 Q HA 0.348 4.687 4.340 -0.001 0.000 0.285 812 Q C -1.683 174.191 176.000 -0.209 0.000 0.982 812 Q CA -0.743 55.009 55.803 -0.085 0.000 0.805 812 Q CB 1.037 29.782 28.738 0.012 0.000 1.457 812 Q HN -0.049 nan 8.270 nan 0.000 0.394 813 F N 1.279 121.185 119.950 -0.073 0.000 2.436 813 F HA 0.610 5.137 4.527 -0.001 0.000 0.340 813 F C -0.170 175.591 175.800 -0.065 0.000 1.113 813 F CA -0.815 57.153 58.000 -0.053 0.000 1.022 813 F CB 1.690 40.703 39.000 0.021 0.000 1.128 813 F HN 0.537 nan 8.300 nan 0.000 0.466 814 I N 3.669 124.234 120.570 -0.008 0.000 2.530 814 I HA 0.350 4.520 4.170 -0.001 0.000 0.297 814 I C -0.564 175.405 176.117 -0.245 0.000 1.011 814 I CA -0.884 60.364 61.300 -0.087 0.000 1.107 814 I CB 1.379 39.281 38.000 -0.163 0.000 1.285 814 I HN 0.503 nan 8.210 nan 0.000 0.436 815 K N 6.528 126.734 120.400 -0.324 0.000 2.368 815 K HA 0.298 4.618 4.320 -0.001 0.000 0.282 815 K C -0.871 175.280 176.600 -0.749 0.000 1.035 815 K CA -0.415 55.407 56.287 -0.775 0.000 0.973 815 K CB 0.550 32.736 32.500 -0.522 0.000 0.957 815 K HN 0.508 nan 8.250 nan 0.000 0.474 816 R N 3.146 123.029 120.500 -1.028 0.000 2.664 816 R HA 0.364 4.703 4.340 -0.001 0.000 0.286 816 R C -0.544 175.273 176.300 -0.804 0.000 0.967 816 R CA -0.799 54.634 56.100 -1.111 0.000 0.933 816 R CB 1.567 30.656 30.300 -2.018 0.000 1.146 816 R HN 0.671 nan 8.270 nan 0.000 0.468 817 R N 1.487 121.714 120.500 -0.454 0.000 2.476 817 R HA 0.285 4.625 4.340 -0.001 0.000 0.305 817 R C -0.524 175.812 176.300 0.060 0.000 0.965 817 R CA -0.661 55.349 56.100 -0.149 0.000 0.867 817 R CB 1.555 31.807 30.300 -0.079 0.000 1.176 817 R HN 0.548 nan 8.270 nan 0.000 0.447 818 R N 4.893 125.535 120.500 0.237 0.000 2.522 818 R HA 0.114 4.453 4.340 -0.001 0.000 0.284 818 R C -0.957 175.426 176.300 0.138 0.000 1.032 818 R CA 0.255 56.527 56.100 0.287 0.000 1.049 818 R CB 0.394 30.850 30.300 0.260 0.000 0.956 818 R HN 0.534 nan 8.270 nan 0.000 0.422 819 L N 4.992 126.275 121.223 0.100 0.000 2.342 819 L HA 0.227 4.567 4.340 -0.001 0.000 0.276 819 L C 0.134 176.997 176.870 -0.013 0.000 0.997 819 L CA -0.687 54.168 54.840 0.025 0.000 0.838 819 L CB 1.976 44.020 42.059 -0.025 0.000 1.224 819 L HN 0.650 nan 8.230 nan 0.000 0.416 820 D N 1.608 122.009 120.400 0.001 0.000 2.371 820 D HA -0.108 4.532 4.640 -0.001 0.000 0.221 820 D C 1.666 177.949 176.300 -0.028 0.000 0.986 820 D CA 0.760 54.755 54.000 -0.008 0.000 0.899 820 D CB 0.372 41.177 40.800 0.009 0.000 0.902 820 D HN 0.564 nan 8.370 nan 0.000 0.530 821 K N 0.153 120.528 120.400 -0.043 0.000 2.486 821 K HA 0.040 4.360 4.320 -0.001 0.000 0.194 821 K C 0.659 177.196 176.600 -0.105 0.000 1.033 821 K CA 0.284 56.543 56.287 -0.047 0.000 1.004 821 K CB 0.384 32.871 32.500 -0.022 0.000 0.798 821 K HN 0.087 nan 8.250 nan 0.000 0.495 822 L N 2.269 123.391 121.223 -0.168 0.000 2.322 822 L HA 0.473 4.812 4.340 -0.001 0.000 0.269 822 L C -2.251 174.512 176.870 -0.180 0.000 1.012 822 L CA -2.936 51.762 54.840 -0.237 0.000 0.815 822 L CB 1.483 43.300 42.059 -0.405 0.000 1.295 822 L HN -0.042 nan 8.230 nan 0.000 0.438 823 P HA 0.025 nan 4.420 nan 0.000 0.272 823 P C 0.847 178.021 177.300 -0.210 0.000 1.240 823 P CA -0.371 62.631 63.100 -0.163 0.000 0.791 823 P CB 1.269 32.899 31.700 -0.116 0.000 0.978 824 L N 0.976 122.104 121.223 -0.157 0.000 2.021 824 L HA -0.280 4.060 4.340 -0.001 0.000 0.215 824 L C 2.522 179.299 176.870 -0.155 0.000 1.074 824 L CA 1.947 56.716 54.840 -0.118 0.000 0.760 824 L CB -0.633 41.356 42.059 -0.118 0.000 0.889 824 L HN 0.441 nan 8.230 nan 0.000 0.433 825 Q N -0.318 119.284 119.800 -0.330 0.000 2.291 825 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 825 Q C 1.868 177.762 176.000 -0.177 0.000 0.976 825 Q CA 1.495 57.140 55.803 -0.263 0.000 0.875 825 Q CB -0.517 27.995 28.738 -0.377 0.000 0.927 825 Q HN 0.608 nan 8.270 nan 0.000 0.450 826 A N 1.482 123.977 122.820 -0.541 0.000 2.067 826 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 826 A C 1.642 179.038 177.584 -0.313 0.000 1.156 826 A CA 0.757 52.317 52.037 -0.795 0.000 0.683 826 A CB -0.203 17.969 19.000 -1.380 0.000 0.808 826 A HN 0.355 nan 8.150 nan 0.000 0.455 827 N N -1.172 117.459 118.700 -0.115 0.000 2.398 827 N HA 0.045 4.784 4.740 -0.001 0.000 0.188 827 N C -0.839 174.760 175.510 0.149 0.000 1.122 827 N CA 0.228 53.326 53.050 0.081 0.000 0.866 827 N CB 0.062 38.648 38.487 0.164 0.000 0.970 827 N HN 0.450 nan 8.380 nan 0.000 0.462 828 Y N 0.315 120.566 120.300 -0.083 0.000 2.304 828 Y HA 0.214 4.763 4.550 -0.001 0.000 0.328 828 Y C -0.162 175.671 175.900 -0.111 0.000 1.123 828 Y CA -0.222 57.910 58.100 0.053 0.000 1.218 828 Y CB 0.365 38.931 38.460 0.177 0.000 1.207 828 Y HN -0.071 nan 8.280 nan 0.000 0.495 829 Y N 3.302 123.731 120.300 0.216 0.000 2.605 829 Y HA 0.466 5.016 4.550 -0.001 0.000 0.343 829 Y C -2.290 173.308 175.900 -0.503 0.000 1.036 829 Y CA -2.888 55.187 58.100 -0.043 0.000 1.065 829 Y CB 1.552 39.987 38.460 -0.043 0.000 1.288 829 Y HN 0.442 nan 8.280 nan 0.000 0.481 830 P HA 0.137 nan 4.420 nan 0.000 0.271 830 P C -0.723 176.335 177.300 -0.403 0.000 1.216 830 P CA 0.159 62.678 63.100 -0.969 0.000 0.776 830 P CB 0.594 31.619 31.700 -1.126 0.000 0.881 831 I N 4.978 125.395 120.570 -0.255 0.000 2.620 831 I HA 0.172 4.342 4.170 -0.001 0.000 0.280 831 I C -1.690 174.357 176.117 -0.117 0.000 1.143 831 I CA -2.531 58.692 61.300 -0.129 0.000 1.163 831 I CB 0.783 38.764 38.000 -0.032 0.000 1.461 831 I HN 0.204 nan 8.210 nan 0.000 0.530 832 P HA -0.050 nan 4.420 nan 0.000 0.221 832 P C 1.007 178.278 177.300 -0.049 0.000 1.150 832 P CA 1.171 64.201 63.100 -0.117 0.000 0.800 832 P CB 0.602 32.205 31.700 -0.162 0.000 0.787 833 S N -3.499 112.178 115.700 -0.039 0.000 2.551 833 S HA 0.470 4.940 4.470 -0.001 0.000 0.276 833 S C 0.566 175.255 174.600 0.149 0.000 1.051 833 S CA 0.309 58.543 58.200 0.055 0.000 1.377 833 S CB 0.350 63.605 63.200 0.092 0.000 1.208 833 S HN 0.334 nan 8.310 nan 0.000 0.656 834 G N 1.534 110.428 108.800 0.157 0.000 2.368 834 G HA2 0.548 4.508 3.960 -0.001 0.000 0.293 834 G HA3 0.548 4.508 3.960 -0.001 0.000 0.293 834 G C -1.497 173.655 174.900 0.420 0.000 1.467 834 G CA -0.434 44.880 45.100 0.356 0.000 0.804 834 G HN 0.875 nan 8.290 nan 0.000 0.535 835 M N -0.644 119.219 119.600 0.439 0.000 2.578 835 M HA 0.896 5.375 4.480 -0.001 0.000 0.276 835 M C -1.685 174.855 176.300 0.401 0.000 1.245 835 M CA -1.030 54.491 55.300 0.367 0.000 0.871 835 M CB 2.545 35.268 32.600 0.205 0.000 1.722 835 M HN 1.231 nan 8.290 nan 0.000 0.473 836 F N 0.772 120.861 119.950 0.232 0.000 2.693 836 F HA 0.896 5.423 4.527 -0.001 0.000 0.309 836 F C -1.820 174.107 175.800 0.212 0.000 1.129 836 F CA -1.198 56.876 58.000 0.123 0.000 0.948 836 F CB 1.091 40.077 39.000 -0.023 0.000 1.315 836 F HN 0.788 nan 8.300 nan 0.000 0.447 837 I N -0.144 120.663 120.570 0.395 0.000 2.785 837 I HA 0.899 5.069 4.170 -0.001 0.000 0.302 837 I C -1.384 174.913 176.117 0.300 0.000 1.069 837 I CA -0.885 60.606 61.300 0.319 0.000 1.045 837 I CB 2.424 40.524 38.000 0.166 0.000 1.236 837 I HN 0.952 nan 8.210 nan 0.000 0.429 838 E N 2.051 122.412 120.200 0.269 0.000 2.423 838 E HA 0.543 4.893 4.350 -0.001 0.000 0.280 838 E C -2.062 174.619 176.600 0.134 0.000 1.030 838 E CA -0.843 55.658 56.400 0.168 0.000 0.812 838 E CB 2.196 31.984 29.700 0.147 0.000 1.313 838 E HN 0.741 nan 8.360 nan 0.000 0.456 839 D N 0.513 120.962 120.400 0.081 0.000 2.784 839 D HA 0.460 5.100 4.640 -0.001 0.000 0.256 839 D C 0.873 177.201 176.300 0.047 0.000 1.129 839 D CA -0.181 53.860 54.000 0.068 0.000 1.102 839 D CB 0.017 40.850 40.800 0.055 0.000 1.330 839 D HN 0.450 nan 8.370 nan 0.000 0.626 840 A N -0.757 122.085 122.820 0.036 0.000 2.019 840 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 840 A C 1.471 179.059 177.584 0.007 0.000 1.164 840 A CA 1.502 53.552 52.037 0.022 0.000 0.644 840 A CB -0.713 18.299 19.000 0.019 0.000 0.805 840 A HN 0.511 nan 8.150 nan 0.000 0.449 841 N N -1.786 116.917 118.700 0.005 0.000 2.397 841 N HA 0.073 4.812 4.740 -0.001 0.000 0.190 841 N C -0.396 175.103 175.510 -0.018 0.000 1.099 841 N CA 0.711 53.756 53.050 -0.008 0.000 0.876 841 N CB 0.667 39.151 38.487 -0.004 0.000 1.143 841 N HN 0.296 nan 8.380 nan 0.000 0.468 842 T N 0.508 115.056 114.554 -0.010 0.000 2.900 842 T HA 0.466 4.815 4.350 -0.001 0.000 0.295 842 T C -0.646 174.044 174.700 -0.017 0.000 1.044 842 T CA -0.644 61.444 62.100 -0.020 0.000 0.995 842 T CB 2.886 71.749 68.868 -0.010 0.000 1.072 842 T HN -0.047 nan 8.240 nan 0.000 0.473 843 R N 1.798 122.271 120.500 -0.046 0.000 2.686 843 R HA 0.716 5.056 4.340 -0.001 0.000 0.283 843 R C -2.016 174.254 176.300 -0.050 0.000 0.978 843 R CA -0.882 55.189 56.100 -0.048 0.000 0.897 843 R CB 1.309 31.514 30.300 -0.157 0.000 1.192 843 R HN 0.448 nan 8.270 nan 0.000 0.457 844 L N 2.790 124.013 121.223 -0.002 0.000 2.343 844 L HA 0.500 4.840 4.340 -0.001 0.000 0.278 844 L C -1.309 175.591 176.870 0.050 0.000 0.996 844 L CA 0.088 54.920 54.840 -0.013 0.000 0.831 844 L CB 2.211 44.250 42.059 -0.034 0.000 1.232 844 L HN 0.637 nan 8.230 nan 0.000 0.413 845 T N 5.692 120.255 114.554 0.015 0.000 2.807 845 T HA 0.561 4.911 4.350 -0.001 0.000 0.279 845 T C -1.022 173.735 174.700 0.094 0.000 0.993 845 T CA -0.271 61.878 62.100 0.082 0.000 0.970 845 T CB 1.387 70.230 68.868 -0.042 0.000 0.950 845 T HN 0.455 nan 8.240 nan 0.000 0.441 846 L N 5.154 126.469 121.223 0.154 0.000 2.298 846 L HA 0.534 4.874 4.340 -0.001 0.000 0.284 846 L C -1.288 175.722 176.870 0.233 0.000 1.013 846 L CA -0.706 54.235 54.840 0.169 0.000 0.824 846 L CB 0.527 42.665 42.059 0.132 0.000 1.221 846 L HN 0.405 nan 8.230 nan 0.000 0.418 847 L N 3.943 125.305 121.223 0.233 0.000 2.325 847 L HA 0.630 4.970 4.340 -0.001 0.000 0.279 847 L C 0.525 177.540 176.870 0.242 0.000 1.054 847 L CA -0.226 54.750 54.840 0.226 0.000 0.804 847 L CB 1.389 43.547 42.059 0.166 0.000 1.200 847 L HN 0.772 nan 8.230 nan 0.000 0.436 848 T N -2.231 112.421 114.554 0.163 0.000 2.887 848 T HA 0.603 4.952 4.350 -0.001 0.000 0.288 848 T C 0.708 175.370 174.700 -0.064 0.000 1.021 848 T CA -0.309 61.806 62.100 0.025 0.000 1.000 848 T CB 1.916 70.808 68.868 0.040 0.000 1.034 848 T HN 0.676 nan 8.240 nan 0.000 0.467 849 G N 1.329 110.014 108.800 -0.191 0.000 3.284 849 G HA2 0.405 4.365 3.960 -0.001 0.000 0.236 849 G HA3 0.405 4.365 3.960 -0.001 0.000 0.236 849 G C 0.207 175.037 174.900 -0.116 0.000 1.158 849 G CA -0.274 44.744 45.100 -0.137 0.000 0.774 849 G HN 0.966 nan 8.290 nan 0.000 0.545 850 Q N -0.237 119.491 119.800 -0.119 0.000 2.479 850 Q HA 0.316 4.656 4.340 -0.001 0.000 0.276 850 Q C -3.537 172.424 176.000 -0.064 0.000 0.989 850 Q CA -2.288 53.471 55.803 -0.073 0.000 0.864 850 Q CB 1.832 30.543 28.738 -0.044 0.000 1.444 850 Q HN -0.009 nan 8.270 nan 0.000 0.388 851 P HA 0.489 nan 4.420 nan 0.000 0.281 851 P C -0.717 176.568 177.300 -0.024 0.000 1.252 851 P CA -0.192 62.889 63.100 -0.031 0.000 0.778 851 P CB 1.034 32.721 31.700 -0.022 0.000 0.895 852 L N 1.625 122.829 121.223 -0.031 0.000 2.491 852 L HA 0.672 5.011 4.340 -0.001 0.000 0.254 852 L C 0.720 177.605 176.870 0.025 0.000 1.048 852 L CA -1.125 53.719 54.840 0.006 0.000 0.855 852 L CB 2.150 44.200 42.059 -0.016 0.000 1.466 852 L HN 0.346 nan 8.230 nan 0.000 0.409 853 G N -0.911 107.958 108.800 0.115 0.000 2.425 853 G HA2 0.680 4.640 3.960 -0.001 0.000 0.302 853 G HA3 0.680 4.640 3.960 -0.001 0.000 0.302 853 G C -0.498 174.419 174.900 0.030 0.000 1.159 853 G CA 0.092 45.306 45.100 0.191 0.000 0.865 853 G HN 0.867 nan 8.290 nan 0.000 0.515 854 G N -1.428 107.213 108.800 -0.264 0.000 2.600 854 G HA2 0.691 4.651 3.960 -0.001 0.000 0.293 854 G HA3 0.691 4.651 3.960 -0.001 0.000 0.293 854 G C -1.158 173.301 174.900 -0.736 0.000 1.408 854 G CA 0.433 45.190 45.100 -0.573 0.000 0.782 854 G HN 1.295 nan 8.290 nan 0.000 0.482 855 S N -1.932 113.396 115.700 -0.620 0.000 2.683 855 S HA 0.711 5.180 4.470 -0.001 0.000 0.269 855 S C -1.589 172.570 174.600 -0.736 0.000 1.165 855 S CA 0.362 58.197 58.200 -0.609 0.000 0.840 855 S CB 1.233 64.139 63.200 -0.490 0.000 1.169 855 S HN 1.591 nan 8.310 nan 0.000 0.490 856 S N 1.627 116.615 115.700 -1.186 0.000 2.664 856 S HA 0.471 4.940 4.470 -0.001 0.000 0.262 856 S C 0.130 174.480 174.600 -0.417 0.000 1.229 856 S CA -0.630 57.126 58.200 -0.739 0.000 1.151 856 S CB -0.071 62.626 63.200 -0.839 0.000 1.054 856 S HN 0.573 nan 8.310 nan 0.000 0.483 857 L N 3.060 124.176 121.223 -0.179 0.000 2.591 857 L HA 0.487 4.827 4.340 -0.001 0.000 0.228 857 L C 0.863 177.722 176.870 -0.018 0.000 1.133 857 L CA 0.286 55.100 54.840 -0.043 0.000 0.880 857 L CB -0.074 42.017 42.059 0.053 0.000 1.033 857 L HN 0.701 nan 8.230 nan 0.000 0.450 858 A N -1.267 121.528 122.820 -0.041 0.000 2.605 858 A HA 0.442 4.762 4.320 -0.001 0.000 0.294 858 A C -0.474 177.101 177.584 -0.015 0.000 1.062 858 A CA -0.455 51.575 52.037 -0.011 0.000 0.682 858 A CB 1.147 20.147 19.000 -0.000 0.000 1.278 858 A HN -0.145 nan 8.150 nan 0.000 0.410 859 S N -0.124 115.582 115.700 0.010 0.000 2.558 859 S HA 0.403 4.873 4.470 -0.001 0.000 0.293 859 S C 1.536 176.141 174.600 0.008 0.000 1.292 859 S CA 1.898 60.110 58.200 0.020 0.000 1.063 859 S CB -0.028 63.193 63.200 0.035 0.000 0.831 859 S HN 2.663 nan 8.310 nan 0.000 0.499 860 G N 3.408 112.212 108.800 0.006 0.000 2.179 860 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 860 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 860 G C -0.150 174.715 174.900 -0.057 0.000 0.977 860 G CA 0.500 45.590 45.100 -0.016 0.000 0.641 860 G HN 0.717 nan 8.290 nan 0.000 0.533 861 E N -0.504 119.657 120.200 -0.066 0.000 2.212 861 E HA 0.779 5.128 4.350 -0.001 0.000 0.270 861 E C -0.186 176.337 176.600 -0.129 0.000 0.956 861 E CA -0.742 55.599 56.400 -0.099 0.000 0.825 861 E CB 1.796 31.441 29.700 -0.091 0.000 1.167 861 E HN 0.242 nan 8.360 nan 0.000 0.400 862 L N 1.616 122.757 121.223 -0.136 0.000 2.388 862 L HA 0.480 4.819 4.340 -0.001 0.000 0.264 862 L C -0.657 176.132 176.870 -0.136 0.000 0.998 862 L CA -0.651 54.101 54.840 -0.146 0.000 0.817 862 L CB 2.065 44.069 42.059 -0.092 0.000 1.338 862 L HN 0.670 nan 8.230 nan 0.000 0.414 863 E N 2.711 122.825 120.200 -0.144 0.000 2.390 863 E HA 0.703 5.053 4.350 -0.001 0.000 0.277 863 E C -1.553 174.992 176.600 -0.091 0.000 0.939 863 E CA -0.841 55.506 56.400 -0.088 0.000 0.769 863 E CB 3.356 33.050 29.700 -0.010 0.000 1.251 863 E HN 0.529 nan 8.360 nan 0.000 0.450 864 I N 2.089 122.642 120.570 -0.028 0.000 2.607 864 I HA 0.328 4.498 4.170 -0.001 0.000 0.290 864 I C -1.381 174.793 176.117 0.096 0.000 1.129 864 I CA -1.151 60.156 61.300 0.011 0.000 1.042 864 I CB 1.960 39.969 38.000 0.015 0.000 1.242 864 I HN 0.777 nan 8.210 nan 0.000 0.421 865 M N 6.206 125.901 119.600 0.157 0.000 2.238 865 M HA 0.211 4.691 4.480 -0.001 0.000 0.347 865 M C 0.563 176.960 176.300 0.161 0.000 1.173 865 M CA 0.659 56.062 55.300 0.172 0.000 1.147 865 M CB 0.898 33.577 32.600 0.131 0.000 1.547 865 M HN 0.579 nan 8.290 nan 0.000 0.455 866 Q N 1.350 121.281 119.800 0.218 0.000 2.387 866 Q HA 0.265 4.605 4.340 -0.001 0.000 0.208 866 Q C -0.274 175.934 176.000 0.347 0.000 0.935 866 Q CA 0.798 56.798 55.803 0.329 0.000 0.891 866 Q CB 0.410 29.375 28.738 0.378 0.000 1.007 866 Q HN 0.763 nan 8.270 nan 0.000 0.548 867 D N -0.868 119.669 120.400 0.228 0.000 2.671 867 D HA 0.303 4.943 4.640 -0.001 0.000 0.273 867 D C -1.427 174.948 176.300 0.124 0.000 1.264 867 D CA -0.480 53.631 54.000 0.185 0.000 0.788 867 D CB 1.492 42.392 40.800 0.168 0.000 1.324 867 D HN 0.041 nan 8.370 nan 0.000 0.424 868 R N 0.771 121.333 120.500 0.103 0.000 2.584 868 R HA 0.673 5.012 4.340 -0.001 0.000 0.276 868 R C -1.113 175.233 176.300 0.078 0.000 1.046 868 R CA -1.050 55.095 56.100 0.075 0.000 0.906 868 R CB 2.077 32.393 30.300 0.027 0.000 1.215 868 R HN 0.324 nan 8.270 nan 0.000 0.449 869 R N 3.776 124.319 120.500 0.072 0.000 2.483 869 R HA 0.475 4.814 4.340 -0.001 0.000 0.303 869 R C -1.494 174.843 176.300 0.060 0.000 0.987 869 R CA -0.577 55.562 56.100 0.065 0.000 0.881 869 R CB 1.302 31.638 30.300 0.058 0.000 1.177 869 R HN 0.714 nan 8.270 nan 0.000 0.451 870 L N 3.828 125.084 121.223 0.056 0.000 2.381 870 L HA 0.534 4.874 4.340 -0.001 0.000 0.274 870 L C 0.704 177.601 176.870 0.045 0.000 0.988 870 L CA -0.556 54.315 54.840 0.052 0.000 0.824 870 L CB 2.165 44.255 42.059 0.052 0.000 1.263 870 L HN 0.805 nan 8.230 nan 0.000 0.410 871 A N 1.512 124.356 122.820 0.040 0.000 2.072 871 A HA 0.171 4.490 4.320 -0.001 0.000 0.216 871 A C 0.940 178.542 177.584 0.031 0.000 1.156 871 A CA 0.553 52.611 52.037 0.034 0.000 0.701 871 A CB 0.040 19.058 19.000 0.029 0.000 0.816 871 A HN 0.607 nan 8.150 nan 0.000 0.458 872 S N 0.037 115.756 115.700 0.031 0.000 2.608 872 S HA 0.409 4.878 4.470 -0.001 0.000 0.291 872 S C -0.586 174.034 174.600 0.034 0.000 1.146 872 S CA -0.632 57.584 58.200 0.027 0.000 1.043 872 S CB 1.441 64.652 63.200 0.019 0.000 1.037 872 S HN 0.502 nan 8.310 nan 0.000 0.520 873 D N 0.241 120.661 120.400 0.033 0.000 2.304 873 D HA 0.228 4.868 4.640 -0.001 0.000 0.247 873 D C -0.122 176.196 176.300 0.031 0.000 1.089 873 D CA -0.445 53.582 54.000 0.046 0.000 0.910 873 D CB 0.706 41.532 40.800 0.044 0.000 1.199 873 D HN 0.492 nan 8.370 nan 0.000 0.426 874 D N 1.923 122.346 120.400 0.039 0.000 2.525 874 D HA 0.056 4.695 4.640 -0.001 0.000 0.229 874 D C -0.376 175.885 176.300 -0.065 0.000 1.202 874 D CA -0.257 53.733 54.000 -0.017 0.000 0.828 874 D CB -0.369 40.411 40.800 -0.033 0.000 1.008 874 D HN 0.645 nan 8.370 nan 0.000 0.493 875 E N -0.090 120.095 120.200 -0.024 0.000 2.637 875 E HA -0.224 4.125 4.350 -0.001 0.000 0.265 875 E C 0.176 176.736 176.600 -0.067 0.000 1.073 875 E CA 0.232 56.613 56.400 -0.031 0.000 0.778 875 E CB -0.888 28.792 29.700 -0.033 0.000 1.362 875 E HN 0.284 nan 8.360 nan 0.000 0.413 876 R N -0.522 119.904 120.500 -0.123 0.000 2.546 876 R HA 0.219 4.559 4.340 -0.001 0.000 0.320 876 R C 1.418 177.760 176.300 0.071 0.000 1.021 876 R CA 0.626 56.581 56.100 -0.242 0.000 1.088 876 R CB 0.978 30.686 30.300 -0.987 0.000 1.278 876 R HN 0.420 nan 8.270 nan 0.000 0.557 877 G N 0.703 109.613 108.800 0.184 0.000 2.218 877 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.216 877 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.216 877 G C 0.726 175.708 174.900 0.136 0.000 0.994 877 G CA 0.210 45.482 45.100 0.286 0.000 0.637 877 G HN 0.298 nan 8.290 nan 0.000 0.505 878 L N 1.470 122.885 121.223 0.320 0.000 2.109 878 L HA 0.474 4.814 4.340 -0.001 0.000 0.207 878 L C 2.206 179.090 176.870 0.023 0.000 1.086 878 L CA 2.692 57.638 54.840 0.178 0.000 0.760 878 L CB -0.576 41.733 42.059 0.417 0.000 0.910 878 L HN 1.690 nan 8.230 nan 0.000 0.437 879 G N -0.423 108.411 108.800 0.056 0.000 2.160 879 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.251 879 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.251 879 G C 0.078 174.994 174.900 0.028 0.000 1.008 879 G CA 0.653 45.765 45.100 0.021 0.000 0.724 879 G HN 0.776 nan 8.290 nan 0.000 0.514 880 Q N -2.007 117.825 119.800 0.053 0.000 2.575 880 Q HA 0.688 5.028 4.340 -0.001 0.000 0.290 880 Q C 0.406 176.442 176.000 0.061 0.000 0.963 880 Q CA -0.610 55.222 55.803 0.048 0.000 0.783 880 Q CB 0.516 29.282 28.738 0.047 0.000 1.467 880 Q HN 0.915 nan 8.270 nan 0.000 0.402 881 G N 0.036 108.867 108.800 0.051 0.000 2.531 881 G HA2 0.512 4.471 3.960 -0.001 0.000 0.253 881 G HA3 0.512 4.471 3.960 -0.001 0.000 0.253 881 G C -0.969 173.965 174.900 0.057 0.000 1.439 881 G CA -0.645 44.486 45.100 0.052 0.000 1.056 881 G HN 0.400 nan 8.290 nan 0.000 0.555 882 V N 0.841 120.789 119.914 0.057 0.000 2.305 882 V HA 0.348 4.467 4.120 -0.001 0.000 0.275 882 V C 0.053 176.185 176.094 0.063 0.000 1.020 882 V CA -0.162 62.177 62.300 0.066 0.000 0.811 882 V CB 0.951 32.816 31.823 0.070 0.000 1.031 882 V HN 0.542 nan 8.190 nan 0.000 0.439 883 L N 3.387 124.646 121.223 0.060 0.000 3.229 883 L HA 0.320 4.659 4.340 -0.001 0.000 0.286 883 L C 0.580 177.480 176.870 0.049 0.000 1.239 883 L CA 0.028 54.898 54.840 0.050 0.000 1.035 883 L CB 0.744 42.827 42.059 0.040 0.000 1.408 883 L HN 0.670 nan 8.230 nan 0.000 0.593 884 D N -1.940 118.498 120.400 0.064 0.000 2.525 884 D HA 0.049 4.689 4.640 -0.001 0.000 0.229 884 D C 0.149 176.491 176.300 0.071 0.000 1.202 884 D CA -0.412 53.626 54.000 0.064 0.000 0.828 884 D CB -0.240 40.607 40.800 0.078 0.000 1.008 884 D HN 0.065 nan 8.370 nan 0.000 0.493 885 N N 1.903 120.642 118.700 0.065 0.000 2.395 885 N HA 0.050 4.790 4.740 -0.001 0.000 0.246 885 N C 0.331 175.850 175.510 0.015 0.000 1.246 885 N CA 0.596 53.684 53.050 0.063 0.000 0.879 885 N CB 0.946 39.467 38.487 0.056 0.000 1.098 885 N HN 0.428 nan 8.380 nan 0.000 0.444 886 K N 0.046 120.443 120.400 -0.005 0.000 2.512 886 K HA 0.532 4.852 4.320 -0.001 0.000 0.263 886 K C -3.253 173.316 176.600 -0.052 0.000 0.966 886 K CA -1.888 54.350 56.287 -0.081 0.000 0.851 886 K CB 1.253 33.626 32.500 -0.212 0.000 1.395 886 K HN 0.076 nan 8.250 nan 0.000 0.440 887 P HA -0.019 nan 4.420 nan 0.000 0.264 887 P C -1.043 176.273 177.300 0.026 0.000 1.193 887 P CA -0.402 62.671 63.100 -0.045 0.000 0.763 887 P CB 0.757 32.414 31.700 -0.071 0.000 0.810 888 V N 5.226 125.128 119.914 -0.019 0.000 2.789 888 V HA 0.486 4.605 4.120 -0.001 0.000 0.311 888 V C -1.308 174.669 176.094 -0.194 0.000 1.073 888 V CA -1.106 61.164 62.300 -0.051 0.000 0.921 888 V CB 2.123 33.893 31.823 -0.088 0.000 1.009 888 V HN 0.273 nan 8.190 nan 0.000 0.426 889 L N 6.901 128.037 121.223 -0.145 0.000 2.272 889 L HA 0.589 4.929 4.340 -0.001 0.000 0.284 889 L C -0.355 176.498 176.870 -0.029 0.000 1.045 889 L CA 0.116 54.902 54.840 -0.090 0.000 0.842 889 L CB 0.304 42.332 42.059 -0.051 0.000 1.224 889 L HN 0.701 nan 8.230 nan 0.000 0.430 890 H N 5.623 124.711 119.070 0.030 0.000 2.582 890 H HA 0.471 5.026 4.556 -0.001 0.000 0.345 890 H C -0.068 175.154 175.328 -0.178 0.000 1.104 890 H CA -0.157 55.848 56.048 -0.072 0.000 1.390 890 H CB 1.205 30.994 29.762 0.044 0.000 1.461 890 H HN 0.694 nan 8.280 nan 0.000 0.551 891 I N 0.205 120.602 120.570 -0.288 0.000 2.689 891 I HA 0.618 4.788 4.170 -0.001 0.000 0.299 891 I C -1.421 174.341 176.117 -0.592 0.000 1.059 891 I CA -0.953 60.188 61.300 -0.265 0.000 1.055 891 I CB 2.150 40.091 38.000 -0.098 0.000 1.243 891 I HN 0.249 nan 8.210 nan 0.000 0.425 892 Y N 2.394 122.739 120.300 0.075 0.000 2.638 892 Y HA 0.689 5.238 4.550 -0.001 0.000 0.335 892 Y C -0.658 175.292 175.900 0.082 0.000 1.155 892 Y CA -1.085 57.065 58.100 0.084 0.000 1.046 892 Y CB 1.561 40.092 38.460 0.118 0.000 1.303 892 Y HN 0.423 nan 8.280 nan 0.000 0.460 893 R N 1.415 122.073 120.500 0.264 0.000 2.686 893 R HA 0.607 4.947 4.340 -0.001 0.000 0.286 893 R C -1.931 174.479 176.300 0.183 0.000 0.969 893 R CA -1.139 55.068 56.100 0.179 0.000 0.898 893 R CB 2.616 32.980 30.300 0.107 0.000 1.183 893 R HN 0.656 nan 8.270 nan 0.000 0.456 894 L N 2.604 123.916 121.223 0.149 0.000 2.316 894 L HA 0.424 4.764 4.340 -0.001 0.000 0.280 894 L C -1.230 175.668 176.870 0.047 0.000 1.006 894 L CA -0.551 54.352 54.840 0.105 0.000 0.836 894 L CB 1.755 43.891 42.059 0.129 0.000 1.221 894 L HN 0.303 nan 8.230 nan 0.000 0.418 895 V N 6.195 126.120 119.914 0.018 0.000 2.350 895 V HA 0.406 4.526 4.120 -0.001 0.000 0.285 895 V C -0.324 175.743 176.094 -0.045 0.000 1.014 895 V CA -0.575 61.715 62.300 -0.016 0.000 0.831 895 V CB 1.386 33.192 31.823 -0.029 0.000 1.000 895 V HN 0.636 nan 8.190 nan 0.000 0.433 896 L N 5.594 126.788 121.223 -0.049 0.000 2.282 896 L HA 0.709 5.048 4.340 -0.001 0.000 0.288 896 L C -0.165 176.666 176.870 -0.065 0.000 1.033 896 L CA 0.639 55.442 54.840 -0.062 0.000 0.807 896 L CB 1.126 43.147 42.059 -0.063 0.000 1.209 896 L HN 0.749 nan 8.230 nan 0.000 0.423 897 E N 3.569 123.723 120.200 -0.077 0.000 2.413 897 E HA 0.456 4.806 4.350 -0.001 0.000 0.277 897 E C -1.322 175.232 176.600 -0.075 0.000 0.958 897 E CA -1.201 55.151 56.400 -0.080 0.000 0.779 897 E CB 1.478 31.114 29.700 -0.106 0.000 1.278 897 E HN 0.246 nan 8.360 nan 0.000 0.456 898 K N 1.388 121.747 120.400 -0.067 0.000 2.234 898 K HA 0.223 4.542 4.320 -0.001 0.000 0.282 898 K C 0.333 176.891 176.600 -0.071 0.000 1.039 898 K CA -0.201 56.051 56.287 -0.058 0.000 0.928 898 K CB 1.398 33.869 32.500 -0.048 0.000 1.039 898 K HN 0.491 nan 8.250 nan 0.000 0.470 899 V N -0.411 119.462 119.914 -0.068 0.000 3.346 899 V HA 0.026 4.146 4.120 -0.001 0.000 0.309 899 V C 1.191 177.251 176.094 -0.057 0.000 1.457 899 V CA -0.279 61.974 62.300 -0.080 0.000 1.069 899 V CB -0.273 31.486 31.823 -0.106 0.000 0.944 899 V HN 0.615 nan 8.190 nan 0.000 0.449 900 N N 1.821 120.496 118.700 -0.042 0.000 2.364 900 N HA -0.207 4.533 4.740 -0.001 0.000 0.183 900 N C 1.074 176.565 175.510 -0.031 0.000 1.022 900 N CA 2.010 55.042 53.050 -0.029 0.000 0.883 900 N CB -0.589 37.885 38.487 -0.022 0.000 0.965 900 N HN 0.723 nan 8.380 nan 0.000 0.438 901 N N -0.662 118.014 118.700 -0.039 0.000 2.336 901 N HA 0.126 4.866 4.740 -0.001 0.000 0.189 901 N C -0.381 175.101 175.510 -0.048 0.000 1.113 901 N CA -0.313 52.714 53.050 -0.039 0.000 0.858 901 N CB 0.387 38.850 38.487 -0.039 0.000 0.970 901 N HN 0.134 nan 8.380 nan 0.000 0.471 902 c N 1.303 119.868 118.600 -0.058 0.000 2.601 902 c HA 0.215 4.785 4.570 -0.001 0.000 0.409 902 c C 0.935 174.989 174.090 -0.060 0.000 1.293 902 c CA -0.952 55.334 56.329 -0.070 0.000 2.101 902 c CB 0.478 42.931 42.510 -0.093 0.000 2.639 902 c HN 0.059 nan 8.230 nan 0.000 0.592 903 V N 5.653 125.528 119.914 -0.066 0.000 2.370 903 V HA 0.200 4.319 4.120 -0.001 0.000 0.257 903 V C 0.647 176.705 176.094 -0.060 0.000 1.064 903 V CA 0.439 62.705 62.300 -0.057 0.000 0.975 903 V CB -0.682 31.103 31.823 -0.064 0.000 1.067 903 V HN 0.795 nan 8.190 nan 0.000 0.485 904 R N 4.584 125.061 120.500 -0.039 0.000 2.758 904 R HA 0.553 4.893 4.340 -0.001 0.000 0.265 904 R C -2.455 173.839 176.300 -0.010 0.000 1.016 904 R CA -1.871 54.214 56.100 -0.025 0.000 1.040 904 R CB 1.123 31.412 30.300 -0.018 0.000 1.152 904 R HN 0.392 nan 8.270 nan 0.000 0.503 905 P HA -0.031 nan 4.420 nan 0.000 0.270 905 P C -0.404 176.934 177.300 0.063 0.000 1.223 905 P CA -0.217 62.866 63.100 -0.027 0.000 0.785 905 P CB 0.595 32.202 31.700 -0.155 0.000 0.923 906 S N 0.996 116.761 115.700 0.109 0.000 2.596 906 S HA 0.030 4.500 4.470 -0.001 0.000 0.260 906 S C 1.236 175.916 174.600 0.133 0.000 1.336 906 S CA -0.016 58.250 58.200 0.111 0.000 0.993 906 S CB 0.316 63.583 63.200 0.111 0.000 0.923 906 S HN 0.554 nan 8.310 nan 0.000 0.567 907 K N 0.406 120.867 120.400 0.101 0.000 2.360 907 K HA -0.004 4.316 4.320 -0.001 0.000 0.201 907 K C 1.393 178.049 176.600 0.094 0.000 1.046 907 K CA 1.314 57.658 56.287 0.096 0.000 0.945 907 K CB -0.624 31.917 32.500 0.068 0.000 0.750 907 K HN 0.653 nan 8.250 nan 0.000 0.464 908 L N 0.632 121.914 121.223 0.099 0.000 2.607 908 L HA 0.130 4.469 4.340 -0.001 0.000 0.228 908 L C 0.981 177.906 176.870 0.092 0.000 1.123 908 L CA -0.401 54.481 54.840 0.072 0.000 0.890 908 L CB -0.274 41.812 42.059 0.045 0.000 1.103 908 L HN 0.304 nan 8.230 nan 0.000 0.468 909 H N 2.576 121.683 119.070 0.063 0.000 2.683 909 H HA 0.108 4.664 4.556 -0.001 0.000 0.339 909 H C -1.688 173.681 175.328 0.068 0.000 1.081 909 H CA -1.441 54.657 56.048 0.083 0.000 1.432 909 H CB 1.875 31.714 29.762 0.128 0.000 1.462 909 H HN -0.087 nan 8.280 nan 0.000 0.557 910 P HA 0.124 nan 4.420 nan 0.000 0.241 910 P C -0.315 177.093 177.300 0.180 0.000 1.191 910 P CA 0.229 63.368 63.100 0.064 0.000 0.771 910 P CB 0.491 32.154 31.700 -0.061 0.000 0.929 911 A N -0.341 122.754 122.820 0.460 0.000 2.288 911 A HA 0.754 5.073 4.320 -0.001 0.000 0.328 911 A C 0.261 177.916 177.584 0.118 0.000 1.123 911 A CA -0.286 51.889 52.037 0.230 0.000 0.861 911 A CB 1.036 20.152 19.000 0.193 0.000 1.272 911 A HN 0.163 nan 8.150 nan 0.000 0.490 912 G N -1.517 107.221 108.800 -0.102 0.000 2.658 912 G HA2 0.634 4.594 3.960 -0.001 0.000 0.292 912 G HA3 0.634 4.594 3.960 -0.001 0.000 0.292 912 G C -1.781 172.749 174.900 -0.617 0.000 1.320 912 G CA -0.415 44.531 45.100 -0.256 0.000 0.933 912 G HN 0.550 nan 8.290 nan 0.000 0.476 913 Y N -0.851 119.424 120.300 -0.043 0.000 2.524 913 Y HA 0.496 5.046 4.550 -0.001 0.000 0.347 913 Y C 0.356 176.024 175.900 -0.386 0.000 1.005 913 Y CA -0.920 57.086 58.100 -0.157 0.000 1.025 913 Y CB 2.146 40.501 38.460 -0.175 0.000 1.275 913 Y HN 0.329 nan 8.280 nan 0.000 0.460 914 L N 1.936 122.999 121.223 -0.266 0.000 2.466 914 L HA 0.388 4.727 4.340 -0.001 0.000 0.257 914 L C 0.671 177.388 176.870 -0.255 0.000 1.189 914 L CA -0.572 54.028 54.840 -0.401 0.000 0.813 914 L CB 0.884 42.789 42.059 -0.257 0.000 1.118 914 L HN 0.781 nan 8.230 nan 0.000 0.471 915 T N -2.379 112.013 114.554 -0.270 0.000 2.847 915 T HA 0.134 4.484 4.350 -0.001 0.000 0.279 915 T C 1.134 175.781 174.700 -0.089 0.000 0.984 915 T CA -0.636 61.358 62.100 -0.176 0.000 0.988 915 T CB 1.378 70.138 68.868 -0.181 0.000 1.040 915 T HN 0.528 nan 8.240 nan 0.000 0.528 916 S N 0.699 116.360 115.700 -0.065 0.000 2.365 916 S HA -0.125 4.345 4.470 -0.001 0.000 0.225 916 S C 2.439 177.045 174.600 0.010 0.000 1.039 916 S CA 1.349 59.543 58.200 -0.010 0.000 1.033 916 S CB -1.027 62.151 63.200 -0.037 0.000 0.887 916 S HN 0.885 nan 8.310 nan 0.000 0.447 917 A N 1.123 123.926 122.820 -0.029 0.000 1.930 917 A HA 0.185 4.505 4.320 -0.001 0.000 0.217 917 A C 2.308 179.882 177.584 -0.016 0.000 1.175 917 A CA 1.613 53.636 52.037 -0.023 0.000 0.627 917 A CB -0.913 18.065 19.000 -0.037 0.000 0.815 917 A HN 0.518 nan 8.150 nan 0.000 0.443 918 A N -1.297 121.501 122.820 -0.037 0.000 1.898 918 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 918 A C 2.113 179.721 177.584 0.040 0.000 1.181 918 A CA 1.583 53.601 52.037 -0.030 0.000 0.620 918 A CB -0.928 17.998 19.000 -0.123 0.000 0.819 918 A HN 0.768 nan 8.150 nan 0.000 0.442 919 H N 0.048 119.100 119.070 -0.030 0.000 2.321 919 H HA -0.067 4.489 4.556 -0.001 0.000 0.300 919 H C 1.847 177.206 175.328 0.051 0.000 1.087 919 H CA 1.835 57.902 56.048 0.031 0.000 1.319 919 H CB -0.040 29.735 29.762 0.020 0.000 1.379 919 H HN 0.431 nan 8.280 nan 0.000 0.501 920 K N 0.203 120.549 120.400 -0.090 0.000 2.097 920 K HA -0.090 4.230 4.320 -0.001 0.000 0.206 920 K C 2.375 178.932 176.600 -0.072 0.000 1.049 920 K CA 0.895 57.116 56.287 -0.111 0.000 0.933 920 K CB -0.054 32.431 32.500 -0.027 0.000 0.717 920 K HN 0.274 nan 8.250 nan 0.000 0.442 921 A N 0.840 123.642 122.820 -0.029 0.000 1.930 921 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 921 A C 2.208 179.790 177.584 -0.004 0.000 1.175 921 A CA 1.966 54.001 52.037 -0.004 0.000 0.627 921 A CB -0.602 18.410 19.000 0.021 0.000 0.815 921 A HN 0.278 nan 8.150 nan 0.000 0.443 922 S N -0.606 115.095 115.700 0.002 0.000 2.368 922 S HA -0.233 4.237 4.470 -0.001 0.000 0.225 922 S C 2.123 176.704 174.600 -0.032 0.000 1.030 922 S CA 1.707 59.924 58.200 0.028 0.000 0.999 922 S CB -0.406 62.858 63.200 0.107 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.621 120.356 119.800 -0.108 0.000 2.170 923 Q HA -0.083 4.256 4.340 -0.001 0.000 0.203 923 Q C 2.475 178.420 176.000 -0.091 0.000 0.976 923 Q CA 1.617 57.357 55.803 -0.104 0.000 0.858 923 Q CB -0.296 28.360 28.738 -0.136 0.000 0.907 923 Q HN 0.812 nan 8.270 nan 0.000 0.433 924 S N 0.220 115.877 115.700 -0.072 0.000 2.423 924 S HA -0.072 4.398 4.470 -0.001 0.000 0.231 924 S C 1.851 176.390 174.600 -0.101 0.000 1.014 924 S CA 0.641 58.797 58.200 -0.075 0.000 0.965 924 S CB -0.215 62.960 63.200 -0.040 0.000 0.785 924 S HN 0.279 nan 8.310 nan 0.000 0.495 925 L N 0.061 121.234 121.223 -0.085 0.000 2.102 925 L HA 0.212 4.552 4.340 -0.001 0.000 0.202 925 L C 2.526 179.305 176.870 -0.151 0.000 1.076 925 L CA 0.765 55.546 54.840 -0.098 0.000 0.761 925 L CB -0.394 41.631 42.059 -0.056 0.000 0.921 925 L HN 0.280 nan 8.230 nan 0.000 0.444 926 L N -1.182 119.957 121.223 -0.140 0.000 2.202 926 L HA 0.024 4.364 4.340 -0.001 0.000 0.205 926 L C 0.218 176.922 176.870 -0.277 0.000 1.083 926 L CA 0.791 55.525 54.840 -0.176 0.000 0.790 926 L CB 0.081 42.072 42.059 -0.113 0.000 0.942 926 L HN 0.199 nan 8.230 nan 0.000 0.452 927 D N 0.321 120.553 120.400 -0.279 0.000 2.613 927 D HA 0.232 4.871 4.640 -0.001 0.000 0.312 927 D C -2.321 173.735 176.300 -0.406 0.000 1.202 927 D CA -1.007 52.757 54.000 -0.394 0.000 0.825 927 D CB 1.249 42.014 40.800 -0.058 0.000 1.113 927 D HN 0.062 nan 8.370 nan 0.000 0.502 928 P HA 0.104 nan 4.420 nan 0.000 0.274 928 P C 0.585 177.745 177.300 -0.233 0.000 1.260 928 P CA -0.478 62.436 63.100 -0.310 0.000 0.793 928 P CB 1.510 33.031 31.700 -0.298 0.000 1.048 929 L N 0.776 121.930 121.223 -0.114 0.000 2.485 929 L HA 0.084 4.424 4.340 -0.001 0.000 0.275 929 L C 0.929 177.813 176.870 0.023 0.000 1.207 929 L CA 0.387 55.217 54.840 -0.016 0.000 0.855 929 L CB -0.312 41.753 42.059 0.009 0.000 1.114 929 L HN 0.283 nan 8.230 nan 0.000 0.485 930 D N 3.128 123.634 120.400 0.176 0.000 2.225 930 D HA 0.327 4.967 4.640 -0.001 0.000 0.249 930 D C -0.331 176.029 176.300 0.100 0.000 1.052 930 D CA -0.267 53.825 54.000 0.153 0.000 0.909 930 D CB 1.643 42.640 40.800 0.328 0.000 1.186 930 D HN 0.369 nan 8.370 nan 0.000 0.431 931 K N 1.352 121.687 120.400 -0.109 0.000 2.345 931 K HA 0.464 4.783 4.320 -0.001 0.000 0.255 931 K C -1.046 175.508 176.600 -0.077 0.000 0.934 931 K CA -0.655 55.677 56.287 0.075 0.000 0.801 931 K CB 1.593 34.090 32.500 -0.005 0.000 1.137 931 K HN 0.226 nan 8.250 nan 0.000 0.424 932 F N 2.602 122.758 119.950 0.344 0.000 2.520 932 F HA 0.498 5.025 4.527 -0.001 0.000 0.322 932 F C 0.010 176.100 175.800 0.482 0.000 1.103 932 F CA -0.880 57.309 58.000 0.313 0.000 0.926 932 F CB 1.292 40.300 39.000 0.013 0.000 1.154 932 F HN 0.198 nan 8.300 nan 0.000 0.453 933 I N 3.556 124.511 120.570 0.643 0.000 2.362 933 I HA 0.218 4.388 4.170 -0.001 0.000 0.289 933 I C -0.577 175.827 176.117 0.479 0.000 0.994 933 I CA -0.829 60.773 61.300 0.504 0.000 1.158 933 I CB 1.237 39.432 38.000 0.325 0.000 1.315 933 I HN 0.440 nan 8.210 nan 0.000 0.451 934 F N 5.828 125.947 119.950 0.281 0.000 2.578 934 F HA 0.196 4.722 4.527 -0.001 0.000 0.376 934 F C 1.214 176.933 175.800 -0.136 0.000 1.085 934 F CA 0.116 57.977 58.000 -0.231 0.000 1.260 934 F CB 1.190 40.077 39.000 -0.189 0.000 1.095 934 F HN 0.607 nan 8.300 nan 0.000 0.573 935 A N 4.476 126.715 122.820 -0.968 0.000 1.930 935 A HA 0.022 4.341 4.320 -0.001 0.000 0.215 935 A C 0.969 178.290 177.584 -0.438 0.000 1.176 935 A CA 0.646 52.345 52.037 -0.564 0.000 0.632 935 A CB -0.511 18.141 19.000 -0.581 0.000 0.819 935 A HN 0.801 nan 8.150 nan 0.000 0.445 936 E N -0.463 119.325 120.200 -0.687 0.000 2.359 936 E HA 0.166 4.515 4.350 -0.001 0.000 0.255 936 E C 0.288 176.994 176.600 0.178 0.000 1.191 936 E CA -0.576 55.739 56.400 -0.142 0.000 0.952 936 E CB 0.250 29.932 29.700 -0.031 0.000 1.152 936 E HN 0.231 nan 8.360 nan 0.000 0.496 937 N N 0.543 119.356 118.700 0.188 0.000 2.216 937 N HA -0.087 4.652 4.740 -0.001 0.000 0.183 937 N C -0.254 175.403 175.510 0.244 0.000 1.017 937 N CA 0.946 54.115 53.050 0.198 0.000 0.861 937 N CB 0.199 38.758 38.487 0.120 0.000 0.986 937 N HN 0.446 nan 8.380 nan 0.000 0.428 938 E N -0.721 119.642 120.200 0.271 0.000 2.275 938 E HA 0.114 4.464 4.350 -0.001 0.000 0.270 938 E C -1.548 175.120 176.600 0.113 0.000 0.882 938 E CA -0.704 55.779 56.400 0.138 0.000 0.758 938 E CB 1.279 31.027 29.700 0.081 0.000 1.195 938 E HN -0.008 nan 8.360 nan 0.000 0.419 939 W N 8.072 129.042 121.300 -0.550 0.000 2.298 939 W HA 0.396 5.056 4.660 -0.001 0.000 0.327 939 W C -1.211 175.099 176.519 -0.349 0.000 0.988 939 W CA -1.479 55.393 57.345 -0.788 0.000 1.448 939 W CB -0.045 28.480 29.460 -1.558 0.000 1.243 939 W HN 0.463 nan 8.180 nan 0.000 0.388 940 I N 6.109 126.764 120.570 0.141 0.000 2.556 940 I HA 0.207 4.376 4.170 -0.001 0.000 0.284 940 I C 1.463 177.582 176.117 0.002 0.000 1.114 940 I CA 1.053 62.372 61.300 0.032 0.000 1.418 940 I CB 0.397 38.443 38.000 0.077 0.000 1.394 940 I HN 0.784 nan 8.210 nan 0.000 0.552 941 G N 4.370 113.089 108.800 -0.136 0.000 2.141 941 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.242 941 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.242 941 G C 0.393 175.083 174.900 -0.349 0.000 0.982 941 G CA -0.067 44.948 45.100 -0.142 0.000 0.662 941 G HN 0.984 nan 8.290 nan 0.000 0.527 942 A N -0.372 121.976 122.820 -0.787 0.000 2.498 942 A HA 0.589 4.909 4.320 -0.001 0.000 0.239 942 A C 0.556 177.750 177.584 -0.650 0.000 1.068 942 A CA 0.741 51.968 52.037 -1.350 0.000 0.766 942 A CB 0.277 18.125 19.000 -1.919 0.000 1.003 942 A HN 0.614 nan 8.150 nan 0.000 0.497 943 Q N 0.635 120.136 119.800 -0.497 0.000 2.351 943 Q HA 0.518 4.858 4.340 -0.001 0.000 0.273 943 Q C 1.087 176.985 176.000 -0.172 0.000 1.077 943 Q CA -0.203 55.457 55.803 -0.238 0.000 0.843 943 Q CB 1.926 30.590 28.738 -0.123 0.000 1.367 943 Q HN 0.808 nan 8.270 nan 0.000 0.449 944 G N 0.145 108.877 108.800 -0.114 0.000 2.683 944 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.213 944 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.213 944 G C 0.192 175.068 174.900 -0.039 0.000 1.142 944 G CA 0.553 45.598 45.100 -0.091 0.000 0.793 944 G HN 0.441 nan 8.290 nan 0.000 0.534 945 Q N -1.424 118.372 119.800 -0.008 0.000 2.527 945 Q HA 0.517 4.857 4.340 -0.001 0.000 0.280 945 Q C -2.375 173.651 176.000 0.043 0.000 0.977 945 Q CA -0.926 54.888 55.803 0.018 0.000 0.837 945 Q CB 2.148 30.881 28.738 -0.007 0.000 1.454 945 Q HN 0.046 nan 8.270 nan 0.000 0.387 946 F N 1.169 121.032 119.950 -0.144 0.000 2.569 946 F HA 0.646 5.173 4.527 -0.001 0.000 0.312 946 F C 0.506 176.061 175.800 -0.408 0.000 1.109 946 F CA 0.465 58.312 58.000 -0.255 0.000 0.919 946 F CB 2.068 40.926 39.000 -0.236 0.000 1.211 946 F HN 0.677 nan 8.300 nan 0.000 0.446 947 G N 3.035 110.829 108.800 -1.676 0.000 2.157 947 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.239 947 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.239 947 G C 1.045 175.272 174.900 -1.120 0.000 0.982 947 G CA 0.260 44.124 45.100 -2.060 0.000 0.650 947 G HN 1.572 nan 8.290 nan 0.000 0.527 948 G N 1.165 109.609 108.800 -0.593 0.000 2.479 948 G HA2 0.010 3.970 3.960 -0.001 0.000 0.220 948 G HA3 0.010 3.970 3.960 -0.001 0.000 0.220 948 G C 1.212 176.060 174.900 -0.085 0.000 1.115 948 G CA 1.785 46.772 45.100 -0.188 0.000 0.757 948 G HN 0.841 nan 8.290 nan 0.000 0.560 949 D N -0.690 119.578 120.400 -0.220 0.000 2.340 949 D HA 0.025 4.664 4.640 -0.001 0.000 0.217 949 D C 0.096 176.402 176.300 0.011 0.000 1.081 949 D CA -0.459 53.503 54.000 -0.064 0.000 0.842 949 D CB -0.453 40.315 40.800 -0.055 0.000 0.934 949 D HN 0.179 nan 8.370 nan 0.000 0.511 950 H N 1.577 120.544 119.070 -0.171 0.000 2.764 950 H HA 0.330 4.886 4.556 -0.001 0.000 0.341 950 H C -1.978 173.321 175.328 -0.049 0.000 1.072 950 H CA -2.187 53.782 56.048 -0.131 0.000 1.444 950 H CB 0.073 29.709 29.762 -0.211 0.000 1.458 950 H HN 0.021 nan 8.280 nan 0.000 0.572 951 P HA -0.023 nan 4.420 nan 0.000 0.268 951 P C -0.170 177.194 177.300 0.108 0.000 1.205 951 P CA 0.054 63.214 63.100 0.101 0.000 0.771 951 P CB 0.669 32.406 31.700 0.061 0.000 0.858 952 S N 2.202 117.998 115.700 0.160 0.000 2.434 952 S HA 0.578 5.048 4.470 -0.001 0.000 0.318 952 S C -0.024 174.672 174.600 0.159 0.000 1.062 952 S CA -0.581 57.739 58.200 0.200 0.000 1.116 952 S CB -0.617 62.814 63.200 0.386 0.000 0.977 952 S HN 0.490 nan 8.310 nan 0.000 0.480 953 A N 4.471 127.378 122.820 0.145 0.000 2.332 953 A HA 0.503 4.823 4.320 -0.001 0.000 0.258 953 A C 0.568 178.206 177.584 0.090 0.000 1.087 953 A CA -0.535 51.566 52.037 0.107 0.000 0.802 953 A CB 0.208 19.272 19.000 0.107 0.000 1.042 953 A HN 0.913 nan 8.150 nan 0.000 0.489 954 R N 0.071 120.594 120.500 0.039 0.000 2.678 954 R HA -0.056 4.284 4.340 -0.001 0.000 0.264 954 R C 1.462 177.762 176.300 0.001 0.000 0.995 954 R CA 1.019 57.116 56.100 -0.004 0.000 1.098 954 R CB 0.323 30.610 30.300 -0.021 0.000 0.949 954 R HN 0.924 nan 8.270 nan 0.000 0.422 955 E N 1.720 121.881 120.200 -0.064 0.000 2.204 955 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 955 E C 0.362 176.990 176.600 0.045 0.000 0.990 955 E CA 1.543 57.887 56.400 -0.094 0.000 0.821 955 E CB -0.071 29.549 29.700 -0.133 0.000 0.750 955 E HN 0.759 nan 8.360 nan 0.000 0.477 956 D N 0.652 121.042 120.400 -0.017 0.000 2.349 956 D HA -0.014 4.626 4.640 -0.001 0.000 0.224 956 D C 0.376 176.672 176.300 -0.006 0.000 1.029 956 D CA -0.070 53.884 54.000 -0.076 0.000 0.879 956 D CB -0.042 40.655 40.800 -0.171 0.000 0.906 956 D HN 0.177 nan 8.370 nan 0.000 0.528 957 L N 0.724 121.989 121.223 0.070 0.000 2.309 957 L HA 0.520 4.860 4.340 -0.001 0.000 0.282 957 L C -1.094 175.898 176.870 0.203 0.000 1.036 957 L CA -0.425 54.475 54.840 0.100 0.000 0.806 957 L CB 1.670 43.776 42.059 0.079 0.000 1.220 957 L HN -0.210 nan 8.230 nan 0.000 0.429 958 D N 2.306 122.846 120.400 0.233 0.000 2.671 958 D HA 0.358 4.997 4.640 -0.001 0.000 0.232 958 D C -1.363 175.093 176.300 0.260 0.000 1.114 958 D CA -0.266 53.894 54.000 0.267 0.000 0.858 958 D CB 2.411 43.415 40.800 0.339 0.000 1.544 958 D HN 0.225 nan 8.370 nan 0.000 0.471 959 V N 3.519 123.564 119.914 0.219 0.000 2.267 959 V HA 0.127 4.246 4.120 -0.001 0.000 0.254 959 V C 1.298 177.525 176.094 0.222 0.000 1.144 959 V CA -0.008 62.434 62.300 0.236 0.000 0.992 959 V CB 0.443 32.391 31.823 0.210 0.000 1.199 959 V HN 0.598 nan 8.190 nan 0.000 0.493 960 S N 3.161 119.021 115.700 0.266 0.000 2.382 960 S HA -0.023 4.447 4.470 -0.001 0.000 0.228 960 S C 0.667 175.322 174.600 0.091 0.000 1.027 960 S CA 0.894 59.204 58.200 0.183 0.000 0.991 960 S CB 0.152 63.515 63.200 0.272 0.000 0.823 960 S HN 0.498 nan 8.310 nan 0.000 0.469 961 V N 1.494 121.502 119.914 0.156 0.000 2.686 961 V HA 0.532 4.651 4.120 -0.001 0.000 0.306 961 V C -0.775 175.395 176.094 0.126 0.000 1.065 961 V CA -0.563 61.807 62.300 0.117 0.000 0.894 961 V CB 1.884 33.803 31.823 0.159 0.000 1.004 961 V HN 0.382 nan 8.190 nan 0.000 0.424 962 M N 5.650 125.246 119.600 -0.006 0.000 2.204 962 M HA 0.682 5.162 4.480 -0.001 0.000 0.293 962 M C -1.102 175.035 176.300 -0.271 0.000 0.994 962 M CA -0.473 54.694 55.300 -0.221 0.000 0.925 962 M CB 1.481 33.962 32.600 -0.198 0.000 1.577 962 M HN 0.746 nan 8.290 nan 0.000 0.439 963 R N 4.011 124.280 120.500 -0.385 0.000 2.515 963 R HA 0.448 4.788 4.340 -0.001 0.000 0.291 963 R C -1.394 174.679 176.300 -0.379 0.000 1.046 963 R CA -0.701 55.221 56.100 -0.297 0.000 0.914 963 R CB 1.922 32.127 30.300 -0.158 0.000 1.191 963 R HN 0.908 nan 8.270 nan 0.000 0.435 964 R N 4.505 124.841 120.500 -0.274 0.000 2.389 964 R HA 0.148 4.488 4.340 -0.001 0.000 0.295 964 R C 0.236 176.425 176.300 -0.185 0.000 1.075 964 R CA 0.031 55.995 56.100 -0.227 0.000 1.005 964 R CB 0.626 30.848 30.300 -0.129 0.000 0.987 964 R HN 0.700 nan 8.270 nan 0.000 0.452 965 L N 2.985 124.090 121.223 -0.197 0.000 2.585 965 L HA 0.141 4.481 4.340 -0.001 0.000 0.226 965 L C 0.357 177.174 176.870 -0.088 0.000 1.113 965 L CA 0.049 54.794 54.840 -0.157 0.000 0.876 965 L CB 0.342 42.275 42.059 -0.211 0.000 1.072 965 L HN 0.716 nan 8.230 nan 0.000 0.468 966 T N -2.726 111.788 114.554 -0.068 0.000 2.912 966 T HA 0.454 4.803 4.350 -0.001 0.000 0.288 966 T C -0.224 174.467 174.700 -0.015 0.000 1.030 966 T CA -0.908 61.170 62.100 -0.036 0.000 1.020 966 T CB 2.482 71.334 68.868 -0.027 0.000 1.056 966 T HN -0.087 nan 8.240 nan 0.000 0.480 967 K N 0.754 121.151 120.400 -0.004 0.000 2.127 967 K HA 0.358 4.678 4.320 -0.001 0.000 0.240 967 K C 1.629 178.241 176.600 0.021 0.000 1.024 967 K CA -0.350 55.945 56.287 0.014 0.000 0.918 967 K CB 0.694 33.200 32.500 0.011 0.000 1.108 967 K HN 0.796 nan 8.250 nan 0.000 0.485 968 S N -0.654 115.066 115.700 0.035 0.000 2.447 968 S HA -0.147 4.323 4.470 -0.001 0.000 0.233 968 S C 1.754 176.367 174.600 0.022 0.000 1.006 968 S CA 1.454 59.673 58.200 0.032 0.000 0.957 968 S CB -0.369 62.856 63.200 0.043 0.000 0.773 968 S HN 0.629 nan 8.310 nan 0.000 0.507 969 S N 1.615 117.326 115.700 0.019 0.000 2.515 969 S HA 0.395 4.864 4.470 -0.001 0.000 0.231 969 S C 0.832 175.437 174.600 0.008 0.000 0.987 969 S CA 0.091 58.299 58.200 0.014 0.000 0.936 969 S CB -0.633 62.575 63.200 0.013 0.000 0.766 969 S HN 0.770 nan 8.310 nan 0.000 0.528 970 A N 1.940 124.763 122.820 0.006 0.000 2.451 970 A HA 0.389 4.708 4.320 -0.001 0.000 0.266 970 A C 1.252 178.840 177.584 0.006 0.000 1.119 970 A CA -0.367 51.671 52.037 0.001 0.000 0.786 970 A CB 0.205 19.202 19.000 -0.005 0.000 1.061 970 A HN 0.475 nan 8.150 nan 0.000 0.503 971 K N 1.994 122.396 120.400 0.004 0.000 2.063 971 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 971 K C 0.191 176.797 176.600 0.011 0.000 1.048 971 K CA 1.798 58.089 56.287 0.007 0.000 0.928 971 K CB -0.052 32.450 32.500 0.003 0.000 0.713 971 K HN 0.623 nan 8.250 nan 0.000 0.442 972 T N 2.508 117.065 114.554 0.005 0.000 2.781 972 T HA 0.177 4.527 4.350 -0.001 0.000 0.305 972 T C -0.857 173.852 174.700 0.016 0.000 1.001 972 T CA -0.692 61.412 62.100 0.008 0.000 0.950 972 T CB 1.352 70.214 68.868 -0.011 0.000 0.955 972 T HN 0.108 nan 8.240 nan 0.000 0.471 973 Q N 2.747 122.575 119.800 0.047 0.000 2.340 973 Q HA 0.394 4.733 4.340 -0.001 0.000 0.249 973 Q C 0.107 176.156 176.000 0.081 0.000 0.957 973 Q CA 0.090 55.925 55.803 0.054 0.000 0.882 973 Q CB 1.247 30.022 28.738 0.062 0.000 1.235 973 Q HN 0.549 nan 8.270 nan 0.000 0.439 974 R N 0.300 120.816 120.500 0.026 0.000 2.575 974 R HA 0.643 4.983 4.340 -0.001 0.000 0.293 974 R C -1.113 175.138 176.300 -0.082 0.000 0.983 974 R CA -0.639 55.459 56.100 -0.002 0.000 0.887 974 R CB 1.852 32.115 30.300 -0.061 0.000 1.184 974 R HN 0.254 nan 8.270 nan 0.000 0.445 975 V N 1.514 121.376 119.914 -0.087 0.000 2.588 975 V HA 0.607 4.727 4.120 -0.001 0.000 0.304 975 V C 0.177 175.993 176.094 -0.463 0.000 1.042 975 V CA -0.839 61.276 62.300 -0.308 0.000 0.877 975 V CB 2.054 33.703 31.823 -0.289 0.000 0.996 975 V HN 0.943 nan 8.190 nan 0.000 0.425 976 G N 2.984 111.312 108.800 -0.787 0.000 2.371 976 G HA2 0.664 4.623 3.960 -0.001 0.000 0.326 976 G HA3 0.664 4.623 3.960 -0.001 0.000 0.326 976 G C -1.644 172.825 174.900 -0.718 0.000 1.127 976 G CA -0.290 44.193 45.100 -1.028 0.000 0.885 976 G HN 0.507 nan 8.290 nan 0.000 0.477 977 Y N 0.425 120.810 120.300 0.141 0.000 2.442 977 Y HA 0.476 5.026 4.550 -0.001 0.000 0.344 977 Y C -0.128 176.038 175.900 0.443 0.000 0.976 977 Y CA -0.906 57.366 58.100 0.287 0.000 1.040 977 Y CB 2.774 41.371 38.460 0.229 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 4.926 125.134 119.914 0.490 0.000 2.384 978 V HA 0.373 4.493 4.120 -0.001 0.000 0.287 978 V C -0.864 175.454 176.094 0.374 0.000 1.020 978 V CA -0.647 61.866 62.300 0.354 0.000 0.850 978 V CB 1.402 33.385 31.823 0.267 0.000 0.987 978 V HN 0.460 nan 8.190 nan 0.000 0.436 979 L N 5.143 126.572 121.223 0.344 0.000 2.313 979 L HA 0.534 4.874 4.340 -0.001 0.000 0.283 979 L C -0.255 176.808 176.870 0.323 0.000 1.013 979 L CA -0.083 54.953 54.840 0.327 0.000 0.816 979 L CB 1.185 43.436 42.059 0.319 0.000 1.236 979 L HN 0.666 nan 8.230 nan 0.000 0.419 980 H N 4.738 123.958 119.070 0.249 0.000 2.529 980 H HA 0.455 5.011 4.556 -0.001 0.000 0.348 980 H C -1.047 174.364 175.328 0.139 0.000 1.079 980 H CA -0.820 55.347 56.048 0.197 0.000 1.198 980 H CB 1.645 31.596 29.762 0.315 0.000 1.521 980 H HN 0.574 nan 8.280 nan 0.000 0.514 981 R N 3.820 123.965 120.500 -0.592 0.000 2.387 981 R HA 0.214 4.554 4.340 -0.001 0.000 0.314 981 R C -0.376 175.491 176.300 -0.722 0.000 0.958 981 R CA -0.387 55.439 56.100 -0.457 0.000 0.846 981 R CB 1.764 31.924 30.300 -0.233 0.000 1.147 981 R HN 0.663 nan 8.270 nan 0.000 0.447 982 T N 1.462 115.749 114.554 -0.445 0.000 2.833 982 T HA 0.205 4.555 4.350 -0.001 0.000 0.292 982 T C -0.552 173.971 174.700 -0.295 0.000 1.031 982 T CA -0.465 61.462 62.100 -0.288 0.000 0.937 982 T CB 0.633 69.406 68.868 -0.158 0.000 1.256 982 T HN 0.672 nan 8.240 nan 0.000 0.551 983 N N 0.611 119.164 118.700 -0.244 0.000 2.399 983 N HA 0.473 5.213 4.740 -0.001 0.000 0.284 983 N C -1.466 173.893 175.510 -0.251 0.000 1.025 983 N CA -0.492 52.361 53.050 -0.328 0.000 0.885 983 N CB 0.684 38.826 38.487 -0.575 0.000 1.339 983 N HN 0.472 nan 8.380 nan 0.000 0.487 984 L N 2.657 123.726 121.223 -0.257 0.000 2.331 984 L HA 0.546 4.886 4.340 -0.001 0.000 0.275 984 L C 0.510 177.262 176.870 -0.198 0.000 1.022 984 L CA -0.964 53.758 54.840 -0.196 0.000 0.812 984 L CB 1.596 43.547 42.059 -0.179 0.000 1.257 984 L HN 0.383 nan 8.230 nan 0.000 0.435 985 M N 1.984 121.488 119.600 -0.160 0.000 2.248 985 M HA 0.103 4.582 4.480 -0.001 0.000 0.337 985 M C -0.192 176.026 176.300 -0.137 0.000 1.121 985 M CA -0.161 55.047 55.300 -0.154 0.000 1.155 985 M CB 0.514 33.029 32.600 -0.141 0.000 1.514 985 M HN 0.450 nan 8.290 nan 0.000 0.452 986 Q N 1.729 121.452 119.800 -0.128 0.000 2.314 986 Q HA 0.203 4.543 4.340 -0.001 0.000 0.257 986 Q C -0.279 175.668 176.000 -0.089 0.000 0.975 986 Q CA 0.101 55.842 55.803 -0.103 0.000 0.933 986 Q CB 1.017 29.698 28.738 -0.096 0.000 1.195 986 Q HN 0.812 nan 8.270 nan 0.000 0.426 987 c N 0.555 119.106 118.600 -0.081 0.000 3.240 987 c HA 0.390 4.960 4.570 -0.001 0.000 0.271 987 c C 1.240 175.295 174.090 -0.058 0.000 1.534 987 c CA 0.027 56.313 56.329 -0.072 0.000 1.796 987 c CB -0.256 42.205 42.510 -0.081 0.000 2.892 987 c HN 1.002 nan 8.230 nan 0.000 0.566 988 G N 1.208 109.976 108.800 -0.053 0.000 2.159 988 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.227 988 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.227 988 G C -0.011 174.866 174.900 -0.039 0.000 0.986 988 G CA 0.263 45.337 45.100 -0.043 0.000 0.651 988 G HN 0.423 nan 8.290 nan 0.000 0.523 989 T N 2.077 116.605 114.554 -0.044 0.000 2.728 989 T HA 0.469 4.818 4.350 -0.001 0.000 0.296 989 T C -0.582 174.097 174.700 -0.035 0.000 0.940 989 T CA -0.534 61.543 62.100 -0.038 0.000 1.013 989 T CB 1.785 70.627 68.868 -0.043 0.000 0.912 989 T HN 0.013 nan 8.240 nan 0.000 0.484 990 P HA -0.091 nan 4.420 nan 0.000 0.218 990 P C 0.078 177.365 177.300 -0.022 0.000 1.146 990 P CA 0.472 63.561 63.100 -0.018 0.000 0.813 990 P CB -0.069 31.628 31.700 -0.004 0.000 0.778 991 E N 0.230 120.413 120.200 -0.028 0.000 0.749 991 E HA -0.221 4.129 4.350 -0.001 0.000 0.362 991 E C 0.483 177.050 176.600 -0.054 0.000 0.686 991 E CA 0.485 56.855 56.400 -0.050 0.000 1.367 991 E CB -0.013 29.646 29.700 -0.068 0.000 0.330 991 E HN 0.389 nan 8.360 nan 0.000 0.366 992 E N 1.652 121.817 120.200 -0.057 0.000 4.266 992 E HA 0.054 4.404 4.350 -0.001 0.000 0.262 992 E C 0.012 176.543 176.600 -0.115 0.000 0.941 992 E CA -0.411 55.977 56.400 -0.020 0.000 1.317 992 E CB -0.484 29.286 29.700 0.116 0.000 2.138 992 E HN 0.727 nan 8.360 nan 0.000 0.463 993 H N 2.257 121.322 119.070 -0.008 0.000 3.017 993 H HA -0.062 4.494 4.556 -0.001 0.000 0.204 993 H C -0.345 174.993 175.328 0.016 0.000 0.671 993 H CA 0.947 56.996 56.048 0.000 0.000 1.460 993 H CB -1.607 28.153 29.762 -0.004 0.000 1.419 993 H HN 0.249 nan 8.280 nan 0.000 0.428 994 T N 1.154 115.707 114.554 -0.002 0.000 2.865 994 T HA 0.551 4.901 4.350 -0.001 0.000 0.294 994 T C -0.376 174.352 174.700 0.047 0.000 1.119 994 T CA -1.198 60.907 62.100 0.009 0.000 1.007 994 T CB 2.463 71.320 68.868 -0.018 0.000 1.225 994 T HN 0.626 nan 8.240 nan 0.000 0.515 995 Q N 0.448 120.286 119.800 0.063 0.000 2.257 995 Q HA 0.468 4.807 4.340 -0.001 0.000 0.262 995 Q C -0.512 175.509 176.000 0.036 0.000 0.997 995 Q CA -1.042 54.793 55.803 0.053 0.000 0.873 995 Q CB 2.066 30.846 28.738 0.071 0.000 1.312 995 Q HN 0.647 nan 8.270 nan 0.000 0.450 996 K N 1.612 122.023 120.400 0.018 0.000 2.401 996 K HA 0.116 4.435 4.320 -0.001 0.000 0.278 996 K C -1.043 175.558 176.600 0.001 0.000 1.018 996 K CA -0.267 56.022 56.287 0.003 0.000 0.981 996 K CB 0.377 32.869 32.500 -0.012 0.000 0.933 996 K HN 0.419 nan 8.250 nan 0.000 0.477 997 L N 4.646 125.866 121.223 -0.005 0.000 2.265 997 L HA 0.298 4.638 4.340 -0.001 0.000 0.289 997 L C -1.214 175.619 176.870 -0.062 0.000 1.033 997 L CA -0.080 54.749 54.840 -0.018 0.000 0.814 997 L CB 1.254 43.314 42.059 0.001 0.000 1.203 997 L HN 0.615 nan 8.230 nan 0.000 0.423 998 D N 3.560 123.917 120.400 -0.072 0.000 2.460 998 D HA 0.169 4.809 4.640 -0.001 0.000 0.232 998 D C 1.055 177.259 176.300 -0.160 0.000 1.079 998 D CA -0.295 53.641 54.000 -0.107 0.000 0.864 998 D CB 1.300 42.083 40.800 -0.029 0.000 1.048 998 D HN 0.391 nan 8.370 nan 0.000 0.523 999 V N 1.366 121.089 119.914 -0.319 0.000 2.720 999 V HA -0.155 3.965 4.120 -0.001 0.000 0.256 999 V C 2.121 177.906 176.094 -0.515 0.000 1.082 999 V CA 0.949 62.887 62.300 -0.602 0.000 1.101 999 V CB -1.062 30.116 31.823 -1.075 0.000 0.693 999 V HN 0.605 nan 8.190 nan 0.000 0.479 1000 c N 0.546 118.981 118.600 -0.275 0.000 2.472 1000 c HA 0.041 4.610 4.570 -0.001 0.000 0.278 1000 c C 2.058 176.033 174.090 -0.191 0.000 1.447 1000 c CA 1.157 57.389 56.329 -0.161 0.000 1.773 1000 c CB -1.799 40.612 42.510 -0.165 0.000 1.793 1000 c HN 0.767 nan 8.230 nan 0.000 0.544 1001 H N -1.099 117.952 119.070 -0.032 0.000 2.542 1001 H HA 0.268 4.824 4.556 -0.001 0.000 0.283 1001 H C 1.675 177.036 175.328 0.055 0.000 1.059 1001 H CA -0.022 56.046 56.048 0.034 0.000 1.162 1001 H CB 0.100 29.863 29.762 0.003 0.000 1.539 1001 H HN 0.335 nan 8.280 nan 0.000 0.543 1002 L N -0.148 121.130 121.223 0.092 0.000 2.156 1002 L HA 0.008 4.347 4.340 -0.001 0.000 0.208 1002 L C 0.159 177.167 176.870 0.230 0.000 1.095 1002 L CA 0.838 55.760 54.840 0.136 0.000 0.770 1002 L CB 0.150 42.261 42.059 0.086 0.000 0.914 1002 L HN 0.203 nan 8.230 nan 0.000 0.439 1003 L N 0.036 121.353 121.223 0.155 0.000 2.331 1003 L HA 0.395 4.735 4.340 -0.001 0.000 0.275 1003 L C -2.056 174.863 176.870 0.081 0.000 1.022 1003 L CA -1.949 52.912 54.840 0.036 0.000 0.812 1003 L CB 1.638 43.481 42.059 -0.359 0.000 1.257 1003 L HN -0.202 nan 8.230 nan 0.000 0.435 1004 P HA 0.138 nan 4.420 nan 0.000 0.277 1004 P C -0.920 176.502 177.300 0.204 0.000 1.271 1004 P CA -0.312 62.866 63.100 0.130 0.000 0.795 1004 P CB 0.391 32.144 31.700 0.089 0.000 1.101 1005 N N -3.180 115.617 118.700 0.162 0.000 2.740 1005 N HA -0.149 4.591 4.740 -0.001 0.000 0.248 1005 N C -0.029 175.563 175.510 0.136 0.000 1.062 1005 N CA 0.090 53.223 53.050 0.139 0.000 0.704 1005 N CB -1.914 36.645 38.487 0.121 0.000 0.968 1005 N HN 0.253 nan 8.380 nan 0.000 0.547 1006 V N -0.023 119.926 119.914 0.057 0.000 2.572 1006 V HA 0.437 4.556 4.120 -0.001 0.000 0.291 1006 V C 1.173 177.173 176.094 -0.156 0.000 1.039 1006 V CA 0.999 63.167 62.300 -0.218 0.000 1.055 1006 V CB 1.220 32.816 31.823 -0.377 0.000 0.969 1006 V HN 0.439 nan 8.190 nan 0.000 0.482 1007 A N 7.053 129.754 122.820 -0.198 0.000 2.127 1007 A HA 0.475 4.795 4.320 -0.001 0.000 0.204 1007 A C 1.008 178.553 177.584 -0.064 0.000 1.243 1007 A CA 0.069 52.051 52.037 -0.091 0.000 0.887 1007 A CB 0.249 19.206 19.000 -0.072 0.000 0.933 1007 A HN 0.764 nan 8.150 nan 0.000 0.479 1008 R N -1.766 118.667 120.500 -0.111 0.000 2.664 1008 R HA 0.475 4.815 4.340 -0.001 0.000 0.266 1008 R C -2.343 173.933 176.300 -0.040 0.000 1.046 1008 R CA -0.354 55.740 56.100 -0.009 0.000 0.885 1008 R CB 1.466 31.759 30.300 -0.010 0.000 1.254 1008 R HN 0.301 nan 8.270 nan 0.000 0.465 1009 c N 2.707 121.341 118.600 0.057 0.000 2.431 1009 c HA 0.628 5.198 4.570 -0.001 0.000 0.321 1009 c C -1.247 172.942 174.090 0.165 0.000 1.202 1009 c CA -0.263 56.102 56.329 0.059 0.000 1.398 1009 c CB 1.361 43.871 42.510 -0.000 0.000 2.047 1009 c HN 0.780 nan 8.230 nan 0.000 0.465 1010 E N 3.424 123.738 120.200 0.191 0.000 2.266 1010 E HA 0.355 4.705 4.350 -0.001 0.000 0.268 1010 E C -1.004 175.766 176.600 0.284 0.000 0.879 1010 E CA -0.632 55.896 56.400 0.214 0.000 0.762 1010 E CB 2.375 32.158 29.700 0.137 0.000 1.199 1010 E HN 0.703 nan 8.360 nan 0.000 0.422 1011 R N 1.121 121.771 120.500 0.252 0.000 2.390 1011 R HA 0.307 4.647 4.340 -0.001 0.000 0.291 1011 R C -0.148 176.183 176.300 0.052 0.000 1.070 1011 R CA 0.165 56.337 56.100 0.120 0.000 1.014 1011 R CB 0.627 30.972 30.300 0.074 0.000 1.007 1011 R HN 0.649 nan 8.270 nan 0.000 0.466 1012 T N -0.321 114.238 114.554 0.008 0.000 2.864 1012 T HA 0.369 4.719 4.350 -0.001 0.000 0.289 1012 T C 0.076 174.758 174.700 -0.029 0.000 1.082 1012 T CA -0.794 61.330 62.100 0.040 0.000 1.009 1012 T CB 1.359 70.320 68.868 0.155 0.000 1.234 1012 T HN 0.610 nan 8.240 nan 0.000 0.526 1013 T N 0.153 114.693 114.554 -0.023 0.000 2.795 1013 T HA 0.239 4.589 4.350 -0.001 0.000 0.314 1013 T C 1.615 176.234 174.700 -0.136 0.000 1.069 1013 T CA -0.741 61.321 62.100 -0.062 0.000 1.071 1013 T CB -0.044 68.804 68.868 -0.033 0.000 0.988 1013 T HN 0.564 nan 8.240 nan 0.000 0.543 1014 L N 0.951 122.075 121.223 -0.165 0.000 2.362 1014 L HA -0.031 4.308 4.340 -0.001 0.000 0.219 1014 L C 2.811 179.388 176.870 -0.488 0.000 1.134 1014 L CA 1.372 56.044 54.840 -0.280 0.000 0.807 1014 L CB -1.069 40.908 42.059 -0.136 0.000 0.927 1014 L HN 0.975 nan 8.230 nan 0.000 0.447 1015 T N -4.746 109.625 114.554 -0.306 0.000 3.129 1015 T HA 0.043 4.393 4.350 -0.001 0.000 0.251 1015 T C 0.831 175.424 174.700 -0.179 0.000 1.117 1015 T CA -0.198 61.754 62.100 -0.246 0.000 1.034 1015 T CB -0.322 68.526 68.868 -0.033 0.000 0.968 1015 T HN 0.319 nan 8.240 nan 0.000 0.526 1016 F N -0.746 119.215 119.950 0.018 0.000 2.914 1016 F HA -0.219 4.308 4.527 -0.001 0.000 0.304 1016 F C 1.096 176.895 175.800 -0.002 0.000 0.712 1016 F CA 0.129 58.132 58.000 0.005 0.000 1.211 1016 F CB -2.161 36.838 39.000 -0.002 0.000 1.515 1016 F HN 0.209 nan 8.300 nan 0.000 0.350 1017 L N -0.537 120.756 121.223 0.116 0.000 2.509 1017 L HA 0.087 4.427 4.340 -0.001 0.000 0.222 1017 L C 0.979 177.870 176.870 0.035 0.000 1.123 1017 L CA 0.946 55.826 54.840 0.067 0.000 0.856 1017 L CB 0.150 42.233 42.059 0.039 0.000 0.985 1017 L HN 0.327 nan 8.230 nan 0.000 0.456 1018 Q N 0.446 120.266 119.800 0.034 0.000 2.305 1018 Q HA 0.271 4.610 4.340 -0.001 0.000 0.271 1018 Q C -1.213 174.803 176.000 0.026 0.000 1.046 1018 Q CA -0.705 55.105 55.803 0.013 0.000 0.798 1018 Q CB 1.961 30.693 28.738 -0.010 0.000 1.286 1018 Q HN 0.077 nan 8.270 nan 0.000 0.435 1019 N N 4.293 123.006 118.700 0.022 0.000 2.458 1019 N HA 0.196 4.935 4.740 -0.001 0.000 0.270 1019 N C 0.305 175.830 175.510 0.025 0.000 1.102 1019 N CA 0.206 53.276 53.050 0.033 0.000 0.967 1019 N CB 1.092 39.592 38.487 0.021 0.000 1.078 1019 N HN 0.637 nan 8.380 nan 0.000 0.471 1020 L N 0.460 121.703 121.223 0.034 0.000 2.537 1020 L HA 0.310 4.650 4.340 -0.001 0.000 0.224 1020 L C 0.589 177.487 176.870 0.047 0.000 1.065 1020 L CA 0.376 55.231 54.840 0.025 0.000 0.860 1020 L CB 0.355 42.418 42.059 0.007 0.000 1.086 1020 L HN 0.524 nan 8.230 nan 0.000 0.482 1021 E N -0.453 119.795 120.200 0.079 0.000 2.354 1021 E HA 0.132 4.482 4.350 -0.001 0.000 0.283 1021 E C -1.393 175.310 176.600 0.171 0.000 0.938 1021 E CA -0.547 55.918 56.400 0.108 0.000 0.777 1021 E CB 1.581 31.339 29.700 0.096 0.000 1.222 1021 E HN 0.107 nan 8.360 nan 0.000 0.423 1022 H N 5.701 124.797 119.070 0.043 0.000 2.604 1022 H HA 0.358 4.913 4.556 -0.001 0.000 0.306 1022 H C -0.766 174.588 175.328 0.043 0.000 1.075 1022 H CA -0.633 55.438 56.048 0.038 0.000 1.357 1022 H CB 0.723 30.498 29.762 0.022 0.000 1.426 1022 H HN 0.350 nan 8.280 nan 0.000 0.470 1023 L N 5.129 126.358 121.223 0.010 0.000 2.275 1023 L HA 0.138 4.477 4.340 -0.001 0.000 0.288 1023 L C 0.045 176.813 176.870 -0.170 0.000 1.046 1023 L CA -0.701 54.105 54.840 -0.055 0.000 0.805 1023 L CB 1.256 43.337 42.059 0.035 0.000 1.193 1023 L HN 0.695 nan 8.230 nan 0.000 0.426 1024 D N 1.945 122.261 120.400 -0.139 0.000 2.424 1024 D HA 0.323 4.962 4.640 -0.001 0.000 0.244 1024 D C 1.039 177.299 176.300 -0.068 0.000 1.134 1024 D CA 1.436 55.359 54.000 -0.129 0.000 0.881 1024 D CB 1.073 41.819 40.800 -0.091 0.000 1.191 1024 D HN 0.768 nan 8.370 nan 0.000 0.445 1025 G N 2.673 111.441 108.800 -0.053 0.000 2.168 1025 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.263 1025 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.263 1025 G C 0.760 175.696 174.900 0.061 0.000 0.977 1025 G CA 0.411 45.511 45.100 -0.001 0.000 0.659 1025 G HN 0.656 nan 8.290 nan 0.000 0.533 1026 M N -2.539 117.073 119.600 0.019 0.000 2.653 1026 M HA -0.163 4.316 4.480 -0.001 0.000 0.203 1026 M C 0.261 176.605 176.300 0.073 0.000 0.502 1026 M CA 1.050 56.366 55.300 0.026 0.000 0.601 1026 M CB -1.737 30.865 32.600 0.003 0.000 2.228 1026 M HN 0.379 nan 8.290 nan 0.000 0.711 1027 V N 0.549 120.488 119.914 0.042 0.000 2.435 1027 V HA 0.810 4.929 4.120 -0.001 0.000 0.290 1027 V C 0.568 176.594 176.094 -0.114 0.000 1.030 1027 V CA -0.432 61.876 62.300 0.014 0.000 0.881 1027 V CB 1.844 33.663 31.823 -0.006 0.000 0.983 1027 V HN 0.354 nan 8.190 nan 0.000 0.445 1028 A N 7.681 130.350 122.820 -0.252 0.000 2.260 1028 A HA 0.787 5.107 4.320 -0.001 0.000 0.312 1028 A C -2.516 174.781 177.584 -0.478 0.000 1.321 1028 A CA -1.552 50.099 52.037 -0.644 0.000 0.928 1028 A CB 0.286 18.605 19.000 -1.134 0.000 1.158 1028 A HN 0.633 nan 8.150 nan 0.000 0.542 1029 P HA 0.187 nan 4.420 nan 0.000 0.272 1029 P C -0.095 177.190 177.300 -0.026 0.000 1.230 1029 P CA -0.164 62.885 63.100 -0.085 0.000 0.788 1029 P CB 0.592 32.306 31.700 0.024 0.000 0.949 1030 E N -0.276 119.928 120.200 0.006 0.000 2.371 1030 E HA 0.285 4.635 4.350 -0.001 0.000 0.257 1030 E C -0.048 176.604 176.600 0.086 0.000 1.134 1030 E CA -0.871 55.559 56.400 0.050 0.000 0.919 1030 E CB 0.579 30.289 29.700 0.017 0.000 1.025 1030 E HN 0.272 nan 8.360 nan 0.000 0.438 1031 V N -1.511 118.457 119.914 0.089 0.000 2.973 1031 V HA 0.368 4.488 4.120 -0.001 0.000 0.314 1031 V C 0.143 176.241 176.094 0.005 0.000 1.066 1031 V CA -1.088 61.252 62.300 0.067 0.000 1.021 1031 V CB 1.232 33.099 31.823 0.074 0.000 1.076 1031 V HN 0.741 nan 8.190 nan 0.000 0.462 1032 c N 2.465 121.063 118.600 -0.004 0.000 2.580 1032 c HA 0.443 5.012 4.570 -0.001 0.000 0.371 1032 c C -2.070 171.964 174.090 -0.093 0.000 1.308 1032 c CA -0.325 55.983 56.329 -0.036 0.000 2.428 1032 c CB -0.016 42.490 42.510 -0.008 0.000 2.529 1032 c HN 0.818 nan 8.230 nan 0.000 0.657 1033 P HA 0.048 nan 4.420 nan 0.000 0.265 1033 P C 0.265 177.411 177.300 -0.257 0.000 1.193 1033 P CA 0.884 63.847 63.100 -0.229 0.000 0.765 1033 P CB 0.179 31.725 31.700 -0.257 0.000 0.823 1034 M N -1.199 118.196 119.600 -0.343 0.000 2.907 1034 M HA -0.182 4.298 4.480 -0.001 0.000 0.186 1034 M C -0.140 176.151 176.300 -0.016 0.000 0.631 1034 M CA 1.376 56.458 55.300 -0.363 0.000 0.700 1034 M CB -2.059 29.994 32.600 -0.913 0.000 2.523 1034 M HN 0.415 nan 8.290 nan 0.000 0.323 1035 E N 0.353 120.541 120.200 -0.019 0.000 2.227 1035 E HA 0.718 5.067 4.350 -0.001 0.000 0.268 1035 E C 0.080 176.747 176.600 0.110 0.000 0.990 1035 E CA -0.116 56.356 56.400 0.120 0.000 0.856 1035 E CB 1.432 31.168 29.700 0.060 0.000 1.159 1035 E HN 0.138 nan 8.360 nan 0.000 0.401 1036 T N 0.510 115.148 114.554 0.139 0.000 2.881 1036 T HA 0.693 5.043 4.350 -0.001 0.000 0.290 1036 T C -0.860 173.849 174.700 0.014 0.000 1.000 1036 T CA -0.652 61.535 62.100 0.145 0.000 0.978 1036 T CB 1.596 70.558 68.868 0.157 0.000 0.997 1036 T HN 0.516 nan 8.240 nan 0.000 0.443 1037 A N 1.911 124.739 122.820 0.013 0.000 2.515 1037 A HA 1.007 5.327 4.320 -0.001 0.000 0.296 1037 A C -1.054 176.416 177.584 -0.191 0.000 1.094 1037 A CA -0.935 51.011 52.037 -0.152 0.000 0.718 1037 A CB 1.537 20.395 19.000 -0.236 0.000 1.307 1037 A HN 1.117 nan 8.150 nan 0.000 0.408 1038 A N 0.126 122.746 122.820 -0.334 0.000 2.365 1038 A HA 0.833 5.152 4.320 -0.001 0.000 0.318 1038 A C -1.510 175.884 177.584 -0.316 0.000 1.091 1038 A CA -0.367 51.588 52.037 -0.137 0.000 0.763 1038 A CB 0.784 19.743 19.000 -0.070 0.000 1.248 1038 A HN 0.863 nan 8.150 nan 0.000 0.442 1039 Y N 0.026 120.540 120.300 0.357 0.000 2.524 1039 Y HA 0.575 5.125 4.550 -0.001 0.000 0.347 1039 Y C -0.298 175.777 175.900 0.291 0.000 1.005 1039 Y CA -0.911 57.355 58.100 0.276 0.000 1.025 1039 Y CB 2.619 41.202 38.460 0.205 0.000 1.275 1039 Y HN 0.420 nan 8.280 nan 0.000 0.460 1040 V N 2.364 122.480 119.914 0.337 0.000 2.483 1040 V HA 0.456 4.576 4.120 -0.001 0.000 0.297 1040 V C -0.667 175.512 176.094 0.142 0.000 1.027 1040 V CA -0.895 61.498 62.300 0.154 0.000 0.855 1040 V CB 1.757 33.605 31.823 0.042 0.000 0.995 1040 V HN 0.826 nan 8.190 nan 0.000 0.424 1041 S N 3.457 119.248 115.700 0.153 0.000 2.541 1041 S HA 0.739 5.209 4.470 -0.001 0.000 0.283 1041 S C -0.237 174.298 174.600 -0.108 0.000 1.196 1041 S CA -0.602 57.616 58.200 0.029 0.000 1.062 1041 S CB 1.651 64.951 63.200 0.167 0.000 1.009 1041 S HN 0.559 nan 8.310 nan 0.000 0.502 1042 S N 2.228 117.729 115.700 -0.331 0.000 2.472 1042 S HA 0.544 5.014 4.470 -0.001 0.000 0.303 1042 S C -0.959 173.300 174.600 -0.569 0.000 1.099 1042 S CA -0.770 57.268 58.200 -0.269 0.000 1.077 1042 S CB 0.561 63.679 63.200 -0.137 0.000 1.031 1042 S HN 0.784 nan 8.310 nan 0.000 0.487 1043 H N 0.844 119.902 119.070 -0.020 0.000 2.679 1043 H HA 0.431 4.987 4.556 -0.001 0.000 0.360 1043 H C -0.226 175.097 175.328 -0.010 0.000 1.105 1043 H CA -0.614 55.426 56.048 -0.015 0.000 1.196 1043 H CB 1.829 31.584 29.762 -0.011 0.000 1.636 1043 H HN 0.671 nan 8.280 nan 0.000 0.531 1044 S N 0.000 115.743 115.700 0.072 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.227 58.200 0.044 0.000 1.107 1044 S CB 0.000 63.214 63.200 0.023 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517