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 2f7o_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.103 174.090 0.021 0.000 1.270 31 c CA 0.000 56.337 56.329 0.013 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.009 0.000 2.134 32 Q N 1.561 121.390 119.800 0.048 0.000 2.364 32 Q HA 0.184 4.524 4.340 -0.001 0.000 0.267 32 Q C -0.179 175.853 176.000 0.053 0.000 0.999 32 Q CA 0.421 56.268 55.803 0.073 0.000 0.886 32 Q CB 0.684 29.501 28.738 0.131 0.000 1.243 32 Q HN 0.709 nan 8.270 nan 0.000 0.415 33 D N 2.918 123.349 120.400 0.052 0.000 2.325 33 D HA 0.024 4.663 4.640 -0.001 0.000 0.251 33 D C 0.444 176.791 176.300 0.077 0.000 1.196 33 D CA -0.167 53.846 54.000 0.021 0.000 0.866 33 D CB 1.267 42.079 40.800 0.019 0.000 1.101 33 D HN 0.432 nan 8.370 nan 0.000 0.476 34 V N 2.316 122.230 119.914 0.000 0.000 3.633 34 V HA 0.092 4.211 4.120 -0.001 0.000 0.283 34 V C 0.990 177.143 176.094 0.099 0.000 1.305 34 V CA 0.122 62.485 62.300 0.106 0.000 1.153 34 V CB 0.151 31.873 31.823 -0.169 0.000 0.950 34 V HN 0.391 nan 8.190 nan 0.000 0.432 35 V N -0.256 119.637 119.914 -0.034 0.000 3.090 35 V HA 0.108 4.227 4.120 -0.001 0.000 0.237 35 V C 2.279 178.375 176.094 0.003 0.000 1.209 35 V CA 1.083 63.321 62.300 -0.103 0.000 1.209 35 V CB 0.111 31.814 31.823 -0.200 0.000 0.971 35 V HN 0.467 nan 8.190 nan 0.000 0.477 36 Q N -0.125 119.714 119.800 0.065 0.000 2.408 36 Q HA 0.099 4.438 4.340 -0.001 0.000 0.205 36 Q C -0.429 175.658 176.000 0.145 0.000 0.919 36 Q CA 0.387 56.245 55.803 0.092 0.000 0.932 36 Q CB 0.524 29.286 28.738 0.039 0.000 1.058 36 Q HN 0.509 nan 8.270 nan 0.000 0.517 37 D N 1.192 121.705 120.400 0.189 0.000 2.441 37 D HA 0.168 4.807 4.640 -0.001 0.000 0.231 37 D C -0.710 175.691 176.300 0.167 0.000 1.073 37 D CA -0.234 53.858 54.000 0.154 0.000 0.850 37 D CB 1.990 42.859 40.800 0.116 0.000 1.062 37 D HN -0.169 nan 8.370 nan 0.000 0.524 38 V N 4.459 124.439 119.914 0.109 0.000 2.446 38 V HA 0.127 4.246 4.120 -0.001 0.000 0.276 38 V C -1.799 174.266 176.094 -0.049 0.000 1.030 38 V CA -1.127 61.157 62.300 -0.028 0.000 1.033 38 V CB 0.317 32.138 31.823 -0.004 0.000 0.993 38 V HN 0.310 nan 8.190 nan 0.000 0.477 39 P HA 0.100 nan 4.420 nan 0.000 0.269 39 P C -0.468 176.802 177.300 -0.051 0.000 1.209 39 P CA -0.142 62.923 63.100 -0.059 0.000 0.776 39 P CB 0.363 32.011 31.700 -0.087 0.000 0.876 40 N N 2.218 120.903 118.700 -0.024 0.000 2.485 40 N HA 0.373 5.112 4.740 -0.001 0.000 0.243 40 N C -1.117 174.384 175.510 -0.015 0.000 0.987 40 N CA -0.480 52.559 53.050 -0.018 0.000 0.940 40 N CB 0.210 38.695 38.487 -0.003 0.000 1.122 40 N HN 0.134 nan 8.380 nan 0.000 0.509 41 V N 0.419 120.317 119.914 -0.025 0.000 3.001 41 V HA 0.544 4.663 4.120 -0.001 0.000 0.314 41 V C 0.463 176.544 176.094 -0.023 0.000 1.099 41 V CA -0.739 61.550 62.300 -0.019 0.000 0.989 41 V CB 2.099 33.901 31.823 -0.035 0.000 1.040 41 V HN 0.406 nan 8.190 nan 0.000 0.434 42 D N 0.974 121.367 120.400 -0.011 0.000 2.183 42 D HA 0.038 4.677 4.640 -0.001 0.000 0.203 42 D C 0.453 176.723 176.300 -0.049 0.000 0.969 42 D CA 1.543 55.533 54.000 -0.016 0.000 0.842 42 D CB 0.563 41.370 40.800 0.011 0.000 0.957 42 D HN 0.415 nan 8.370 nan 0.000 0.484 43 V N 1.450 121.314 119.914 -0.084 0.000 2.524 43 V HA 0.188 4.307 4.120 -0.001 0.000 0.297 43 V C -0.482 175.520 176.094 -0.153 0.000 1.035 43 V CA -0.774 61.448 62.300 -0.131 0.000 0.867 43 V CB 2.502 34.201 31.823 -0.206 0.000 1.004 43 V HN -0.104 nan 8.190 nan 0.000 0.426 44 Q N 4.688 124.410 119.800 -0.130 0.000 2.341 44 Q HA 0.445 4.784 4.340 -0.001 0.000 0.268 44 Q C 0.463 176.372 176.000 -0.153 0.000 1.013 44 Q CA -0.692 55.027 55.803 -0.139 0.000 0.798 44 Q CB 1.893 30.570 28.738 -0.103 0.000 1.253 44 Q HN 0.686 nan 8.270 nan 0.000 0.457 45 M N 3.094 122.557 119.600 -0.228 0.000 2.213 45 M HA -0.167 4.313 4.480 -0.001 0.000 0.263 45 M C 1.601 177.804 176.300 -0.161 0.000 1.062 45 M CA 0.970 56.127 55.300 -0.240 0.000 1.105 45 M CB -0.780 31.544 32.600 -0.459 0.000 1.385 45 M HN 0.551 nan 8.290 nan 0.000 0.417 46 L N 0.779 121.898 121.223 -0.172 0.000 2.093 46 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 46 L C 2.503 179.369 176.870 -0.007 0.000 1.085 46 L CA 1.795 56.566 54.840 -0.115 0.000 0.755 46 L CB -0.632 41.335 42.059 -0.153 0.000 0.904 46 L HN 0.277 nan 8.230 nan 0.000 0.435 47 E N -0.508 119.674 120.200 -0.030 0.000 2.107 47 E HA -0.209 4.140 4.350 -0.001 0.000 0.191 47 E C 2.174 178.787 176.600 0.021 0.000 0.982 47 E CA 1.185 57.581 56.400 -0.008 0.000 0.809 47 E CB -0.207 29.474 29.700 -0.031 0.000 0.756 47 E HN 0.432 nan 8.360 nan 0.000 0.459 48 L N 0.526 121.762 121.223 0.022 0.000 2.017 48 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 48 L C 2.233 179.164 176.870 0.100 0.000 1.073 48 L CA 1.681 56.540 54.840 0.031 0.000 0.745 48 L CB -1.057 41.012 42.059 0.017 0.000 0.894 48 L HN 0.111 nan 8.230 nan 0.000 0.432 49 Y N 0.075 120.373 120.300 -0.003 0.000 2.207 49 Y HA -0.265 4.284 4.550 -0.001 0.000 0.287 49 Y C 2.574 178.561 175.900 0.144 0.000 1.156 49 Y CA 1.795 59.979 58.100 0.139 0.000 1.182 49 Y CB -0.638 37.908 38.460 0.144 0.000 0.979 49 Y HN 0.366 nan 8.280 nan 0.000 0.521 50 D N -0.505 120.005 120.400 0.184 0.000 2.117 50 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 50 D C 2.071 178.405 176.300 0.057 0.000 0.987 50 D CA 1.390 55.451 54.000 0.102 0.000 0.829 50 D CB 0.031 40.866 40.800 0.059 0.000 0.961 50 D HN 0.271 nan 8.370 nan 0.000 0.460 51 R N -0.844 119.668 120.500 0.019 0.000 2.119 51 R HA 0.129 4.468 4.340 -0.001 0.000 0.222 51 R C 0.976 177.233 176.300 -0.071 0.000 1.088 51 R CA 0.095 56.180 56.100 -0.024 0.000 0.984 51 R CB -0.121 30.153 30.300 -0.043 0.000 0.884 51 R HN 0.233 nan 8.270 nan 0.000 0.447 52 M N 0.954 120.464 119.600 -0.150 0.000 2.252 52 M HA -0.074 4.405 4.480 -0.001 0.000 0.333 52 M C 1.616 177.770 176.300 -0.244 0.000 1.111 52 M CA 0.291 55.387 55.300 -0.339 0.000 1.140 52 M CB 1.180 33.290 32.600 -0.816 0.000 1.538 52 M HN 0.073 nan 8.290 nan 0.000 0.448 53 S N 1.891 117.453 115.700 -0.230 0.000 2.458 53 S HA 0.020 4.489 4.470 -0.001 0.000 0.223 53 S C 0.793 175.453 174.600 0.100 0.000 1.019 53 S CA 0.140 58.317 58.200 -0.038 0.000 0.937 53 S CB -0.135 63.043 63.200 -0.036 0.000 0.788 53 S HN 0.781 nan 8.310 nan 0.000 0.511 54 F N 0.241 120.115 119.950 -0.126 0.000 2.953 54 F HA -0.137 4.390 4.527 -0.001 0.000 0.292 54 F C 0.225 176.033 175.800 0.013 0.000 0.747 54 F CA 0.510 58.440 58.000 -0.117 0.000 1.222 54 F CB -1.928 36.979 39.000 -0.155 0.000 1.457 54 F HN 0.124 nan 8.300 nan 0.000 0.383 55 K N 1.240 121.718 120.400 0.129 0.000 2.436 55 K HA 0.132 4.451 4.320 -0.001 0.000 0.275 55 K C 0.337 177.049 176.600 0.187 0.000 0.999 55 K CA 0.051 56.419 56.287 0.136 0.000 0.980 55 K CB 0.423 32.964 32.500 0.068 0.000 0.919 55 K HN 0.093 nan 8.250 nan 0.000 0.484 56 D N 3.263 123.783 120.400 0.200 0.000 2.622 56 D HA 0.208 4.847 4.640 -0.001 0.000 0.262 56 D C -0.330 176.018 176.300 0.079 0.000 1.189 56 D CA -0.371 53.755 54.000 0.211 0.000 0.985 56 D CB -0.478 40.456 40.800 0.224 0.000 0.994 56 D HN 0.329 nan 8.370 nan 0.000 0.513 57 I N 0.894 121.498 120.570 0.056 0.000 2.581 57 I HA 0.105 4.275 4.170 -0.001 0.000 0.288 57 I C 0.798 176.906 176.117 -0.016 0.000 1.047 57 I CA -0.626 60.684 61.300 0.016 0.000 1.374 57 I CB 0.874 38.883 38.000 0.015 0.000 1.423 57 I HN 0.150 nan 8.210 nan 0.000 0.549 58 D N 4.539 124.928 120.400 -0.019 0.000 2.358 58 D HA 0.092 4.731 4.640 -0.001 0.000 0.258 58 D C 0.829 177.114 176.300 -0.026 0.000 1.223 58 D CA 0.043 54.025 54.000 -0.030 0.000 0.886 58 D CB 1.382 42.172 40.800 -0.017 0.000 1.120 58 D HN 0.704 nan 8.370 nan 0.000 0.482 59 G N 2.337 111.104 108.800 -0.056 0.000 3.189 59 G HA2 0.460 4.420 3.960 -0.001 0.000 0.225 59 G HA3 0.460 4.420 3.960 -0.001 0.000 0.225 59 G C 0.862 175.758 174.900 -0.007 0.000 1.159 59 G CA 0.350 45.420 45.100 -0.049 0.000 0.763 59 G HN 0.910 nan 8.290 nan 0.000 0.549 60 G N -0.499 108.303 108.800 0.003 0.000 2.475 60 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.223 60 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.223 60 G C 1.223 176.139 174.900 0.028 0.000 1.201 60 G CA 0.657 45.772 45.100 0.023 0.000 0.962 60 G HN 1.117 nan 8.290 nan 0.000 0.586 61 V N -3.587 116.344 119.914 0.028 0.000 2.490 61 V HA 0.097 4.216 4.120 -0.001 0.000 0.250 61 V C 1.428 177.546 176.094 0.040 0.000 1.061 61 V CA 2.397 64.698 62.300 0.002 0.000 1.064 61 V CB -0.516 31.279 31.823 -0.047 0.000 0.670 61 V HN 1.416 nan 8.190 nan 0.000 0.461 62 W N 2.603 123.809 121.300 -0.158 0.000 2.365 62 W HA 0.440 5.099 4.660 -0.002 0.000 0.371 62 W C 1.125 177.598 176.519 -0.076 0.000 1.006 62 W CA -1.786 55.450 57.345 -0.182 0.000 1.528 62 W CB 0.286 29.604 29.460 -0.237 0.000 1.497 62 W HN 0.037 nan 8.180 nan 0.000 0.367 63 K N 2.591 123.062 120.400 0.118 0.000 2.152 63 K HA -0.197 4.122 4.320 -0.001 0.000 0.206 63 K C 0.973 177.478 176.600 -0.159 0.000 1.048 63 K CA 1.567 57.834 56.287 -0.034 0.000 0.933 63 K CB 0.104 32.583 32.500 -0.034 0.000 0.721 63 K HN 0.578 nan 8.250 nan 0.000 0.447 64 Q N -0.931 118.732 119.800 -0.228 0.000 2.198 64 Q HA 0.148 4.487 4.340 -0.001 0.000 0.209 64 Q C 0.889 176.526 176.000 -0.606 0.000 0.848 64 Q CA -0.229 55.429 55.803 -0.243 0.000 0.974 64 Q CB 1.191 29.937 28.738 0.014 0.000 1.115 64 Q HN 0.231 nan 8.270 nan 0.000 0.494 65 G N 0.567 108.562 108.800 -1.341 0.000 3.387 65 G HA2 0.505 4.465 3.960 -0.001 0.000 0.194 65 G HA3 0.505 4.465 3.960 -0.001 0.000 0.194 65 G C -1.338 173.225 174.900 -0.562 0.000 1.417 65 G CA -0.251 43.752 45.100 -1.827 0.000 0.777 65 G HN 0.358 nan 8.290 nan 0.000 0.721 66 W N -1.500 119.518 121.300 -0.469 0.000 2.959 66 W HA 0.626 5.286 4.660 -0.001 0.000 0.358 66 W C -1.612 174.986 176.519 0.132 0.000 1.228 66 W CA -1.198 56.090 57.345 -0.095 0.000 1.183 66 W CB 0.526 29.945 29.460 -0.068 0.000 1.467 66 W HN 0.188 nan 8.180 nan 0.000 0.578 67 N N 2.021 120.876 118.700 0.258 0.000 2.399 67 N HA 0.228 4.967 4.740 -0.001 0.000 0.259 67 N C -0.297 175.366 175.510 0.255 0.000 1.160 67 N CA 0.040 53.197 53.050 0.180 0.000 0.946 67 N CB 0.226 38.815 38.487 0.171 0.000 1.156 67 N HN 0.413 nan 8.380 nan 0.000 0.489 68 I N 2.340 122.966 120.570 0.094 0.000 2.588 68 I HA 0.046 4.215 4.170 -0.001 0.000 0.283 68 I C 0.675 176.956 176.117 0.273 0.000 1.119 68 I CA 0.027 61.461 61.300 0.223 0.000 1.419 68 I CB 0.491 38.559 38.000 0.114 0.000 1.394 68 I HN 0.046 nan 8.210 nan 0.000 0.562 69 K N 6.388 126.982 120.400 0.324 0.000 2.259 69 K HA 0.537 4.856 4.320 -0.001 0.000 0.249 69 K C -0.990 175.765 176.600 0.258 0.000 0.942 69 K CA -0.717 55.685 56.287 0.190 0.000 0.816 69 K CB 2.291 34.872 32.500 0.136 0.000 1.155 69 K HN 0.522 nan 8.250 nan 0.000 0.428 70 Y N -2.075 118.314 120.300 0.148 0.000 2.609 70 Y HA 0.501 5.050 4.550 -0.002 0.000 0.342 70 Y C -0.777 175.191 175.900 0.113 0.000 1.058 70 Y CA -1.499 56.687 58.100 0.143 0.000 1.055 70 Y CB 1.193 39.756 38.460 0.173 0.000 1.292 70 Y HN 0.401 nan 8.280 nan 0.000 0.476 71 D N 3.441 124.000 120.400 0.265 0.000 2.347 71 D HA 0.317 4.957 4.640 -0.001 0.000 0.235 71 D C -1.708 174.760 176.300 0.280 0.000 1.149 71 D CA -2.814 51.279 54.000 0.156 0.000 0.850 71 D CB 1.562 42.424 40.800 0.103 0.000 1.061 71 D HN 0.412 nan 8.370 nan 0.000 0.487 72 P HA -0.128 nan 4.420 nan 0.000 0.220 72 P C 1.228 178.673 177.300 0.242 0.000 1.144 72 P CA 0.798 64.097 63.100 0.331 0.000 0.800 72 P CB 0.296 32.127 31.700 0.218 0.000 0.772 73 L N -0.644 120.670 121.223 0.152 0.000 2.612 73 L HA 0.114 4.453 4.340 -0.001 0.000 0.230 73 L C 2.586 179.497 176.870 0.067 0.000 1.140 73 L CA 0.273 55.178 54.840 0.109 0.000 0.896 73 L CB -0.658 41.445 42.059 0.073 0.000 1.065 73 L HN -0.029 nan 8.230 nan 0.000 0.447 74 K N 0.508 120.926 120.400 0.030 0.000 2.097 74 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 74 K C -0.082 176.373 176.600 -0.242 0.000 1.050 74 K CA 1.053 57.245 56.287 -0.158 0.000 0.938 74 K CB 0.130 32.468 32.500 -0.271 0.000 0.718 74 K HN 0.065 nan 8.250 nan 0.000 0.442 75 Y N 1.063 121.478 120.300 0.192 0.000 2.342 75 Y HA 0.248 4.798 4.550 -0.001 0.000 0.334 75 Y C -0.087 175.894 175.900 0.134 0.000 1.067 75 Y CA -1.058 57.142 58.100 0.167 0.000 1.128 75 Y CB 1.389 39.897 38.460 0.080 0.000 1.200 75 Y HN 0.288 nan 8.280 nan 0.000 0.464 76 N N -0.611 118.244 118.700 0.259 0.000 3.039 76 N HA 0.552 5.292 4.740 -0.001 0.000 0.257 76 N C 0.133 175.688 175.510 0.074 0.000 1.497 76 N CA -0.450 52.693 53.050 0.155 0.000 0.861 76 N CB 0.506 39.087 38.487 0.155 0.000 1.479 76 N HN 0.453 nan 8.380 nan 0.000 0.547 77 A N -1.041 121.747 122.820 -0.054 0.000 1.986 77 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 77 A C 0.962 178.335 177.584 -0.352 0.000 1.171 77 A CA 1.406 53.294 52.037 -0.249 0.000 0.640 77 A CB -1.116 17.645 19.000 -0.398 0.000 0.811 77 A HN 0.714 nan 8.150 nan 0.000 0.451 78 H N -2.857 116.270 119.070 0.095 0.000 2.526 78 H HA 0.157 4.712 4.556 -0.001 0.000 0.274 78 H C -0.377 175.062 175.328 0.185 0.000 0.999 78 H CA 0.752 56.863 56.048 0.104 0.000 1.157 78 H CB 0.066 29.877 29.762 0.080 0.000 1.407 78 H HN 0.732 nan 8.280 nan 0.000 0.568 79 H N 0.404 119.547 119.070 0.121 0.000 2.809 79 H HA 0.260 4.816 4.556 -0.001 0.000 0.268 79 H C -0.874 174.592 175.328 0.231 0.000 1.403 79 H CA -0.470 55.672 56.048 0.157 0.000 1.564 79 H CB 0.211 30.059 29.762 0.143 0.000 1.834 79 H HN -0.034 nan 8.280 nan 0.000 0.613 80 K N 2.162 122.526 120.400 -0.059 0.000 2.087 80 K HA 0.342 4.661 4.320 -0.001 0.000 0.255 80 K C -0.667 175.749 176.600 -0.306 0.000 0.988 80 K CA -1.275 54.950 56.287 -0.102 0.000 0.915 80 K CB 1.714 34.140 32.500 -0.125 0.000 1.043 80 K HN 0.217 nan 8.250 nan 0.000 0.457 81 L N 2.446 123.344 121.223 -0.541 0.000 2.281 81 L HA 0.167 4.506 4.340 -0.001 0.000 0.285 81 L C -0.884 175.697 176.870 -0.482 0.000 1.074 81 L CA 0.252 54.627 54.840 -0.775 0.000 0.817 81 L CB 0.190 41.581 42.059 -1.114 0.000 1.168 81 L HN 0.394 nan 8.230 nan 0.000 0.434 82 K N 4.669 124.820 120.400 -0.416 0.000 2.234 82 K HA 0.554 4.873 4.320 -0.001 0.000 0.277 82 K C -1.166 175.088 176.600 -0.577 0.000 1.038 82 K CA -0.630 55.371 56.287 -0.476 0.000 0.888 82 K CB 1.668 33.943 32.500 -0.374 0.000 1.091 82 K HN 0.403 nan 8.250 nan 0.000 0.467 83 V N 4.595 124.048 119.914 -0.769 0.000 2.409 83 V HA 0.376 4.495 4.120 -0.001 0.000 0.291 83 V C -0.945 174.591 176.094 -0.929 0.000 1.020 83 V CA -0.832 60.967 62.300 -0.835 0.000 0.848 83 V CB 0.688 31.835 31.823 -1.126 0.000 0.990 83 V HN 0.550 nan 8.190 nan 0.000 0.430 84 F N 3.655 123.345 119.950 -0.433 0.000 2.361 84 F HA 0.526 5.052 4.527 -0.002 0.000 0.364 84 F C 0.156 175.771 175.800 -0.309 0.000 1.117 84 F CA -0.719 57.086 58.000 -0.326 0.000 1.071 84 F CB 1.812 40.690 39.000 -0.203 0.000 1.188 84 F HN 0.183 nan 8.300 nan 0.000 0.464 85 V N 5.092 124.962 119.914 -0.072 0.000 2.364 85 V HA 0.329 4.448 4.120 -0.001 0.000 0.272 85 V C -0.264 175.931 176.094 0.168 0.000 1.036 85 V CA -0.675 61.652 62.300 0.045 0.000 0.880 85 V CB 1.313 33.235 31.823 0.164 0.000 0.991 85 V HN 0.435 nan 8.190 nan 0.000 0.460 86 V N 8.281 128.243 119.914 0.079 0.000 2.293 86 V HA 0.321 4.441 4.120 -0.001 0.000 0.275 86 V C -2.359 173.775 176.094 0.067 0.000 1.021 86 V CA -1.959 60.357 62.300 0.026 0.000 0.815 86 V CB 1.413 33.160 31.823 -0.127 0.000 1.025 86 V HN 0.715 nan 8.190 nan 0.000 0.448 87 P HA 0.338 nan 4.420 nan 0.000 0.271 87 P C -0.858 176.458 177.300 0.026 0.000 1.216 87 P CA 0.252 63.326 63.100 -0.043 0.000 0.776 87 P CB 0.373 31.840 31.700 -0.387 0.000 0.881 88 H N -1.254 117.839 119.070 0.039 0.000 3.014 88 H HA 0.774 5.329 4.556 -0.001 0.000 0.337 88 H C -1.546 173.918 175.328 0.226 0.000 1.320 88 H CA -1.077 54.902 56.048 -0.116 0.000 1.128 88 H CB 0.895 30.522 29.762 -0.225 0.000 1.862 88 H HN 0.194 nan 8.280 nan 0.000 0.536 89 S N 0.822 116.552 115.700 0.049 0.000 2.776 89 S HA 0.211 4.680 4.470 -0.001 0.000 0.284 89 S C -1.795 172.743 174.600 -0.103 0.000 1.160 89 S CA -0.659 57.609 58.200 0.112 0.000 1.051 89 S CB 0.125 63.583 63.200 0.430 0.000 1.037 89 S HN 0.839 nan 8.310 nan 0.000 0.485 90 H N 4.428 123.403 119.070 -0.158 0.000 2.800 90 H HA 0.416 4.971 4.556 -0.001 0.000 0.291 90 H C -0.098 174.840 175.328 -0.650 0.000 1.076 90 H CA 0.340 56.208 56.048 -0.300 0.000 1.452 90 H CB 0.260 29.905 29.762 -0.194 0.000 1.461 90 H HN 0.559 nan 8.280 nan 0.000 0.488 91 N N 5.611 123.695 118.700 -1.026 0.000 2.518 91 N HA 0.069 4.808 4.740 -0.001 0.000 0.254 91 N C -1.179 173.894 175.510 -0.728 0.000 0.979 91 N CA -0.610 51.702 53.050 -1.230 0.000 0.930 91 N CB 1.141 39.187 38.487 -0.735 0.000 1.152 91 N HN 0.663 nan 8.380 nan 0.000 0.505 92 D N 2.594 122.593 120.400 -0.668 0.000 2.348 92 D HA 0.127 4.767 4.640 -0.001 0.000 0.253 92 D C -2.105 174.254 176.300 0.099 0.000 1.161 92 D CA -0.900 52.964 54.000 -0.226 0.000 0.876 92 D CB 1.661 42.582 40.800 0.202 0.000 1.160 92 D HN 0.187 nan 8.370 nan 0.000 0.459 93 P HA 0.228 nan 4.420 nan 0.000 0.220 93 P C -0.223 177.294 177.300 0.362 0.000 1.806 93 P CA -0.096 63.037 63.100 0.055 0.000 0.976 93 P CB 0.348 31.952 31.700 -0.160 0.000 1.952 94 G N 0.172 109.342 108.800 0.616 0.000 3.055 94 G HA2 0.051 4.010 3.960 -0.001 0.000 0.685 94 G HA3 0.051 4.010 3.960 -0.001 0.000 0.685 94 G C -1.250 174.190 174.900 0.900 0.000 1.212 94 G CA -0.763 44.739 45.100 0.671 0.000 0.822 94 G HN 0.327 nan 8.290 nan 0.000 0.610 95 W N 2.517 124.168 121.300 0.586 0.000 4.485 95 W HA 0.329 4.988 4.660 -0.001 0.000 0.167 95 W C 0.912 177.603 176.519 0.287 0.000 3.472 95 W CA 0.769 58.416 57.345 0.504 0.000 1.139 95 W CB -0.706 29.131 29.460 0.628 0.000 2.115 95 W HN 0.481 nan 8.180 nan 0.000 0.351 96 I N 1.961 122.515 120.570 -0.027 0.000 3.059 96 I HA 0.113 4.282 4.170 -0.001 0.000 0.270 96 I C 0.283 176.246 176.117 -0.257 0.000 1.238 96 I CA 1.180 62.279 61.300 -0.334 0.000 1.478 96 I CB -1.191 36.615 38.000 -0.324 0.000 1.097 96 I HN 0.133 nan 8.210 nan 0.000 0.455 97 Q N -0.341 119.180 119.800 -0.465 0.000 2.544 97 Q HA 0.371 4.710 4.340 -0.001 0.000 0.291 97 Q C 0.032 175.793 176.000 -0.399 0.000 1.068 97 Q CA -0.640 54.834 55.803 -0.548 0.000 0.785 97 Q CB 2.193 30.334 28.738 -0.995 0.000 1.481 97 Q HN 0.206 nan 8.270 nan 0.000 0.430 98 T N -2.282 112.142 114.554 -0.216 0.000 2.816 98 T HA 0.192 4.541 4.350 -0.001 0.000 0.282 98 T C 0.761 175.568 174.700 0.177 0.000 0.993 98 T CA -0.499 61.559 62.100 -0.069 0.000 0.994 98 T CB 0.332 69.182 68.868 -0.029 0.000 1.025 98 T HN 0.564 nan 8.240 nan 0.000 0.529 99 F N 1.094 121.112 119.950 0.112 0.000 2.091 99 F HA -0.113 4.413 4.527 -0.001 0.000 0.299 99 F C 2.465 178.448 175.800 0.304 0.000 1.103 99 F CA 2.289 60.432 58.000 0.239 0.000 1.228 99 F CB -0.322 38.710 39.000 0.054 0.000 0.984 99 F HN 0.760 nan 8.300 nan 0.000 0.477 100 E N 0.451 120.884 120.200 0.388 0.000 2.106 100 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 100 E C 2.010 178.664 176.600 0.089 0.000 0.984 100 E CA 1.716 58.273 56.400 0.262 0.000 0.806 100 E CB -0.278 29.569 29.700 0.245 0.000 0.750 100 E HN 0.607 nan 8.360 nan 0.000 0.458 101 E N -1.009 119.181 120.200 -0.016 0.000 2.051 101 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 101 E C 1.834 178.221 176.600 -0.355 0.000 0.991 101 E CA 1.199 57.420 56.400 -0.298 0.000 0.799 101 E CB -0.254 29.330 29.700 -0.194 0.000 0.748 101 E HN 0.355 nan 8.360 nan 0.000 0.449 102 Y N -0.649 119.591 120.300 -0.100 0.000 2.242 102 Y HA -0.231 4.318 4.550 -0.001 0.000 0.291 102 Y C 2.166 177.998 175.900 -0.114 0.000 1.137 102 Y CA 1.131 59.159 58.100 -0.119 0.000 1.181 102 Y CB -0.593 37.876 38.460 0.016 0.000 0.989 102 Y HN 0.186 nan 8.280 nan 0.000 0.527 103 Y N 0.772 121.079 120.300 0.013 0.000 2.181 103 Y HA -0.255 4.294 4.550 -0.001 0.000 0.288 103 Y C 2.228 178.093 175.900 -0.058 0.000 1.146 103 Y CA 1.693 59.754 58.100 -0.064 0.000 1.164 103 Y CB -0.282 38.139 38.460 -0.066 0.000 0.982 103 Y HN 0.031 nan 8.280 nan 0.000 0.515 104 Q N -0.596 119.101 119.800 -0.172 0.000 2.083 104 Q HA -0.145 4.194 4.340 -0.001 0.000 0.198 104 Q C 2.095 178.070 176.000 -0.042 0.000 0.969 104 Q CA 2.112 57.791 55.803 -0.207 0.000 0.838 104 Q CB -0.536 28.122 28.738 -0.134 0.000 0.900 104 Q HN 0.773 nan 8.270 nan 0.000 0.436 105 H N -0.746 118.342 119.070 0.030 0.000 2.497 105 H HA 0.058 4.613 4.556 -0.001 0.000 0.282 105 H C 0.878 176.299 175.328 0.154 0.000 1.003 105 H CA 0.689 56.791 56.048 0.088 0.000 1.307 105 H CB 0.681 30.463 29.762 0.034 0.000 1.437 105 H HN 0.218 nan 8.280 nan 0.000 0.544 106 D N -0.984 119.523 120.400 0.179 0.000 2.954 106 D HA 0.007 4.646 4.640 -0.001 0.000 0.266 106 D C 1.697 178.065 176.300 0.114 0.000 1.277 106 D CA 0.489 54.588 54.000 0.164 0.000 1.130 106 D CB -0.023 40.792 40.800 0.025 0.000 1.440 106 D HN 0.064 nan 8.370 nan 0.000 0.427 107 T N 2.521 117.067 114.554 -0.013 0.000 2.788 107 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 107 T C 1.958 176.525 174.700 -0.222 0.000 1.044 107 T CA 1.504 63.558 62.100 -0.077 0.000 1.139 107 T CB -0.109 68.544 68.868 -0.358 0.000 0.867 107 T HN 0.247 nan 8.240 nan 0.000 0.454 108 K N 0.693 120.774 120.400 -0.531 0.000 2.209 108 K HA -0.158 4.161 4.320 -0.001 0.000 0.204 108 K C 1.933 178.322 176.600 -0.351 0.000 1.048 108 K CA 1.410 57.374 56.287 -0.540 0.000 0.940 108 K CB -0.346 31.560 32.500 -0.989 0.000 0.729 108 K HN 0.398 nan 8.250 nan 0.000 0.451 109 H N 0.994 120.004 119.070 -0.099 0.000 2.363 109 H HA 0.057 4.612 4.556 -0.001 0.000 0.301 109 H C 2.287 177.634 175.328 0.031 0.000 1.074 109 H CA 1.432 57.479 56.048 -0.003 0.000 1.354 109 H CB -0.117 29.666 29.762 0.036 0.000 1.397 109 H HN 0.189 nan 8.280 nan 0.000 0.516 110 I N 0.731 121.403 120.570 0.170 0.000 2.163 110 I HA -0.272 3.898 4.170 -0.001 0.000 0.243 110 I C 2.418 178.575 176.117 0.066 0.000 1.085 110 I CA 1.098 62.545 61.300 0.244 0.000 1.347 110 I CB -0.247 37.961 38.000 0.346 0.000 1.044 110 I HN 0.098 nan 8.210 nan 0.000 0.408 111 L N -0.517 120.529 121.223 -0.296 0.000 2.109 111 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 111 L C 2.710 179.224 176.870 -0.593 0.000 1.086 111 L CA 1.096 55.500 54.840 -0.726 0.000 0.760 111 L CB -0.470 40.569 42.059 -1.699 0.000 0.910 111 L HN 0.225 nan 8.230 nan 0.000 0.437 112 S N 0.129 115.622 115.700 -0.345 0.000 2.368 112 S HA -0.133 4.336 4.470 -0.001 0.000 0.224 112 S C 1.780 176.356 174.600 -0.041 0.000 1.029 112 S CA 1.385 59.602 58.200 0.028 0.000 0.988 112 S CB -0.129 63.167 63.200 0.159 0.000 0.838 112 S HN 0.440 nan 8.310 nan 0.000 0.462 113 N N 1.447 120.122 118.700 -0.041 0.000 2.354 113 N HA 0.152 4.891 4.740 -0.001 0.000 0.179 113 N C 1.744 176.923 175.510 -0.551 0.000 1.021 113 N CA 0.997 53.959 53.050 -0.146 0.000 0.887 113 N CB -0.631 37.891 38.487 0.059 0.000 0.974 113 N HN 0.488 nan 8.380 nan 0.000 0.437 114 A N 1.180 123.740 122.820 -0.434 0.000 1.873 114 A HA -0.079 4.240 4.320 -0.001 0.000 0.215 114 A C 2.176 179.476 177.584 -0.475 0.000 1.186 114 A CA 0.878 52.482 52.037 -0.721 0.000 0.616 114 A CB -0.704 18.175 19.000 -0.201 0.000 0.823 114 A HN 0.213 nan 8.150 nan 0.000 0.442 115 L N -0.010 121.081 121.223 -0.219 0.000 2.042 115 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 115 L C 2.438 179.234 176.870 -0.123 0.000 1.076 115 L CA 2.412 57.199 54.840 -0.089 0.000 0.749 115 L CB -0.660 41.419 42.059 0.032 0.000 0.893 115 L HN 0.434 nan 8.230 nan 0.000 0.432 116 R N -1.246 119.144 120.500 -0.183 0.000 2.066 116 R HA -0.192 4.147 4.340 -0.001 0.000 0.232 116 R C 2.363 178.522 176.300 -0.234 0.000 1.131 116 R CA 1.861 57.858 56.100 -0.172 0.000 0.955 116 R CB -0.836 29.363 30.300 -0.167 0.000 0.851 116 R HN 0.566 nan 8.270 nan 0.000 0.432 117 H N 0.498 119.274 119.070 -0.490 0.000 2.395 117 H HA 0.003 4.558 4.556 -0.001 0.000 0.299 117 H C 2.153 177.251 175.328 -0.383 0.000 1.070 117 H CA 1.489 57.228 56.048 -0.516 0.000 1.356 117 H CB 0.184 29.374 29.762 -0.953 0.000 1.401 117 H HN 0.176 nan 8.280 nan 0.000 0.524 118 L N -0.446 120.600 121.223 -0.294 0.000 2.109 118 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 118 L C 2.724 179.551 176.870 -0.070 0.000 1.086 118 L CA 0.910 55.658 54.840 -0.152 0.000 0.760 118 L CB -0.635 41.345 42.059 -0.131 0.000 0.910 118 L HN 0.373 nan 8.230 nan 0.000 0.437 119 H N 0.809 119.802 119.070 -0.129 0.000 2.319 119 H HA -0.206 4.349 4.556 -0.001 0.000 0.299 119 H C 1.286 176.563 175.328 -0.086 0.000 1.092 119 H CA 2.129 58.127 56.048 -0.083 0.000 1.302 119 H CB 0.219 29.933 29.762 -0.081 0.000 1.373 119 H HN 0.323 nan 8.280 nan 0.000 0.497 120 D N 0.341 120.684 120.400 -0.096 0.000 2.317 120 D HA -0.014 4.625 4.640 -0.001 0.000 0.211 120 D C 0.033 176.261 176.300 -0.121 0.000 0.966 120 D CA 0.518 54.437 54.000 -0.136 0.000 0.876 120 D CB 0.005 40.728 40.800 -0.128 0.000 0.927 120 D HN 0.330 nan 8.370 nan 0.000 0.519 121 N N 1.164 119.811 118.700 -0.088 0.000 2.746 121 N HA 0.107 4.846 4.740 -0.001 0.000 0.250 121 N C -2.034 173.472 175.510 -0.007 0.000 1.146 121 N CA -1.072 51.969 53.050 -0.015 0.000 0.828 121 N CB 2.449 40.971 38.487 0.058 0.000 1.158 121 N HN -0.072 nan 8.380 nan 0.000 0.519 122 P HA -0.227 nan 4.420 nan 0.000 0.217 122 P C 1.144 178.468 177.300 0.039 0.000 1.148 122 P CA 1.546 64.641 63.100 -0.008 0.000 0.834 122 P CB 0.426 32.116 31.700 -0.017 0.000 0.783 123 E N -0.910 119.342 120.200 0.087 0.000 2.371 123 E HA -0.042 4.307 4.350 -0.001 0.000 0.194 123 E C 0.915 177.639 176.600 0.206 0.000 1.012 123 E CA 0.077 56.574 56.400 0.160 0.000 0.860 123 E CB -0.628 29.207 29.700 0.225 0.000 0.811 123 E HN 0.170 nan 8.360 nan 0.000 0.502 124 M N 1.911 121.565 119.600 0.091 0.000 2.242 124 M HA 0.214 4.693 4.480 -0.001 0.000 0.344 124 M C -0.524 175.751 176.300 -0.042 0.000 1.140 124 M CA -0.099 55.148 55.300 -0.087 0.000 1.160 124 M CB 0.752 33.300 32.600 -0.086 0.000 1.491 124 M HN -0.294 nan 8.290 nan 0.000 0.459 125 K N 3.030 123.369 120.400 -0.100 0.000 2.395 125 K HA 0.663 4.982 4.320 -0.001 0.000 0.247 125 K C -1.724 174.911 176.600 0.059 0.000 0.973 125 K CA -0.407 55.881 56.287 0.003 0.000 0.828 125 K CB 2.044 34.575 32.500 0.052 0.000 1.272 125 K HN 0.679 nan 8.250 nan 0.000 0.439 126 F N 1.432 121.296 119.950 -0.144 0.000 2.672 126 F HA 0.458 4.984 4.527 -0.001 0.000 0.311 126 F C -1.424 174.269 175.800 -0.179 0.000 1.113 126 F CA -1.305 56.597 58.000 -0.163 0.000 0.996 126 F CB 1.009 39.999 39.000 -0.018 0.000 1.286 126 F HN 0.450 nan 8.300 nan 0.000 0.441 127 I N 1.803 122.031 120.570 -0.571 0.000 2.648 127 I HA 0.602 4.771 4.170 -0.001 0.000 0.304 127 I C -1.704 173.961 176.117 -0.753 0.000 1.009 127 I CA -0.601 60.322 61.300 -0.628 0.000 1.114 127 I CB 2.474 40.048 38.000 -0.710 0.000 1.293 127 I HN 0.699 nan 8.210 nan 0.000 0.449 128 W N 4.500 125.388 121.300 -0.687 0.000 2.957 128 W HA 0.631 5.290 4.660 -0.001 0.000 0.336 128 W C -0.776 175.656 176.519 -0.146 0.000 1.087 128 W CA -0.533 56.545 57.345 -0.446 0.000 1.235 128 W CB 2.677 31.924 29.460 -0.355 0.000 1.399 128 W HN 0.787 nan 8.180 nan 0.000 0.480 129 A N 3.421 125.839 122.820 -0.669 0.000 1.984 129 A HA 0.166 4.485 4.320 -0.001 0.000 0.203 129 A C -0.047 177.475 177.584 -0.103 0.000 1.292 129 A CA 0.454 52.351 52.037 -0.233 0.000 0.782 129 A CB 0.003 18.926 19.000 -0.129 0.000 0.924 129 A HN 0.497 nan 8.150 nan 0.000 0.475 130 E N 1.008 121.037 120.200 -0.284 0.000 2.001 130 E HA 0.310 4.660 4.350 -0.001 0.000 0.279 130 E C 0.425 177.194 176.600 0.281 0.000 1.045 130 E CA -0.286 56.128 56.400 0.023 0.000 0.833 130 E CB 0.766 30.471 29.700 0.009 0.000 1.077 130 E HN 0.263 nan 8.360 nan 0.000 0.397 131 I N 1.602 122.231 120.570 0.098 0.000 2.761 131 I HA -0.193 3.977 4.170 -0.001 0.000 0.261 131 I C 1.953 177.758 176.117 -0.520 0.000 1.198 131 I CA 0.910 62.201 61.300 -0.015 0.000 1.482 131 I CB -1.373 36.661 38.000 0.056 0.000 1.100 131 I HN 0.430 nan 8.210 nan 0.000 0.445 132 S N 1.165 116.252 115.700 -1.022 0.000 2.359 132 S HA -0.274 4.195 4.470 -0.001 0.000 0.223 132 S C 2.159 176.473 174.600 -0.477 0.000 1.039 132 S CA 1.321 58.520 58.200 -1.667 0.000 1.042 132 S CB -1.094 61.194 63.200 -1.521 0.000 0.915 132 S HN 0.347 nan 8.310 nan 0.000 0.439 133 Y N 0.738 121.057 120.300 0.031 0.000 2.181 133 Y HA 0.080 4.630 4.550 -0.001 0.000 0.288 133 Y C 2.237 178.197 175.900 0.100 0.000 1.146 133 Y CA 0.488 58.681 58.100 0.155 0.000 1.164 133 Y CB -0.960 37.692 38.460 0.320 0.000 0.982 133 Y HN 0.340 nan 8.280 nan 0.000 0.515 134 F N -0.143 119.874 119.950 0.110 0.000 2.146 134 F HA -0.144 4.382 4.527 -0.001 0.000 0.298 134 F C 2.358 177.974 175.800 -0.306 0.000 1.096 134 F CA 1.240 59.180 58.000 -0.101 0.000 1.275 134 F CB -0.488 38.435 39.000 -0.128 0.000 1.008 134 F HN -0.021 nan 8.300 nan 0.000 0.480 135 A N 0.311 122.776 122.820 -0.592 0.000 1.902 135 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 135 A C 2.148 179.640 177.584 -0.154 0.000 1.181 135 A CA 1.882 53.405 52.037 -0.857 0.000 0.623 135 A CB -0.795 17.596 19.000 -1.015 0.000 0.818 135 A HN 0.403 nan 8.150 nan 0.000 0.443 136 R N -1.054 119.378 120.500 -0.112 0.000 2.091 136 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 136 R C 1.744 177.978 176.300 -0.110 0.000 1.136 136 R CA 2.106 58.142 56.100 -0.106 0.000 0.959 136 R CB -0.843 29.335 30.300 -0.203 0.000 0.856 136 R HN 0.490 nan 8.270 nan 0.000 0.437 137 F N -0.395 119.461 119.950 -0.156 0.000 2.098 137 F HA -0.073 4.454 4.527 -0.001 0.000 0.294 137 F C 1.943 177.670 175.800 -0.121 0.000 1.107 137 F CA 1.469 59.445 58.000 -0.039 0.000 1.234 137 F CB -0.774 38.148 39.000 -0.131 0.000 1.002 137 F HN 0.109 nan 8.300 nan 0.000 0.472 138 Y N 0.192 120.261 120.300 -0.386 0.000 2.274 138 Y HA -0.254 4.296 4.550 -0.001 0.000 0.290 138 Y C 2.589 178.273 175.900 -0.359 0.000 1.145 138 Y CA 2.140 59.998 58.100 -0.405 0.000 1.203 138 Y CB -0.628 37.730 38.460 -0.170 0.000 0.984 138 Y HN 0.150 nan 8.280 nan 0.000 0.533 139 H N -0.934 118.137 119.070 0.002 0.000 2.524 139 H HA -0.052 4.503 4.556 -0.001 0.000 0.282 139 H C 0.838 176.065 175.328 -0.169 0.000 1.016 139 H CA 1.362 57.374 56.048 -0.061 0.000 1.270 139 H CB 0.010 29.784 29.762 0.020 0.000 1.394 139 H HN 0.470 nan 8.280 nan 0.000 0.568 140 D N 0.044 120.351 120.400 -0.156 0.000 2.339 140 D HA 0.089 4.728 4.640 -0.001 0.000 0.217 140 D C 0.495 176.608 176.300 -0.311 0.000 1.050 140 D CA 0.078 53.967 54.000 -0.185 0.000 0.856 140 D CB 0.403 41.126 40.800 -0.130 0.000 0.922 140 D HN 0.178 nan 8.370 nan 0.000 0.518 141 L N 0.393 121.335 121.223 -0.468 0.000 2.395 141 L HA 0.396 4.735 4.340 -0.001 0.000 0.269 141 L C 1.329 178.004 176.870 -0.324 0.000 1.133 141 L CA -0.752 53.811 54.840 -0.463 0.000 0.812 141 L CB 1.008 42.713 42.059 -0.590 0.000 1.125 141 L HN -0.035 nan 8.230 nan 0.000 0.452 142 G N 0.323 108.981 108.800 -0.237 0.000 2.539 142 G HA2 0.079 4.038 3.960 -0.001 0.000 0.258 142 G HA3 0.079 4.038 3.960 -0.001 0.000 0.258 142 G C 0.598 175.396 174.900 -0.169 0.000 1.202 142 G CA -0.286 44.716 45.100 -0.163 0.000 0.851 142 G HN 0.758 nan 8.290 nan 0.000 0.556 143 E N 0.196 120.327 120.200 -0.116 0.000 2.130 143 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 143 E C 2.163 178.720 176.600 -0.071 0.000 0.998 143 E CA 1.523 57.870 56.400 -0.087 0.000 0.806 143 E CB -0.106 29.569 29.700 -0.042 0.000 0.738 143 E HN 0.600 nan 8.360 nan 0.000 0.459 144 N N -0.048 118.611 118.700 -0.069 0.000 2.084 144 N HA -0.167 4.572 4.740 -0.001 0.000 0.190 144 N C 1.376 176.846 175.510 -0.066 0.000 1.030 144 N CA 1.203 54.220 53.050 -0.055 0.000 0.849 144 N CB 0.047 38.500 38.487 -0.057 0.000 1.012 144 N HN -0.003 nan 8.380 nan 0.000 0.423 145 K N 1.437 121.778 120.400 -0.099 0.000 2.148 145 K HA -0.036 4.283 4.320 -0.001 0.000 0.204 145 K C 1.992 178.553 176.600 -0.065 0.000 1.050 145 K CA 0.737 56.968 56.287 -0.095 0.000 0.942 145 K CB -0.242 32.180 32.500 -0.130 0.000 0.724 145 K HN 0.336 nan 8.250 nan 0.000 0.446 146 K N 0.709 121.025 120.400 -0.141 0.000 2.063 146 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 146 K C 2.265 178.937 176.600 0.121 0.000 1.048 146 K CA 1.036 57.260 56.287 -0.104 0.000 0.928 146 K CB -0.211 32.121 32.500 -0.281 0.000 0.713 146 K HN 0.045 nan 8.250 nan 0.000 0.442 147 L N 1.101 122.362 121.223 0.064 0.000 2.046 147 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 147 L C 2.566 179.500 176.870 0.108 0.000 1.077 147 L CA 1.298 56.194 54.840 0.093 0.000 0.747 147 L CB -0.385 41.706 42.059 0.054 0.000 0.896 147 L HN 0.264 nan 8.230 nan 0.000 0.432 148 Q N -0.911 118.935 119.800 0.076 0.000 2.124 148 Q HA -0.267 4.073 4.340 -0.001 0.000 0.202 148 Q C 2.185 178.278 176.000 0.155 0.000 0.977 148 Q CA 1.672 57.533 55.803 0.097 0.000 0.850 148 Q CB -0.181 28.556 28.738 -0.002 0.000 0.901 148 Q HN 0.374 nan 8.270 nan 0.000 0.429 149 M N 1.108 120.826 119.600 0.196 0.000 2.099 149 M HA -0.134 4.345 4.480 -0.001 0.000 0.262 149 M C 1.618 178.101 176.300 0.306 0.000 1.067 149 M CA 1.735 57.215 55.300 0.300 0.000 1.124 149 M CB 0.043 32.919 32.600 0.460 0.000 1.353 149 M HN -0.108 nan 8.290 nan 0.000 0.410 150 K N -1.020 119.559 120.400 0.298 0.000 2.103 150 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 150 K C 2.271 178.968 176.600 0.163 0.000 1.048 150 K CA 1.586 58.015 56.287 0.236 0.000 0.930 150 K CB -0.433 32.192 32.500 0.208 0.000 0.716 150 K HN 0.408 nan 8.250 nan 0.000 0.444 151 S N 1.444 117.231 115.700 0.145 0.000 2.383 151 S HA -0.083 4.386 4.470 -0.001 0.000 0.227 151 S C 1.920 176.576 174.600 0.093 0.000 1.026 151 S CA 0.985 59.249 58.200 0.107 0.000 0.981 151 S CB -0.219 63.044 63.200 0.105 0.000 0.818 151 S HN 0.379 nan 8.310 nan 0.000 0.472 152 I N -1.093 119.543 120.570 0.110 0.000 2.928 152 I HA 0.088 4.257 4.170 -0.001 0.000 0.266 152 I C 1.832 177.982 176.117 0.055 0.000 1.234 152 I CA 0.530 61.875 61.300 0.075 0.000 1.483 152 I CB -0.290 37.755 38.000 0.074 0.000 1.097 152 I HN 0.077 nan 8.210 nan 0.000 0.455 153 V N 1.544 121.511 119.914 0.088 0.000 2.379 153 V HA -0.166 3.953 4.120 -0.001 0.000 0.243 153 V C 2.684 178.811 176.094 0.055 0.000 1.035 153 V CA 1.955 64.293 62.300 0.064 0.000 1.035 153 V CB -0.582 31.341 31.823 0.167 0.000 0.673 153 V HN 0.413 nan 8.190 nan 0.000 0.457 154 K N 1.646 122.087 120.400 0.069 0.000 2.103 154 K HA -0.219 4.100 4.320 -0.001 0.000 0.207 154 K C 1.713 178.329 176.600 0.027 0.000 1.048 154 K CA 1.852 58.167 56.287 0.047 0.000 0.930 154 K CB -0.228 32.302 32.500 0.050 0.000 0.716 154 K HN 0.659 nan 8.250 nan 0.000 0.444 155 N N -0.543 118.174 118.700 0.027 0.000 2.461 155 N HA 0.007 4.747 4.740 -0.001 0.000 0.188 155 N C 0.852 176.365 175.510 0.005 0.000 1.134 155 N CA 1.039 54.098 53.050 0.015 0.000 0.878 155 N CB 0.396 38.892 38.487 0.015 0.000 0.972 155 N HN 0.346 nan 8.380 nan 0.000 0.456 156 G N -0.265 108.533 108.800 -0.002 0.000 2.176 156 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.253 156 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.253 156 G C 0.835 175.721 174.900 -0.022 0.000 0.979 156 G CA 0.517 45.606 45.100 -0.018 0.000 0.641 156 G HN 0.469 nan 8.290 nan 0.000 0.530 157 Q N -1.272 118.521 119.800 -0.011 0.000 2.096 157 Q HA 0.240 4.579 4.340 -0.001 0.000 0.197 157 Q C 1.109 177.098 176.000 -0.018 0.000 0.964 157 Q CA 0.960 56.760 55.803 -0.004 0.000 0.838 157 Q CB 0.183 28.923 28.738 0.003 0.000 0.906 157 Q HN 0.530 nan 8.270 nan 0.000 0.444 158 L N 1.317 122.509 121.223 -0.050 0.000 2.272 158 L HA 0.285 4.624 4.340 -0.001 0.000 0.289 158 L C -0.913 175.783 176.870 -0.291 0.000 1.032 158 L CA -0.023 54.737 54.840 -0.133 0.000 0.810 158 L CB 1.390 43.374 42.059 -0.124 0.000 1.205 158 L HN -0.048 nan 8.230 nan 0.000 0.422 159 E N 4.133 124.118 120.200 -0.359 0.000 2.234 159 E HA 0.372 4.722 4.350 -0.001 0.000 0.266 159 E C -1.516 174.810 176.600 -0.457 0.000 0.877 159 E CA -0.710 55.484 56.400 -0.344 0.000 0.758 159 E CB 1.037 30.615 29.700 -0.203 0.000 1.170 159 E HN 0.472 nan 8.360 nan 0.000 0.415 160 F N 3.110 123.009 119.950 -0.085 0.000 2.396 160 F HA 0.242 4.768 4.527 -0.001 0.000 0.343 160 F C 0.253 176.015 175.800 -0.063 0.000 1.104 160 F CA -0.543 57.416 58.000 -0.067 0.000 1.161 160 F CB 1.296 40.270 39.000 -0.044 0.000 1.146 160 F HN 0.187 nan 8.300 nan 0.000 0.522 161 V N 0.009 119.974 119.914 0.084 0.000 2.459 161 V HA 0.635 4.754 4.120 -0.001 0.000 0.295 161 V C 0.293 176.507 176.094 0.200 0.000 1.029 161 V CA -0.547 61.800 62.300 0.078 0.000 0.874 161 V CB 0.887 32.637 31.823 -0.123 0.000 0.985 161 V HN 0.980 nan 8.190 nan 0.000 0.438 162 T N 3.195 117.945 114.554 0.326 0.000 12.940 162 T HA -0.316 4.033 4.350 -0.001 0.000 0.419 162 T C 1.711 176.635 174.700 0.374 0.000 1.444 162 T CA 3.020 65.359 62.100 0.399 0.000 2.373 162 T CB -1.665 67.338 68.868 0.225 0.000 2.821 162 T HN 2.785 nan 8.240 nan 0.000 0.696 163 G N 1.797 110.753 108.800 0.260 0.000 2.136 163 G HA2 0.088 4.047 3.960 -0.001 0.000 0.242 163 G HA3 0.088 4.047 3.960 -0.001 0.000 0.242 163 G C 0.299 175.334 174.900 0.225 0.000 0.989 163 G CA 0.587 45.815 45.100 0.214 0.000 0.682 163 G HN 1.548 nan 8.290 nan 0.000 0.522 164 G N -1.619 107.314 108.800 0.222 0.000 2.572 164 G HA2 0.364 4.323 3.960 -0.001 0.000 0.261 164 G HA3 0.364 4.323 3.960 -0.001 0.000 0.261 164 G C 0.973 176.047 174.900 0.290 0.000 1.197 164 G CA 0.182 45.427 45.100 0.241 0.000 0.870 164 G HN 0.352 nan 8.290 nan 0.000 0.548 165 W N 0.579 121.927 121.300 0.080 0.000 2.331 165 W HA -0.057 4.602 4.660 -0.001 0.000 0.291 165 W C 0.625 177.180 176.519 0.061 0.000 1.214 165 W CA 1.972 59.352 57.345 0.058 0.000 1.228 165 W CB 0.227 29.705 29.460 0.030 0.000 1.135 165 W HN 0.407 nan 8.180 nan 0.000 0.537 166 V N -2.728 117.309 119.914 0.205 0.000 3.103 166 V HA 0.508 4.627 4.120 -0.001 0.000 0.311 166 V C -0.500 175.687 176.094 0.154 0.000 1.322 166 V CA -1.291 61.081 62.300 0.121 0.000 1.063 166 V CB 1.754 33.675 31.823 0.164 0.000 1.090 166 V HN -0.059 nan 8.190 nan 0.000 0.462 167 M N 3.996 123.718 119.600 0.205 0.000 2.103 167 M HA 0.532 5.011 4.480 -0.001 0.000 0.350 167 M C -2.716 173.738 176.300 0.257 0.000 1.100 167 M CA -1.897 53.527 55.300 0.207 0.000 1.042 167 M CB 1.574 34.316 32.600 0.235 0.000 1.368 167 M HN 0.667 nan 8.290 nan 0.000 0.404 168 P HA 0.083 nan 4.420 nan 0.000 0.272 168 P C -0.909 176.403 177.300 0.020 0.000 1.223 168 P CA -0.071 63.082 63.100 0.088 0.000 0.784 168 P CB 0.542 32.282 31.700 0.066 0.000 0.923 169 D N 0.796 121.174 120.400 -0.037 0.000 2.449 169 D HA -0.063 4.576 4.640 -0.001 0.000 0.236 169 D C 0.681 176.997 176.300 0.028 0.000 1.149 169 D CA 0.582 54.541 54.000 -0.068 0.000 0.878 169 D CB 0.430 41.202 40.800 -0.047 0.000 1.198 169 D HN 0.322 nan 8.370 nan 0.000 0.446 170 E N 1.318 121.581 120.200 0.104 0.000 2.511 170 E HA 0.190 4.540 4.350 -0.001 0.000 0.209 170 E C 0.946 177.730 176.600 0.308 0.000 0.986 170 E CA 0.038 56.563 56.400 0.207 0.000 0.974 170 E CB 0.669 30.504 29.700 0.226 0.000 1.030 170 E HN 0.482 nan 8.360 nan 0.000 0.490 171 A N 1.567 124.522 122.820 0.225 0.000 1.871 171 A HA -0.001 4.319 4.320 -0.001 0.000 0.211 171 A C 1.811 179.285 177.584 -0.184 0.000 1.207 171 A CA 0.669 52.598 52.037 -0.179 0.000 0.620 171 A CB -0.011 18.860 19.000 -0.216 0.000 0.860 171 A HN 0.044 nan 8.150 nan 0.000 0.450 172 N N 0.662 119.346 118.700 -0.026 0.000 2.392 172 N HA 0.008 4.747 4.740 -0.001 0.000 0.177 172 N C 0.414 175.918 175.510 -0.010 0.000 1.066 172 N CA 0.738 53.769 53.050 -0.032 0.000 0.895 172 N CB 0.072 38.584 38.487 0.041 0.000 0.988 172 N HN 0.500 nan 8.380 nan 0.000 0.457 173 S N 0.743 116.447 115.700 0.007 0.000 2.564 173 S HA 0.046 4.515 4.470 -0.001 0.000 0.278 173 S C 0.009 174.626 174.600 0.028 0.000 1.333 173 S CA -0.598 57.617 58.200 0.025 0.000 1.048 173 S CB 1.171 64.390 63.200 0.030 0.000 0.900 173 S HN 0.196 nan 8.310 nan 0.000 0.505 174 H N 3.582 122.635 119.070 -0.029 0.000 2.683 174 H HA 0.030 4.585 4.556 -0.001 0.000 0.339 174 H C 1.300 176.607 175.328 -0.035 0.000 1.081 174 H CA -0.159 55.856 56.048 -0.054 0.000 1.432 174 H CB 0.494 30.172 29.762 -0.140 0.000 1.462 174 H HN 1.033 nan 8.280 nan 0.000 0.557 175 W N 5.874 127.102 121.300 -0.120 0.000 2.325 175 W HA -0.207 4.452 4.660 -0.001 0.000 0.299 175 W C 1.080 177.671 176.519 0.119 0.000 1.215 175 W CA 0.522 57.862 57.345 -0.009 0.000 1.244 175 W CB -0.481 28.917 29.460 -0.104 0.000 1.140 175 W HN 0.535 nan 8.180 nan 0.000 0.523 176 R N 0.755 120.874 120.500 -0.633 0.000 2.096 176 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 176 R C 2.000 178.138 176.300 -0.270 0.000 1.127 176 R CA 1.899 57.516 56.100 -0.804 0.000 0.968 176 R CB -0.406 29.364 30.300 -0.883 0.000 0.861 176 R HN 0.164 nan 8.270 nan 0.000 0.440 177 N N -0.255 118.372 118.700 -0.123 0.000 2.376 177 N HA -0.050 4.689 4.740 -0.001 0.000 0.177 177 N C 1.678 177.195 175.510 0.011 0.000 1.024 177 N CA 0.630 53.649 53.050 -0.052 0.000 0.893 177 N CB 0.061 38.536 38.487 -0.020 0.000 0.980 177 N HN -0.002 nan 8.380 nan 0.000 0.439 178 V N 1.371 121.317 119.914 0.053 0.000 2.343 178 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 178 V C 2.292 178.436 176.094 0.083 0.000 1.051 178 V CA 1.041 63.391 62.300 0.083 0.000 1.036 178 V CB -0.421 31.473 31.823 0.117 0.000 0.654 178 V HN 0.194 nan 8.190 nan 0.000 0.451 179 L N -0.344 120.939 121.223 0.100 0.000 2.056 179 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 179 L C 2.154 179.037 176.870 0.022 0.000 1.078 179 L CA 1.746 56.637 54.840 0.085 0.000 0.749 179 L CB -0.654 41.494 42.059 0.148 0.000 0.901 179 L HN 0.269 nan 8.230 nan 0.000 0.433 180 L N 0.053 121.268 121.223 -0.015 0.000 2.012 180 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 180 L C 2.588 179.448 176.870 -0.016 0.000 1.073 180 L CA 2.404 57.221 54.840 -0.037 0.000 0.748 180 L CB -0.839 41.179 42.059 -0.067 0.000 0.891 180 L HN 0.690 nan 8.230 nan 0.000 0.431 181 Q N -0.985 118.828 119.800 0.021 0.000 2.172 181 Q HA -0.190 4.150 4.340 -0.001 0.000 0.200 181 Q C 2.025 178.110 176.000 0.141 0.000 0.964 181 Q CA 2.047 57.898 55.803 0.080 0.000 0.855 181 Q CB -1.205 27.614 28.738 0.135 0.000 0.918 181 Q HN 0.468 nan 8.270 nan 0.000 0.444 182 L N 0.791 122.081 121.223 0.113 0.000 2.046 182 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 182 L C 1.910 178.860 176.870 0.133 0.000 1.077 182 L CA 2.445 57.364 54.840 0.132 0.000 0.747 182 L CB -0.986 41.129 42.059 0.093 0.000 0.896 182 L HN 0.334 nan 8.230 nan 0.000 0.432 183 T N -1.049 113.550 114.554 0.076 0.000 2.821 183 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 183 T C 1.719 176.470 174.700 0.085 0.000 1.046 183 T CA 1.320 63.457 62.100 0.061 0.000 1.139 183 T CB -0.137 68.735 68.868 0.007 0.000 0.871 183 T HN 0.306 nan 8.240 nan 0.000 0.454 184 E N 1.085 121.311 120.200 0.044 0.000 2.051 184 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 184 E C 2.332 179.061 176.600 0.216 0.000 0.991 184 E CA 1.529 57.916 56.400 -0.020 0.000 0.799 184 E CB -0.838 28.664 29.700 -0.329 0.000 0.748 184 E HN 0.455 nan 8.360 nan 0.000 0.449 185 G N -0.234 108.790 108.800 0.372 0.000 2.403 185 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 185 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 185 G C 1.468 176.587 174.900 0.365 0.000 1.154 185 G CA 0.501 45.909 45.100 0.513 0.000 0.784 185 G HN 0.237 nan 8.290 nan 0.000 0.538 186 Q N -0.031 119.919 119.800 0.250 0.000 2.123 186 Q HA -0.065 4.274 4.340 -0.001 0.000 0.199 186 Q C 2.778 178.868 176.000 0.151 0.000 0.966 186 Q CA 1.488 57.396 55.803 0.174 0.000 0.845 186 Q CB -0.253 28.570 28.738 0.142 0.000 0.907 186 Q HN 0.403 nan 8.270 nan 0.000 0.439 187 T N 0.191 114.844 114.554 0.166 0.000 2.788 187 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 187 T C 1.094 175.880 174.700 0.143 0.000 1.044 187 T CA 1.078 63.249 62.100 0.119 0.000 1.139 187 T CB -0.349 68.588 68.868 0.115 0.000 0.867 187 T HN 0.467 nan 8.240 nan 0.000 0.454 188 W N 1.567 122.962 121.300 0.158 0.000 2.355 188 W HA 0.004 4.664 4.660 -0.001 0.000 0.309 188 W C 1.758 178.386 176.519 0.181 0.000 1.206 188 W CA 0.795 58.314 57.345 0.290 0.000 1.284 188 W CB -0.433 29.276 29.460 0.414 0.000 1.145 188 W HN 0.138 nan 8.180 nan 0.000 0.502 189 L N 0.663 122.061 121.223 0.293 0.000 2.046 189 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 189 L C 2.615 179.398 176.870 -0.146 0.000 1.077 189 L CA 1.929 56.777 54.840 0.014 0.000 0.747 189 L CB -0.968 41.051 42.059 -0.066 0.000 0.896 189 L HN -0.027 nan 8.230 nan 0.000 0.432 190 K N -0.065 120.272 120.400 -0.105 0.000 2.057 190 K HA -0.255 4.065 4.320 -0.001 0.000 0.207 190 K C 2.201 178.651 176.600 -0.251 0.000 1.049 190 K CA 1.534 57.740 56.287 -0.136 0.000 0.931 190 K CB -0.029 32.421 32.500 -0.084 0.000 0.714 190 K HN 0.250 nan 8.250 nan 0.000 0.440 191 Q N -0.805 118.766 119.800 -0.381 0.000 2.046 191 Q HA -0.144 4.195 4.340 -0.001 0.000 0.200 191 Q C 1.547 177.030 176.000 -0.861 0.000 0.975 191 Q CA 1.780 57.187 55.803 -0.659 0.000 0.836 191 Q CB 0.041 28.244 28.738 -0.892 0.000 0.896 191 Q HN 0.311 nan 8.270 nan 0.000 0.428 192 F N -1.490 118.101 119.950 -0.597 0.000 2.582 192 F HA 0.088 4.614 4.527 -0.001 0.000 0.290 192 F C 1.603 177.115 175.800 -0.480 0.000 1.115 192 F CA 0.321 57.917 58.000 -0.673 0.000 1.445 192 F CB 0.392 38.574 39.000 -1.362 0.000 1.126 192 F HN 0.108 nan 8.300 nan 0.000 0.574 193 M N -1.067 118.380 119.600 -0.256 0.000 2.292 193 M HA 0.230 4.709 4.480 -0.001 0.000 0.286 193 M C 0.307 176.584 176.300 -0.038 0.000 1.002 193 M CA 0.101 55.356 55.300 -0.076 0.000 1.029 193 M CB -1.110 31.476 32.600 -0.024 0.000 1.537 193 M HN 0.079 nan 8.290 nan 0.000 0.543 194 N N 1.998 120.638 118.700 -0.099 0.000 2.727 194 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 194 N C -0.953 174.536 175.510 -0.034 0.000 1.048 194 N CA 0.746 53.753 53.050 -0.070 0.000 0.714 194 N CB -0.901 37.558 38.487 -0.047 0.000 0.959 194 N HN 0.381 nan 8.380 nan 0.000 0.544 195 V N -3.935 115.960 119.914 -0.031 0.000 3.049 195 V HA 0.880 4.999 4.120 -0.001 0.000 0.309 195 V C 0.031 176.109 176.094 -0.027 0.000 1.148 195 V CA -0.489 61.808 62.300 -0.005 0.000 0.990 195 V CB 2.374 34.242 31.823 0.076 0.000 1.039 195 V HN 0.052 nan 8.190 nan 0.000 0.430 196 T N 3.720 118.247 114.554 -0.043 0.000 2.930 196 T HA 0.565 4.914 4.350 -0.001 0.000 0.313 196 T C -2.765 171.850 174.700 -0.142 0.000 1.019 196 T CA -0.754 61.300 62.100 -0.076 0.000 1.004 196 T CB 1.347 70.159 68.868 -0.094 0.000 0.987 196 T HN 0.770 nan 8.240 nan 0.000 0.456 197 P HA 0.155 nan 4.420 nan 0.000 0.266 197 P C 0.856 177.759 177.300 -0.661 0.000 1.195 197 P CA -0.100 62.873 63.100 -0.210 0.000 0.768 197 P CB 0.532 32.228 31.700 -0.007 0.000 0.838 198 T N -1.583 112.641 114.554 -0.551 0.000 3.040 198 T HA 0.529 4.878 4.350 -0.001 0.000 0.266 198 T C 0.355 174.870 174.700 -0.308 0.000 1.005 198 T CA -0.256 61.401 62.100 -0.739 0.000 0.906 198 T CB 0.160 68.806 68.868 -0.371 0.000 1.082 198 T HN 0.408 nan 8.240 nan 0.000 0.531 199 A N 0.855 123.655 122.820 -0.034 0.000 2.343 199 A HA 0.799 5.118 4.320 -0.001 0.000 0.316 199 A C -0.173 177.675 177.584 0.440 0.000 1.104 199 A CA -0.690 51.474 52.037 0.213 0.000 0.768 199 A CB 1.795 20.929 19.000 0.223 0.000 1.213 199 A HN 0.257 nan 8.150 nan 0.000 0.456 200 S N 2.111 118.052 115.700 0.402 0.000 2.549 200 S HA 0.668 5.137 4.470 -0.001 0.000 0.297 200 S C -1.144 173.642 174.600 0.311 0.000 1.115 200 S CA -0.427 57.950 58.200 0.295 0.000 1.059 200 S CB 0.739 63.935 63.200 -0.007 0.000 1.046 200 S HN 0.793 nan 8.310 nan 0.000 0.506 201 W N 4.730 126.041 121.300 0.019 0.000 2.463 201 W HA 0.637 5.296 4.660 -0.001 0.000 0.316 201 W C -1.458 175.005 176.519 -0.093 0.000 1.004 201 W CA -0.843 56.465 57.345 -0.061 0.000 1.309 201 W CB 1.068 30.465 29.460 -0.105 0.000 1.288 201 W HN 0.772 nan 8.180 nan 0.000 0.423 202 A N 8.008 130.680 122.820 -0.245 0.000 2.709 202 A HA 0.297 4.616 4.320 -0.001 0.000 0.332 202 A C 0.313 177.643 177.584 -0.423 0.000 1.241 202 A CA -0.486 51.411 52.037 -0.233 0.000 0.782 202 A CB -0.308 18.672 19.000 -0.034 0.000 1.109 202 A HN 0.689 nan 8.150 nan 0.000 0.472 203 I N -2.567 117.568 120.570 -0.725 0.000 3.603 203 I HA 0.257 4.426 4.170 -0.001 0.000 0.297 203 I C 0.825 176.626 176.117 -0.527 0.000 1.269 203 I CA 0.753 61.589 61.300 -0.773 0.000 1.361 203 I CB 0.369 37.612 38.000 -1.262 0.000 1.063 203 I HN 0.338 nan 8.210 nan 0.000 0.448 204 D N 0.529 120.575 120.400 -0.590 0.000 2.479 204 D HA 0.239 4.878 4.640 -0.001 0.000 0.221 204 D C -2.123 173.752 176.300 -0.707 0.000 1.104 204 D CA -0.773 52.896 54.000 -0.552 0.000 0.849 204 D CB -0.002 40.414 40.800 -0.640 0.000 1.072 204 D HN 0.175 nan 8.370 nan 0.000 0.502 205 P HA 0.007 nan 4.420 nan 0.000 0.266 205 P C -0.505 176.325 177.300 -0.784 0.000 1.193 205 P CA 0.136 62.704 63.100 -0.887 0.000 0.770 205 P CB 0.168 31.521 31.700 -0.578 0.000 0.836 206 F N 2.134 121.851 119.950 -0.388 0.000 2.573 206 F HA 0.553 5.079 4.527 -0.001 0.000 0.349 206 F C 1.411 177.140 175.800 -0.117 0.000 1.213 206 F CA -0.615 57.113 58.000 -0.453 0.000 1.300 206 F CB -1.097 37.808 39.000 -0.158 0.000 1.661 206 F HN 0.493 nan 8.300 nan 0.000 0.616 207 G N 1.107 109.654 108.800 -0.422 0.000 2.587 207 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.686 207 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.686 207 G C -1.575 172.953 174.900 -0.620 0.000 1.236 207 G CA -1.195 43.768 45.100 -0.228 0.000 0.820 207 G HN 0.574 nan 8.290 nan 0.000 0.645 208 H N -0.564 118.188 119.070 -0.530 0.000 2.717 208 H HA 0.754 5.310 4.556 -0.001 0.000 0.366 208 H C -0.419 174.768 175.328 -0.234 0.000 1.132 208 H CA -0.010 55.913 56.048 -0.208 0.000 1.180 208 H CB 2.076 31.886 29.762 0.080 0.000 1.678 208 H HN 0.656 nan 8.280 nan 0.000 0.537 209 S N 2.178 118.003 115.700 0.208 0.000 2.501 209 S HA 0.262 4.732 4.470 -0.001 0.000 0.301 209 S C -1.808 172.799 174.600 0.012 0.000 1.096 209 S CA -1.789 56.547 58.200 0.226 0.000 1.063 209 S CB 1.240 64.613 63.200 0.287 0.000 1.042 209 S HN 0.446 nan 8.310 nan 0.000 0.494 210 P HA 0.043 nan 4.420 nan 0.000 0.242 210 P C 0.997 178.038 177.300 -0.432 0.000 1.197 210 P CA 0.631 63.315 63.100 -0.694 0.000 0.765 210 P CB -0.237 31.207 31.700 -0.427 0.000 0.936 211 T N -0.330 114.108 114.554 -0.192 0.000 2.962 211 T HA -0.053 4.296 4.350 -0.001 0.000 0.270 211 T C 1.776 176.431 174.700 -0.076 0.000 1.088 211 T CA 1.068 63.103 62.100 -0.109 0.000 1.127 211 T CB -0.352 68.494 68.868 -0.037 0.000 0.883 211 T HN -0.007 nan 8.240 nan 0.000 0.493 212 M N 1.027 120.537 119.600 -0.150 0.000 2.077 212 M HA 0.025 4.504 4.480 -0.001 0.000 0.261 212 M C -0.651 175.511 176.300 -0.230 0.000 1.070 212 M CA 1.137 56.349 55.300 -0.148 0.000 1.125 212 M CB -2.453 30.085 32.600 -0.103 0.000 1.339 212 M HN 0.112 nan 8.290 nan 0.000 0.409 213 P HA -0.192 nan 4.420 nan 0.000 0.220 213 P C 1.644 178.818 177.300 -0.209 0.000 1.148 213 P CA 1.387 64.299 63.100 -0.313 0.000 0.803 213 P CB -0.405 31.028 31.700 -0.444 0.000 0.782 214 Y N 1.255 121.373 120.300 -0.304 0.000 2.070 214 Y HA -0.194 4.355 4.550 -0.001 0.000 0.280 214 Y C 2.409 178.223 175.900 -0.145 0.000 1.148 214 Y CA 1.685 59.665 58.100 -0.200 0.000 1.125 214 Y CB -0.999 37.357 38.460 -0.174 0.000 0.975 214 Y HN -0.250 nan 8.280 nan 0.000 0.492 215 I N -0.299 120.270 120.570 -0.002 0.000 2.252 215 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 215 I C 2.279 178.315 176.117 -0.136 0.000 1.102 215 I CA 1.243 62.510 61.300 -0.054 0.000 1.385 215 I CB -0.447 37.588 38.000 0.058 0.000 1.064 215 I HN 0.280 nan 8.210 nan 0.000 0.414 216 L N 0.076 121.171 121.223 -0.215 0.000 2.056 216 L HA -0.211 4.128 4.340 -0.001 0.000 0.207 216 L C 2.698 179.550 176.870 -0.030 0.000 1.078 216 L CA 1.174 55.827 54.840 -0.312 0.000 0.749 216 L CB -0.719 40.967 42.059 -0.622 0.000 0.901 216 L HN 0.331 nan 8.230 nan 0.000 0.433 217 Q N 1.147 120.894 119.800 -0.088 0.000 2.226 217 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 217 Q C 1.651 177.609 176.000 -0.071 0.000 0.975 217 Q CA 1.480 57.253 55.803 -0.050 0.000 0.866 217 Q CB 0.129 28.808 28.738 -0.098 0.000 0.915 217 Q HN 0.466 nan 8.270 nan 0.000 0.440 218 K N -0.570 119.747 120.400 -0.139 0.000 2.444 218 K HA 0.120 4.439 4.320 -0.001 0.000 0.193 218 K C 0.736 177.297 176.600 -0.064 0.000 1.024 218 K CA 0.144 56.344 56.287 -0.145 0.000 1.077 218 K CB 0.548 32.886 32.500 -0.270 0.000 0.833 218 K HN -0.071 nan 8.250 nan 0.000 0.517 219 S N -0.238 115.480 115.700 0.030 0.000 2.664 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.245 219 S C 0.783 175.478 174.600 0.158 0.000 1.019 219 S CA 0.118 58.383 58.200 0.108 0.000 0.996 219 S CB 1.285 64.592 63.200 0.177 0.000 0.878 219 S HN 0.519 nan 8.310 nan 0.000 0.493 220 G N 1.185 110.033 108.800 0.080 0.000 2.175 220 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.244 220 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.244 220 G C -0.037 174.829 174.900 -0.057 0.000 0.982 220 G CA -0.453 44.635 45.100 -0.020 0.000 0.641 220 G HN 0.432 nan 8.290 nan 0.000 0.527 221 F N 0.506 120.412 119.950 -0.073 0.000 2.410 221 F HA 0.574 5.100 4.527 -0.001 0.000 0.334 221 F C 1.654 177.392 175.800 -0.104 0.000 1.134 221 F CA 0.300 58.252 58.000 -0.080 0.000 1.227 221 F CB 1.128 40.085 39.000 -0.072 0.000 1.194 221 F HN -0.073 nan 8.300 nan 0.000 0.571 222 K N 0.577 120.994 120.400 0.028 0.000 2.464 222 K HA 0.233 4.552 4.320 -0.001 0.000 0.206 222 K C -0.634 175.900 176.600 -0.109 0.000 1.186 222 K CA -0.016 56.228 56.287 -0.073 0.000 0.990 222 K CB 0.475 32.883 32.500 -0.153 0.000 1.003 222 K HN 0.594 nan 8.250 nan 0.000 0.562 223 N N 0.640 119.262 118.700 -0.131 0.000 2.484 223 N HA 0.384 5.124 4.740 -0.001 0.000 0.269 223 N C -1.443 173.912 175.510 -0.259 0.000 1.237 223 N CA -0.744 52.069 53.050 -0.395 0.000 0.838 223 N CB 1.982 39.694 38.487 -1.292 0.000 1.593 223 N HN -0.050 nan 8.380 nan 0.000 0.485 224 M N -0.084 119.379 119.600 -0.227 0.000 2.575 224 M HA 0.649 5.128 4.480 -0.001 0.000 0.284 224 M C -2.017 174.343 176.300 0.101 0.000 1.253 224 M CA -0.951 54.337 55.300 -0.019 0.000 0.861 224 M CB 2.545 35.127 32.600 -0.030 0.000 1.733 224 M HN 0.507 nan 8.290 nan 0.000 0.462 225 L N 3.458 124.757 121.223 0.127 0.000 2.408 225 L HA 0.860 5.199 4.340 -0.001 0.000 0.268 225 L C -1.503 175.248 176.870 -0.199 0.000 0.986 225 L CA -0.761 54.115 54.840 0.059 0.000 0.820 225 L CB 2.045 44.187 42.059 0.138 0.000 1.303 225 L HN 0.957 nan 8.230 nan 0.000 0.411 226 I N 0.960 121.322 120.570 -0.347 0.000 3.042 226 I HA 0.615 4.784 4.170 -0.001 0.000 0.310 226 I C -0.679 175.135 176.117 -0.506 0.000 1.117 226 I CA -0.563 60.344 61.300 -0.655 0.000 1.003 226 I CB 2.243 39.549 38.000 -1.157 0.000 1.228 226 I HN 0.741 nan 8.210 nan 0.000 0.443 227 Q N 1.954 121.514 119.800 -0.399 0.000 2.546 227 Q HA 0.334 4.673 4.340 -0.001 0.000 0.226 227 Q C -0.013 175.889 176.000 -0.163 0.000 0.769 227 Q CA 0.353 56.010 55.803 -0.244 0.000 0.954 227 Q CB 0.627 29.220 28.738 -0.242 0.000 1.319 227 Q HN 0.656 nan 8.270 nan 0.000 0.534 228 R N 2.021 122.453 120.500 -0.113 0.000 2.608 228 R HA 0.349 4.689 4.340 -0.001 0.000 0.277 228 R C -0.712 175.353 176.300 -0.392 0.000 1.341 228 R CA 0.568 56.356 56.100 -0.521 0.000 1.199 228 R CB 0.347 29.974 30.300 -1.123 0.000 1.156 228 R HN 0.391 nan 8.270 nan 0.000 0.558 229 T N -2.320 112.233 114.554 -0.002 0.000 2.916 229 T HA 0.133 4.482 4.350 -0.001 0.000 0.292 229 T C -0.018 174.948 174.700 0.444 0.000 1.055 229 T CA -0.888 61.329 62.100 0.196 0.000 1.009 229 T CB 1.721 70.528 68.868 -0.103 0.000 1.118 229 T HN 0.436 nan 8.240 nan 0.000 0.497 230 H N 2.042 121.336 119.070 0.372 0.000 3.140 230 H HA -0.061 4.494 4.556 -0.001 0.000 0.316 230 H C 1.074 176.467 175.328 0.109 0.000 0.986 230 H CA 0.682 56.840 56.048 0.183 0.000 1.397 230 H CB 0.311 30.214 29.762 0.235 0.000 1.377 230 H HN 0.929 nan 8.280 nan 0.000 0.585 231 Y N 2.415 122.811 120.300 0.160 0.000 2.256 231 Y HA -0.180 4.370 4.550 -0.001 0.000 0.288 231 Y C 2.205 178.287 175.900 0.304 0.000 1.155 231 Y CA 0.995 59.228 58.100 0.223 0.000 1.203 231 Y CB -0.653 37.877 38.460 0.116 0.000 0.980 231 Y HN 0.302 nan 8.280 nan 0.000 0.530 232 S N 0.334 116.086 115.700 0.086 0.000 2.402 232 S HA -0.117 4.352 4.470 -0.001 0.000 0.229 232 S C 2.061 176.605 174.600 -0.093 0.000 1.021 232 S CA 1.184 59.333 58.200 -0.085 0.000 0.974 232 S CB -0.528 62.405 63.200 -0.444 0.000 0.800 232 S HN 0.380 nan 8.310 nan 0.000 0.484 233 V N 1.814 121.744 119.914 0.026 0.000 2.358 233 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 233 V C 2.216 178.359 176.094 0.083 0.000 1.047 233 V CA 1.546 63.882 62.300 0.060 0.000 1.035 233 V CB -0.496 31.464 31.823 0.228 0.000 0.658 233 V HN 0.396 nan 8.190 nan 0.000 0.452 234 K N 0.167 120.656 120.400 0.148 0.000 2.063 234 K HA -0.238 4.081 4.320 -0.001 0.000 0.208 234 K C 2.274 179.017 176.600 0.238 0.000 1.048 234 K CA 1.744 58.132 56.287 0.169 0.000 0.928 234 K CB -0.219 32.433 32.500 0.253 0.000 0.713 234 K HN 0.352 nan 8.250 nan 0.000 0.442 235 K N 1.059 121.600 120.400 0.235 0.000 2.025 235 K HA -0.222 4.097 4.320 -0.001 0.000 0.207 235 K C 2.111 178.822 176.600 0.185 0.000 1.049 235 K CA 1.672 58.107 56.287 0.248 0.000 0.933 235 K CB 0.065 32.637 32.500 0.120 0.000 0.714 235 K HN -0.029 nan 8.250 nan 0.000 0.438 236 E N 0.906 121.133 120.200 0.043 0.000 2.031 236 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 236 E C 1.942 178.544 176.600 0.003 0.000 0.994 236 E CA 1.417 57.799 56.400 -0.031 0.000 0.800 236 E CB -0.191 29.439 29.700 -0.117 0.000 0.752 236 E HN 0.331 nan 8.360 nan 0.000 0.447 237 L N -0.155 121.078 121.223 0.016 0.000 2.093 237 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 237 L C 2.520 179.413 176.870 0.038 0.000 1.085 237 L CA 0.939 55.780 54.840 0.002 0.000 0.755 237 L CB -0.627 41.414 42.059 -0.030 0.000 0.904 237 L HN 0.209 nan 8.230 nan 0.000 0.435 238 A N -0.204 122.693 122.820 0.127 0.000 1.902 238 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 238 A C 2.223 179.994 177.584 0.311 0.000 1.181 238 A CA 1.577 53.740 52.037 0.210 0.000 0.623 238 A CB -0.502 18.780 19.000 0.470 0.000 0.818 238 A HN 0.459 nan 8.150 nan 0.000 0.443 239 Q N -0.995 118.963 119.800 0.263 0.000 2.181 239 Q HA -0.171 4.169 4.340 -0.001 0.000 0.205 239 Q C 1.375 177.376 176.000 0.001 0.000 0.980 239 Q CA 1.371 57.180 55.803 0.010 0.000 0.862 239 Q CB -0.048 28.561 28.738 -0.215 0.000 0.905 239 Q HN 0.617 nan 8.270 nan 0.000 0.429 240 Q N -0.215 119.593 119.800 0.014 0.000 2.247 240 Q HA 0.137 4.476 4.340 -0.001 0.000 0.204 240 Q C -0.468 175.549 176.000 0.028 0.000 0.872 240 Q CA -0.028 55.777 55.803 0.003 0.000 0.951 240 Q CB 0.679 29.408 28.738 -0.015 0.000 1.099 240 Q HN 0.282 nan 8.270 nan 0.000 0.501 241 R N 0.908 121.431 120.500 0.038 0.000 3.251 241 R HA -0.210 4.129 4.340 -0.001 0.000 0.249 241 R C -0.153 176.177 176.300 0.050 0.000 0.949 241 R CA 0.455 56.567 56.100 0.020 0.000 0.645 241 R CB -1.923 28.413 30.300 0.060 0.000 1.065 241 R HN 0.386 nan 8.270 nan 0.000 0.452 242 Q N 0.092 119.910 119.800 0.030 0.000 2.165 242 Q HA 0.204 4.543 4.340 -0.001 0.000 0.245 242 Q C 1.192 177.273 176.000 0.135 0.000 0.841 242 Q CA -0.242 55.614 55.803 0.089 0.000 1.078 242 Q CB 0.580 29.333 28.738 0.025 0.000 1.169 242 Q HN 0.450 nan 8.270 nan 0.000 0.475 243 L N 0.020 121.255 121.223 0.020 0.000 2.418 243 L HA 0.066 4.405 4.340 -0.001 0.000 0.218 243 L C 0.347 177.210 176.870 -0.011 0.000 1.125 243 L CA 0.933 55.753 54.840 -0.034 0.000 0.835 243 L CB 0.359 42.188 42.059 -0.382 0.000 0.953 243 L HN 0.196 nan 8.230 nan 0.000 0.454 244 E N 0.163 120.401 120.200 0.064 0.000 2.158 244 E HA 0.505 4.854 4.350 -0.001 0.000 0.271 244 E C -1.236 175.291 176.600 -0.122 0.000 0.911 244 E CA -0.509 55.735 56.400 -0.260 0.000 0.767 244 E CB 1.470 31.156 29.700 -0.022 0.000 1.120 244 E HN -0.002 nan 8.360 nan 0.000 0.405 245 F N -0.119 119.583 119.950 -0.414 0.000 2.686 245 F HA 0.485 5.011 4.527 -0.002 0.000 0.311 245 F C -1.493 174.203 175.800 -0.173 0.000 1.128 245 F CA -1.391 56.508 58.000 -0.168 0.000 0.946 245 F CB 0.809 39.741 39.000 -0.114 0.000 1.336 245 F HN 0.149 nan 8.300 nan 0.000 0.457 246 L N 2.544 123.925 121.223 0.262 0.000 2.270 246 L HA 0.191 4.530 4.340 -0.001 0.000 0.286 246 L C -1.134 175.961 176.870 0.375 0.000 1.059 246 L CA -0.268 54.717 54.840 0.241 0.000 0.839 246 L CB 0.536 42.742 42.059 0.245 0.000 1.221 246 L HN 0.585 nan 8.230 nan 0.000 0.431 247 W N 6.733 128.136 121.300 0.172 0.000 2.387 247 W HA 0.345 5.004 4.660 -0.001 0.000 0.310 247 W C 0.206 176.753 176.519 0.046 0.000 1.181 247 W CA -1.258 56.209 57.345 0.204 0.000 1.333 247 W CB 0.477 30.101 29.460 0.275 0.000 1.286 247 W HN 0.495 nan 8.180 nan 0.000 0.455 248 R N 3.927 124.596 120.500 0.281 0.000 2.828 248 R HA 0.544 4.883 4.340 -0.001 0.000 0.264 248 R C -0.119 176.086 176.300 -0.158 0.000 1.022 248 R CA -0.944 55.153 56.100 -0.006 0.000 1.021 248 R CB 1.187 31.467 30.300 -0.033 0.000 1.163 248 R HN 0.249 nan 8.270 nan 0.000 0.494 249 Q N 1.417 120.971 119.800 -0.410 0.000 2.421 249 Q HA 0.056 4.395 4.340 -0.001 0.000 0.255 249 Q C 1.454 177.060 176.000 -0.656 0.000 1.013 249 Q CA 0.112 55.479 55.803 -0.727 0.000 0.895 249 Q CB 0.793 28.675 28.738 -1.427 0.000 1.271 249 Q HN 0.859 nan 8.270 nan 0.000 0.460 250 I N -2.130 118.151 120.570 -0.482 0.000 2.567 250 I HA -0.138 4.031 4.170 -0.001 0.000 0.257 250 I C 1.237 177.289 176.117 -0.108 0.000 1.184 250 I CA 1.233 62.415 61.300 -0.197 0.000 1.451 250 I CB -0.332 37.655 38.000 -0.022 0.000 1.089 250 I HN 0.669 nan 8.210 nan 0.000 0.441 251 W N 1.319 122.677 121.300 0.097 0.000 3.220 251 W HA 0.389 5.049 4.660 -0.001 0.000 0.328 251 W C 0.125 176.716 176.519 0.120 0.000 1.205 251 W CA -0.800 56.658 57.345 0.187 0.000 1.773 251 W CB -0.670 28.988 29.460 0.330 0.000 1.086 251 W HN -0.068 nan 8.180 nan 0.000 0.622 252 D N 1.866 121.986 120.400 -0.467 0.000 2.393 252 D HA -0.011 4.628 4.640 -0.001 0.000 0.232 252 D C 0.926 177.192 176.300 -0.057 0.000 1.192 252 D CA 0.121 53.987 54.000 -0.224 0.000 0.882 252 D CB 0.461 41.036 40.800 -0.375 0.000 1.038 252 D HN 0.083 nan 8.370 nan 0.000 0.499 253 N N 3.713 122.443 118.700 0.050 0.000 2.250 253 N HA -0.111 4.628 4.740 -0.001 0.000 0.181 253 N C 1.419 176.947 175.510 0.029 0.000 1.017 253 N CA 1.068 54.142 53.050 0.041 0.000 0.866 253 N CB 0.168 38.702 38.487 0.079 0.000 0.985 253 N HN 0.332 nan 8.380 nan 0.000 0.429 254 K N -1.214 119.209 120.400 0.038 0.000 2.137 254 K HA 0.095 4.415 4.320 -0.001 0.000 0.202 254 K C 0.559 177.173 176.600 0.023 0.000 1.052 254 K CA 0.984 57.291 56.287 0.033 0.000 0.961 254 K CB 0.049 32.575 32.500 0.043 0.000 0.741 254 K HN 0.249 nan 8.250 nan 0.000 0.452 255 G N 0.968 109.773 108.800 0.009 0.000 2.148 255 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.203 255 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.203 255 G C 0.103 175.007 174.900 0.006 0.000 0.993 255 G CA 0.340 45.443 45.100 0.005 0.000 0.661 255 G HN 0.356 nan 8.290 nan 0.000 0.518 256 D N 0.533 120.938 120.400 0.009 0.000 2.310 256 D HA -0.018 4.621 4.640 -0.001 0.000 0.212 256 D C 2.550 178.842 176.300 -0.014 0.000 0.965 256 D CA 1.713 55.717 54.000 0.006 0.000 0.879 256 D CB -0.151 40.660 40.800 0.018 0.000 0.921 256 D HN 0.671 nan 8.370 nan 0.000 0.510 257 T N -2.150 112.386 114.554 -0.030 0.000 3.129 257 T HA 0.341 4.691 4.350 -0.001 0.000 0.251 257 T C 0.956 175.620 174.700 -0.059 0.000 1.117 257 T CA -0.165 61.898 62.100 -0.061 0.000 1.034 257 T CB 0.057 68.876 68.868 -0.081 0.000 0.968 257 T HN 0.051 nan 8.240 nan 0.000 0.526 258 A N 1.430 124.239 122.820 -0.018 0.000 2.540 258 A HA 0.553 4.872 4.320 -0.001 0.000 0.239 258 A C -0.277 177.329 177.584 0.036 0.000 1.061 258 A CA -0.310 51.745 52.037 0.031 0.000 0.758 258 A CB -0.125 18.917 19.000 0.070 0.000 0.991 258 A HN 0.569 nan 8.150 nan 0.000 0.502 259 L N 2.829 124.095 121.223 0.071 0.000 2.409 259 L HA 0.552 4.891 4.340 -0.001 0.000 0.272 259 L C -0.620 176.308 176.870 0.096 0.000 0.980 259 L CA -0.541 54.335 54.840 0.059 0.000 0.826 259 L CB 1.394 43.453 42.059 0.000 0.000 1.268 259 L HN 0.668 nan 8.230 nan 0.000 0.407 260 F N 3.890 123.798 119.950 -0.070 0.000 2.602 260 F HA 0.329 4.855 4.527 -0.002 0.000 0.385 260 F C 0.067 175.747 175.800 -0.200 0.000 1.063 260 F CA 0.921 58.844 58.000 -0.129 0.000 1.233 260 F CB 0.393 39.330 39.000 -0.106 0.000 1.067 260 F HN 0.569 nan 8.300 nan 0.000 0.564 261 T N 5.380 119.379 114.554 -0.926 0.000 2.886 261 T HA 0.207 4.556 4.350 -0.001 0.000 0.292 261 T C -1.639 172.448 174.700 -1.023 0.000 1.012 261 T CA -0.493 61.133 62.100 -0.790 0.000 0.982 261 T CB 0.944 69.332 68.868 -0.799 0.000 1.018 261 T HN 0.609 nan 8.240 nan 0.000 0.451 262 H N 2.872 121.650 119.070 -0.486 0.000 2.551 262 H HA 0.624 5.179 4.556 -0.001 0.000 0.321 262 H C -0.383 174.767 175.328 -0.297 0.000 1.028 262 H CA -0.754 55.118 56.048 -0.294 0.000 1.215 262 H CB 0.727 30.532 29.762 0.072 0.000 1.414 262 H HN 0.496 nan 8.280 nan 0.000 0.480 263 M N 6.881 126.141 119.600 -0.567 0.000 2.157 263 M HA 0.294 4.773 4.480 -0.001 0.000 0.354 263 M C -0.903 175.152 176.300 -0.408 0.000 1.170 263 M CA -0.589 54.460 55.300 -0.419 0.000 1.060 263 M CB 0.712 33.119 32.600 -0.322 0.000 1.615 263 M HN 0.658 nan 8.290 nan 0.000 0.460 264 M N 6.791 126.246 119.600 -0.241 0.000 2.248 264 M HA 0.165 4.645 4.480 -0.001 0.000 0.337 264 M C -1.542 174.618 176.300 -0.233 0.000 1.121 264 M CA -1.113 54.092 55.300 -0.159 0.000 1.155 264 M CB 0.472 32.989 32.600 -0.138 0.000 1.514 264 M HN 0.498 nan 8.290 nan 0.000 0.452 265 P HA 0.070 nan 4.420 nan 0.000 0.239 265 P C -0.299 176.747 177.300 -0.424 0.000 1.188 265 P CA 0.970 63.722 63.100 -0.580 0.000 0.794 265 P CB 0.310 31.349 31.700 -1.102 0.000 0.937 266 F N -1.871 118.075 119.950 -0.007 0.000 2.535 266 F HA 0.293 4.819 4.527 -0.001 0.000 0.367 266 F C 2.041 177.926 175.800 0.141 0.000 1.096 266 F CA -1.562 56.477 58.000 0.065 0.000 1.088 266 F CB -0.902 38.081 39.000 -0.029 0.000 1.387 266 F HN -0.303 nan 8.300 nan 0.000 0.494 267 Y N -0.001 120.452 120.300 0.257 0.000 2.352 267 Y HA 0.065 4.614 4.550 -0.001 0.000 0.292 267 Y C 0.953 176.769 175.900 -0.139 0.000 1.136 267 Y CA 1.492 59.596 58.100 0.006 0.000 1.227 267 Y CB 0.088 38.471 38.460 -0.128 0.000 0.991 267 Y HN 0.371 nan 8.280 nan 0.000 0.545 268 S N -1.935 113.626 115.700 -0.231 0.000 2.651 268 S HA 0.260 4.729 4.470 -0.001 0.000 0.279 268 S C -0.426 174.101 174.600 -0.122 0.000 1.148 268 S CA -0.376 57.592 58.200 -0.386 0.000 0.837 268 S CB 0.351 63.289 63.200 -0.437 0.000 1.138 268 S HN 0.287 nan 8.310 nan 0.000 0.478 269 Y N 0.624 120.889 120.300 -0.058 0.000 2.457 269 Y HA 0.331 4.881 4.550 -0.001 0.000 0.263 269 Y C 0.454 176.435 175.900 0.136 0.000 1.164 269 Y CA -0.628 57.462 58.100 -0.016 0.000 1.274 269 Y CB -0.995 37.361 38.460 -0.172 0.000 1.097 269 Y HN 0.527 nan 8.280 nan 0.000 0.523 270 D N 0.794 121.209 120.400 0.025 0.000 2.369 270 D HA -0.043 4.596 4.640 -0.001 0.000 0.241 270 D C 1.311 177.742 176.300 0.220 0.000 1.271 270 D CA -0.351 53.752 54.000 0.173 0.000 0.942 270 D CB 0.809 41.670 40.800 0.103 0.000 1.129 270 D HN 0.255 nan 8.370 nan 0.000 0.476 271 I N -0.269 120.405 120.570 0.173 0.000 2.208 271 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 271 I C -0.714 175.437 176.117 0.056 0.000 1.097 271 I CA 0.971 62.354 61.300 0.139 0.000 1.363 271 I CB -1.247 36.822 38.000 0.114 0.000 1.051 271 I HN 0.329 nan 8.210 nan 0.000 0.413 272 P HA -0.165 nan 4.420 nan 0.000 0.220 272 P C 0.595 177.567 177.300 -0.546 0.000 1.144 272 P CA 1.637 64.542 63.100 -0.325 0.000 0.800 272 P CB -0.090 31.411 31.700 -0.332 0.000 0.772 273 H N -3.265 115.798 119.070 -0.012 0.000 2.512 273 H HA 0.213 4.768 4.556 -0.001 0.000 0.276 273 H C 0.949 176.376 175.328 0.166 0.000 1.126 273 H CA 0.546 56.601 56.048 0.012 0.000 1.060 273 H CB -0.143 29.695 29.762 0.127 0.000 1.646 273 H HN 0.099 nan 8.280 nan 0.000 0.571 274 T N -4.111 110.559 114.554 0.193 0.000 2.975 274 T HA -0.028 4.321 4.350 -0.001 0.000 0.261 274 T C 1.821 176.643 174.700 0.204 0.000 0.984 274 T CA 0.386 62.627 62.100 0.235 0.000 0.911 274 T CB -0.655 68.342 68.868 0.215 0.000 1.127 274 T HN 0.503 nan 8.240 nan 0.000 0.514 275 c N 1.569 120.260 118.600 0.152 0.000 2.563 275 c HA 0.712 5.281 4.570 -0.001 0.000 0.268 275 c C 1.317 175.523 174.090 0.194 0.000 1.365 275 c CA 0.322 56.779 56.329 0.214 0.000 1.754 275 c CB -1.195 41.410 42.510 0.157 0.000 1.932 275 c HN 0.861 nan 8.230 nan 0.000 0.536 276 G N -0.240 108.592 108.800 0.054 0.000 2.315 276 G HA2 0.388 4.347 3.960 -0.001 0.000 0.294 276 G HA3 0.388 4.347 3.960 -0.001 0.000 0.294 276 G C -2.684 171.825 174.900 -0.652 0.000 1.300 276 G CA 0.241 45.308 45.100 -0.055 0.000 0.843 276 G HN -0.106 nan 8.290 nan 0.000 0.527 277 P HA 0.085 nan 4.420 nan 0.000 0.229 277 P C -0.162 176.730 177.300 -0.680 0.000 1.160 277 P CA 1.016 63.419 63.100 -1.162 0.000 0.777 277 P CB 0.401 31.748 31.700 -0.588 0.000 0.814 278 D N 0.983 121.094 120.400 -0.481 0.000 2.454 278 D HA 0.142 4.781 4.640 -0.001 0.000 0.225 278 D C -1.464 174.499 176.300 -0.562 0.000 1.081 278 D CA -2.591 51.168 54.000 -0.402 0.000 0.864 278 D CB 1.385 42.033 40.800 -0.253 0.000 1.040 278 D HN 0.011 nan 8.370 nan 0.000 0.517 279 P HA -0.132 nan 4.420 nan 0.000 0.223 279 P C 1.207 177.711 177.300 -1.326 0.000 1.151 279 P CA 0.658 63.000 63.100 -1.264 0.000 0.787 279 P CB 0.515 31.162 31.700 -1.755 0.000 0.788 280 K N 0.350 120.130 120.400 -1.034 0.000 2.148 280 K HA -0.057 4.262 4.320 -0.001 0.000 0.204 280 K C 1.765 178.196 176.600 -0.282 0.000 1.050 280 K CA 1.051 57.028 56.287 -0.516 0.000 0.942 280 K CB -0.220 32.164 32.500 -0.193 0.000 0.724 280 K HN -0.068 nan 8.250 nan 0.000 0.446 281 V N 0.374 120.130 119.914 -0.264 0.000 2.379 281 V HA -0.221 3.898 4.120 -0.001 0.000 0.243 281 V C 2.386 178.462 176.094 -0.031 0.000 1.035 281 V CA 1.318 63.555 62.300 -0.105 0.000 1.035 281 V CB -0.298 31.477 31.823 -0.078 0.000 0.673 281 V HN 0.474 nan 8.190 nan 0.000 0.457 282 c N -0.696 117.807 118.600 -0.161 0.000 2.422 282 c HA -0.192 4.377 4.570 -0.001 0.000 0.279 282 c C 2.986 177.041 174.090 -0.058 0.000 1.305 282 c CA 0.705 57.001 56.329 -0.056 0.000 1.757 282 c CB -1.504 40.896 42.510 -0.183 0.000 1.962 282 c HN 0.751 nan 8.230 nan 0.000 0.499 283 c N 0.988 119.462 118.600 -0.210 0.000 2.411 283 c HA -0.162 4.408 4.570 -0.001 0.000 0.279 283 c C 2.632 176.609 174.090 -0.188 0.000 1.288 283 c CA 1.295 57.551 56.329 -0.123 0.000 1.764 283 c CB -1.462 41.057 42.510 0.016 0.000 1.974 283 c HN 0.642 nan 8.230 nan 0.000 0.498 284 Q N -1.330 118.305 119.800 -0.276 0.000 2.541 284 Q HA -0.037 4.302 4.340 -0.001 0.000 0.215 284 Q C 0.606 175.934 176.000 -1.121 0.000 0.977 284 Q CA 0.986 56.435 55.803 -0.591 0.000 0.934 284 Q CB -0.057 28.318 28.738 -0.604 0.000 0.988 284 Q HN 0.747 nan 8.270 nan 0.000 0.521 285 F N -0.253 119.429 119.950 -0.447 0.000 2.735 285 F HA 0.178 4.704 4.527 -0.001 0.000 0.304 285 F C 0.173 175.717 175.800 -0.428 0.000 1.119 285 F CA -0.635 57.018 58.000 -0.578 0.000 1.280 285 F CB 0.778 39.665 39.000 -0.188 0.000 0.994 285 F HN -0.144 nan 8.300 nan 0.000 0.520 286 D N 0.076 120.251 120.400 -0.375 0.000 2.473 286 D HA 0.145 4.784 4.640 -0.001 0.000 0.226 286 D C 0.461 176.563 176.300 -0.329 0.000 1.089 286 D CA -0.404 53.491 54.000 -0.176 0.000 0.883 286 D CB 0.206 40.956 40.800 -0.084 0.000 1.029 286 D HN 0.074 nan 8.370 nan 0.000 0.517 287 F N 1.883 121.840 119.950 0.012 0.000 2.771 287 F HA 0.092 4.618 4.527 -0.001 0.000 0.299 287 F C 2.321 178.074 175.800 -0.078 0.000 1.177 287 F CA 0.333 58.316 58.000 -0.029 0.000 1.450 287 F CB 0.065 39.071 39.000 0.010 0.000 1.114 287 F HN 0.267 nan 8.300 nan 0.000 0.587 288 K N 0.599 120.937 120.400 -0.104 0.000 2.444 288 K HA 0.078 4.397 4.320 -0.001 0.000 0.193 288 K C 1.114 177.689 176.600 -0.043 0.000 1.024 288 K CA 0.192 56.288 56.287 -0.320 0.000 1.077 288 K CB 0.158 32.324 32.500 -0.557 0.000 0.833 288 K HN 0.184 nan 8.250 nan 0.000 0.517 289 R N 0.057 120.548 120.500 -0.015 0.000 2.586 289 R HA 0.210 4.549 4.340 -0.001 0.000 0.306 289 R C 0.876 177.202 176.300 0.044 0.000 1.079 289 R CA -0.149 55.965 56.100 0.023 0.000 1.083 289 R CB 0.234 30.522 30.300 -0.019 0.000 1.306 289 R HN 0.162 nan 8.270 nan 0.000 0.567 290 M N -1.027 118.634 119.600 0.102 0.000 2.495 290 M HA 0.179 4.659 4.480 -0.001 0.000 0.237 290 M C 1.111 177.452 176.300 0.068 0.000 1.131 290 M CA 0.622 55.966 55.300 0.074 0.000 1.032 290 M CB 1.012 33.668 32.600 0.094 0.000 1.513 290 M HN 0.493 nan 8.290 nan 0.000 0.488 291 G N -0.096 108.761 108.800 0.094 0.000 4.020 291 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.195 291 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.195 291 G C 0.939 175.839 174.900 -0.000 0.000 1.819 291 G CA 0.196 45.320 45.100 0.040 0.000 1.109 291 G HN 0.370 nan 8.290 nan 0.000 0.385 292 S N 0.423 116.076 115.700 -0.079 0.000 2.469 292 S HA 0.138 4.607 4.470 -0.001 0.000 0.238 292 S C 1.711 176.078 174.600 -0.388 0.000 0.998 292 S CA 1.723 59.768 58.200 -0.258 0.000 0.957 292 S CB -0.421 62.547 63.200 -0.387 0.000 0.764 292 S HN 0.383 nan 8.310 nan 0.000 0.514 293 F N 1.641 121.589 119.950 -0.004 0.000 2.727 293 F HA 0.444 4.970 4.527 -0.001 0.000 0.302 293 F C 1.858 177.656 175.800 -0.004 0.000 1.097 293 F CA -0.224 57.772 58.000 -0.007 0.000 1.330 293 F CB -0.153 38.839 39.000 -0.013 0.000 1.084 293 F HN 0.336 nan 8.300 nan 0.000 0.578 294 G N 1.331 110.201 108.800 0.117 0.000 2.198 294 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 294 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 294 G C -0.129 174.823 174.900 0.087 0.000 1.025 294 G CA 0.149 45.297 45.100 0.079 0.000 0.769 294 G HN 0.322 nan 8.290 nan 0.000 0.507 295 L N 0.009 121.298 121.223 0.109 0.000 2.341 295 L HA 0.846 5.185 4.340 -0.001 0.000 0.267 295 L C 0.493 177.397 176.870 0.058 0.000 1.009 295 L CA -0.393 54.493 54.840 0.077 0.000 0.819 295 L CB 2.363 44.466 42.059 0.074 0.000 1.323 295 L HN 0.422 nan 8.230 nan 0.000 0.425 296 S N -0.614 115.108 115.700 0.035 0.000 2.720 296 S HA 0.562 5.031 4.470 -0.001 0.000 0.287 296 S C -1.181 173.434 174.600 0.024 0.000 1.168 296 S CA -0.795 57.417 58.200 0.021 0.000 0.832 296 S CB 1.696 64.898 63.200 0.003 0.000 1.166 296 S HN 0.525 nan 8.310 nan 0.000 0.493 297 c N 3.015 121.632 118.600 0.028 0.000 2.273 297 c HA 0.568 5.138 4.570 -0.001 0.000 0.328 297 c C -1.006 173.074 174.090 -0.016 0.000 1.275 297 c CA -1.190 55.191 56.329 0.088 0.000 1.704 297 c CB 0.934 43.529 42.510 0.141 0.000 2.326 297 c HN 0.770 nan 8.230 nan 0.000 0.517 298 P HA -0.061 nan 4.420 nan 0.000 0.237 298 P C 0.911 177.908 177.300 -0.505 0.000 1.178 298 P CA 1.086 63.911 63.100 -0.459 0.000 0.766 298 P CB 0.129 31.401 31.700 -0.713 0.000 0.876 299 W N 0.853 122.128 121.300 -0.041 0.000 3.345 299 W HA 0.204 4.863 4.660 -0.001 0.000 0.282 299 W C 0.666 177.156 176.519 -0.047 0.000 1.302 299 W CA -0.011 57.306 57.345 -0.048 0.000 1.724 299 W CB -0.329 29.093 29.460 -0.063 0.000 1.104 299 W HN 0.137 nan 8.180 nan 0.000 0.694 300 K N -1.019 119.420 120.400 0.066 0.000 3.500 300 K HA -0.189 4.130 4.320 -0.001 0.000 0.313 300 K C -0.281 176.338 176.600 0.032 0.000 1.338 300 K CA 0.620 56.925 56.287 0.029 0.000 0.963 300 K CB -1.949 30.558 32.500 0.011 0.000 1.267 300 K HN -0.102 nan 8.250 nan 0.000 0.448 301 V N 1.806 121.751 119.914 0.051 0.000 2.407 301 V HA 0.331 4.450 4.120 -0.001 0.000 0.291 301 V C -1.803 174.274 176.094 -0.028 0.000 1.018 301 V CA -1.494 60.806 62.300 0.002 0.000 0.842 301 V CB 1.537 33.354 31.823 -0.010 0.000 0.996 301 V HN -0.023 nan 8.190 nan 0.000 0.426 302 P HA 0.451 nan 4.420 nan 0.000 0.278 302 P C -2.820 174.387 177.300 -0.156 0.000 1.258 302 P CA -1.991 61.063 63.100 -0.077 0.000 0.811 302 P CB 0.971 32.643 31.700 -0.047 0.000 1.063 303 P HA 0.288 nan 4.420 nan 0.000 0.274 303 P C -0.414 176.785 177.300 -0.168 0.000 1.246 303 P CA -0.053 62.839 63.100 -0.348 0.000 0.795 303 P CB 0.984 32.383 31.700 -0.502 0.000 1.006 304 R N -0.243 120.177 120.500 -0.134 0.000 2.686 304 R HA 0.395 4.734 4.340 -0.001 0.000 0.283 304 R C -0.303 176.056 176.300 0.099 0.000 0.978 304 R CA -0.682 55.407 56.100 -0.019 0.000 0.897 304 R CB 1.572 31.837 30.300 -0.058 0.000 1.192 304 R HN 0.364 nan 8.270 nan 0.000 0.457 305 T N 3.506 118.111 114.554 0.086 0.000 2.934 305 T HA 0.052 4.401 4.350 -0.001 0.000 0.306 305 T C 0.773 175.472 174.700 -0.002 0.000 1.042 305 T CA 0.095 62.226 62.100 0.052 0.000 1.145 305 T CB 0.179 69.055 68.868 0.013 0.000 0.982 305 T HN 0.188 nan 8.240 nan 0.000 0.544 306 I N 3.867 124.390 120.570 -0.079 0.000 2.496 306 I HA 0.264 4.433 4.170 -0.001 0.000 0.285 306 I C 0.979 177.049 176.117 -0.078 0.000 1.080 306 I CA 0.094 61.343 61.300 -0.085 0.000 1.404 306 I CB 0.280 38.185 38.000 -0.158 0.000 1.403 306 I HN 0.799 nan 8.210 nan 0.000 0.539 307 S N 3.575 119.240 115.700 -0.060 0.000 2.697 307 S HA 0.449 4.919 4.470 -0.001 0.000 0.289 307 S C 0.232 174.800 174.600 -0.054 0.000 1.149 307 S CA -0.749 57.422 58.200 -0.048 0.000 0.850 307 S CB 1.992 65.171 63.200 -0.034 0.000 1.151 307 S HN 0.472 nan 8.310 nan 0.000 0.491 308 D N 0.642 121.019 120.400 -0.038 0.000 2.218 308 D HA -0.012 4.627 4.640 -0.001 0.000 0.204 308 D C 1.545 177.817 176.300 -0.047 0.000 0.976 308 D CA 1.338 55.315 54.000 -0.038 0.000 0.853 308 D CB -0.234 40.559 40.800 -0.013 0.000 0.939 308 D HN 0.511 nan 8.370 nan 0.000 0.481 309 Q N -0.028 119.749 119.800 -0.037 0.000 2.311 309 Q HA 0.011 4.350 4.340 -0.001 0.000 0.203 309 Q C 1.134 177.108 176.000 -0.042 0.000 0.954 309 Q CA 0.795 56.578 55.803 -0.033 0.000 0.885 309 Q CB -0.077 28.648 28.738 -0.022 0.000 0.963 309 Q HN 0.383 nan 8.270 nan 0.000 0.471 310 N N -1.787 116.881 118.700 -0.053 0.000 2.171 310 N HA -0.011 4.728 4.740 -0.001 0.000 0.212 310 N C 1.017 176.480 175.510 -0.078 0.000 1.184 310 N CA 0.096 53.115 53.050 -0.051 0.000 0.888 310 N CB -0.251 38.215 38.487 -0.036 0.000 1.038 310 N HN 0.035 nan 8.380 nan 0.000 0.517 311 V N 0.382 120.215 119.914 -0.135 0.000 2.490 311 V HA -0.073 4.046 4.120 -0.001 0.000 0.250 311 V C 2.186 178.075 176.094 -0.341 0.000 1.061 311 V CA 2.030 64.199 62.300 -0.218 0.000 1.064 311 V CB -0.821 30.841 31.823 -0.268 0.000 0.670 311 V HN 0.463 nan 8.190 nan 0.000 0.461 312 A N -0.278 122.340 122.820 -0.336 0.000 1.872 312 A HA 0.040 4.360 4.320 -0.001 0.000 0.214 312 A C 2.419 180.039 177.584 0.060 0.000 1.187 312 A CA 1.847 53.796 52.037 -0.147 0.000 0.614 312 A CB -0.948 18.048 19.000 -0.006 0.000 0.826 312 A HN 0.757 nan 8.150 nan 0.000 0.442 313 A N -0.344 122.490 122.820 0.022 0.000 1.898 313 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 313 A C 2.236 179.856 177.584 0.061 0.000 1.181 313 A CA 1.328 53.396 52.037 0.051 0.000 0.620 313 A CB -0.420 18.594 19.000 0.023 0.000 0.819 313 A HN 0.421 nan 8.150 nan 0.000 0.442 314 R N 0.050 120.581 120.500 0.052 0.000 2.075 314 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 314 R C 2.398 178.723 176.300 0.042 0.000 1.126 314 R CA 1.537 57.724 56.100 0.145 0.000 0.963 314 R CB -0.939 29.458 30.300 0.161 0.000 0.858 314 R HN 0.527 nan 8.270 nan 0.000 0.435 315 S N 1.448 117.132 115.700 -0.027 0.000 2.368 315 S HA -0.119 4.351 4.470 -0.001 0.000 0.225 315 S C 1.356 175.818 174.600 -0.230 0.000 1.030 315 S CA 1.369 59.462 58.200 -0.178 0.000 0.999 315 S CB -0.234 63.018 63.200 0.086 0.000 0.844 315 S HN 0.264 nan 8.310 nan 0.000 0.459 316 D N 1.594 122.043 120.400 0.082 0.000 2.116 316 D HA -0.085 4.554 4.640 -0.001 0.000 0.193 316 D C 1.880 178.168 176.300 -0.020 0.000 0.998 316 D CA 0.864 54.962 54.000 0.163 0.000 0.836 316 D CB -0.416 40.506 40.800 0.202 0.000 0.951 316 D HN 0.293 nan 8.370 nan 0.000 0.449 317 L N -0.129 121.060 121.223 -0.056 0.000 2.056 317 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 317 L C 2.366 179.051 176.870 -0.308 0.000 1.078 317 L CA 0.473 55.262 54.840 -0.085 0.000 0.749 317 L CB -0.180 41.904 42.059 0.043 0.000 0.901 317 L HN 0.079 nan 8.230 nan 0.000 0.433 318 L N -0.851 120.005 121.223 -0.613 0.000 2.044 318 L HA -0.116 4.223 4.340 -0.001 0.000 0.205 318 L C 2.337 178.520 176.870 -1.146 0.000 1.075 318 L CA 1.546 55.708 54.840 -1.130 0.000 0.747 318 L CB -0.355 40.732 42.059 -1.621 0.000 0.903 318 L HN -0.093 nan 8.230 nan 0.000 0.435 319 V N 0.116 119.453 119.914 -0.962 0.000 2.392 319 V HA -0.328 3.791 4.120 -0.001 0.000 0.249 319 V C 2.335 178.250 176.094 -0.298 0.000 1.059 319 V CA 1.991 63.888 62.300 -0.672 0.000 1.051 319 V CB -0.855 30.508 31.823 -0.767 0.000 0.658 319 V HN 0.599 nan 8.190 nan 0.000 0.455 320 D N -0.791 119.496 120.400 -0.188 0.000 2.123 320 D HA -0.212 4.427 4.640 -0.001 0.000 0.196 320 D C 2.236 178.525 176.300 -0.018 0.000 0.992 320 D CA 1.274 55.287 54.000 0.022 0.000 0.833 320 D CB -0.016 40.846 40.800 0.103 0.000 0.954 320 D HN 0.314 nan 8.370 nan 0.000 0.455 321 Q N -0.559 119.156 119.800 -0.142 0.000 2.046 321 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 321 Q C 2.179 178.210 176.000 0.053 0.000 0.975 321 Q CA 0.948 56.700 55.803 -0.085 0.000 0.836 321 Q CB -0.614 28.014 28.738 -0.183 0.000 0.896 321 Q HN 0.551 nan 8.270 nan 0.000 0.428 322 W N 1.568 122.768 121.300 -0.167 0.000 2.338 322 W HA -0.126 4.533 4.660 -0.002 0.000 0.304 322 W C 2.031 178.438 176.519 -0.186 0.000 1.212 322 W CA 0.823 58.067 57.345 -0.168 0.000 1.264 322 W CB -0.650 28.678 29.460 -0.219 0.000 1.142 322 W HN 0.228 nan 8.180 nan 0.000 0.512 323 K N 0.073 120.444 120.400 -0.049 0.000 2.217 323 K HA -0.113 4.206 4.320 -0.001 0.000 0.202 323 K C 1.942 178.409 176.600 -0.221 0.000 1.051 323 K CA 1.078 57.177 56.287 -0.314 0.000 0.952 323 K CB -0.191 31.783 32.500 -0.877 0.000 0.736 323 K HN 0.077 nan 8.250 nan 0.000 0.453 324 K N 1.024 121.401 120.400 -0.040 0.000 2.025 324 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 324 K C 2.105 178.788 176.600 0.138 0.000 1.049 324 K CA 1.135 57.514 56.287 0.153 0.000 0.933 324 K CB 0.021 32.619 32.500 0.163 0.000 0.714 324 K HN -0.001 nan 8.250 nan 0.000 0.438 325 K N 0.862 121.344 120.400 0.137 0.000 2.097 325 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 325 K C 1.994 178.716 176.600 0.203 0.000 1.049 325 K CA 1.239 57.631 56.287 0.176 0.000 0.933 325 K CB -0.073 32.546 32.500 0.198 0.000 0.717 325 K HN 0.127 nan 8.250 nan 0.000 0.442 326 A N 1.129 124.046 122.820 0.162 0.000 2.070 326 A HA -0.121 4.198 4.320 -0.001 0.000 0.220 326 A C 1.686 179.435 177.584 0.276 0.000 1.159 326 A CA 1.239 53.403 52.037 0.212 0.000 0.656 326 A CB -0.304 18.774 19.000 0.130 0.000 0.800 326 A HN 0.308 nan 8.150 nan 0.000 0.453 327 E N 0.031 120.374 120.200 0.238 0.000 2.333 327 E HA -0.082 4.267 4.350 -0.001 0.000 0.198 327 E C 1.525 178.256 176.600 0.218 0.000 1.007 327 E CA 0.646 57.198 56.400 0.253 0.000 0.845 327 E CB -0.215 29.662 29.700 0.294 0.000 0.766 327 E HN 0.722 nan 8.360 nan 0.000 0.507 328 L N -0.535 120.775 121.223 0.145 0.000 2.591 328 L HA 0.062 4.401 4.340 -0.001 0.000 0.228 328 L C 0.159 176.837 176.870 -0.320 0.000 1.133 328 L CA 0.201 54.997 54.840 -0.072 0.000 0.880 328 L CB -0.087 41.802 42.059 -0.282 0.000 1.033 328 L HN -0.014 nan 8.230 nan 0.000 0.450 329 Y N -1.575 118.808 120.300 0.138 0.000 2.602 329 Y HA 0.379 4.928 4.550 -0.001 0.000 0.342 329 Y C 1.113 177.127 175.900 0.190 0.000 1.029 329 Y CA -1.003 57.198 58.100 0.168 0.000 1.080 329 Y CB 1.221 39.788 38.460 0.178 0.000 1.284 329 Y HN -0.270 nan 8.280 nan 0.000 0.485 330 R N -0.544 120.189 120.500 0.389 0.000 2.254 330 R HA 0.083 4.422 4.340 -0.001 0.000 0.195 330 R C 0.403 176.835 176.300 0.220 0.000 0.957 330 R CA 0.808 57.050 56.100 0.237 0.000 1.024 330 R CB 0.194 30.559 30.300 0.109 0.000 0.952 330 R HN 0.755 nan 8.270 nan 0.000 0.484 331 T N -0.828 113.900 114.554 0.290 0.000 2.889 331 T HA 0.107 4.456 4.350 -0.001 0.000 0.278 331 T C 0.640 175.484 174.700 0.240 0.000 0.995 331 T CA -0.906 61.331 62.100 0.228 0.000 0.966 331 T CB 1.143 70.125 68.868 0.191 0.000 1.237 331 T HN 0.078 nan 8.240 nan 0.000 0.591 332 N N -0.130 118.681 118.700 0.185 0.000 2.279 332 N HA 0.155 4.895 4.740 -0.001 0.000 0.226 332 N C -0.762 174.724 175.510 -0.040 0.000 1.126 332 N CA -0.377 52.743 53.050 0.116 0.000 0.846 332 N CB -0.056 38.422 38.487 -0.015 0.000 1.050 332 N HN 0.371 nan 8.380 nan 0.000 0.502 333 V N 1.351 121.276 119.914 0.017 0.000 2.444 333 V HA 0.407 4.526 4.120 -0.001 0.000 0.294 333 V C -0.695 175.470 176.094 0.118 0.000 1.022 333 V CA -0.949 61.363 62.300 0.019 0.000 0.850 333 V CB 1.574 33.383 31.823 -0.023 0.000 0.992 333 V HN 0.173 nan 8.190 nan 0.000 0.426 334 L N 5.841 127.072 121.223 0.014 0.000 2.313 334 L HA 0.678 5.017 4.340 -0.001 0.000 0.283 334 L C -0.796 175.932 176.870 -0.238 0.000 1.013 334 L CA -0.453 54.314 54.840 -0.121 0.000 0.816 334 L CB 1.622 43.508 42.059 -0.288 0.000 1.236 334 L HN 0.636 nan 8.230 nan 0.000 0.419 335 L N 6.503 127.384 121.223 -0.571 0.000 2.265 335 L HA 0.541 4.880 4.340 -0.001 0.000 0.288 335 L C -1.016 175.561 176.870 -0.490 0.000 1.058 335 L CA 0.176 54.511 54.840 -0.841 0.000 0.809 335 L CB 0.694 41.762 42.059 -1.652 0.000 1.179 335 L HN 0.435 nan 8.230 nan 0.000 0.429 336 I N 7.545 127.911 120.570 -0.340 0.000 2.502 336 I HA 0.345 4.514 4.170 -0.001 0.000 0.276 336 I C -2.270 173.824 176.117 -0.040 0.000 1.057 336 I CA -2.094 59.097 61.300 -0.182 0.000 1.163 336 I CB 1.015 38.882 38.000 -0.221 0.000 1.288 336 I HN 0.434 nan 8.210 nan 0.000 0.479 337 P HA 0.146 nan 4.420 nan 0.000 0.269 337 P C -0.414 177.062 177.300 0.292 0.000 1.209 337 P CA -0.236 62.991 63.100 0.211 0.000 0.776 337 P CB 0.842 32.701 31.700 0.265 0.000 0.876 338 L N 2.945 124.384 121.223 0.360 0.000 2.462 338 L HA 0.751 5.090 4.340 -0.001 0.000 0.255 338 L C -0.078 176.886 176.870 0.158 0.000 1.076 338 L CA 0.400 55.381 54.840 0.236 0.000 0.920 338 L CB 0.355 42.478 42.059 0.108 0.000 1.214 338 L HN 0.609 nan 8.230 nan 0.000 0.472 339 G N 1.563 110.338 108.800 -0.040 0.000 2.430 339 G HA2 0.468 4.427 3.960 -0.001 0.000 0.300 339 G HA3 0.468 4.427 3.960 -0.001 0.000 0.300 339 G C -2.154 172.624 174.900 -0.203 0.000 1.330 339 G CA -0.214 44.594 45.100 -0.486 0.000 0.813 339 G HN 0.354 nan 8.290 nan 0.000 0.487 340 D N -1.807 118.534 120.400 -0.098 0.000 3.182 340 D HA 0.303 4.942 4.640 -0.001 0.000 0.352 340 D C -1.516 174.917 176.300 0.222 0.000 1.421 340 D CA -0.409 53.720 54.000 0.214 0.000 0.912 340 D CB 1.283 42.159 40.800 0.127 0.000 1.461 340 D HN 0.211 nan 8.370 nan 0.000 0.548 341 D N 0.313 120.889 120.400 0.294 0.000 2.351 341 D HA 0.264 4.903 4.640 -0.001 0.000 0.251 341 D C 0.147 176.596 176.300 0.249 0.000 1.137 341 D CA 0.260 54.423 54.000 0.273 0.000 0.879 341 D CB -0.119 40.931 40.800 0.417 0.000 1.181 341 D HN 0.327 nan 8.370 nan 0.000 0.448 342 F N 0.290 120.305 119.950 0.109 0.000 3.079 342 F HA -0.302 4.224 4.527 -0.001 0.000 0.274 342 F C 1.082 176.921 175.800 0.064 0.000 0.940 342 F CA 0.657 58.696 58.000 0.066 0.000 0.932 342 F CB -0.898 38.131 39.000 0.048 0.000 0.891 342 F HN 0.211 nan 8.300 nan 0.000 0.722 343 R N -0.568 120.010 120.500 0.131 0.000 2.580 343 R HA 0.445 4.784 4.340 -0.001 0.000 0.267 343 R C 0.736 177.045 176.300 0.016 0.000 1.125 343 R CA -0.702 55.361 56.100 -0.061 0.000 1.188 343 R CB -0.129 30.021 30.300 -0.249 0.000 1.155 343 R HN 0.165 nan 8.270 nan 0.000 0.586 344 F N -0.692 119.084 119.950 -0.289 0.000 3.071 344 F HA -0.281 4.245 4.527 -0.001 0.000 0.295 344 F C 1.348 177.090 175.800 -0.097 0.000 0.919 344 F CA 1.046 58.672 58.000 -0.624 0.000 1.050 344 F CB -1.086 37.286 39.000 -1.046 0.000 1.040 344 F HN 0.597 nan 8.300 nan 0.000 0.692 345 K N -0.059 120.387 120.400 0.076 0.000 2.102 345 K HA 0.040 4.360 4.320 -0.001 0.000 0.208 345 K C 0.672 177.421 176.600 0.248 0.000 1.027 345 K CA 0.631 57.044 56.287 0.211 0.000 0.958 345 K CB 0.149 32.744 32.500 0.159 0.000 0.819 345 K HN 0.253 nan 8.250 nan 0.000 0.453 346 Q N 1.581 121.491 119.800 0.183 0.000 2.364 346 Q HA 0.061 4.400 4.340 -0.001 0.000 0.267 346 Q C 0.580 176.784 176.000 0.339 0.000 0.999 346 Q CA -0.032 55.918 55.803 0.245 0.000 0.886 346 Q CB 0.896 29.832 28.738 0.331 0.000 1.243 346 Q HN 0.253 nan 8.270 nan 0.000 0.415 347 N N 0.657 119.545 118.700 0.312 0.000 2.149 347 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 347 N C 1.370 177.091 175.510 0.352 0.000 1.019 347 N CA 1.855 55.120 53.050 0.359 0.000 0.857 347 N CB -0.235 38.403 38.487 0.251 0.000 0.997 347 N HN 0.772 nan 8.380 nan 0.000 0.426 348 T N -1.376 113.361 114.554 0.305 0.000 2.915 348 T HA -0.080 4.269 4.350 -0.001 0.000 0.269 348 T C 1.683 176.587 174.700 0.341 0.000 1.071 348 T CA 0.983 63.274 62.100 0.319 0.000 1.132 348 T CB -0.021 69.026 68.868 0.297 0.000 0.878 348 T HN 0.323 nan 8.240 nan 0.000 0.479 349 E N -0.165 120.174 120.200 0.232 0.000 2.072 349 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 349 E C 1.773 178.277 176.600 -0.160 0.000 0.982 349 E CA 0.734 57.023 56.400 -0.185 0.000 0.803 349 E CB -0.240 29.177 29.700 -0.471 0.000 0.755 349 E HN 0.696 nan 8.360 nan 0.000 0.453 350 W N 1.910 123.133 121.300 -0.129 0.000 2.335 350 W HA -0.188 4.471 4.660 -0.001 0.000 0.311 350 W C 2.137 178.518 176.519 -0.230 0.000 1.213 350 W CA 1.348 58.526 57.345 -0.278 0.000 1.274 350 W CB -0.252 28.619 29.460 -0.981 0.000 1.148 350 W HN 0.176 nan 8.180 nan 0.000 0.498 351 D N -0.554 119.934 120.400 0.147 0.000 2.117 351 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 351 D C 2.243 178.624 176.300 0.135 0.000 0.987 351 D CA 1.469 55.593 54.000 0.207 0.000 0.829 351 D CB -0.913 40.036 40.800 0.249 0.000 0.961 351 D HN 0.063 nan 8.370 nan 0.000 0.460 352 V N 1.078 121.062 119.914 0.118 0.000 2.427 352 V HA -0.199 3.920 4.120 -0.001 0.000 0.248 352 V C 2.252 178.376 176.094 0.051 0.000 1.051 352 V CA 1.525 63.876 62.300 0.084 0.000 1.048 352 V CB -0.032 31.891 31.823 0.168 0.000 0.666 352 V HN 0.121 nan 8.190 nan 0.000 0.456 353 Q N -0.308 119.555 119.800 0.105 0.000 2.049 353 Q HA -0.172 4.167 4.340 -0.001 0.000 0.198 353 Q C 2.338 178.516 176.000 0.297 0.000 0.971 353 Q CA 1.795 57.752 55.803 0.257 0.000 0.833 353 Q CB -0.465 28.397 28.738 0.207 0.000 0.896 353 Q HN 0.607 nan 8.270 nan 0.000 0.434 354 R N 0.535 121.166 120.500 0.218 0.000 2.070 354 R HA -0.116 4.223 4.340 -0.001 0.000 0.233 354 R C 2.250 178.700 176.300 0.250 0.000 1.137 354 R CA 1.508 57.774 56.100 0.276 0.000 0.945 354 R CB -0.119 30.300 30.300 0.198 0.000 0.845 354 R HN 0.064 nan 8.270 nan 0.000 0.430 355 V N 1.913 121.898 119.914 0.117 0.000 2.407 355 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 355 V C 1.966 177.990 176.094 -0.117 0.000 1.055 355 V CA 1.851 64.169 62.300 0.030 0.000 1.049 355 V CB -0.610 31.226 31.823 0.020 0.000 0.662 355 V HN 0.436 nan 8.190 nan 0.000 0.455 356 N N -0.859 117.657 118.700 -0.307 0.000 2.216 356 N HA -0.125 4.615 4.740 -0.001 0.000 0.183 356 N C 1.824 177.008 175.510 -0.543 0.000 1.017 356 N CA 1.379 54.036 53.050 -0.655 0.000 0.861 356 N CB -0.232 37.257 38.487 -1.663 0.000 0.986 356 N HN 0.525 nan 8.380 nan 0.000 0.428 357 Y N 1.899 122.003 120.300 -0.328 0.000 2.263 357 Y HA -0.026 4.523 4.550 -0.001 0.000 0.292 357 Y C 2.245 177.628 175.900 -0.861 0.000 1.130 357 Y CA 0.934 58.730 58.100 -0.507 0.000 1.179 357 Y CB 0.025 38.309 38.460 -0.293 0.000 0.998 357 Y HN 0.112 nan 8.280 nan 0.000 0.532 358 E N -0.307 119.733 120.200 -0.266 0.000 2.150 358 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 358 E C 2.141 178.673 176.600 -0.113 0.000 0.985 358 E CA 0.760 57.070 56.400 -0.150 0.000 0.814 358 E CB -0.095 29.669 29.700 0.107 0.000 0.752 358 E HN 0.467 nan 8.360 nan 0.000 0.466 359 R N 0.357 120.772 120.500 -0.142 0.000 2.075 359 R HA -0.062 4.277 4.340 -0.001 0.000 0.232 359 R C 2.412 178.673 176.300 -0.065 0.000 1.126 359 R CA 0.806 56.858 56.100 -0.080 0.000 0.963 359 R CB -0.202 30.035 30.300 -0.105 0.000 0.858 359 R HN 0.146 nan 8.270 nan 0.000 0.435 360 L N -0.343 120.769 121.223 -0.185 0.000 2.017 360 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 360 L C 2.090 178.987 176.870 0.046 0.000 1.073 360 L CA 1.138 55.907 54.840 -0.119 0.000 0.745 360 L CB -0.391 41.511 42.059 -0.262 0.000 0.894 360 L HN 0.083 nan 8.230 nan 0.000 0.432 361 F N 0.202 120.160 119.950 0.014 0.000 2.134 361 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 361 F C 2.636 178.439 175.800 0.005 0.000 1.097 361 F CA 1.267 59.264 58.000 -0.004 0.000 1.264 361 F CB -1.024 37.932 39.000 -0.074 0.000 1.001 361 F HN 0.195 nan 8.300 nan 0.000 0.479 362 E N -0.716 119.606 120.200 0.203 0.000 2.085 362 E HA -0.292 4.057 4.350 -0.001 0.000 0.194 362 E C 2.202 178.884 176.600 0.135 0.000 0.994 362 E CA 1.504 57.987 56.400 0.138 0.000 0.801 362 E CB -0.210 29.554 29.700 0.107 0.000 0.743 362 E HN 0.523 nan 8.360 nan 0.000 0.453 363 H N 0.258 119.372 119.070 0.072 0.000 2.276 363 H HA -0.042 4.513 4.556 -0.001 0.000 0.301 363 H C 2.056 177.464 175.328 0.134 0.000 1.073 363 H CA 2.146 58.248 56.048 0.089 0.000 1.311 363 H CB -0.246 29.563 29.762 0.079 0.000 1.379 363 H HN 0.131 nan 8.280 nan 0.000 0.494 364 I N 0.592 121.214 120.570 0.086 0.000 2.151 364 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 364 I C 1.706 177.849 176.117 0.043 0.000 1.080 364 I CA 1.501 62.826 61.300 0.041 0.000 1.339 364 I CB -0.362 37.610 38.000 -0.047 0.000 1.039 364 I HN 0.373 nan 8.210 nan 0.000 0.409 365 N N 0.364 119.082 118.700 0.030 0.000 2.453 365 N HA -0.118 4.621 4.740 -0.001 0.000 0.183 365 N C 1.840 177.330 175.510 -0.032 0.000 1.041 365 N CA 1.511 54.553 53.050 -0.013 0.000 0.900 365 N CB -0.285 38.189 38.487 -0.023 0.000 0.961 365 N HN 0.438 nan 8.380 nan 0.000 0.443 366 S N -1.108 114.565 115.700 -0.046 0.000 2.535 366 S HA 0.141 4.610 4.470 -0.001 0.000 0.214 366 S C 0.574 175.111 174.600 -0.106 0.000 0.980 366 S CA -0.134 58.029 58.200 -0.061 0.000 0.907 366 S CB 0.301 63.479 63.200 -0.037 0.000 0.790 366 S HN -0.038 nan 8.310 nan 0.000 0.510 367 Q N 1.368 121.068 119.800 -0.166 0.000 2.465 367 Q HA 0.558 4.897 4.340 -0.001 0.000 0.237 367 Q C 0.984 176.796 176.000 -0.314 0.000 1.051 367 Q CA 0.084 55.718 55.803 -0.281 0.000 0.874 367 Q CB 1.081 29.512 28.738 -0.513 0.000 1.207 367 Q HN 0.443 nan 8.270 nan 0.000 0.508 368 A N 2.624 125.344 122.820 -0.166 0.000 1.948 368 A HA -0.272 4.047 4.320 -0.001 0.000 0.220 368 A C 1.542 179.045 177.584 -0.135 0.000 1.177 368 A CA 2.241 54.211 52.037 -0.111 0.000 0.636 368 A CB -0.755 18.218 19.000 -0.046 0.000 0.815 368 A HN 0.889 nan 8.150 nan 0.000 0.449 369 H N -3.794 115.179 119.070 -0.160 0.000 2.543 369 H HA 0.030 4.585 4.556 -0.001 0.000 0.286 369 H C 1.225 176.486 175.328 -0.111 0.000 1.037 369 H CA 1.298 57.248 56.048 -0.163 0.000 1.250 369 H CB -0.490 29.123 29.762 -0.247 0.000 1.373 369 H HN 0.437 nan 8.280 nan 0.000 0.580 370 F N 0.807 120.508 119.950 -0.416 0.000 2.473 370 F HA 0.096 4.622 4.527 -0.001 0.000 0.294 370 F C 0.724 176.474 175.800 -0.082 0.000 1.103 370 F CA 0.163 58.040 58.000 -0.205 0.000 1.442 370 F CB -0.183 38.663 39.000 -0.257 0.000 1.097 370 F HN 0.139 nan 8.300 nan 0.000 0.547 371 N N 0.886 119.637 118.700 0.085 0.000 2.725 371 N HA -0.165 4.575 4.740 -0.001 0.000 0.251 371 N C -0.943 174.556 175.510 -0.019 0.000 1.031 371 N CA 0.416 53.493 53.050 0.044 0.000 0.720 371 N CB -1.439 37.116 38.487 0.113 0.000 0.930 371 N HN 0.022 nan 8.380 nan 0.000 0.543 372 V N 0.640 120.536 119.914 -0.031 0.000 2.680 372 V HA 0.424 4.543 4.120 -0.001 0.000 0.309 372 V C 0.183 176.192 176.094 -0.142 0.000 1.052 372 V CA -0.641 61.587 62.300 -0.120 0.000 0.908 372 V CB 2.451 34.239 31.823 -0.059 0.000 1.001 372 V HN 0.191 nan 8.190 nan 0.000 0.431 373 Q N 3.031 122.687 119.800 -0.240 0.000 2.347 373 Q HA 0.738 5.077 4.340 -0.001 0.000 0.265 373 Q C -0.844 174.898 176.000 -0.430 0.000 1.024 373 Q CA -0.174 55.466 55.803 -0.272 0.000 0.731 373 Q CB 1.558 30.138 28.738 -0.264 0.000 1.245 373 Q HN 0.985 nan 8.270 nan 0.000 0.472 374 A N 4.357 126.911 122.820 -0.443 0.000 2.337 374 A HA 0.906 5.226 4.320 -0.001 0.000 0.329 374 A C -1.086 175.795 177.584 -1.173 0.000 1.146 374 A CA -0.475 51.121 52.037 -0.734 0.000 0.800 374 A CB 1.105 19.859 19.000 -0.410 0.000 1.220 374 A HN 0.766 nan 8.150 nan 0.000 0.472 375 Q N 1.178 120.195 119.800 -1.305 0.000 2.575 375 Q HA 0.460 4.800 4.340 -0.001 0.000 0.290 375 Q C -1.676 173.869 176.000 -0.758 0.000 0.963 375 Q CA -0.701 54.373 55.803 -1.216 0.000 0.783 375 Q CB 0.546 28.948 28.738 -0.561 0.000 1.467 375 Q HN 0.378 nan 8.270 nan 0.000 0.402 376 F N 0.475 120.330 119.950 -0.159 0.000 2.506 376 F HA 0.641 5.167 4.527 -0.001 0.000 0.351 376 F C 1.229 177.068 175.800 0.066 0.000 1.136 376 F CA 1.419 59.452 58.000 0.054 0.000 1.298 376 F CB 1.000 40.087 39.000 0.146 0.000 1.145 376 F HN 0.761 nan 8.300 nan 0.000 0.593 377 G N 0.158 109.139 108.800 0.301 0.000 2.721 377 G HA2 0.612 4.571 3.960 -0.001 0.000 0.296 377 G HA3 0.612 4.571 3.960 -0.001 0.000 0.296 377 G C -1.141 173.772 174.900 0.021 0.000 1.383 377 G CA -0.597 44.627 45.100 0.207 0.000 0.788 377 G HN 0.714 nan 8.290 nan 0.000 0.500 378 T N -1.968 112.521 114.554 -0.109 0.000 2.938 378 T HA 0.486 4.835 4.350 -0.001 0.000 0.285 378 T C 1.198 175.753 174.700 -0.241 0.000 1.028 378 T CA -0.502 61.493 62.100 -0.174 0.000 1.005 378 T CB 1.598 70.374 68.868 -0.152 0.000 1.157 378 T HN 0.536 nan 8.240 nan 0.000 0.550 379 L N 0.584 121.663 121.223 -0.241 0.000 2.046 379 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 379 L C 2.757 179.588 176.870 -0.064 0.000 1.077 379 L CA 1.974 56.699 54.840 -0.191 0.000 0.747 379 L CB -1.162 40.822 42.059 -0.124 0.000 0.896 379 L HN 0.894 nan 8.230 nan 0.000 0.432 380 Q N -0.055 119.730 119.800 -0.025 0.000 2.124 380 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 380 Q C 2.077 178.009 176.000 -0.115 0.000 0.977 380 Q CA 1.952 57.768 55.803 0.022 0.000 0.850 380 Q CB -0.162 28.563 28.738 -0.022 0.000 0.901 380 Q HN 0.630 nan 8.270 nan 0.000 0.429 381 E N -1.249 118.797 120.200 -0.257 0.000 2.110 381 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 381 E C 1.679 177.829 176.600 -0.750 0.000 0.988 381 E CA 1.151 57.276 56.400 -0.458 0.000 0.804 381 E CB -0.290 29.083 29.700 -0.545 0.000 0.745 381 E HN 0.490 nan 8.360 nan 0.000 0.458 382 Y N 0.574 120.350 120.300 -0.874 0.000 2.114 382 Y HA -0.256 4.293 4.550 -0.001 0.000 0.284 382 Y C 1.862 177.439 175.900 -0.539 0.000 1.143 382 Y CA 1.563 59.148 58.100 -0.860 0.000 1.135 382 Y CB -0.452 37.549 38.460 -0.766 0.000 0.980 382 Y HN -0.081 nan 8.280 nan 0.000 0.499 383 F N 0.994 120.680 119.950 -0.439 0.000 2.171 383 F HA -0.188 4.338 4.527 -0.002 0.000 0.300 383 F C 2.241 177.791 175.800 -0.417 0.000 1.090 383 F CA 1.767 59.480 58.000 -0.478 0.000 1.293 383 F CB -0.809 38.105 39.000 -0.144 0.000 1.013 383 F HN 0.109 nan 8.300 nan 0.000 0.486 384 D N 0.009 120.342 120.400 -0.112 0.000 2.117 384 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 384 D C 2.355 178.562 176.300 -0.155 0.000 0.987 384 D CA 1.472 55.419 54.000 -0.088 0.000 0.829 384 D CB -0.558 40.182 40.800 -0.101 0.000 0.961 384 D HN 0.243 nan 8.370 nan 0.000 0.460 385 A N 0.446 123.107 122.820 -0.265 0.000 1.930 385 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 385 A C 2.518 179.968 177.584 -0.222 0.000 1.175 385 A CA 0.891 52.820 52.037 -0.180 0.000 0.627 385 A CB -0.588 18.369 19.000 -0.072 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N -0.156 119.490 119.914 -0.446 0.000 2.295 386 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 386 V C 2.413 178.313 176.094 -0.323 0.000 1.049 386 V CA 2.083 64.118 62.300 -0.442 0.000 1.024 386 V CB -1.010 30.361 31.823 -0.754 0.000 0.648 386 V HN 0.651 nan 8.190 nan 0.000 0.447 387 H N -0.250 118.699 119.070 -0.202 0.000 2.457 387 H HA -0.103 4.452 4.556 -0.001 0.000 0.294 387 H C 2.403 177.695 175.328 -0.061 0.000 1.064 387 H CA 1.417 57.380 56.048 -0.142 0.000 1.330 387 H CB -0.077 29.560 29.762 -0.208 0.000 1.395 387 H HN 0.540 nan 8.280 nan 0.000 0.541 388 Q N 0.116 119.929 119.800 0.021 0.000 2.119 388 Q HA -0.019 4.320 4.340 -0.001 0.000 0.201 388 Q C 2.511 178.529 176.000 0.031 0.000 0.972 388 Q CA 1.165 56.980 55.803 0.021 0.000 0.847 388 Q CB 0.084 28.822 28.738 -0.000 0.000 0.903 388 Q HN 0.410 nan 8.270 nan 0.000 0.433 389 A N 0.865 123.700 122.820 0.024 0.000 1.898 389 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 389 A C 1.917 179.538 177.584 0.062 0.000 1.181 389 A CA 1.470 53.536 52.037 0.049 0.000 0.620 389 A CB -0.479 18.555 19.000 0.057 0.000 0.819 389 A HN 0.425 nan 8.150 nan 0.000 0.442 390 E N -0.104 120.154 120.200 0.097 0.000 2.038 390 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 390 E C 2.258 178.905 176.600 0.078 0.000 1.000 390 E CA 1.290 57.761 56.400 0.118 0.000 0.803 390 E CB -0.157 29.727 29.700 0.308 0.000 0.750 390 E HN 0.564 nan 8.360 nan 0.000 0.448 391 R N -0.213 120.335 120.500 0.079 0.000 2.105 391 R HA -0.100 4.239 4.340 -0.001 0.000 0.239 391 R C 2.186 178.507 176.300 0.035 0.000 1.135 391 R CA 1.009 57.139 56.100 0.050 0.000 0.967 391 R CB -0.278 30.046 30.300 0.039 0.000 0.861 391 R HN 0.160 nan 8.270 nan 0.000 0.442 392 A N 0.246 123.087 122.820 0.036 0.000 2.239 392 A HA 0.134 4.453 4.320 -0.001 0.000 0.209 392 A C 1.335 178.933 177.584 0.024 0.000 1.171 392 A CA 0.843 52.899 52.037 0.031 0.000 0.768 392 A CB -0.358 18.666 19.000 0.040 0.000 0.790 392 A HN 0.491 nan 8.150 nan 0.000 0.478 393 G N -0.980 107.831 108.800 0.019 0.000 2.147 393 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.244 393 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.244 393 G C 0.713 175.608 174.900 -0.008 0.000 1.005 393 G CA 0.634 45.735 45.100 0.003 0.000 0.713 393 G HN 0.660 nan 8.290 nan 0.000 0.515 394 Q N -0.519 119.283 119.800 0.004 0.000 2.424 394 Q HA 0.557 4.896 4.340 -0.001 0.000 0.204 394 Q C 0.909 176.890 176.000 -0.033 0.000 0.933 394 Q CA 1.338 57.146 55.803 0.009 0.000 0.929 394 Q CB 0.078 28.857 28.738 0.068 0.000 1.037 394 Q HN 1.434 nan 8.270 nan 0.000 0.511 395 A N 0.962 123.720 122.820 -0.104 0.000 2.605 395 A HA 0.476 4.796 4.320 -0.001 0.000 0.294 395 A C -1.642 175.708 177.584 -0.390 0.000 1.062 395 A CA -0.895 50.986 52.037 -0.261 0.000 0.682 395 A CB 1.166 19.953 19.000 -0.356 0.000 1.278 395 A HN 0.313 nan 8.150 nan 0.000 0.410 396 E N 0.670 120.601 120.200 -0.448 0.000 2.288 396 E HA 0.777 5.126 4.350 -0.001 0.000 0.268 396 E C -1.734 174.590 176.600 -0.460 0.000 0.885 396 E CA -0.596 55.603 56.400 -0.336 0.000 0.767 396 E CB 1.875 31.511 29.700 -0.106 0.000 1.220 396 E HN 0.340 nan 8.360 nan 0.000 0.427 397 F N 1.237 121.290 119.950 0.171 0.000 2.492 397 F HA 0.432 4.958 4.527 -0.001 0.000 0.327 397 F C -1.955 173.942 175.800 0.162 0.000 1.079 397 F CA -2.293 55.828 58.000 0.202 0.000 0.967 397 F CB 1.323 40.515 39.000 0.321 0.000 1.169 397 F HN 0.319 nan 8.300 nan 0.000 0.472 398 P HA 0.193 nan 4.420 nan 0.000 0.274 398 P C -0.629 176.813 177.300 0.237 0.000 1.231 398 P CA -0.356 62.873 63.100 0.216 0.000 0.790 398 P CB 0.984 32.779 31.700 0.160 0.000 0.951 399 T N -0.358 114.288 114.554 0.153 0.000 2.928 399 T HA 0.687 5.037 4.350 -0.001 0.000 0.284 399 T C -0.306 174.430 174.700 0.059 0.000 1.008 399 T CA -0.799 61.385 62.100 0.139 0.000 1.057 399 T CB 1.056 69.981 68.868 0.096 0.000 1.018 399 T HN 0.478 nan 8.240 nan 0.000 0.493 400 L N 1.640 122.900 121.223 0.062 0.000 2.505 400 L HA 0.688 5.028 4.340 -0.001 0.000 0.259 400 L C -0.834 176.039 176.870 0.005 0.000 0.952 400 L CA -0.385 54.389 54.840 -0.110 0.000 0.840 400 L CB 2.148 43.899 42.059 -0.513 0.000 1.358 400 L HN 1.129 nan 8.230 nan 0.000 0.409 401 S N 2.472 118.130 115.700 -0.071 0.000 2.627 401 S HA 1.063 5.533 4.470 -0.001 0.000 0.283 401 S C -0.297 174.245 174.600 -0.097 0.000 1.127 401 S CA -0.043 58.176 58.200 0.033 0.000 0.863 401 S CB 2.051 65.225 63.200 -0.044 0.000 1.121 401 S HN 1.761 nan 8.310 nan 0.000 0.479 402 G N 0.959 109.755 108.800 -0.006 0.000 2.331 402 G HA2 0.313 4.273 3.960 -0.001 0.000 0.479 402 G HA3 0.313 4.273 3.960 -0.001 0.000 0.479 402 G C -1.789 173.032 174.900 -0.133 0.000 1.262 402 G CA 0.001 45.002 45.100 -0.164 0.000 1.029 402 G HN 1.325 nan 8.290 nan 0.000 0.487 403 D N -1.666 118.510 120.400 -0.374 0.000 2.585 403 D HA 0.743 5.382 4.640 -0.001 0.000 0.254 403 D C -0.763 175.057 176.300 -0.799 0.000 1.067 403 D CA -1.029 52.772 54.000 -0.332 0.000 1.090 403 D CB 1.205 41.995 40.800 -0.018 0.000 1.408 403 D HN 0.390 nan 8.370 nan 0.000 0.554 404 F N -0.302 119.539 119.950 -0.182 0.000 2.679 404 F HA 0.398 4.924 4.527 -0.002 0.000 0.354 404 F C -0.972 174.687 175.800 -0.235 0.000 1.423 404 F CA -0.622 57.277 58.000 -0.168 0.000 1.141 404 F CB 0.206 39.133 39.000 -0.123 0.000 1.168 404 F HN 0.010 nan 8.300 nan 0.000 0.530 405 F N -0.662 119.476 119.950 0.313 0.000 2.546 405 F HA 0.562 5.088 4.527 -0.001 0.000 0.320 405 F C 0.501 176.555 175.800 0.423 0.000 1.076 405 F CA -1.377 56.868 58.000 0.409 0.000 0.928 405 F CB 1.791 41.016 39.000 0.376 0.000 1.189 405 F HN -0.274 nan 8.300 nan 0.000 0.465 406 T N 2.136 117.057 114.554 0.611 0.000 2.799 406 T HA 0.185 4.534 4.350 -0.001 0.000 0.286 406 T C -0.956 174.196 174.700 0.753 0.000 0.973 406 T CA -0.256 62.268 62.100 0.707 0.000 1.035 406 T CB 0.233 69.377 68.868 0.461 0.000 0.932 406 T HN 0.383 nan 8.240 nan 0.000 0.469 407 Y N 2.992 123.609 120.300 0.529 0.000 2.497 407 Y HA 0.412 4.961 4.550 -0.001 0.000 0.334 407 Y C -0.141 175.780 175.900 0.036 0.000 1.199 407 Y CA -0.878 57.362 58.100 0.235 0.000 1.425 407 Y CB 0.128 38.613 38.460 0.040 0.000 1.291 407 Y HN 0.692 nan 8.280 nan 0.000 0.562 408 A N 5.146 127.430 122.820 -0.893 0.000 2.398 408 A HA 0.358 4.677 4.320 -0.001 0.000 0.301 408 A C -0.177 176.761 177.584 -1.077 0.000 1.041 408 A CA -0.244 51.193 52.037 -1.001 0.000 0.711 408 A CB 0.799 18.997 19.000 -1.337 0.000 1.240 408 A HN 0.802 nan 8.150 nan 0.000 0.420 409 D N 1.414 121.357 120.400 -0.762 0.000 2.327 409 D HA 0.065 4.705 4.640 -0.001 0.000 0.205 409 D C 0.526 176.840 176.300 0.023 0.000 0.989 409 D CA 0.528 54.331 54.000 -0.328 0.000 0.873 409 D CB 0.212 40.924 40.800 -0.146 0.000 0.955 409 D HN 0.737 nan 8.370 nan 0.000 0.515 410 R N -1.268 119.190 120.500 -0.072 0.000 2.709 410 R HA 0.346 4.685 4.340 -0.001 0.000 0.270 410 R C 0.038 176.231 176.300 -0.178 0.000 1.038 410 R CA -0.101 55.810 56.100 -0.315 0.000 0.872 410 R CB 0.532 30.721 30.300 -0.184 0.000 1.259 410 R HN -0.050 nan 8.270 nan 0.000 0.473 411 S N 1.004 116.552 115.700 -0.254 0.000 4.106 411 S HA -0.367 4.103 4.470 -0.001 0.000 0.541 411 S C 0.656 175.331 174.600 0.126 0.000 1.846 411 S CA 1.672 59.870 58.200 -0.005 0.000 4.137 411 S CB -1.498 61.682 63.200 -0.032 0.000 0.892 411 S HN 1.029 nan 8.310 nan 0.000 0.535 412 D N 1.804 122.258 120.400 0.089 0.000 2.388 412 D HA 0.156 4.795 4.640 -0.001 0.000 0.221 412 D C -0.309 176.065 176.300 0.124 0.000 1.133 412 D CA -0.285 53.822 54.000 0.179 0.000 0.831 412 D CB -1.461 39.435 40.800 0.161 0.000 0.962 412 D HN 0.612 nan 8.370 nan 0.000 0.502 413 N N 0.965 119.654 118.700 -0.019 0.000 2.739 413 N HA 0.047 4.786 4.740 -0.001 0.000 0.266 413 N C -0.937 174.572 175.510 -0.001 0.000 1.168 413 N CA -0.280 52.764 53.050 -0.010 0.000 1.055 413 N CB 0.132 38.605 38.487 -0.023 0.000 1.393 413 N HN 0.142 nan 8.380 nan 0.000 0.514 414 Y N 0.295 120.678 120.300 0.139 0.000 2.313 414 Y HA 0.117 4.666 4.550 -0.001 0.000 0.332 414 Y C 0.090 176.183 175.900 0.322 0.000 1.071 414 Y CA -0.702 57.540 58.100 0.236 0.000 1.169 414 Y CB 0.584 39.123 38.460 0.132 0.000 1.192 414 Y HN 0.414 nan 8.280 nan 0.000 0.487 415 W N 2.471 123.885 121.300 0.191 0.000 1.694 415 W HA 0.207 4.866 4.660 -0.001 0.000 0.425 415 W C 0.873 177.402 176.519 0.017 0.000 0.615 415 W CA -0.494 56.997 57.345 0.243 0.000 2.237 415 W CB -0.518 29.211 29.460 0.449 0.000 1.478 415 W HN 0.541 nan 8.180 nan 0.000 0.427 416 S N -2.081 113.618 115.700 -0.000 0.000 2.535 416 S HA 0.116 4.586 4.470 -0.001 0.000 0.214 416 S C 1.968 176.268 174.600 -0.498 0.000 0.980 416 S CA 0.338 58.148 58.200 -0.649 0.000 0.907 416 S CB 0.158 63.331 63.200 -0.044 0.000 0.790 416 S HN 0.351 nan 8.310 nan 0.000 0.510 417 G N 1.954 110.678 108.800 -0.127 0.000 2.408 417 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 417 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 417 G C 1.234 176.111 174.900 -0.038 0.000 1.150 417 G CA 0.825 45.871 45.100 -0.091 0.000 0.776 417 G HN 0.793 nan 8.290 nan 0.000 0.542 418 Y N -0.505 119.770 120.300 -0.041 0.000 2.632 418 Y HA 0.182 4.731 4.550 -0.001 0.000 0.301 418 Y C 1.742 177.779 175.900 0.228 0.000 1.172 418 Y CA -0.433 57.726 58.100 0.099 0.000 1.328 418 Y CB -0.326 38.272 38.460 0.230 0.000 1.016 418 Y HN 0.172 nan 8.280 nan 0.000 0.529 419 Y N 0.523 120.611 120.300 -0.353 0.000 2.509 419 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 419 Y C 1.729 177.583 175.900 -0.077 0.000 1.133 419 Y CA 0.616 58.540 58.100 -0.293 0.000 1.283 419 Y CB -0.687 37.642 38.460 -0.217 0.000 1.001 419 Y HN 0.295 nan 8.280 nan 0.000 0.555 420 T N -2.623 112.002 114.554 0.118 0.000 2.964 420 T HA 0.080 4.429 4.350 -0.001 0.000 0.250 420 T C 0.731 175.517 174.700 0.144 0.000 0.982 420 T CA -0.057 62.110 62.100 0.113 0.000 0.959 420 T CB 0.003 68.906 68.868 0.059 0.000 1.141 420 T HN -0.056 nan 8.240 nan 0.000 0.494 421 S N 2.516 118.300 115.700 0.139 0.000 2.573 421 S HA 0.152 4.621 4.470 -0.001 0.000 0.297 421 S C 0.439 175.173 174.600 0.223 0.000 1.280 421 S CA -0.019 58.275 58.200 0.156 0.000 1.061 421 S CB 0.069 63.346 63.200 0.129 0.000 0.812 421 S HN 0.400 nan 8.310 nan 0.000 0.500 422 R N 0.924 121.570 120.500 0.244 0.000 3.205 422 R HA -0.128 4.211 4.340 -0.001 0.000 0.249 422 R C -1.841 174.702 176.300 0.406 0.000 0.937 422 R CA 0.709 57.028 56.100 0.365 0.000 0.641 422 R CB -1.860 28.686 30.300 0.411 0.000 1.114 422 R HN 0.529 nan 8.270 nan 0.000 0.451 423 P HA -0.243 nan 4.420 nan 0.000 0.220 423 P C 1.127 178.624 177.300 0.328 0.000 1.148 423 P CA 1.091 64.402 63.100 0.351 0.000 0.803 423 P CB -0.024 31.927 31.700 0.418 0.000 0.782 424 Y N 1.371 121.747 120.300 0.126 0.000 2.128 424 Y HA -0.252 4.297 4.550 -0.001 0.000 0.284 424 Y C 2.376 178.205 175.900 -0.118 0.000 1.154 424 Y CA 2.067 60.152 58.100 -0.025 0.000 1.149 424 Y CB -0.982 37.347 38.460 -0.217 0.000 0.976 424 Y HN 0.053 nan 8.280 nan 0.000 0.505 425 H N -0.738 118.574 119.070 0.403 0.000 2.428 425 H HA -0.011 4.544 4.556 -0.001 0.000 0.296 425 H C 2.074 177.522 175.328 0.199 0.000 1.062 425 H CA 1.404 57.589 56.048 0.227 0.000 1.350 425 H CB -0.092 29.868 29.762 0.330 0.000 1.403 425 H HN 0.245 nan 8.280 nan 0.000 0.533 426 K N 0.299 120.895 120.400 0.326 0.000 2.097 426 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 426 K C 2.251 178.895 176.600 0.074 0.000 1.049 426 K CA 1.212 57.645 56.287 0.244 0.000 0.933 426 K CB 0.074 32.701 32.500 0.211 0.000 0.717 426 K HN 0.041 nan 8.250 nan 0.000 0.442 427 R N 1.300 121.806 120.500 0.011 0.000 2.090 427 R HA 0.010 4.349 4.340 -0.001 0.000 0.228 427 R C 2.026 178.067 176.300 -0.430 0.000 1.110 427 R CA 1.338 57.379 56.100 -0.099 0.000 0.973 427 R CB -0.378 29.947 30.300 0.041 0.000 0.869 427 R HN 0.143 nan 8.270 nan 0.000 0.440 428 M N 0.333 119.536 119.600 -0.661 0.000 2.149 428 M HA -0.199 4.280 4.480 -0.001 0.000 0.261 428 M C 1.427 177.350 176.300 -0.629 0.000 1.064 428 M CA 2.416 57.059 55.300 -1.097 0.000 1.102 428 M CB -0.316 31.781 32.600 -0.838 0.000 1.369 428 M HN 0.292 nan 8.290 nan 0.000 0.408 429 D N -0.259 119.975 120.400 -0.277 0.000 2.133 429 D HA -0.218 4.421 4.640 -0.001 0.000 0.195 429 D C 1.877 178.088 176.300 -0.149 0.000 0.997 429 D CA 1.465 55.417 54.000 -0.080 0.000 0.840 429 D CB 0.124 41.046 40.800 0.203 0.000 0.947 429 D HN 0.239 nan 8.370 nan 0.000 0.452 430 R N -0.015 120.381 120.500 -0.173 0.000 2.119 430 R HA 0.020 4.359 4.340 -0.001 0.000 0.222 430 R C 2.405 178.591 176.300 -0.191 0.000 1.088 430 R CA 0.362 56.372 56.100 -0.151 0.000 0.984 430 R CB -0.804 29.429 30.300 -0.111 0.000 0.884 430 R HN 0.261 nan 8.270 nan 0.000 0.447 431 V N 1.556 121.256 119.914 -0.358 0.000 2.307 431 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 431 V C 2.336 178.248 176.094 -0.303 0.000 1.045 431 V CA 1.430 63.501 62.300 -0.382 0.000 1.024 431 V CB -0.517 30.777 31.823 -0.883 0.000 0.651 431 V HN 0.134 nan 8.190 nan 0.000 0.449 432 L N -0.385 120.593 121.223 -0.408 0.000 2.093 432 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 432 L C 2.304 179.105 176.870 -0.116 0.000 1.085 432 L CA 1.987 56.653 54.840 -0.291 0.000 0.755 432 L CB -0.629 41.250 42.059 -0.300 0.000 0.904 432 L HN 0.324 nan 8.230 nan 0.000 0.435 433 M N -1.200 118.329 119.600 -0.118 0.000 2.089 433 M HA -0.338 4.141 4.480 -0.001 0.000 0.257 433 M C 2.377 178.637 176.300 -0.067 0.000 1.071 433 M CA 2.454 57.688 55.300 -0.109 0.000 1.096 433 M CB -0.415 32.089 32.600 -0.160 0.000 1.330 433 M HN 0.571 nan 8.290 nan 0.000 0.403 434 H N -0.745 118.284 119.070 -0.069 0.000 2.357 434 H HA -0.158 4.397 4.556 -0.001 0.000 0.301 434 H C 1.497 176.868 175.328 0.072 0.000 1.082 434 H CA 2.360 58.401 56.048 -0.012 0.000 1.342 434 H CB -0.395 29.372 29.762 0.009 0.000 1.389 434 H HN 0.476 nan 8.280 nan 0.000 0.511 435 Y N -0.334 119.825 120.300 -0.236 0.000 2.181 435 Y HA -0.186 4.363 4.550 -0.001 0.000 0.288 435 Y C 2.777 178.551 175.900 -0.209 0.000 1.146 435 Y CA 1.362 59.330 58.100 -0.221 0.000 1.164 435 Y CB -0.647 37.742 38.460 -0.118 0.000 0.982 435 Y HN 0.118 nan 8.280 nan 0.000 0.515 436 V N 0.126 120.028 119.914 -0.019 0.000 2.343 436 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 436 V C 2.520 178.549 176.094 -0.108 0.000 1.051 436 V CA 2.151 64.411 62.300 -0.067 0.000 1.036 436 V CB -0.589 31.187 31.823 -0.079 0.000 0.654 436 V HN 0.322 nan 8.190 nan 0.000 0.451 437 R N 0.450 120.863 120.500 -0.145 0.000 2.083 437 R HA -0.187 4.153 4.340 -0.001 0.000 0.237 437 R C 2.261 178.488 176.300 -0.122 0.000 1.137 437 R CA 1.935 57.956 56.100 -0.132 0.000 0.951 437 R CB -0.509 29.714 30.300 -0.130 0.000 0.851 437 R HN 0.455 nan 8.270 nan 0.000 0.434 438 A N 0.670 123.357 122.820 -0.222 0.000 1.902 438 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 438 A C 2.375 179.905 177.584 -0.089 0.000 1.181 438 A CA 1.638 53.607 52.037 -0.114 0.000 0.623 438 A CB -0.734 18.111 19.000 -0.258 0.000 0.818 438 A HN 0.583 nan 8.150 nan 0.000 0.443 439 A N -0.263 122.493 122.820 -0.106 0.000 1.898 439 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 439 A C 1.942 179.471 177.584 -0.092 0.000 1.181 439 A CA 1.510 53.495 52.037 -0.087 0.000 0.620 439 A CB -0.465 18.493 19.000 -0.071 0.000 0.819 439 A HN 0.616 nan 8.150 nan 0.000 0.442 440 E N -0.971 119.174 120.200 -0.092 0.000 2.072 440 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 440 E C 2.061 178.594 176.600 -0.112 0.000 0.985 440 E CA 1.306 57.645 56.400 -0.102 0.000 0.801 440 E CB -0.245 29.397 29.700 -0.096 0.000 0.750 440 E HN 0.739 nan 8.360 nan 0.000 0.452 441 M N 0.762 120.315 119.600 -0.078 0.000 2.099 441 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 441 M C 2.174 178.460 176.300 -0.023 0.000 1.067 441 M CA 1.302 56.554 55.300 -0.080 0.000 1.124 441 M CB 0.033 32.678 32.600 0.074 0.000 1.353 441 M HN 0.080 nan 8.290 nan 0.000 0.410 442 L N 0.061 121.320 121.223 0.060 0.000 2.079 442 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 442 L C 2.576 179.586 176.870 0.233 0.000 1.081 442 L CA 1.782 56.709 54.840 0.145 0.000 0.752 442 L CB -0.521 41.476 42.059 -0.103 0.000 0.896 442 L HN 0.517 nan 8.230 nan 0.000 0.433 443 S N -1.240 114.519 115.700 0.100 0.000 2.528 443 S HA 0.101 4.570 4.470 -0.001 0.000 0.219 443 S C 1.962 176.720 174.600 0.264 0.000 0.985 443 S CA 0.330 58.662 58.200 0.220 0.000 0.914 443 S CB 0.092 63.224 63.200 -0.114 0.000 0.776 443 S HN 0.288 nan 8.310 nan 0.000 0.526 444 A N 0.986 123.792 122.820 -0.025 0.000 2.015 444 A HA 0.072 4.391 4.320 -0.001 0.000 0.219 444 A C 1.679 179.153 177.584 -0.183 0.000 1.163 444 A CA 0.799 52.727 52.037 -0.182 0.000 0.646 444 A CB -1.206 17.537 19.000 -0.429 0.000 0.806 444 A HN 0.755 nan 8.150 nan 0.000 0.448 445 W N -0.736 120.571 121.300 0.012 0.000 2.421 445 W HA -0.025 4.634 4.660 -0.001 0.000 0.270 445 W C 0.914 177.221 176.519 -0.354 0.000 1.233 445 W CA 1.113 58.371 57.345 -0.145 0.000 1.226 445 W CB -0.141 29.197 29.460 -0.203 0.000 1.121 445 W HN 0.414 nan 8.180 nan 0.000 0.579 446 H N -2.789 116.341 119.070 0.099 0.000 2.894 446 H HA 0.342 4.897 4.556 -0.001 0.000 0.368 446 H C -0.516 174.711 175.328 -0.168 0.000 1.181 446 H CA -0.974 54.982 56.048 -0.153 0.000 1.146 446 H CB 1.742 31.188 29.762 -0.525 0.000 1.839 446 H HN -0.435 nan 8.280 nan 0.000 0.557 447 S N 0.784 116.438 115.700 -0.075 0.000 2.525 447 S HA 0.340 4.809 4.470 -0.001 0.000 0.278 447 S C -1.383 173.094 174.600 -0.206 0.000 1.234 447 S CA -0.658 57.521 58.200 -0.036 0.000 1.058 447 S CB 0.231 63.422 63.200 -0.014 0.000 0.983 447 S HN 0.409 nan 8.310 nan 0.000 0.495 448 W N 2.398 123.691 121.300 -0.012 0.000 2.666 448 W HA 0.378 5.038 4.660 -0.001 0.000 0.334 448 W C 0.223 176.698 176.519 -0.073 0.000 1.051 448 W CA -0.816 56.495 57.345 -0.057 0.000 1.224 448 W CB 0.649 30.038 29.460 -0.118 0.000 1.405 448 W HN 0.611 nan 8.180 nan 0.000 0.513 449 D N 1.036 121.504 120.400 0.114 0.000 2.443 449 D HA -0.002 4.637 4.640 -0.001 0.000 0.239 449 D C 1.415 177.729 176.300 0.023 0.000 1.136 449 D CA 0.837 54.881 54.000 0.072 0.000 0.879 449 D CB 1.665 42.543 40.800 0.130 0.000 1.195 449 D HN 0.668 nan 8.370 nan 0.000 0.443 450 G N 3.592 112.412 108.800 0.034 0.000 2.450 450 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.220 450 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.220 450 G C 1.556 176.449 174.900 -0.010 0.000 1.130 450 G CA 0.394 45.502 45.100 0.014 0.000 0.760 450 G HN 0.550 nan 8.290 nan 0.000 0.557 451 M N 0.963 120.577 119.600 0.023 0.000 2.446 451 M HA 0.027 4.506 4.480 -0.001 0.000 0.263 451 M C 2.723 178.984 176.300 -0.065 0.000 1.066 451 M CA 1.068 56.410 55.300 0.070 0.000 1.087 451 M CB -0.480 32.255 32.600 0.226 0.000 1.406 451 M HN 0.324 nan 8.290 nan 0.000 0.459 452 A N 0.172 122.729 122.820 -0.438 0.000 2.206 452 A HA -0.002 4.317 4.320 -0.001 0.000 0.211 452 A C 1.206 178.598 177.584 -0.321 0.000 1.158 452 A CA 0.136 51.676 52.037 -0.830 0.000 0.761 452 A CB -0.397 17.947 19.000 -1.093 0.000 0.801 452 A HN 0.575 nan 8.150 nan 0.000 0.473 453 R N -1.236 119.159 120.500 -0.175 0.000 3.610 453 R HA -0.203 4.136 4.340 -0.001 0.000 0.274 453 R C 0.735 176.941 176.300 -0.158 0.000 1.123 453 R CA 0.738 56.772 56.100 -0.110 0.000 0.747 453 R CB -1.949 28.318 30.300 -0.055 0.000 1.149 453 R HN 0.486 nan 8.270 nan 0.000 0.471 454 I N 0.493 120.920 120.570 -0.238 0.000 2.142 454 I HA -0.216 3.953 4.170 -0.001 0.000 0.240 454 I C 2.152 178.155 176.117 -0.190 0.000 1.078 454 I CA 1.732 62.840 61.300 -0.319 0.000 1.343 454 I CB -0.708 36.966 38.000 -0.544 0.000 1.046 454 I HN 0.229 nan 8.210 nan 0.000 0.405 455 E N 0.731 120.858 120.200 -0.122 0.000 2.085 455 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 455 E C 2.108 178.667 176.600 -0.068 0.000 0.994 455 E CA 1.444 57.798 56.400 -0.077 0.000 0.801 455 E CB -0.250 29.427 29.700 -0.037 0.000 0.743 455 E HN 0.474 nan 8.360 nan 0.000 0.453 456 E N 0.353 120.517 120.200 -0.061 0.000 2.038 456 E HA -0.261 4.089 4.350 -0.001 0.000 0.195 456 E C 2.013 178.579 176.600 -0.058 0.000 1.000 456 E CA 1.114 57.486 56.400 -0.046 0.000 0.803 456 E CB 0.083 29.761 29.700 -0.037 0.000 0.750 456 E HN -0.024 nan 8.360 nan 0.000 0.448 457 R N 0.326 120.780 120.500 -0.075 0.000 2.081 457 R HA -0.033 4.307 4.340 -0.001 0.000 0.235 457 R C 2.412 178.665 176.300 -0.080 0.000 1.131 457 R CA 0.992 57.049 56.100 -0.073 0.000 0.960 457 R CB -0.538 29.712 30.300 -0.084 0.000 0.856 457 R HN 0.279 nan 8.270 nan 0.000 0.436 458 L N -0.111 121.053 121.223 -0.098 0.000 2.141 458 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 458 L C 2.355 179.167 176.870 -0.096 0.000 1.094 458 L CA 1.402 56.184 54.840 -0.098 0.000 0.763 458 L CB -0.396 41.598 42.059 -0.108 0.000 0.908 458 L HN 0.305 nan 8.230 nan 0.000 0.437 459 E N 0.138 120.285 120.200 -0.088 0.000 2.072 459 E HA -0.288 4.061 4.350 -0.001 0.000 0.191 459 E C 2.225 178.754 176.600 -0.118 0.000 0.985 459 E CA 1.131 57.470 56.400 -0.101 0.000 0.801 459 E CB 0.025 29.687 29.700 -0.063 0.000 0.750 459 E HN 0.429 nan 8.360 nan 0.000 0.452 460 Q N -0.010 119.740 119.800 -0.084 0.000 2.084 460 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 460 Q C 2.043 177.993 176.000 -0.084 0.000 0.978 460 Q CA 1.537 57.297 55.803 -0.072 0.000 0.844 460 Q CB -0.185 28.526 28.738 -0.045 0.000 0.898 460 Q HN 0.337 nan 8.270 nan 0.000 0.426 461 A N 1.145 123.915 122.820 -0.082 0.000 1.873 461 A HA -0.174 4.145 4.320 -0.001 0.000 0.215 461 A C 2.094 179.616 177.584 -0.104 0.000 1.186 461 A CA 1.392 53.382 52.037 -0.079 0.000 0.616 461 A CB -0.497 18.465 19.000 -0.065 0.000 0.823 461 A HN 0.367 nan 8.150 nan 0.000 0.442 462 R N -0.655 119.765 120.500 -0.134 0.000 2.091 462 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 462 R C 2.422 178.570 176.300 -0.254 0.000 1.136 462 R CA 1.661 57.656 56.100 -0.174 0.000 0.959 462 R CB -0.321 29.866 30.300 -0.189 0.000 0.856 462 R HN 0.495 nan 8.270 nan 0.000 0.437 463 R N 0.369 120.681 120.500 -0.312 0.000 2.115 463 R HA -0.070 4.269 4.340 -0.001 0.000 0.230 463 R C 2.045 178.270 176.300 -0.126 0.000 1.111 463 R CA 0.941 56.788 56.100 -0.422 0.000 0.976 463 R CB 0.007 30.070 30.300 -0.395 0.000 0.870 463 R HN 0.243 nan 8.270 nan 0.000 0.445 464 E N 0.655 120.817 120.200 -0.063 0.000 2.158 464 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 464 E C 1.944 178.570 176.600 0.044 0.000 0.982 464 E CA 0.609 57.019 56.400 0.017 0.000 0.823 464 E CB -0.088 29.613 29.700 0.002 0.000 0.766 464 E HN 0.156 nan 8.360 nan 0.000 0.468 465 L N 1.230 122.448 121.223 -0.009 0.000 2.072 465 L HA -0.047 4.292 4.340 -0.001 0.000 0.205 465 L C 2.146 179.057 176.870 0.069 0.000 1.079 465 L CA 1.507 56.361 54.840 0.023 0.000 0.752 465 L CB -0.515 41.523 42.059 -0.035 0.000 0.906 465 L HN -0.116 nan 8.230 nan 0.000 0.436 466 S N -0.340 115.364 115.700 0.007 0.000 2.368 466 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 466 S C 1.847 176.585 174.600 0.230 0.000 1.030 466 S CA 1.610 59.847 58.200 0.061 0.000 0.999 466 S CB -0.578 62.541 63.200 -0.135 0.000 0.844 466 S HN 0.467 nan 8.310 nan 0.000 0.459 467 L N 0.517 121.912 121.223 0.288 0.000 2.083 467 L HA 0.022 4.361 4.340 -0.001 0.000 0.209 467 L C 1.846 178.832 176.870 0.193 0.000 1.083 467 L CA 1.549 56.566 54.840 0.296 0.000 0.752 467 L CB -0.501 41.699 42.059 0.235 0.000 0.899 467 L HN 0.279 nan 8.230 nan 0.000 0.433 468 F N -0.378 119.558 119.950 -0.023 0.000 2.502 468 F HA -0.085 4.441 4.527 -0.001 0.000 0.298 468 F C 2.163 177.894 175.800 -0.115 0.000 1.111 468 F CA 0.740 58.621 58.000 -0.198 0.000 1.445 468 F CB -0.193 38.718 39.000 -0.149 0.000 1.081 468 F HN 0.221 nan 8.300 nan 0.000 0.558 469 Q N -0.326 119.439 119.800 -0.058 0.000 2.437 469 Q HA -0.151 4.188 4.340 -0.001 0.000 0.210 469 Q C 0.512 176.455 176.000 -0.096 0.000 0.972 469 Q CA 0.472 56.216 55.803 -0.098 0.000 0.903 469 Q CB -1.349 27.404 28.738 0.024 0.000 0.967 469 Q HN 0.489 nan 8.270 nan 0.000 0.486 470 H N 2.088 121.055 119.070 -0.171 0.000 3.073 470 H HA -0.112 4.443 4.556 -0.001 0.000 0.340 470 H C 1.329 176.519 175.328 -0.229 0.000 1.054 470 H CA 0.635 56.587 56.048 -0.160 0.000 1.372 470 H CB 0.559 30.244 29.762 -0.128 0.000 1.314 470 H HN 0.240 nan 8.280 nan 0.000 0.603 471 H N 2.111 120.767 119.070 -0.690 0.000 2.567 471 H HA -0.038 4.518 4.556 -0.001 0.000 0.276 471 H C -0.324 174.609 175.328 -0.659 0.000 1.016 471 H CA 0.883 56.503 56.048 -0.713 0.000 1.186 471 H CB 0.243 29.566 29.762 -0.732 0.000 1.351 471 H HN 0.615 nan 8.280 nan 0.000 0.605 472 D N 0.063 119.854 120.400 -1.016 0.000 2.527 472 D HA 0.128 4.767 4.640 -0.001 0.000 0.224 472 D C 1.636 177.900 176.300 -0.059 0.000 1.217 472 D CA 0.359 54.231 54.000 -0.213 0.000 0.819 472 D CB 0.802 41.703 40.800 0.168 0.000 1.061 472 D HN 0.504 nan 8.370 nan 0.000 0.515 473 G N 1.344 109.897 108.800 -0.412 0.000 2.618 473 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.222 473 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.222 473 G C 1.367 175.668 174.900 -0.999 0.000 1.520 473 G CA -0.185 44.414 45.100 -0.833 0.000 0.930 473 G HN 0.190 nan 8.290 nan 0.000 0.547 474 I N 1.991 121.668 120.570 -1.489 0.000 2.399 474 I HA -0.209 3.960 4.170 -0.001 0.000 0.254 474 I C 2.930 178.953 176.117 -0.156 0.000 1.146 474 I CA 2.100 62.854 61.300 -0.910 0.000 1.412 474 I CB -0.069 37.581 38.000 -0.584 0.000 1.076 474 I HN 0.391 nan 8.210 nan 0.000 0.432 475 T N -1.601 112.907 114.554 -0.076 0.000 2.929 475 T HA -0.010 4.339 4.350 -0.001 0.000 0.271 475 T C 1.559 176.405 174.700 0.244 0.000 1.085 475 T CA 0.714 62.959 62.100 0.242 0.000 1.125 475 T CB -0.586 68.425 68.868 0.240 0.000 0.874 475 T HN 0.650 nan 8.240 nan 0.000 0.494 476 G N 1.366 110.265 108.800 0.165 0.000 2.176 476 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.252 476 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.252 476 G C 0.562 175.533 174.900 0.117 0.000 1.024 476 G CA 0.663 45.880 45.100 0.195 0.000 0.755 476 G HN 1.159 nan 8.290 nan 0.000 0.507 477 T N -3.314 111.303 114.554 0.105 0.000 3.215 477 T HA 0.739 5.088 4.350 -0.001 0.000 0.271 477 T C 0.924 175.807 174.700 0.304 0.000 1.012 477 T CA 1.059 63.151 62.100 -0.014 0.000 0.899 477 T CB 0.950 69.643 68.868 -0.292 0.000 1.089 477 T HN 1.559 nan 8.240 nan 0.000 0.552 478 A N 1.302 124.316 122.820 0.323 0.000 2.256 478 A HA 0.705 5.024 4.320 -0.001 0.000 0.318 478 A C 0.145 177.810 177.584 0.135 0.000 1.103 478 A CA -0.954 51.301 52.037 0.362 0.000 0.860 478 A CB 0.842 20.103 19.000 0.436 0.000 1.182 478 A HN 0.418 nan 8.150 nan 0.000 0.501 479 K N -0.276 120.126 120.400 0.004 0.000 2.219 479 K HA 0.208 4.528 4.320 -0.001 0.000 0.258 479 K C 1.104 177.698 176.600 -0.010 0.000 1.008 479 K CA 0.300 56.569 56.287 -0.029 0.000 0.928 479 K CB 0.425 32.882 32.500 -0.072 0.000 0.983 479 K HN 0.725 nan 8.250 nan 0.000 0.484 480 T N 1.339 115.917 114.554 0.040 0.000 2.649 480 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 480 T C 1.671 176.404 174.700 0.054 0.000 1.036 480 T CA 1.953 64.086 62.100 0.055 0.000 1.157 480 T CB -0.475 68.435 68.868 0.071 0.000 0.861 480 T HN 0.718 nan 8.240 nan 0.000 0.445 481 H N 0.521 119.581 119.070 -0.017 0.000 2.495 481 H HA 0.099 4.654 4.556 -0.001 0.000 0.287 481 H C 1.982 177.281 175.328 -0.050 0.000 1.033 481 H CA 0.893 56.924 56.048 -0.028 0.000 1.307 481 H CB -0.624 29.117 29.762 -0.035 0.000 1.401 481 H HN 0.291 nan 8.280 nan 0.000 0.555 482 V N 1.094 120.720 119.914 -0.481 0.000 2.488 482 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 482 V C 2.989 178.926 176.094 -0.263 0.000 1.046 482 V CA 1.006 63.029 62.300 -0.462 0.000 1.053 482 V CB -0.326 31.269 31.823 -0.379 0.000 0.679 482 V HN 0.230 nan 8.190 nan 0.000 0.458 483 V N 0.025 119.913 119.914 -0.044 0.000 2.392 483 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 483 V C 2.467 178.543 176.094 -0.030 0.000 1.059 483 V CA 1.882 64.210 62.300 0.048 0.000 1.051 483 V CB -0.513 31.281 31.823 -0.049 0.000 0.658 483 V HN 0.413 nan 8.190 nan 0.000 0.455 484 V N 0.440 120.340 119.914 -0.024 0.000 2.343 484 V HA -0.315 3.804 4.120 -0.001 0.000 0.247 484 V C 2.320 178.425 176.094 0.019 0.000 1.051 484 V CA 2.494 64.807 62.300 0.021 0.000 1.036 484 V CB -0.677 31.172 31.823 0.043 0.000 0.654 484 V HN 0.647 nan 8.190 nan 0.000 0.451 485 D N -1.073 119.297 120.400 -0.051 0.000 2.097 485 D HA -0.203 4.437 4.640 -0.001 0.000 0.195 485 D C 1.994 178.296 176.300 0.003 0.000 0.989 485 D CA 1.501 55.464 54.000 -0.061 0.000 0.827 485 D CB -0.180 40.522 40.800 -0.162 0.000 0.966 485 D HN 0.506 nan 8.370 nan 0.000 0.456 486 Y N 0.952 121.292 120.300 0.067 0.000 2.224 486 Y HA -0.056 4.493 4.550 -0.001 0.000 0.289 486 Y C 2.414 178.292 175.900 -0.038 0.000 1.146 486 Y CA 1.251 59.391 58.100 0.066 0.000 1.182 486 Y CB -0.683 37.891 38.460 0.190 0.000 0.983 486 Y HN 0.159 nan 8.280 nan 0.000 0.524 487 E N 0.133 120.433 120.200 0.167 0.000 2.072 487 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 487 E C 1.973 178.644 176.600 0.119 0.000 0.985 487 E CA 1.267 57.774 56.400 0.177 0.000 0.801 487 E CB -0.048 29.836 29.700 0.307 0.000 0.750 487 E HN 0.567 nan 8.360 nan 0.000 0.452 488 Q N -0.030 119.828 119.800 0.098 0.000 2.084 488 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 488 Q C 2.322 178.355 176.000 0.055 0.000 0.978 488 Q CA 1.373 57.218 55.803 0.071 0.000 0.844 488 Q CB -0.044 28.728 28.738 0.056 0.000 0.898 488 Q HN 0.194 nan 8.270 nan 0.000 0.426 489 R N 0.056 120.593 120.500 0.061 0.000 2.073 489 R HA -0.071 4.268 4.340 -0.001 0.000 0.234 489 R C 2.296 178.605 176.300 0.014 0.000 1.134 489 R CA 1.512 57.640 56.100 0.047 0.000 0.952 489 R CB -0.178 30.173 30.300 0.085 0.000 0.850 489 R HN 0.287 nan 8.270 nan 0.000 0.433 490 M N 0.087 119.680 119.600 -0.010 0.000 2.159 490 M HA -0.188 4.291 4.480 -0.001 0.000 0.263 490 M C 2.334 178.600 176.300 -0.057 0.000 1.063 490 M CA 1.394 56.648 55.300 -0.077 0.000 1.110 490 M CB -0.201 32.288 32.600 -0.184 0.000 1.374 490 M HN 0.055 nan 8.290 nan 0.000 0.411 491 Q N 1.063 120.866 119.800 0.005 0.000 2.096 491 Q HA -0.184 4.155 4.340 -0.001 0.000 0.204 491 Q C 1.740 177.745 176.000 0.007 0.000 0.982 491 Q CA 1.715 57.535 55.803 0.028 0.000 0.850 491 Q CB -0.127 28.652 28.738 0.068 0.000 0.901 491 Q HN 0.369 nan 8.270 nan 0.000 0.422 492 E N -0.251 119.954 120.200 0.008 0.000 2.106 492 E HA -0.121 4.229 4.350 -0.001 0.000 0.192 492 E C 1.834 178.428 176.600 -0.012 0.000 0.984 492 E CA 1.045 57.447 56.400 0.003 0.000 0.806 492 E CB -0.417 29.287 29.700 0.007 0.000 0.750 492 E HN 0.471 nan 8.360 nan 0.000 0.458 493 A N 1.391 124.194 122.820 -0.029 0.000 1.877 493 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 493 A C 2.401 179.960 177.584 -0.041 0.000 1.186 493 A CA 1.134 53.145 52.037 -0.043 0.000 0.620 493 A CB -0.771 18.190 19.000 -0.065 0.000 0.822 493 A HN 0.179 nan 8.150 nan 0.000 0.443 494 L N -0.618 120.559 121.223 -0.076 0.000 2.042 494 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 494 L C 2.597 179.490 176.870 0.039 0.000 1.076 494 L CA 1.855 56.645 54.840 -0.083 0.000 0.749 494 L CB -0.475 41.462 42.059 -0.204 0.000 0.893 494 L HN 0.368 nan 8.230 nan 0.000 0.432 495 K N -0.073 120.342 120.400 0.025 0.000 2.097 495 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 495 K C 2.208 178.830 176.600 0.037 0.000 1.049 495 K CA 1.362 57.674 56.287 0.041 0.000 0.933 495 K CB -0.247 32.267 32.500 0.023 0.000 0.717 495 K HN 0.316 nan 8.250 nan 0.000 0.442 496 A N 1.043 123.873 122.820 0.017 0.000 1.898 496 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 496 A C 2.434 180.022 177.584 0.007 0.000 1.181 496 A CA 1.259 53.295 52.037 -0.001 0.000 0.620 496 A CB -0.891 18.096 19.000 -0.022 0.000 0.819 496 A HN 0.381 nan 8.150 nan 0.000 0.442 497 C N -0.924 118.400 119.300 0.040 0.000 2.413 497 C HA -0.149 4.310 4.460 -0.001 0.000 0.276 497 C C 2.866 177.905 174.990 0.082 0.000 1.236 497 C CA 1.354 60.410 59.018 0.062 0.000 1.735 497 C CB -1.283 26.554 27.740 0.161 0.000 2.031 497 C HN 0.785 nan 8.230 nan 0.000 0.474 498 Q N 0.113 119.996 119.800 0.138 0.000 2.061 498 Q HA -0.295 4.044 4.340 -0.001 0.000 0.204 498 Q C 2.159 178.230 176.000 0.118 0.000 0.984 498 Q CA 2.178 58.064 55.803 0.138 0.000 0.846 498 Q CB -0.273 28.555 28.738 0.150 0.000 0.902 498 Q HN 0.598 nan 8.270 nan 0.000 0.421 499 M N -0.150 119.492 119.600 0.069 0.000 2.065 499 M HA -0.142 4.337 4.480 -0.001 0.000 0.259 499 M C 1.877 178.188 176.300 0.018 0.000 1.069 499 M CA 1.622 56.951 55.300 0.048 0.000 1.110 499 M CB -0.550 32.060 32.600 0.015 0.000 1.328 499 M HN 0.139 nan 8.290 nan 0.000 0.405 500 V N 0.388 120.273 119.914 -0.048 0.000 2.295 500 V HA -0.322 3.797 4.120 -0.001 0.000 0.246 500 V C 2.453 178.490 176.094 -0.095 0.000 1.049 500 V CA 2.303 64.513 62.300 -0.151 0.000 1.024 500 V CB -0.825 30.886 31.823 -0.187 0.000 0.648 500 V HN 0.566 nan 8.190 nan 0.000 0.447 501 M N 0.365 119.966 119.600 0.003 0.000 2.080 501 M HA -0.275 4.204 4.480 -0.001 0.000 0.260 501 M C 2.407 178.726 176.300 0.032 0.000 1.068 501 M CA 2.499 57.834 55.300 0.058 0.000 1.109 501 M CB -0.552 32.198 32.600 0.249 0.000 1.342 501 M HN 0.554 nan 8.290 nan 0.000 0.405 502 Q N -0.093 119.817 119.800 0.182 0.000 2.123 502 Q HA -0.135 4.204 4.340 -0.001 0.000 0.199 502 Q C 1.830 177.985 176.000 0.258 0.000 0.966 502 Q CA 1.200 57.127 55.803 0.207 0.000 0.845 502 Q CB -0.648 28.329 28.738 0.399 0.000 0.907 502 Q HN 0.413 nan 8.270 nan 0.000 0.439 503 Q N 0.580 120.522 119.800 0.238 0.000 2.124 503 Q HA -0.064 4.276 4.340 -0.001 0.000 0.202 503 Q C 2.280 178.507 176.000 0.378 0.000 0.977 503 Q CA 1.729 57.744 55.803 0.353 0.000 0.850 503 Q CB -0.221 28.637 28.738 0.200 0.000 0.901 503 Q HN 0.526 nan 8.270 nan 0.000 0.429 504 S N 0.354 116.158 115.700 0.173 0.000 2.368 504 S HA -0.087 4.382 4.470 -0.001 0.000 0.224 504 S C 2.224 176.851 174.600 0.044 0.000 1.029 504 S CA 1.051 59.402 58.200 0.251 0.000 0.988 504 S CB -0.252 63.024 63.200 0.128 0.000 0.838 504 S HN 0.127 nan 8.310 nan 0.000 0.462 505 V N 0.872 120.676 119.914 -0.182 0.000 2.287 505 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 505 V C 2.034 178.087 176.094 -0.069 0.000 1.053 505 V CA 1.913 63.982 62.300 -0.385 0.000 1.027 505 V CB -0.779 30.401 31.823 -1.072 0.000 0.646 505 V HN 0.546 nan 8.190 nan 0.000 0.447 506 Y N 1.203 121.530 120.300 0.045 0.000 2.207 506 Y HA -0.242 4.308 4.550 -0.001 0.000 0.287 506 Y C 2.725 178.721 175.900 0.160 0.000 1.156 506 Y CA 2.192 60.419 58.100 0.211 0.000 1.182 506 Y CB -0.327 38.198 38.460 0.109 0.000 0.979 506 Y HN 0.101 nan 8.280 nan 0.000 0.521 507 R N -0.235 120.215 120.500 -0.083 0.000 2.090 507 R HA -0.065 4.274 4.340 -0.001 0.000 0.228 507 R C 2.097 178.118 176.300 -0.465 0.000 1.110 507 R CA 1.354 57.076 56.100 -0.630 0.000 0.973 507 R CB -0.308 29.633 30.300 -0.597 0.000 0.869 507 R HN 0.439 nan 8.270 nan 0.000 0.440 508 L N 0.309 121.377 121.223 -0.258 0.000 2.291 508 L HA -0.049 4.290 4.340 -0.001 0.000 0.214 508 L C 1.296 178.048 176.870 -0.197 0.000 1.120 508 L CA 0.776 55.410 54.840 -0.344 0.000 0.799 508 L CB 0.145 41.822 42.059 -0.637 0.000 0.925 508 L HN 0.220 nan 8.230 nan 0.000 0.446 509 L N -1.147 120.067 121.223 -0.015 0.000 3.066 509 L HA 0.233 4.572 4.340 -0.001 0.000 0.265 509 L C -0.279 176.707 176.870 0.193 0.000 1.232 509 L CA -0.108 54.827 54.840 0.158 0.000 1.031 509 L CB 0.518 42.828 42.059 0.418 0.000 1.379 509 L HN -0.022 nan 8.230 nan 0.000 0.563 510 T N -0.081 114.485 114.554 0.020 0.000 2.841 510 T HA 0.188 4.538 4.350 -0.001 0.000 0.283 510 T C -0.181 174.464 174.700 -0.090 0.000 1.000 510 T CA -0.600 61.501 62.100 0.002 0.000 0.977 510 T CB 2.446 71.258 68.868 -0.093 0.000 0.979 510 T HN 0.021 nan 8.240 nan 0.000 0.446 511 K N 3.761 124.118 120.400 -0.071 0.000 2.504 511 K HA -0.016 4.303 4.320 -0.001 0.000 0.278 511 K C -1.732 174.840 176.600 -0.046 0.000 1.025 511 K CA -1.047 55.202 56.287 -0.064 0.000 1.093 511 K CB 0.422 32.889 32.500 -0.055 0.000 0.873 511 K HN 0.176 nan 8.250 nan 0.000 0.483 512 P HA -0.222 nan 4.420 nan 0.000 0.217 512 P C 0.777 178.084 177.300 0.012 0.000 1.151 512 P CA 1.593 64.663 63.100 -0.050 0.000 0.849 512 P CB 0.163 31.826 31.700 -0.061 0.000 0.787 513 S N -2.193 113.508 115.700 0.003 0.000 2.555 513 S HA 0.019 4.488 4.470 -0.001 0.000 0.230 513 S C 1.687 176.300 174.600 0.021 0.000 0.978 513 S CA 0.665 58.871 58.200 0.011 0.000 0.934 513 S CB -1.077 62.122 63.200 -0.002 0.000 0.766 513 S HN 0.123 nan 8.310 nan 0.000 0.533 514 I N -0.855 119.735 120.570 0.033 0.000 3.790 514 I HA 0.211 4.380 4.170 -0.001 0.000 0.305 514 I C 0.527 176.691 176.117 0.078 0.000 1.253 514 I CA -0.415 60.913 61.300 0.046 0.000 1.355 514 I CB -0.019 38.006 38.000 0.041 0.000 1.137 514 I HN 0.216 nan 8.210 nan 0.000 0.435 515 Y N 2.862 123.113 120.300 -0.082 0.000 2.852 515 Y HA -0.077 4.472 4.550 -0.001 0.000 0.343 515 Y C 0.451 176.332 175.900 -0.032 0.000 1.280 515 Y CA 0.089 58.104 58.100 -0.141 0.000 1.604 515 Y CB 0.285 38.600 38.460 -0.240 0.000 1.216 515 Y HN -0.085 nan 8.280 nan 0.000 0.541 516 S N 8.858 124.346 115.700 -0.353 0.000 2.312 516 S HA 0.389 4.859 4.470 -0.001 0.000 0.173 516 S C -2.886 171.506 174.600 -0.347 0.000 1.488 516 S CA -1.171 56.833 58.200 -0.327 0.000 1.239 516 S CB 0.082 63.212 63.200 -0.117 0.000 1.215 516 S HN 0.654 nan 8.310 nan 0.000 0.438 517 P HA 0.398 nan 4.420 nan 0.000 0.282 517 P C -1.327 175.706 177.300 -0.443 0.000 1.249 517 P CA -0.251 62.596 63.100 -0.421 0.000 0.806 517 P CB 0.996 32.418 31.700 -0.463 0.000 0.984 518 D N 2.313 122.627 120.400 -0.143 0.000 2.461 518 D HA 0.144 4.783 4.640 -0.001 0.000 0.240 518 D C 0.325 176.640 176.300 0.025 0.000 1.094 518 D CA -0.676 53.237 54.000 -0.145 0.000 0.868 518 D CB 0.257 41.026 40.800 -0.053 0.000 1.062 518 D HN 0.021 nan 8.370 nan 0.000 0.530 519 F N 1.693 121.759 119.950 0.193 0.000 2.529 519 F HA -0.094 4.432 4.527 -0.001 0.000 0.297 519 F C 2.365 178.246 175.800 0.136 0.000 1.114 519 F CA 0.673 58.788 58.000 0.191 0.000 1.467 519 F CB -0.538 38.556 39.000 0.157 0.000 1.096 519 F HN 0.346 nan 8.300 nan 0.000 0.586 520 S N -2.246 113.601 115.700 0.246 0.000 2.539 520 S HA 0.155 4.624 4.470 -0.001 0.000 0.221 520 S C 0.242 174.895 174.600 0.089 0.000 0.987 520 S CA -0.451 57.837 58.200 0.147 0.000 0.929 520 S CB -0.573 62.694 63.200 0.111 0.000 0.832 520 S HN 0.083 nan 8.310 nan 0.000 0.492 521 F N 2.632 122.532 119.950 -0.084 0.000 2.377 521 F HA 0.617 5.143 4.527 -0.001 0.000 0.328 521 F C 0.073 175.659 175.800 -0.358 0.000 1.094 521 F CA -0.668 57.157 58.000 -0.291 0.000 1.093 521 F CB 1.683 40.376 39.000 -0.511 0.000 1.214 521 F HN -0.055 nan 8.300 nan 0.000 0.518 522 S N 5.119 120.078 115.700 -1.236 0.000 2.464 522 S HA 0.167 4.636 4.470 -0.001 0.000 0.313 522 S C 0.323 174.406 174.600 -0.862 0.000 1.078 522 S CA -0.342 57.397 58.200 -0.769 0.000 1.096 522 S CB -0.188 62.667 63.200 -0.574 0.000 1.032 522 S HN 0.635 nan 8.310 nan 0.000 0.498 523 Y N 1.772 121.892 120.300 -0.300 0.000 2.314 523 Y HA 0.168 4.717 4.550 -0.001 0.000 0.293 523 Y C 0.374 175.764 175.900 -0.849 0.000 1.129 523 Y CA 0.757 58.529 58.100 -0.547 0.000 1.201 523 Y CB 0.136 38.295 38.460 -0.501 0.000 0.999 523 Y HN 0.495 nan 8.280 nan 0.000 0.541 524 F N -1.319 118.601 119.950 -0.050 0.000 2.599 524 F HA 0.459 4.985 4.527 -0.001 0.000 0.311 524 F C -0.047 175.792 175.800 0.065 0.000 1.076 524 F CA -1.485 56.543 58.000 0.047 0.000 0.937 524 F CB 1.673 40.822 39.000 0.248 0.000 1.282 524 F HN -0.396 nan 8.300 nan 0.000 0.460 525 T N 0.298 115.014 114.554 0.271 0.000 2.855 525 T HA 0.717 5.067 4.350 -0.001 0.000 0.281 525 T C -0.732 174.086 174.700 0.197 0.000 1.007 525 T CA -0.789 61.412 62.100 0.168 0.000 1.009 525 T CB 1.256 70.168 68.868 0.074 0.000 0.983 525 T HN 0.530 nan 8.240 nan 0.000 0.455 526 L N 1.987 123.264 121.223 0.090 0.000 2.395 526 L HA 0.487 4.827 4.340 -0.001 0.000 0.269 526 L C -0.074 176.792 176.870 -0.006 0.000 1.133 526 L CA -0.476 54.320 54.840 -0.074 0.000 0.812 526 L CB 1.102 43.074 42.059 -0.146 0.000 1.125 526 L HN 0.827 nan 8.230 nan 0.000 0.452 527 D N 1.530 121.905 120.400 -0.042 0.000 2.408 527 D HA 0.231 4.870 4.640 -0.001 0.000 0.243 527 D C -1.293 174.939 176.300 -0.114 0.000 1.075 527 D CA -0.373 53.602 54.000 -0.042 0.000 0.832 527 D CB 1.216 42.025 40.800 0.015 0.000 1.162 527 D HN 0.275 nan 8.370 nan 0.000 0.515 528 D N 2.467 122.819 120.400 -0.080 0.000 2.549 528 D HA 0.195 4.834 4.640 -0.001 0.000 0.251 528 D C 0.146 176.386 176.300 -0.101 0.000 1.153 528 D CA -0.466 53.506 54.000 -0.046 0.000 0.861 528 D CB 2.022 42.898 40.800 0.127 0.000 1.207 528 D HN 0.258 nan 8.370 nan 0.000 0.543 529 S N 2.603 118.216 115.700 -0.144 0.000 2.453 529 S HA -0.020 4.449 4.470 -0.001 0.000 0.231 529 S C 1.351 175.902 174.600 -0.083 0.000 1.005 529 S CA 0.769 58.876 58.200 -0.154 0.000 0.949 529 S CB 0.282 63.383 63.200 -0.166 0.000 0.774 529 S HN 0.499 nan 8.310 nan 0.000 0.510 530 R N -0.726 119.757 120.500 -0.028 0.000 2.565 530 R HA 0.226 4.565 4.340 -0.001 0.000 0.347 530 R C -0.674 175.683 176.300 0.094 0.000 1.010 530 R CA -0.124 55.982 56.100 0.010 0.000 1.126 530 R CB 0.749 31.055 30.300 0.010 0.000 1.331 530 R HN 0.329 nan 8.270 nan 0.000 0.552 531 W N 1.138 122.383 121.300 -0.092 0.000 3.405 531 W HA 0.279 4.939 4.660 -0.001 0.000 0.329 531 W C -2.972 173.496 176.519 -0.085 0.000 1.142 531 W CA -1.931 55.346 57.345 -0.113 0.000 1.235 531 W CB 1.748 31.122 29.460 -0.143 0.000 1.341 531 W HN -0.190 nan 8.180 nan 0.000 0.481 532 P HA 0.111 nan 4.420 nan 0.000 0.230 532 P C 0.378 177.248 177.300 -0.717 0.000 1.158 532 P CA 1.716 63.826 63.100 -1.649 0.000 0.769 532 P CB 0.244 31.288 31.700 -1.093 0.000 0.807 533 G N -0.874 107.701 108.800 -0.374 0.000 2.650 533 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.686 533 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.686 533 G C -0.382 174.439 174.900 -0.133 0.000 1.205 533 G CA -0.517 44.469 45.100 -0.191 0.000 0.781 533 G HN 0.098 nan 8.290 nan 0.000 0.648 534 S N 0.314 115.979 115.700 -0.058 0.000 2.537 534 S HA 0.524 4.993 4.470 -0.001 0.000 0.286 534 S C 1.846 176.432 174.600 -0.024 0.000 1.299 534 S CA 1.986 60.184 58.200 -0.003 0.000 1.067 534 S CB 0.254 63.491 63.200 0.062 0.000 0.864 534 S HN 2.706 nan 8.310 nan 0.000 0.494 535 G N 2.934 111.720 108.800 -0.023 0.000 2.225 535 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.254 535 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.254 535 G C 0.650 175.517 174.900 -0.055 0.000 0.988 535 G CA 0.336 45.415 45.100 -0.035 0.000 0.625 535 G HN 0.841 nan 8.290 nan 0.000 0.527 536 V N -0.062 119.801 119.914 -0.085 0.000 2.521 536 V HA 0.439 4.559 4.120 -0.001 0.000 0.239 536 V C 0.813 176.841 176.094 -0.110 0.000 1.053 536 V CA 1.921 64.156 62.300 -0.108 0.000 1.073 536 V CB 0.829 32.549 31.823 -0.172 0.000 0.746 536 V HN 0.568 nan 8.190 nan 0.000 0.476 537 E N 0.124 120.249 120.200 -0.124 0.000 2.311 537 E HA 0.134 4.483 4.350 -0.001 0.000 0.281 537 E C -1.694 174.866 176.600 -0.067 0.000 0.905 537 E CA -0.505 55.836 56.400 -0.099 0.000 0.778 537 E CB 1.699 31.314 29.700 -0.140 0.000 1.240 537 E HN 0.212 nan 8.360 nan 0.000 0.410 538 D N 3.419 123.805 120.400 -0.024 0.000 2.483 538 D HA 0.065 4.704 4.640 -0.001 0.000 0.220 538 D C 0.294 176.597 176.300 0.004 0.000 1.173 538 D CA 0.199 54.205 54.000 0.011 0.000 0.964 538 D CB 0.584 41.404 40.800 0.033 0.000 1.046 538 D HN 0.432 nan 8.370 nan 0.000 0.517 539 S N 2.727 118.417 115.700 -0.015 0.000 2.526 539 S HA 0.162 4.631 4.470 -0.001 0.000 0.220 539 S C 0.943 175.541 174.600 -0.003 0.000 1.017 539 S CA -0.451 57.739 58.200 -0.017 0.000 0.930 539 S CB 0.477 63.650 63.200 -0.045 0.000 0.856 539 S HN 0.261 nan 8.310 nan 0.000 0.497 540 R N 3.162 123.657 120.500 -0.009 0.000 2.442 540 R HA 0.287 4.626 4.340 -0.001 0.000 0.291 540 R C 0.218 176.554 176.300 0.060 0.000 1.069 540 R CA 0.375 56.452 56.100 -0.038 0.000 1.022 540 R CB 0.521 30.680 30.300 -0.235 0.000 0.976 540 R HN 0.524 nan 8.270 nan 0.000 0.443 541 T N -0.462 114.129 114.554 0.061 0.000 2.904 541 T HA 0.188 4.537 4.350 -0.001 0.000 0.290 541 T C 0.315 175.123 174.700 0.180 0.000 1.018 541 T CA -0.663 61.502 62.100 0.108 0.000 1.075 541 T CB 1.484 70.403 68.868 0.085 0.000 0.986 541 T HN 0.327 nan 8.240 nan 0.000 0.523 542 T N 3.065 117.731 114.554 0.188 0.000 2.799 542 T HA 0.428 4.777 4.350 -0.001 0.000 0.286 542 T C 0.394 175.202 174.700 0.181 0.000 0.973 542 T CA -0.543 61.693 62.100 0.227 0.000 1.035 542 T CB 0.299 69.259 68.868 0.154 0.000 0.932 542 T HN 0.568 nan 8.240 nan 0.000 0.469 543 I N 4.031 124.727 120.570 0.210 0.000 2.436 543 I HA 0.206 4.375 4.170 -0.001 0.000 0.289 543 I C 0.138 176.344 176.117 0.147 0.000 1.083 543 I CA -0.019 61.383 61.300 0.170 0.000 1.372 543 I CB 0.288 38.392 38.000 0.174 0.000 1.408 543 I HN 0.444 nan 8.210 nan 0.000 0.516 544 I N 8.064 128.706 120.570 0.120 0.000 2.297 544 I HA 0.338 4.507 4.170 -0.001 0.000 0.291 544 I C -0.188 175.992 176.117 0.105 0.000 1.033 544 I CA -0.227 61.136 61.300 0.106 0.000 1.253 544 I CB 0.581 38.631 38.000 0.083 0.000 1.396 544 I HN 0.396 nan 8.210 nan 0.000 0.476 545 L N 5.612 126.901 121.223 0.110 0.000 2.323 545 L HA 0.964 5.303 4.340 -0.001 0.000 0.265 545 L C 0.125 177.054 176.870 0.098 0.000 1.012 545 L CA -0.712 54.191 54.840 0.106 0.000 0.820 545 L CB 2.227 44.354 42.059 0.113 0.000 1.334 545 L HN 0.686 nan 8.230 nan 0.000 0.427 546 G N 0.087 108.940 108.800 0.089 0.000 2.473 546 G HA2 0.276 4.235 3.960 -0.001 0.000 0.298 546 G HA3 0.276 4.235 3.960 -0.001 0.000 0.298 546 G C -0.482 174.461 174.900 0.071 0.000 1.575 546 G CA -0.488 44.661 45.100 0.082 0.000 0.846 546 G HN 0.558 nan 8.290 nan 0.000 0.585 547 E N 0.289 120.528 120.200 0.065 0.000 2.160 547 E HA -0.054 4.295 4.350 -0.001 0.000 0.195 547 E C 1.148 177.776 176.600 0.046 0.000 0.991 547 E CA 1.383 57.814 56.400 0.052 0.000 0.810 547 E CB 0.277 30.004 29.700 0.044 0.000 0.742 547 E HN 0.487 nan 8.360 nan 0.000 0.466 548 D N -1.048 119.380 120.400 0.046 0.000 2.427 548 D HA 0.173 4.812 4.640 -0.001 0.000 0.224 548 D C 0.862 177.188 176.300 0.043 0.000 1.157 548 D CA 0.131 54.155 54.000 0.040 0.000 0.828 548 D CB 0.688 41.510 40.800 0.036 0.000 0.974 548 D HN 0.178 nan 8.370 nan 0.000 0.498 549 I N -1.074 119.526 120.570 0.051 0.000 4.199 549 I HA 0.157 4.326 4.170 -0.001 0.000 0.280 549 I C -1.569 174.585 176.117 0.062 0.000 1.122 549 I CA 0.044 61.376 61.300 0.053 0.000 1.318 549 I CB 1.191 39.224 38.000 0.054 0.000 1.737 549 I HN -0.147 nan 8.210 nan 0.000 0.428 550 L N 2.051 123.317 121.223 0.072 0.000 2.710 550 L HA 0.539 4.878 4.340 -0.001 0.000 0.262 550 L C -2.557 174.366 176.870 0.087 0.000 0.940 550 L CA -0.858 54.032 54.840 0.084 0.000 0.944 550 L CB 1.864 43.980 42.059 0.096 0.000 1.348 550 L HN -0.105 nan 8.230 nan 0.000 0.425 551 P HA 0.098 nan 4.420 nan 0.000 0.230 551 P C -0.158 177.195 177.300 0.088 0.000 1.168 551 P CA 0.689 63.837 63.100 0.080 0.000 0.793 551 P CB 0.477 32.216 31.700 0.066 0.000 0.851 552 S N -1.731 114.032 115.700 0.105 0.000 2.625 552 S HA 0.733 5.203 4.470 -0.001 0.000 0.271 552 S C -1.288 173.409 174.600 0.161 0.000 1.161 552 S CA -0.674 57.591 58.200 0.109 0.000 0.820 552 S CB 2.539 65.790 63.200 0.084 0.000 1.137 552 S HN -0.112 nan 8.310 nan 0.000 0.470 553 K N 0.519 121.015 120.400 0.159 0.000 2.535 553 K HA 0.553 4.873 4.320 -0.001 0.000 0.251 553 K C -2.046 174.704 176.600 0.251 0.000 0.942 553 K CA -0.233 56.199 56.287 0.241 0.000 0.798 553 K CB 1.008 33.618 32.500 0.183 0.000 1.267 553 K HN 0.840 nan 8.250 nan 0.000 0.434 554 H N 0.992 120.213 119.070 0.252 0.000 2.610 554 H HA 0.462 5.017 4.556 -0.001 0.000 0.336 554 H C -0.222 175.344 175.328 0.397 0.000 1.087 554 H CA 0.051 56.295 56.048 0.325 0.000 1.405 554 H CB 1.076 31.113 29.762 0.460 0.000 1.460 554 H HN 0.422 nan 8.280 nan 0.000 0.538 555 V N 1.113 121.289 119.914 0.436 0.000 3.001 555 V HA 0.811 4.930 4.120 -0.001 0.000 0.314 555 V C -0.777 175.645 176.094 0.546 0.000 1.099 555 V CA -0.860 61.684 62.300 0.406 0.000 0.989 555 V CB 2.138 33.939 31.823 -0.036 0.000 1.040 555 V HN 0.471 nan 8.190 nan 0.000 0.434 556 V N 3.433 123.685 119.914 0.563 0.000 2.808 556 V HA 0.641 4.760 4.120 -0.001 0.000 0.308 556 V C -0.607 175.824 176.094 0.562 0.000 1.099 556 V CA -0.338 62.263 62.300 0.501 0.000 0.920 556 V CB 1.928 33.902 31.823 0.251 0.000 1.014 556 V HN 0.950 nan 8.190 nan 0.000 0.425 557 M N 3.919 123.822 119.600 0.505 0.000 2.436 557 M HA 0.527 5.006 4.480 -0.001 0.000 0.331 557 M C -0.573 175.981 176.300 0.423 0.000 1.135 557 M CA -0.296 55.270 55.300 0.443 0.000 0.987 557 M CB 1.387 34.192 32.600 0.341 0.000 1.687 557 M HN 0.779 nan 8.290 nan 0.000 0.445 558 H N 1.686 120.942 119.070 0.311 0.000 2.524 558 H HA 0.526 5.081 4.556 -0.001 0.000 0.353 558 H C -1.409 174.027 175.328 0.180 0.000 1.136 558 H CA -0.625 55.578 56.048 0.257 0.000 1.193 558 H CB 1.313 31.285 29.762 0.351 0.000 1.558 558 H HN 0.666 nan 8.280 nan 0.000 0.515 559 N N 2.948 121.391 118.700 -0.428 0.000 2.569 559 N HA 0.045 4.784 4.740 -0.001 0.000 0.254 559 N C 0.278 175.448 175.510 -0.567 0.000 1.004 559 N CA -0.316 52.509 53.050 -0.375 0.000 0.904 559 N CB 1.650 40.029 38.487 -0.179 0.000 1.165 559 N HN 0.624 nan 8.380 nan 0.000 0.513 560 T N 2.815 117.078 114.554 -0.485 0.000 3.035 560 T HA 0.140 4.490 4.350 -0.001 0.000 0.268 560 T C 0.713 175.378 174.700 -0.059 0.000 1.109 560 T CA 0.593 62.588 62.100 -0.174 0.000 1.119 560 T CB -0.250 68.654 68.868 0.060 0.000 0.900 560 T HN 0.427 nan 8.240 nan 0.000 0.503 561 L N 2.690 123.831 121.223 -0.137 0.000 2.417 561 L HA 0.286 4.626 4.340 -0.001 0.000 0.268 561 L C -1.554 175.185 176.870 -0.219 0.000 1.158 561 L CA -1.811 52.918 54.840 -0.185 0.000 0.819 561 L CB 0.465 42.282 42.059 -0.403 0.000 1.112 561 L HN -0.034 nan 8.230 nan 0.000 0.458 562 P HA 0.041 nan 4.420 nan 0.000 0.243 562 P C -0.930 176.389 177.300 0.032 0.000 1.668 562 P CA 0.371 63.464 63.100 -0.012 0.000 0.898 562 P CB -0.341 31.411 31.700 0.086 0.000 1.637 563 H N -3.319 115.772 119.070 0.036 0.000 3.016 563 H HA 0.241 4.796 4.556 -0.001 0.000 0.362 563 H C -1.003 174.354 175.328 0.048 0.000 1.233 563 H CA -1.073 55.017 56.048 0.071 0.000 1.124 563 H CB -0.027 29.808 29.762 0.123 0.000 1.850 563 H HN -0.134 nan 8.280 nan 0.000 0.549 564 W N 1.622 123.039 121.300 0.195 0.000 2.231 564 W HA 0.231 4.890 4.660 -0.001 0.000 0.341 564 W C 0.885 177.513 176.519 0.182 0.000 1.298 564 W CA 0.469 57.891 57.345 0.129 0.000 1.266 564 W CB 0.461 29.981 29.460 0.101 0.000 1.172 564 W HN 0.526 nan 8.180 nan 0.000 0.568 565 R N 2.231 122.938 120.500 0.344 0.000 2.604 565 R HA 0.303 4.642 4.340 -0.001 0.000 0.281 565 R C -1.153 175.279 176.300 0.219 0.000 1.020 565 R CA -0.654 55.602 56.100 0.260 0.000 0.899 565 R CB 1.399 31.774 30.300 0.126 0.000 1.205 565 R HN 0.502 nan 8.270 nan 0.000 0.450 566 E N 2.467 122.773 120.200 0.176 0.000 2.195 566 E HA 0.254 4.603 4.350 -0.001 0.000 0.271 566 E C -1.292 175.351 176.600 0.072 0.000 0.923 566 E CA -0.792 55.687 56.400 0.131 0.000 0.790 566 E CB 2.405 32.175 29.700 0.117 0.000 1.155 566 E HN 0.400 nan 8.360 nan 0.000 0.402 567 Q N 3.193 123.009 119.800 0.027 0.000 2.320 567 Q HA 0.260 4.599 4.340 -0.001 0.000 0.272 567 Q C -1.494 174.454 176.000 -0.087 0.000 1.023 567 Q CA -0.614 55.176 55.803 -0.022 0.000 0.855 567 Q CB 1.453 30.171 28.738 -0.033 0.000 1.367 567 Q HN 0.561 nan 8.270 nan 0.000 0.406 568 L N 3.322 124.492 121.223 -0.089 0.000 2.453 568 L HA 0.332 4.671 4.340 -0.001 0.000 0.272 568 L C 0.191 176.919 176.870 -0.236 0.000 1.182 568 L CA -0.319 54.431 54.840 -0.151 0.000 0.858 568 L CB 0.598 42.606 42.059 -0.084 0.000 1.120 568 L HN 0.472 nan 8.230 nan 0.000 0.474 569 V N -0.468 119.199 119.914 -0.412 0.000 2.823 569 V HA 0.691 4.810 4.120 -0.001 0.000 0.312 569 V C -0.919 174.904 176.094 -0.452 0.000 1.072 569 V CA -0.870 61.151 62.300 -0.464 0.000 0.937 569 V CB 2.153 33.653 31.823 -0.539 0.000 1.013 569 V HN 0.785 nan 8.190 nan 0.000 0.430 570 D N 1.645 121.779 120.400 -0.444 0.000 2.575 570 D HA 0.637 5.276 4.640 -0.001 0.000 0.236 570 D C -1.364 174.619 176.300 -0.529 0.000 1.075 570 D CA -0.380 53.458 54.000 -0.270 0.000 0.860 570 D CB 2.457 43.197 40.800 -0.099 0.000 1.475 570 D HN 0.445 nan 8.370 nan 0.000 0.474 571 F N -0.077 119.937 119.950 0.107 0.000 2.599 571 F HA 0.342 4.869 4.527 -0.001 0.000 0.311 571 F C -0.556 175.405 175.800 0.269 0.000 1.076 571 F CA -1.051 57.024 58.000 0.125 0.000 0.937 571 F CB 1.581 40.697 39.000 0.193 0.000 1.282 571 F HN 0.161 nan 8.300 nan 0.000 0.460 572 Y N 1.990 122.446 120.300 0.259 0.000 2.304 572 Y HA 0.583 5.133 4.550 -0.001 0.000 0.328 572 Y C 0.158 176.178 175.900 0.200 0.000 1.123 572 Y CA -1.492 56.709 58.100 0.167 0.000 1.218 572 Y CB 1.072 39.586 38.460 0.091 0.000 1.207 572 Y HN 0.346 nan 8.280 nan 0.000 0.495 573 V N -0.513 119.596 119.914 0.324 0.000 3.007 573 V HA 0.532 4.651 4.120 -0.001 0.000 0.311 573 V C 0.332 176.568 176.094 0.236 0.000 1.120 573 V CA -0.743 61.715 62.300 0.263 0.000 0.980 573 V CB 1.657 33.634 31.823 0.256 0.000 1.033 573 V HN 0.671 nan 8.190 nan 0.000 0.429 574 S N 0.322 116.142 115.700 0.200 0.000 2.603 574 S HA 0.229 4.698 4.470 -0.001 0.000 0.220 574 S C 0.692 175.459 174.600 0.279 0.000 0.967 574 S CA 0.545 58.857 58.200 0.186 0.000 0.920 574 S CB -0.231 63.046 63.200 0.127 0.000 0.773 574 S HN 1.474 nan 8.310 nan 0.000 0.529 575 S N 1.178 117.035 115.700 0.261 0.000 2.546 575 S HA 0.570 5.040 4.470 -0.001 0.000 0.274 575 S C -2.616 171.856 174.600 -0.213 0.000 1.121 575 S CA -1.380 56.840 58.200 0.034 0.000 0.887 575 S CB 1.979 65.217 63.200 0.063 0.000 1.094 575 S HN 0.017 nan 8.310 nan 0.000 0.474 576 P HA 0.191 nan 4.420 nan 0.000 0.240 576 P C -0.241 176.839 177.300 -0.368 0.000 1.190 576 P CA 0.279 62.940 63.100 -0.731 0.000 0.781 576 P CB -0.152 30.820 31.700 -1.214 0.000 0.931 577 F N 0.972 120.926 119.950 0.006 0.000 2.467 577 F HA 0.269 4.795 4.527 -0.001 0.000 0.349 577 F C 0.481 176.324 175.800 0.072 0.000 1.182 577 F CA -1.022 57.016 58.000 0.064 0.000 1.279 577 F CB -0.006 38.994 39.000 0.001 0.000 1.626 577 F HN -0.329 nan 8.300 nan 0.000 0.596 578 V N 1.082 121.122 119.914 0.209 0.000 2.709 578 V HA 0.657 4.776 4.120 -0.001 0.000 0.308 578 V C -0.357 175.801 176.094 0.107 0.000 1.062 578 V CA -0.879 61.507 62.300 0.142 0.000 0.901 578 V CB 2.306 34.203 31.823 0.125 0.000 1.003 578 V HN 0.518 nan 8.190 nan 0.000 0.425 579 S N 2.803 118.548 115.700 0.075 0.000 2.638 579 S HA 0.908 5.377 4.470 -0.001 0.000 0.302 579 S C -0.933 173.647 174.600 -0.033 0.000 1.096 579 S CA -0.864 57.360 58.200 0.040 0.000 0.953 579 S CB 2.158 65.401 63.200 0.072 0.000 1.107 579 S HN 0.460 nan 8.310 nan 0.000 0.503 580 V N 1.686 121.543 119.914 -0.095 0.000 2.604 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.305 580 V C 0.022 176.024 176.094 -0.153 0.000 1.043 580 V CA -0.477 61.688 62.300 -0.225 0.000 0.888 580 V CB 1.610 33.100 31.823 -0.555 0.000 0.995 580 V HN 1.211 nan 8.190 nan 0.000 0.429 581 T N -0.407 114.075 114.554 -0.120 0.000 2.906 581 T HA 0.695 5.044 4.350 -0.001 0.000 0.295 581 T C -0.841 173.832 174.700 -0.044 0.000 1.075 581 T CA -0.893 61.160 62.100 -0.078 0.000 1.005 581 T CB 2.161 70.975 68.868 -0.089 0.000 1.136 581 T HN 0.703 nan 8.240 nan 0.000 0.498 582 D N 0.521 120.867 120.400 -0.089 0.000 2.511 582 D HA 0.284 4.923 4.640 -0.001 0.000 0.276 582 D C 0.820 176.982 176.300 -0.229 0.000 1.220 582 D CA -1.182 52.651 54.000 -0.278 0.000 1.077 582 D CB 0.192 40.824 40.800 -0.281 0.000 1.126 582 D HN 0.319 nan 8.370 nan 0.000 0.583 583 L N -0.737 120.339 121.223 -0.246 0.000 2.599 583 L HA 0.297 4.636 4.340 -0.001 0.000 0.230 583 L C 1.665 178.462 176.870 -0.122 0.000 1.141 583 L CA 0.581 55.321 54.840 -0.167 0.000 0.877 583 L CB -0.879 41.092 42.059 -0.147 0.000 1.009 583 L HN 0.628 nan 8.230 nan 0.000 0.447 584 A N -1.183 121.569 122.820 -0.114 0.000 2.345 584 A HA 0.152 4.471 4.320 -0.001 0.000 0.225 584 A C 1.164 178.702 177.584 -0.076 0.000 1.243 584 A CA 0.356 52.343 52.037 -0.083 0.000 0.875 584 A CB -0.442 18.515 19.000 -0.072 0.000 0.929 584 A HN 0.460 nan 8.150 nan 0.000 0.502 585 N N -0.104 118.544 118.700 -0.088 0.000 2.829 585 N HA -0.135 4.604 4.740 -0.001 0.000 0.250 585 N C -1.102 174.364 175.510 -0.073 0.000 1.090 585 N CA 0.796 53.801 53.050 -0.076 0.000 0.781 585 N CB -1.887 36.566 38.487 -0.058 0.000 1.124 585 N HN 0.531 nan 8.380 nan 0.000 0.559 586 N N 1.118 119.770 118.700 -0.079 0.000 2.458 586 N HA 0.259 4.998 4.740 -0.001 0.000 0.270 586 N C -2.467 172.978 175.510 -0.108 0.000 1.102 586 N CA -0.822 52.179 53.050 -0.082 0.000 0.967 586 N CB 0.720 39.168 38.487 -0.065 0.000 1.078 586 N HN 0.233 nan 8.380 nan 0.000 0.471 587 P HA 0.027 nan 4.420 nan 0.000 0.267 587 P C -0.489 176.682 177.300 -0.215 0.000 1.200 587 P CA 0.027 62.961 63.100 -0.277 0.000 0.772 587 P CB 0.737 32.027 31.700 -0.684 0.000 0.855 588 V N 2.330 122.157 119.914 -0.144 0.000 2.487 588 V HA 0.203 4.322 4.120 -0.001 0.000 0.298 588 V C 0.278 176.367 176.094 -0.008 0.000 1.028 588 V CA -0.770 61.504 62.300 -0.043 0.000 0.860 588 V CB 1.415 33.235 31.823 -0.005 0.000 0.991 588 V HN 0.532 nan 8.190 nan 0.000 0.427 589 E N 3.238 123.472 120.200 0.058 0.000 2.415 589 E HA 0.454 4.803 4.350 -0.001 0.000 0.263 589 E C -0.211 176.465 176.600 0.127 0.000 0.995 589 E CA 0.126 56.594 56.400 0.113 0.000 0.915 589 E CB 0.864 30.635 29.700 0.118 0.000 0.951 589 E HN 0.882 nan 8.360 nan 0.000 0.449 590 A N 4.282 127.166 122.820 0.106 0.000 2.527 590 A HA 0.443 4.762 4.320 -0.001 0.000 0.293 590 A C -1.309 176.300 177.584 0.042 0.000 1.117 590 A CA -0.719 51.391 52.037 0.120 0.000 0.723 590 A CB 1.981 21.041 19.000 0.101 0.000 1.313 590 A HN 0.673 nan 8.150 nan 0.000 0.411 591 Q N 0.755 120.583 119.800 0.047 0.000 2.347 591 Q HA 0.644 4.983 4.340 -0.001 0.000 0.271 591 Q C -2.077 173.912 176.000 -0.019 0.000 1.064 591 Q CA -0.534 55.252 55.803 -0.029 0.000 0.800 591 Q CB 2.223 30.980 28.738 0.032 0.000 1.304 591 Q HN 0.581 nan 8.270 nan 0.000 0.438 592 V N 2.596 122.423 119.914 -0.144 0.000 2.513 592 V HA 0.621 4.740 4.120 -0.001 0.000 0.299 592 V C -0.547 175.700 176.094 0.256 0.000 1.035 592 V CA -0.260 62.052 62.300 0.020 0.000 0.889 592 V CB 1.870 33.641 31.823 -0.086 0.000 0.988 592 V HN 0.867 nan 8.190 nan 0.000 0.440 593 S N 4.835 120.726 115.700 0.318 0.000 2.627 593 S HA 0.687 5.156 4.470 -0.001 0.000 0.283 593 S C -2.821 171.841 174.600 0.103 0.000 1.127 593 S CA -1.132 57.245 58.200 0.294 0.000 0.863 593 S CB 2.481 65.803 63.200 0.204 0.000 1.121 593 S HN 0.524 nan 8.310 nan 0.000 0.479 594 P HA 0.291 nan 4.420 nan 0.000 0.274 594 P C -1.180 175.801 177.300 -0.532 0.000 1.256 594 P CA -0.522 62.198 63.100 -0.633 0.000 0.795 594 P CB 0.404 31.348 31.700 -1.261 0.000 1.038 595 V N 1.896 121.428 119.914 -0.637 0.000 2.334 595 V HA 0.174 4.293 4.120 -0.001 0.000 0.267 595 V C -0.549 175.231 176.094 -0.522 0.000 1.040 595 V CA -0.195 61.813 62.300 -0.486 0.000 0.866 595 V CB -0.565 30.883 31.823 -0.626 0.000 1.019 595 V HN 0.516 nan 8.190 nan 0.000 0.468 596 W N 3.638 124.854 121.300 -0.141 0.000 2.390 596 W HA 0.610 5.269 4.660 -0.001 0.000 0.312 596 W C 0.492 176.937 176.519 -0.123 0.000 1.123 596 W CA -0.344 56.903 57.345 -0.164 0.000 1.202 596 W CB 1.724 31.099 29.460 -0.143 0.000 1.251 596 W HN 0.573 nan 8.180 nan 0.000 0.511 597 S N 1.748 117.472 115.700 0.040 0.000 2.526 597 S HA 0.611 5.081 4.470 -0.001 0.000 0.293 597 S C -1.397 173.032 174.600 -0.286 0.000 1.092 597 S CA -0.966 57.204 58.200 -0.049 0.000 0.980 597 S CB 1.110 64.266 63.200 -0.073 0.000 1.048 597 S HN 0.407 nan 8.310 nan 0.000 0.483 598 W N 1.687 122.773 121.300 -0.357 0.000 2.496 598 W HA 0.586 5.246 4.660 -0.001 0.000 0.327 598 W C 0.466 176.591 176.519 -0.657 0.000 1.086 598 W CA -0.146 56.976 57.345 -0.373 0.000 1.222 598 W CB 0.931 30.277 29.460 -0.190 0.000 1.304 598 W HN 0.640 nan 8.180 nan 0.000 0.547 599 H N 0.888 119.988 119.070 0.050 0.000 2.851 599 H HA 0.123 4.678 4.556 -0.001 0.000 0.372 599 H C -1.151 174.252 175.328 0.125 0.000 1.158 599 H CA -0.971 55.097 56.048 0.033 0.000 1.159 599 H CB 1.929 31.640 29.762 -0.086 0.000 1.757 599 H HN 0.365 nan 8.280 nan 0.000 0.546 600 H N 1.705 120.890 119.070 0.191 0.000 2.705 600 H HA 0.073 4.628 4.556 -0.001 0.000 0.291 600 H C -0.567 174.869 175.328 0.180 0.000 1.085 600 H CA -0.299 55.850 56.048 0.168 0.000 1.357 600 H CB 0.371 30.200 29.762 0.111 0.000 1.419 600 H HN 0.408 nan 8.280 nan 0.000 0.462 601 D N 3.873 124.195 120.400 -0.130 0.000 2.402 601 D HA -0.015 4.624 4.640 -0.001 0.000 0.235 601 D C 0.882 176.915 176.300 -0.444 0.000 1.226 601 D CA 0.122 54.052 54.000 -0.117 0.000 0.918 601 D CB 0.550 41.437 40.800 0.146 0.000 1.043 601 D HN 0.801 nan 8.370 nan 0.000 0.506 602 T N 1.139 115.452 114.554 -0.403 0.000 3.025 602 T HA -0.109 4.240 4.350 -0.001 0.000 0.270 602 T C 1.809 176.434 174.700 -0.125 0.000 1.126 602 T CA 0.230 62.161 62.100 -0.280 0.000 1.105 602 T CB 0.240 69.048 68.868 -0.099 0.000 0.884 602 T HN 0.250 nan 8.240 nan 0.000 0.522 603 L N 2.040 123.201 121.223 -0.103 0.000 2.130 603 L HA 0.103 4.442 4.340 -0.001 0.000 0.200 603 L C 2.999 179.838 176.870 -0.052 0.000 1.075 603 L CA 2.151 56.956 54.840 -0.057 0.000 0.768 603 L CB -1.749 40.282 42.059 -0.046 0.000 0.933 603 L HN 0.548 nan 8.230 nan 0.000 0.451 604 T N -4.172 110.342 114.554 -0.066 0.000 3.081 604 T HA 0.002 4.351 4.350 -0.001 0.000 0.255 604 T C 0.744 175.433 174.700 -0.019 0.000 1.113 604 T CA -0.143 61.924 62.100 -0.056 0.000 1.082 604 T CB 0.151 68.957 68.868 -0.104 0.000 0.939 604 T HN 0.064 nan 8.240 nan 0.000 0.506 605 K N 2.099 122.489 120.400 -0.017 0.000 3.125 605 K HA -0.116 4.203 4.320 -0.001 0.000 0.268 605 K C 0.067 176.769 176.600 0.171 0.000 1.078 605 K CA 1.252 57.601 56.287 0.103 0.000 0.775 605 K CB -2.798 29.765 32.500 0.104 0.000 1.253 605 K HN 0.900 nan 8.250 nan 0.000 0.486 606 T N -2.884 111.769 114.554 0.163 0.000 2.896 606 T HA 0.801 5.150 4.350 -0.001 0.000 0.297 606 T C 0.150 175.086 174.700 0.394 0.000 1.108 606 T CA -1.043 61.189 62.100 0.221 0.000 1.004 606 T CB 2.209 71.136 68.868 0.099 0.000 1.159 606 T HN 0.125 nan 8.240 nan 0.000 0.499 607 I N 3.243 124.058 120.570 0.408 0.000 2.328 607 I HA 0.494 4.663 4.170 -0.001 0.000 0.287 607 I C -0.137 176.328 176.117 0.579 0.000 1.012 607 I CA -0.633 60.951 61.300 0.473 0.000 1.195 607 I CB 0.523 38.720 38.000 0.328 0.000 1.350 607 I HN 0.921 nan 8.210 nan 0.000 0.464 608 H N 5.961 125.193 119.070 0.270 0.000 2.980 608 H HA 0.666 5.222 4.556 -0.001 0.000 0.367 608 H C -3.118 171.939 175.328 -0.451 0.000 1.206 608 H CA -2.412 53.601 56.048 -0.059 0.000 1.126 608 H CB 1.926 31.670 29.762 -0.029 0.000 1.838 608 H HN 0.152 nan 8.280 nan 0.000 0.552 609 P HA 0.189 nan 4.420 nan 0.000 0.286 609 P C -1.032 176.089 177.300 -0.300 0.000 1.261 609 P CA -0.541 61.913 63.100 -1.078 0.000 0.821 609 P CB 1.815 32.647 31.700 -1.447 0.000 1.013 610 Q N 0.542 120.283 119.800 -0.097 0.000 2.337 610 Q HA 0.609 4.948 4.340 -0.001 0.000 0.266 610 Q C 0.051 176.073 176.000 0.037 0.000 1.023 610 Q CA -0.814 55.026 55.803 0.061 0.000 0.829 610 Q CB 2.304 31.083 28.738 0.069 0.000 1.306 610 Q HN 0.562 nan 8.270 nan 0.000 0.449 611 G N 0.746 109.456 108.800 -0.151 0.000 2.356 611 G HA2 0.299 4.258 3.960 -0.001 0.000 0.322 611 G HA3 0.299 4.258 3.960 -0.001 0.000 0.322 611 G C -0.439 174.188 174.900 -0.456 0.000 1.125 611 G CA -0.361 44.328 45.100 -0.684 0.000 0.885 611 G HN 0.443 nan 8.290 nan 0.000 0.467 612 S N 0.110 115.495 115.700 -0.524 0.000 2.562 612 S HA 0.263 4.732 4.470 -0.001 0.000 0.281 612 S C 1.522 175.876 174.600 -0.410 0.000 1.333 612 S CA 0.389 58.333 58.200 -0.427 0.000 1.052 612 S CB 0.607 63.494 63.200 -0.522 0.000 0.884 612 S HN 0.946 nan 8.310 nan 0.000 0.506 613 T N 0.100 114.487 114.554 -0.279 0.000 3.129 613 T HA 0.200 4.549 4.350 -0.001 0.000 0.267 613 T C 0.934 175.528 174.700 -0.177 0.000 1.018 613 T CA 0.319 62.312 62.100 -0.179 0.000 0.903 613 T CB -0.177 68.638 68.868 -0.087 0.000 1.067 613 T HN 0.697 nan 8.240 nan 0.000 0.549 614 T N -1.454 112.919 114.554 -0.301 0.000 3.087 614 T HA 0.350 4.699 4.350 -0.001 0.000 0.283 614 T C 0.016 174.512 174.700 -0.341 0.000 0.956 614 T CA -0.497 61.469 62.100 -0.224 0.000 0.894 614 T CB 0.089 68.875 68.868 -0.138 0.000 1.160 614 T HN 0.682 nan 8.240 nan 0.000 0.532 615 K N -0.197 119.776 120.400 -0.711 0.000 2.575 615 K HA 0.613 4.932 4.320 -0.001 0.000 0.279 615 K C -2.167 173.713 176.600 -1.199 0.000 0.969 615 K CA -0.997 54.858 56.287 -0.720 0.000 0.868 615 K CB 1.316 33.576 32.500 -0.400 0.000 1.457 615 K HN 0.096 nan 8.250 nan 0.000 0.426 616 Y N -0.249 119.960 120.300 -0.151 0.000 2.638 616 Y HA 0.521 5.071 4.550 -0.001 0.000 0.339 616 Y C -0.472 175.427 175.900 -0.002 0.000 1.084 616 Y CA -1.197 56.842 58.100 -0.102 0.000 1.068 616 Y CB 2.153 40.623 38.460 0.017 0.000 1.294 616 Y HN 0.349 nan 8.280 nan 0.000 0.480 617 R N 1.510 122.134 120.500 0.207 0.000 2.338 617 R HA 0.601 4.940 4.340 -0.001 0.000 0.317 617 R C -1.344 175.118 176.300 0.270 0.000 0.968 617 R CA -0.652 55.615 56.100 0.277 0.000 0.849 617 R CB 1.916 32.359 30.300 0.237 0.000 1.128 617 R HN 0.660 nan 8.270 nan 0.000 0.448 618 I N 4.138 124.890 120.570 0.303 0.000 2.412 618 I HA 0.448 4.617 4.170 -0.001 0.000 0.296 618 I C -1.004 175.294 176.117 0.302 0.000 0.987 618 I CA -0.807 60.662 61.300 0.282 0.000 1.180 618 I CB 1.123 39.302 38.000 0.298 0.000 1.340 618 I HN 0.550 nan 8.210 nan 0.000 0.455 619 I N 7.897 128.616 120.570 0.249 0.000 2.545 619 I HA 0.504 4.673 4.170 -0.001 0.000 0.292 619 I C -1.071 175.204 176.117 0.263 0.000 1.040 619 I CA -0.556 60.843 61.300 0.165 0.000 1.068 619 I CB 1.706 39.758 38.000 0.086 0.000 1.251 619 I HN 0.496 nan 8.210 nan 0.000 0.424 620 F N 2.797 122.766 119.950 0.032 0.000 2.686 620 F HA 0.567 5.093 4.527 -0.001 0.000 0.311 620 F C -1.025 174.753 175.800 -0.037 0.000 1.128 620 F CA -1.363 56.635 58.000 -0.004 0.000 0.946 620 F CB 1.263 40.247 39.000 -0.026 0.000 1.336 620 F HN 0.199 nan 8.300 nan 0.000 0.457 621 K N 1.937 122.408 120.400 0.119 0.000 2.285 621 K HA 0.733 5.052 4.320 -0.001 0.000 0.286 621 K C -0.612 176.013 176.600 0.041 0.000 1.072 621 K CA -0.337 55.958 56.287 0.013 0.000 0.913 621 K CB 0.775 33.324 32.500 0.081 0.000 1.067 621 K HN 0.939 nan 8.250 nan 0.000 0.479 622 A N 4.569 127.312 122.820 -0.129 0.000 2.310 622 A HA 0.417 4.736 4.320 -0.001 0.000 0.299 622 A C -0.618 177.085 177.584 0.199 0.000 1.147 622 A CA -0.656 51.371 52.037 -0.016 0.000 0.818 622 A CB 0.671 19.611 19.000 -0.100 0.000 1.096 622 A HN 0.873 nan 8.150 nan 0.000 0.495 623 R N 1.915 122.654 120.500 0.399 0.000 2.409 623 R HA 0.599 4.938 4.340 -0.001 0.000 0.313 623 R C -1.885 174.672 176.300 0.429 0.000 0.953 623 R CA -0.228 56.097 56.100 0.375 0.000 0.849 623 R CB 1.345 31.853 30.300 0.346 0.000 1.171 623 R HN 0.501 nan 8.270 nan 0.000 0.458 624 V N 6.175 126.295 119.914 0.342 0.000 2.656 624 V HA 0.478 4.597 4.120 -0.001 0.000 0.307 624 V C -2.239 173.783 176.094 -0.120 0.000 1.051 624 V CA -2.340 60.063 62.300 0.172 0.000 0.893 624 V CB 1.880 33.774 31.823 0.118 0.000 0.999 624 V HN 0.783 nan 8.190 nan 0.000 0.426 625 P HA 0.219 nan 4.420 nan 0.000 0.271 625 P C -2.758 174.058 177.300 -0.807 0.000 1.244 625 P CA -1.375 60.820 63.100 -1.508 0.000 0.793 625 P CB -0.307 30.660 31.700 -1.221 0.000 0.984 626 P HA 0.110 nan 4.420 nan 0.000 0.267 626 P C 0.098 177.351 177.300 -0.078 0.000 1.205 626 P CA 0.482 63.388 63.100 -0.323 0.000 0.765 626 P CB -0.189 31.392 31.700 -0.197 0.000 0.828 627 M N 0.339 119.934 119.600 -0.008 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.566 177.068 176.300 0.336 0.000 0.342 627 M CA 0.974 56.408 55.300 0.223 0.000 0.417 627 M CB -1.983 30.832 32.600 0.358 0.000 1.338 627 M HN 0.619 nan 8.290 nan 0.000 0.920 628 G N -0.279 108.575 108.800 0.089 0.000 3.135 628 G HA2 0.926 4.885 3.960 -0.001 0.000 0.278 628 G HA3 0.926 4.885 3.960 -0.001 0.000 0.278 628 G C -1.361 173.679 174.900 0.233 0.000 1.302 628 G CA -0.951 44.193 45.100 0.074 0.000 0.880 628 G HN 0.177 nan 8.290 nan 0.000 0.574 629 L N -0.394 120.945 121.223 0.193 0.000 2.388 629 L HA 0.795 5.135 4.340 -0.001 0.000 0.264 629 L C -0.273 176.696 176.870 0.166 0.000 0.998 629 L CA -1.036 53.946 54.840 0.237 0.000 0.817 629 L CB 2.441 44.650 42.059 0.249 0.000 1.338 629 L HN 0.760 nan 8.230 nan 0.000 0.414 630 A N 0.841 123.799 122.820 0.231 0.000 2.422 630 A HA 0.804 5.123 4.320 -0.001 0.000 0.302 630 A C -0.803 176.938 177.584 0.262 0.000 1.041 630 A CA -0.443 51.716 52.037 0.203 0.000 0.708 630 A CB 1.770 20.945 19.000 0.293 0.000 1.257 630 A HN 0.552 nan 8.150 nan 0.000 0.414 631 T N 2.172 116.783 114.554 0.094 0.000 2.794 631 T HA 0.644 4.993 4.350 -0.001 0.000 0.280 631 T C -1.121 173.524 174.700 -0.093 0.000 0.987 631 T CA 0.251 62.451 62.100 0.167 0.000 0.993 631 T CB 0.299 69.263 68.868 0.159 0.000 0.939 631 T HN 0.435 nan 8.240 nan 0.000 0.449 632 Y N 0.511 120.906 120.300 0.159 0.000 2.605 632 Y HA 0.666 5.216 4.550 -0.001 0.000 0.343 632 Y C -0.316 175.515 175.900 -0.114 0.000 1.036 632 Y CA -1.139 56.968 58.100 0.013 0.000 1.065 632 Y CB 1.715 40.198 38.460 0.038 0.000 1.288 632 Y HN 0.303 nan 8.280 nan 0.000 0.481 633 V N 3.273 123.146 119.914 -0.068 0.000 2.540 633 V HA 0.425 4.544 4.120 -0.001 0.000 0.302 633 V C -0.752 175.271 176.094 -0.117 0.000 1.035 633 V CA -0.954 61.235 62.300 -0.184 0.000 0.873 633 V CB 1.757 33.397 31.823 -0.304 0.000 0.992 633 V HN 0.494 nan 8.190 nan 0.000 0.428 634 L N 4.006 125.188 121.223 -0.068 0.000 2.287 634 L HA 0.637 4.976 4.340 -0.001 0.000 0.287 634 L C -0.099 176.778 176.870 0.013 0.000 1.022 634 L CA -0.088 54.731 54.840 -0.035 0.000 0.814 634 L CB 1.743 43.798 42.059 -0.006 0.000 1.217 634 L HN 0.615 nan 8.230 nan 0.000 0.420 635 T N 3.920 118.486 114.554 0.020 0.000 2.841 635 T HA 0.479 4.828 4.350 -0.001 0.000 0.283 635 T C -0.176 174.567 174.700 0.072 0.000 1.000 635 T CA -0.363 61.764 62.100 0.044 0.000 0.977 635 T CB 2.419 71.302 68.868 0.026 0.000 0.979 635 T HN 0.380 nan 8.240 nan 0.000 0.446 636 I N 2.783 123.404 120.570 0.086 0.000 2.677 636 I HA 0.620 4.790 4.170 -0.001 0.000 0.305 636 I C 0.181 176.358 176.117 0.101 0.000 0.988 636 I CA -0.009 61.358 61.300 0.111 0.000 1.260 636 I CB 1.016 39.086 38.000 0.117 0.000 1.410 636 I HN 0.850 nan 8.210 nan 0.000 0.523 637 S N 2.105 117.881 115.700 0.127 0.000 2.720 637 S HA 0.348 4.817 4.470 -0.001 0.000 0.287 637 S C -0.227 174.403 174.600 0.050 0.000 1.168 637 S CA -0.334 57.909 58.200 0.072 0.000 0.832 637 S CB 1.481 64.712 63.200 0.052 0.000 1.166 637 S HN 0.718 nan 8.310 nan 0.000 0.493 638 D N 0.270 120.640 120.400 -0.050 0.000 2.305 638 D HA 0.182 4.821 4.640 -0.001 0.000 0.206 638 D C 0.954 176.987 176.300 -0.445 0.000 0.974 638 D CA 0.714 54.635 54.000 -0.132 0.000 0.871 638 D CB -0.019 40.721 40.800 -0.101 0.000 0.947 638 D HN 0.649 nan 8.370 nan 0.000 0.516 639 S N -1.535 113.863 115.700 -0.502 0.000 2.794 639 S HA 0.398 4.868 4.470 -0.001 0.000 0.299 639 S C -0.641 173.628 174.600 -0.551 0.000 1.179 639 S CA -1.305 56.388 58.200 -0.846 0.000 0.838 639 S CB 1.156 64.085 63.200 -0.452 0.000 1.206 639 S HN -0.054 nan 8.310 nan 0.000 0.523 640 K N 1.755 121.933 120.400 -0.370 0.000 2.504 640 K HA 0.168 4.487 4.320 -0.001 0.000 0.278 640 K C -2.435 174.216 176.600 0.085 0.000 1.025 640 K CA -0.396 55.944 56.287 0.088 0.000 1.093 640 K CB -0.496 32.069 32.500 0.108 0.000 0.873 640 K HN 0.368 nan 8.250 nan 0.000 0.483 641 P HA 0.043 nan 4.420 nan 0.000 0.281 641 P C 0.403 177.734 177.300 0.052 0.000 1.249 641 P CA -0.500 62.660 63.100 0.100 0.000 0.810 641 P CB 0.884 32.663 31.700 0.133 0.000 1.008 642 E N 0.838 121.027 120.200 -0.019 0.000 2.118 642 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 642 E C 0.531 176.952 176.600 -0.299 0.000 0.992 642 E CA 1.227 57.519 56.400 -0.180 0.000 0.804 642 E CB -0.034 29.487 29.700 -0.299 0.000 0.741 642 E HN 0.497 nan 8.360 nan 0.000 0.458 643 H N -0.651 118.435 119.070 0.027 0.000 2.505 643 H HA 0.202 4.757 4.556 -0.001 0.000 0.289 643 H C -0.372 174.957 175.328 0.002 0.000 1.052 643 H CA 0.251 56.309 56.048 0.016 0.000 1.156 643 H CB 0.636 30.405 29.762 0.012 0.000 1.507 643 H HN -0.048 nan 8.280 nan 0.000 0.548 644 T N 1.491 116.076 114.554 0.051 0.000 2.812 644 T HA 0.311 4.660 4.350 -0.001 0.000 0.282 644 T C 0.307 174.903 174.700 -0.174 0.000 0.990 644 T CA -0.706 61.359 62.100 -0.057 0.000 0.960 644 T CB 2.094 70.921 68.868 -0.068 0.000 0.948 644 T HN 0.266 nan 8.240 nan 0.000 0.438 645 S N 2.378 117.926 115.700 -0.252 0.000 2.718 645 S HA 0.785 5.255 4.470 -0.001 0.000 0.300 645 S C -1.355 172.897 174.600 -0.580 0.000 1.117 645 S CA -0.821 57.243 58.200 -0.228 0.000 1.002 645 S CB 0.858 64.031 63.200 -0.045 0.000 1.092 645 S HN 0.563 nan 8.310 nan 0.000 0.542 646 Y N -0.060 120.259 120.300 0.031 0.000 2.409 646 Y HA 0.663 5.213 4.550 -0.001 0.000 0.343 646 Y C 0.572 176.541 175.900 0.115 0.000 0.973 646 Y CA -0.791 57.325 58.100 0.026 0.000 1.064 646 Y CB 1.700 40.061 38.460 -0.165 0.000 1.207 646 Y HN 1.027 nan 8.280 nan 0.000 0.452 647 A N 1.842 124.859 122.820 0.328 0.000 2.371 647 A HA 0.548 4.868 4.320 -0.001 0.000 0.257 647 A C 0.109 177.888 177.584 0.325 0.000 1.089 647 A CA -0.431 51.776 52.037 0.283 0.000 0.794 647 A CB -0.029 19.133 19.000 0.271 0.000 1.029 647 A HN 0.756 nan 8.150 nan 0.000 0.488 648 S N 2.054 117.880 115.700 0.211 0.000 2.616 648 S HA 0.566 5.035 4.470 -0.001 0.000 0.277 648 S C -0.399 174.289 174.600 0.147 0.000 1.234 648 S CA -0.937 57.373 58.200 0.183 0.000 1.028 648 S CB 0.832 64.099 63.200 0.111 0.000 0.988 648 S HN 0.670 nan 8.310 nan 0.000 0.522 649 N N 0.640 119.408 118.700 0.114 0.000 2.249 649 N HA 0.520 5.259 4.740 -0.001 0.000 0.296 649 N C -1.889 173.557 175.510 -0.108 0.000 1.051 649 N CA -0.533 52.531 53.050 0.023 0.000 0.815 649 N CB 2.034 40.609 38.487 0.147 0.000 1.487 649 N HN 0.603 nan 8.380 nan 0.000 0.475 650 L N 2.497 123.608 121.223 -0.186 0.000 2.404 650 L HA 0.474 4.813 4.340 -0.001 0.000 0.272 650 L C -1.521 175.179 176.870 -0.283 0.000 0.980 650 L CA -0.553 54.151 54.840 -0.228 0.000 0.836 650 L CB 1.449 43.435 42.059 -0.121 0.000 1.238 650 L HN 0.403 nan 8.230 nan 0.000 0.408 651 L N 6.685 127.685 121.223 -0.371 0.000 2.265 651 L HA 0.459 4.798 4.340 -0.001 0.000 0.289 651 L C -1.143 175.699 176.870 -0.047 0.000 1.033 651 L CA -0.336 54.359 54.840 -0.243 0.000 0.814 651 L CB 1.158 43.070 42.059 -0.244 0.000 1.203 651 L HN 0.674 nan 8.230 nan 0.000 0.423 652 L N 7.233 128.448 121.223 -0.014 0.000 2.262 652 L HA 0.571 4.910 4.340 -0.001 0.000 0.288 652 L C -0.138 176.776 176.870 0.072 0.000 1.035 652 L CA -0.489 54.376 54.840 0.041 0.000 0.820 652 L CB 0.937 43.011 42.059 0.025 0.000 1.204 652 L HN 0.650 nan 8.230 nan 0.000 0.424 653 R N 2.005 122.560 120.500 0.092 0.000 2.739 653 R HA 0.421 4.760 4.340 -0.001 0.000 0.266 653 R C -1.624 174.718 176.300 0.070 0.000 1.044 653 R CA -1.079 55.071 56.100 0.083 0.000 0.885 653 R CB 1.339 31.693 30.300 0.089 0.000 1.260 653 R HN 0.208 nan 8.270 nan 0.000 0.477 654 K N 1.527 121.957 120.400 0.049 0.000 2.168 654 K HA 0.182 4.501 4.320 -0.001 0.000 0.258 654 K C -0.355 176.252 176.600 0.013 0.000 1.010 654 K CA -0.500 55.806 56.287 0.032 0.000 0.929 654 K CB 0.313 32.828 32.500 0.026 0.000 0.998 654 K HN 0.725 nan 8.250 nan 0.000 0.479 655 N N 1.621 120.318 118.700 -0.005 0.000 2.642 655 N HA -0.125 4.614 4.740 -0.001 0.000 0.269 655 N C -2.415 173.061 175.510 -0.058 0.000 1.073 655 N CA 0.406 53.435 53.050 -0.034 0.000 0.748 655 N CB -1.072 37.395 38.487 -0.032 0.000 0.894 655 N HN 0.502 nan 8.380 nan 0.000 0.548 656 P HA 0.276 nan 4.420 nan 0.000 0.276 656 P C -0.018 177.116 177.300 -0.276 0.000 1.252 656 P CA -0.041 62.978 63.100 -0.136 0.000 0.802 656 P CB 1.452 33.082 31.700 -0.116 0.000 1.035 657 T N -0.482 113.898 114.554 -0.290 0.000 2.906 657 T HA 0.414 4.763 4.350 -0.001 0.000 0.295 657 T C -0.085 174.423 174.700 -0.320 0.000 1.075 657 T CA -0.442 61.501 62.100 -0.263 0.000 1.005 657 T CB 0.642 69.434 68.868 -0.125 0.000 1.136 657 T HN 0.531 nan 8.240 nan 0.000 0.498 658 S N 2.744 118.309 115.700 -0.225 0.000 2.566 658 S HA 0.419 4.888 4.470 -0.001 0.000 0.280 658 S C -0.293 174.416 174.600 0.181 0.000 1.343 658 S CA -0.398 57.778 58.200 -0.040 0.000 1.036 658 S CB -0.065 63.133 63.200 -0.003 0.000 0.866 658 S HN 0.601 nan 8.310 nan 0.000 0.526 659 L N 2.946 124.385 121.223 0.359 0.000 2.492 659 L HA 0.404 4.743 4.340 -0.001 0.000 0.258 659 L C -2.295 174.694 176.870 0.199 0.000 1.028 659 L CA -1.580 53.434 54.840 0.290 0.000 0.900 659 L CB 1.995 44.301 42.059 0.411 0.000 1.191 659 L HN 0.639 nan 8.230 nan 0.000 0.459 660 P HA 0.266 nan 4.420 nan 0.000 0.278 660 P C -0.532 176.774 177.300 0.010 0.000 1.238 660 P CA -0.344 62.802 63.100 0.075 0.000 0.794 660 P CB 1.707 33.441 31.700 0.056 0.000 0.955 661 L N 1.685 122.923 121.223 0.026 0.000 2.892 661 L HA 0.316 4.655 4.340 -0.001 0.000 0.251 661 L C 1.519 178.454 176.870 0.108 0.000 1.339 661 L CA -0.421 54.404 54.840 -0.025 0.000 0.900 661 L CB 0.088 42.108 42.059 -0.065 0.000 1.246 661 L HN 0.709 nan 8.230 nan 0.000 0.524 662 G N 0.875 109.713 108.800 0.063 0.000 2.698 662 G HA2 -0.420 3.539 3.960 -0.001 0.000 0.337 662 G HA3 -0.420 3.539 3.960 -0.001 0.000 0.337 662 G C 0.694 175.681 174.900 0.145 0.000 1.286 662 G CA 0.844 46.010 45.100 0.109 0.000 1.000 662 G HN 0.550 nan 8.290 nan 0.000 0.547 663 Q N -0.463 119.451 119.800 0.190 0.000 2.444 663 Q HA 0.175 4.514 4.340 -0.001 0.000 0.206 663 Q C 0.630 176.540 176.000 -0.149 0.000 0.948 663 Q CA -0.085 55.724 55.803 0.010 0.000 0.946 663 Q CB 0.226 28.900 28.738 -0.107 0.000 1.027 663 Q HN 0.494 nan 8.270 nan 0.000 0.513 664 Y N 2.310 122.513 120.300 -0.161 0.000 2.810 664 Y HA -0.087 4.463 4.550 -0.001 0.000 0.332 664 Y C -1.643 174.144 175.900 -0.187 0.000 1.243 664 Y CA -1.429 56.529 58.100 -0.236 0.000 1.537 664 Y CB 0.606 39.063 38.460 -0.005 0.000 1.265 664 Y HN 0.048 nan 8.280 nan 0.000 0.572 665 P HA -0.176 nan 4.420 nan 0.000 0.208 665 P C -0.465 176.704 177.300 -0.218 0.000 1.195 665 P CA 1.138 63.969 63.100 -0.447 0.000 0.927 665 P CB 0.006 31.278 31.700 -0.712 0.000 0.778 666 E N 0.877 120.933 120.200 -0.240 0.000 2.384 666 E HA -0.003 4.346 4.350 -0.001 0.000 0.266 666 E C -0.441 176.272 176.600 0.188 0.000 1.012 666 E CA -0.242 56.173 56.400 0.025 0.000 0.901 666 E CB -0.057 29.696 29.700 0.089 0.000 0.967 666 E HN 0.080 nan 8.360 nan 0.000 0.435 667 D N 3.027 123.508 120.400 0.134 0.000 2.345 667 D HA 0.094 4.733 4.640 -0.001 0.000 0.247 667 D C -0.341 176.036 176.300 0.129 0.000 1.108 667 D CA -0.283 53.806 54.000 0.148 0.000 0.894 667 D CB 1.353 42.225 40.800 0.121 0.000 1.203 667 D HN 0.170 nan 8.370 nan 0.000 0.430 668 V N 2.707 122.687 119.914 0.110 0.000 2.715 668 V HA 0.025 4.144 4.120 -0.001 0.000 0.299 668 V C 0.906 176.872 176.094 -0.215 0.000 1.054 668 V CA 0.146 62.414 62.300 -0.053 0.000 1.077 668 V CB 0.664 32.428 31.823 -0.098 0.000 0.972 668 V HN 0.299 nan 8.190 nan 0.000 0.484 669 K N 2.837 123.038 120.400 -0.331 0.000 2.166 669 K HA 0.660 4.979 4.320 -0.001 0.000 0.245 669 K C -1.324 174.904 176.600 -0.619 0.000 0.967 669 K CA -0.397 55.731 56.287 -0.266 0.000 0.863 669 K CB 1.700 34.152 32.500 -0.080 0.000 1.107 669 K HN 0.428 nan 8.250 nan 0.000 0.436 670 F N -0.729 119.236 119.950 0.024 0.000 2.611 670 F HA 0.680 5.206 4.527 -0.001 0.000 0.324 670 F C 0.526 176.333 175.800 0.012 0.000 1.061 670 F CA -0.624 57.383 58.000 0.011 0.000 0.954 670 F CB 2.515 41.522 39.000 0.012 0.000 1.301 670 F HN 0.606 nan 8.300 nan 0.000 0.482 671 G N 0.211 109.128 108.800 0.194 0.000 2.547 671 G HA2 0.379 4.339 3.960 -0.001 0.000 0.291 671 G HA3 0.379 4.339 3.960 -0.001 0.000 0.291 671 G C -2.211 172.746 174.900 0.094 0.000 1.471 671 G CA -0.877 44.292 45.100 0.114 0.000 0.798 671 G HN 0.373 nan 8.290 nan 0.000 0.504 672 D N 0.643 121.086 120.400 0.070 0.000 2.344 672 D HA 0.396 5.035 4.640 -0.001 0.000 0.244 672 D C -2.004 174.329 176.300 0.055 0.000 1.134 672 D CA -0.669 53.366 54.000 0.059 0.000 0.930 672 D CB 1.057 41.885 40.800 0.047 0.000 1.175 672 D HN 0.009 nan 8.370 nan 0.000 0.437 673 P HA 0.068 nan 4.420 nan 0.000 0.265 673 P C -0.422 176.909 177.300 0.052 0.000 1.187 673 P CA 0.457 63.590 63.100 0.055 0.000 0.766 673 P CB 0.444 32.179 31.700 0.058 0.000 0.820 674 R N 0.220 120.753 120.500 0.055 0.000 2.728 674 R HA 0.408 4.747 4.340 -0.001 0.000 0.274 674 R C -1.223 175.118 176.300 0.068 0.000 1.032 674 R CA -1.023 55.109 56.100 0.054 0.000 0.866 674 R CB 1.027 31.354 30.300 0.046 0.000 1.263 674 R HN 0.227 nan 8.270 nan 0.000 0.475 675 E N 1.866 122.106 120.200 0.067 0.000 2.383 675 E HA 0.310 4.660 4.350 -0.001 0.000 0.264 675 E C -0.030 176.630 176.600 0.100 0.000 1.050 675 E CA -0.251 56.204 56.400 0.091 0.000 0.896 675 E CB 1.163 30.901 29.700 0.063 0.000 0.982 675 E HN 0.467 nan 8.360 nan 0.000 0.424 676 I N -2.139 118.525 120.570 0.158 0.000 2.865 676 I HA 0.577 4.746 4.170 -0.001 0.000 0.302 676 I C -0.827 175.442 176.117 0.252 0.000 1.140 676 I CA -0.766 60.629 61.300 0.158 0.000 1.021 676 I CB 2.503 40.566 38.000 0.105 0.000 1.233 676 I HN 0.187 nan 8.210 nan 0.000 0.427 677 S N 4.568 120.384 115.700 0.193 0.000 2.542 677 S HA 0.820 5.290 4.470 -0.001 0.000 0.293 677 S C -0.764 173.955 174.600 0.199 0.000 1.089 677 S CA -0.651 57.679 58.200 0.216 0.000 0.961 677 S CB 1.938 65.217 63.200 0.131 0.000 1.062 677 S HN 0.519 nan 8.310 nan 0.000 0.483 678 L N 2.061 123.429 121.223 0.242 0.000 2.409 678 L HA 0.677 5.017 4.340 -0.001 0.000 0.262 678 L C -0.498 176.467 176.870 0.159 0.000 0.992 678 L CA -0.681 54.270 54.840 0.185 0.000 0.817 678 L CB 2.351 44.534 42.059 0.207 0.000 1.350 678 L HN 0.496 nan 8.230 nan 0.000 0.411 679 R N 1.568 122.136 120.500 0.114 0.000 2.510 679 R HA 0.660 4.999 4.340 -0.001 0.000 0.287 679 R C -2.013 174.333 176.300 0.077 0.000 1.084 679 R CA -0.472 55.683 56.100 0.092 0.000 0.934 679 R CB 2.330 32.675 30.300 0.076 0.000 1.201 679 R HN 0.400 nan 8.270 nan 0.000 0.431 680 V N 4.634 124.591 119.914 0.073 0.000 2.435 680 V HA 0.567 4.686 4.120 -0.001 0.000 0.290 680 V C 1.057 177.183 176.094 0.052 0.000 1.030 680 V CA 0.594 62.932 62.300 0.063 0.000 0.881 680 V CB 1.160 33.022 31.823 0.064 0.000 0.983 680 V HN 1.107 nan 8.190 nan 0.000 0.445 681 G N 4.958 113.787 108.800 0.048 0.000 2.614 681 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.303 681 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.303 681 G C 0.747 175.668 174.900 0.035 0.000 1.270 681 G CA 0.741 45.865 45.100 0.041 0.000 0.988 681 G HN 0.677 nan 8.290 nan 0.000 0.551 682 N N 2.209 120.926 118.700 0.029 0.000 2.467 682 N HA 0.072 4.811 4.740 -0.001 0.000 0.184 682 N C 1.658 177.180 175.510 0.020 0.000 1.106 682 N CA 0.718 53.782 53.050 0.022 0.000 0.892 682 N CB -0.021 38.476 38.487 0.017 0.000 0.969 682 N HN 0.824 nan 8.380 nan 0.000 0.454 683 G N 2.682 111.498 108.800 0.027 0.000 2.680 683 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.274 683 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.274 683 G C -2.190 172.724 174.900 0.023 0.000 1.292 683 G CA -0.519 44.597 45.100 0.026 0.000 1.007 683 G HN 0.053 nan 8.290 nan 0.000 0.578 684 P HA 0.173 nan 4.420 nan 0.000 0.272 684 P C -0.485 176.837 177.300 0.035 0.000 1.240 684 P CA 0.033 63.141 63.100 0.013 0.000 0.791 684 P CB 0.831 32.536 31.700 0.007 0.000 0.978 685 T N 2.329 116.901 114.554 0.030 0.000 2.758 685 T HA 0.464 4.813 4.350 -0.001 0.000 0.285 685 T C 0.005 174.744 174.700 0.064 0.000 0.981 685 T CA -0.402 61.739 62.100 0.068 0.000 0.965 685 T CB 0.148 69.064 68.868 0.080 0.000 0.927 685 T HN 0.178 nan 8.240 nan 0.000 0.448 686 L N 2.690 123.960 121.223 0.079 0.000 2.307 686 L HA 0.797 5.136 4.340 -0.001 0.000 0.284 686 L C 0.240 177.060 176.870 -0.083 0.000 1.023 686 L CA -1.164 53.645 54.840 -0.053 0.000 0.810 686 L CB 1.431 43.440 42.059 -0.085 0.000 1.231 686 L HN 0.624 nan 8.230 nan 0.000 0.423 687 A N 3.177 125.853 122.820 -0.240 0.000 2.330 687 A HA 0.865 5.184 4.320 -0.001 0.000 0.327 687 A C -1.167 176.182 177.584 -0.392 0.000 1.155 687 A CA -0.303 51.652 52.037 -0.138 0.000 0.803 687 A CB 0.737 19.690 19.000 -0.079 0.000 1.208 687 A HN 0.503 nan 8.150 nan 0.000 0.477 688 F N 0.896 120.888 119.950 0.071 0.000 2.546 688 F HA 0.524 5.050 4.527 -0.001 0.000 0.320 688 F C 1.080 176.928 175.800 0.080 0.000 1.076 688 F CA -0.342 57.717 58.000 0.098 0.000 0.928 688 F CB 2.144 41.203 39.000 0.100 0.000 1.189 688 F HN 0.672 nan 8.300 nan 0.000 0.465 689 S N 0.203 116.062 115.700 0.265 0.000 2.596 689 S HA 0.081 4.551 4.470 -0.001 0.000 0.260 689 S C 1.031 175.737 174.600 0.176 0.000 1.336 689 S CA -0.055 58.249 58.200 0.174 0.000 0.993 689 S CB 0.664 63.966 63.200 0.169 0.000 0.923 689 S HN 0.852 nan 8.310 nan 0.000 0.567 690 E N -0.040 120.231 120.200 0.119 0.000 2.409 690 E HA -0.191 4.158 4.350 -0.001 0.000 0.198 690 E C 1.455 178.120 176.600 0.109 0.000 1.024 690 E CA 0.957 57.417 56.400 0.101 0.000 0.861 690 E CB -0.368 29.375 29.700 0.072 0.000 0.788 690 E HN 0.787 nan 8.360 nan 0.000 0.521 691 Q N -0.129 119.751 119.800 0.133 0.000 2.360 691 Q HA 0.158 4.497 4.340 -0.001 0.000 0.202 691 Q C 0.870 176.964 176.000 0.157 0.000 0.915 691 Q CA 0.447 56.329 55.803 0.132 0.000 0.943 691 Q CB 0.816 29.638 28.738 0.139 0.000 1.064 691 Q HN 0.529 nan 8.270 nan 0.000 0.511 692 G N 0.429 109.347 108.800 0.196 0.000 2.141 692 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.242 692 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.242 692 G C -0.219 174.913 174.900 0.386 0.000 0.982 692 G CA -0.217 45.008 45.100 0.209 0.000 0.662 692 G HN 0.226 nan 8.290 nan 0.000 0.527 693 L N 0.112 121.592 121.223 0.429 0.000 2.325 693 L HA 0.691 5.030 4.340 -0.001 0.000 0.278 693 L C 0.857 178.016 176.870 0.482 0.000 1.023 693 L CA -1.390 53.743 54.840 0.489 0.000 0.811 693 L CB 1.508 43.760 42.059 0.321 0.000 1.249 693 L HN 0.137 nan 8.230 nan 0.000 0.431 694 L N 2.868 124.349 121.223 0.430 0.000 2.543 694 L HA -0.049 4.290 4.340 -0.001 0.000 0.285 694 L C 0.905 177.830 176.870 0.090 0.000 1.236 694 L CA 1.116 55.953 54.840 -0.005 0.000 0.871 694 L CB 0.113 42.207 42.059 0.059 0.000 1.121 694 L HN 0.701 nan 8.230 nan 0.000 0.501 695 K N 1.176 121.533 120.400 -0.072 0.000 2.443 695 K HA 0.236 4.555 4.320 -0.001 0.000 0.200 695 K C -0.342 176.202 176.600 -0.092 0.000 1.278 695 K CA 0.610 56.888 56.287 -0.015 0.000 0.925 695 K CB 0.509 32.984 32.500 -0.042 0.000 1.225 695 K HN 0.842 nan 8.250 nan 0.000 0.514 696 S N -0.411 115.207 115.700 -0.137 0.000 2.588 696 S HA 0.530 4.999 4.470 -0.001 0.000 0.269 696 S C -0.987 173.559 174.600 -0.091 0.000 1.157 696 S CA -1.025 57.120 58.200 -0.092 0.000 0.824 696 S CB 1.498 64.687 63.200 -0.018 0.000 1.126 696 S HN 0.084 nan 8.310 nan 0.000 0.464 697 I N 1.209 121.748 120.570 -0.051 0.000 2.499 697 I HA 0.458 4.627 4.170 -0.001 0.000 0.288 697 I C -0.738 175.355 176.117 -0.041 0.000 1.048 697 I CA -0.363 60.908 61.300 -0.048 0.000 1.062 697 I CB 2.189 40.147 38.000 -0.070 0.000 1.238 697 I HN 0.766 nan 8.210 nan 0.000 0.426 698 Q N 6.197 125.966 119.800 -0.051 0.000 2.357 698 Q HA 0.424 4.763 4.340 -0.001 0.000 0.266 698 Q C -0.031 175.909 176.000 -0.099 0.000 1.021 698 Q CA -0.562 55.146 55.803 -0.158 0.000 0.784 698 Q CB 1.696 30.219 28.738 -0.357 0.000 1.243 698 Q HN 0.784 nan 8.270 nan 0.000 0.465 699 L N 1.943 123.111 121.223 -0.091 0.000 2.017 699 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 699 L C 1.068 177.907 176.870 -0.052 0.000 1.073 699 L CA 1.442 56.246 54.840 -0.060 0.000 0.745 699 L CB -0.406 41.619 42.059 -0.056 0.000 0.894 699 L HN 0.683 nan 8.230 nan 0.000 0.432 700 T N -5.557 108.957 114.554 -0.068 0.000 2.916 700 T HA 0.133 4.482 4.350 -0.001 0.000 0.292 700 T C 0.344 175.006 174.700 -0.064 0.000 1.055 700 T CA -0.718 61.352 62.100 -0.050 0.000 1.009 700 T CB 2.303 71.146 68.868 -0.042 0.000 1.118 700 T HN 0.000 nan 8.240 nan 0.000 0.497 701 Q N 0.360 120.137 119.800 -0.038 0.000 2.308 701 Q HA -0.196 4.143 4.340 -0.001 0.000 0.209 701 Q C 1.181 177.154 176.000 -0.044 0.000 0.985 701 Q CA 2.186 57.971 55.803 -0.031 0.000 0.881 701 Q CB -0.054 28.680 28.738 -0.006 0.000 0.917 701 Q HN 0.833 nan 8.270 nan 0.000 0.443 702 D N -1.184 119.187 120.400 -0.048 0.000 2.389 702 D HA -0.024 4.615 4.640 -0.001 0.000 0.206 702 D C 0.654 176.913 176.300 -0.067 0.000 1.055 702 D CA 0.318 54.291 54.000 -0.044 0.000 0.856 702 D CB -0.097 40.688 40.800 -0.025 0.000 0.957 702 D HN 0.102 nan 8.370 nan 0.000 0.509 703 S N 1.418 117.061 115.700 -0.095 0.000 2.608 703 S HA 0.365 4.834 4.470 -0.001 0.000 0.261 703 S C -2.212 172.287 174.600 -0.168 0.000 1.314 703 S CA -0.985 57.152 58.200 -0.105 0.000 0.992 703 S CB 0.819 63.961 63.200 -0.097 0.000 0.935 703 S HN -0.006 nan 8.310 nan 0.000 0.564 704 P HA 0.149 nan 4.420 nan 0.000 0.274 704 P C -0.804 176.387 177.300 -0.181 0.000 1.237 704 P CA -0.264 62.771 63.100 -0.109 0.000 0.793 704 P CB 0.230 31.913 31.700 -0.029 0.000 0.977 705 H N 0.475 119.531 119.070 -0.025 0.000 2.969 705 H HA 0.178 4.733 4.556 -0.001 0.000 0.269 705 H C -0.101 175.195 175.328 -0.054 0.000 1.223 705 H CA -0.438 55.586 56.048 -0.040 0.000 1.400 705 H CB 0.031 29.771 29.762 -0.037 0.000 1.500 705 H HN 0.097 nan 8.280 nan 0.000 0.486 706 V N 6.760 126.676 119.914 0.003 0.000 2.479 706 V HA 0.028 4.147 4.120 -0.001 0.000 0.281 706 V C -1.861 174.188 176.094 -0.075 0.000 1.031 706 V CA -1.357 60.922 62.300 -0.035 0.000 1.038 706 V CB 0.478 32.270 31.823 -0.053 0.000 0.981 706 V HN 0.527 nan 8.190 nan 0.000 0.478 707 P HA 0.165 nan 4.420 nan 0.000 0.266 707 P C -0.753 176.413 177.300 -0.224 0.000 1.215 707 P CA 0.302 63.261 63.100 -0.234 0.000 0.763 707 P CB 0.469 31.869 31.700 -0.500 0.000 0.806 708 V N 4.100 123.909 119.914 -0.175 0.000 2.614 708 V HA 0.181 4.301 4.120 -0.001 0.000 0.281 708 V C -0.819 175.180 176.094 -0.159 0.000 1.031 708 V CA -0.432 61.752 62.300 -0.194 0.000 0.899 708 V CB 1.095 32.792 31.823 -0.210 0.000 1.037 708 V HN 0.536 nan 8.190 nan 0.000 0.456 709 H N 4.429 123.341 119.070 -0.262 0.000 2.511 709 H HA 0.683 5.238 4.556 -0.001 0.000 0.328 709 H C -1.198 174.007 175.328 -0.206 0.000 1.044 709 H CA -0.761 55.175 56.048 -0.187 0.000 1.212 709 H CB 1.039 30.733 29.762 -0.114 0.000 1.428 709 H HN 0.390 nan 8.280 nan 0.000 0.483 710 F N 3.969 123.559 119.950 -0.600 0.000 2.384 710 F HA 0.394 4.920 4.527 -0.001 0.000 0.338 710 F C 0.337 175.592 175.800 -0.908 0.000 1.103 710 F CA -0.087 57.555 58.000 -0.598 0.000 1.157 710 F CB 0.975 39.765 39.000 -0.350 0.000 1.167 710 F HN 0.460 nan 8.300 nan 0.000 0.529 711 K N 3.163 123.296 120.400 -0.445 0.000 2.523 711 K HA 0.484 4.803 4.320 -0.001 0.000 0.257 711 K C -2.012 174.352 176.600 -0.393 0.000 0.932 711 K CA -0.565 55.532 56.287 -0.316 0.000 0.812 711 K CB 1.376 33.778 32.500 -0.163 0.000 1.326 711 K HN 0.402 nan 8.250 nan 0.000 0.433 712 F N 4.001 123.885 119.950 -0.110 0.000 2.458 712 F HA 0.496 5.022 4.527 -0.001 0.000 0.336 712 F C -0.421 175.342 175.800 -0.062 0.000 1.114 712 F CA -0.595 57.350 58.000 -0.091 0.000 0.987 712 F CB 1.209 40.138 39.000 -0.118 0.000 1.130 712 F HN 0.242 nan 8.300 nan 0.000 0.458 713 L N 2.711 123.982 121.223 0.080 0.000 2.277 713 L HA 0.653 4.992 4.340 -0.001 0.000 0.254 713 L C -1.015 175.848 176.870 -0.012 0.000 1.044 713 L CA -1.021 53.815 54.840 -0.007 0.000 0.842 713 L CB 2.162 44.154 42.059 -0.111 0.000 1.422 713 L HN 0.510 nan 8.230 nan 0.000 0.422 714 K N -0.620 119.732 120.400 -0.080 0.000 2.464 714 K HA 0.651 4.971 4.320 -0.001 0.000 0.253 714 K C -1.859 174.673 176.600 -0.112 0.000 0.933 714 K CA -0.805 55.465 56.287 -0.027 0.000 0.801 714 K CB 1.816 34.338 32.500 0.037 0.000 1.271 714 K HN 0.304 nan 8.250 nan 0.000 0.430 715 Y N 0.442 120.805 120.300 0.104 0.000 2.420 715 Y HA 0.523 5.072 4.550 -0.001 0.000 0.334 715 Y C 0.923 176.886 175.900 0.104 0.000 1.094 715 Y CA 0.030 58.207 58.100 0.127 0.000 1.126 715 Y CB 2.305 40.910 38.460 0.241 0.000 1.217 715 Y HN 0.932 nan 8.280 nan 0.000 0.462 716 G N 0.654 109.609 108.800 0.257 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 -1.414 173.571 174.900 0.141 0.000 1.351 716 G CA -0.736 44.460 45.100 0.160 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.221 119.746 119.914 0.088 0.000 2.914 717 V HA 0.463 4.582 4.120 -0.001 0.000 0.314 717 V C -0.064 176.045 176.094 0.025 0.000 1.084 717 V CA -0.889 61.443 62.300 0.054 0.000 0.963 717 V CB 1.955 33.810 31.823 0.053 0.000 1.025 717 V HN 0.676 nan 8.190 nan 0.000 0.432 718 R N 1.339 121.829 120.500 -0.016 0.000 2.537 718 R HA 0.186 4.525 4.340 -0.001 0.000 0.280 718 R C 1.193 177.488 176.300 -0.008 0.000 1.058 718 R CA 0.381 56.450 56.100 -0.051 0.000 1.057 718 R CB 0.595 30.805 30.300 -0.151 0.000 0.973 718 R HN 0.922 nan 8.270 nan 0.000 0.438 719 S N 1.581 117.321 115.700 0.066 0.000 2.446 719 S HA -0.050 4.419 4.470 -0.001 0.000 0.225 719 S C 0.587 175.289 174.600 0.169 0.000 1.016 719 S CA 0.290 58.568 58.200 0.130 0.000 0.943 719 S CB -0.183 63.117 63.200 0.168 0.000 0.786 719 S HN 0.756 nan 8.310 nan 0.000 0.508 720 H N -0.230 118.842 119.070 0.003 0.000 2.717 720 H HA 0.687 5.242 4.556 -0.001 0.000 0.366 720 H C 0.432 175.758 175.328 -0.003 0.000 1.132 720 H CA -0.534 55.513 56.048 -0.000 0.000 1.180 720 H CB 1.010 30.771 29.762 -0.000 0.000 1.678 720 H HN 0.452 nan 8.280 nan 0.000 0.537 721 G N 2.155 110.915 108.800 -0.068 0.000 2.549 721 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.404 721 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.404 721 G C -1.334 173.515 174.900 -0.085 0.000 1.292 721 G CA -0.550 44.479 45.100 -0.119 0.000 0.935 721 G HN 0.731 nan 8.290 nan 0.000 0.512 722 D N 0.809 121.160 120.400 -0.082 0.000 2.424 722 D HA 0.521 5.160 4.640 -0.001 0.000 0.244 722 D C 0.926 177.188 176.300 -0.064 0.000 1.134 722 D CA 0.339 54.300 54.000 -0.063 0.000 0.881 722 D CB 0.839 41.602 40.800 -0.062 0.000 1.191 722 D HN 0.442 nan 8.370 nan 0.000 0.445 723 R N 0.491 120.965 120.500 -0.043 0.000 2.540 723 R HA 0.357 4.696 4.340 -0.001 0.000 0.287 723 R C 0.005 176.293 176.300 -0.020 0.000 0.980 723 R CA -0.550 55.534 56.100 -0.027 0.000 0.966 723 R CB 1.019 31.315 30.300 -0.007 0.000 1.106 723 R HN 0.218 nan 8.270 nan 0.000 0.480 724 S N 0.258 115.958 115.700 -0.001 0.000 2.568 724 S HA 0.482 4.952 4.470 -0.001 0.000 0.282 724 S C 0.402 175.017 174.600 0.025 0.000 1.338 724 S CA 0.333 58.548 58.200 0.025 0.000 1.045 724 S CB 0.907 64.155 63.200 0.080 0.000 0.873 724 S HN 0.727 nan 8.310 nan 0.000 0.516 725 G N -0.056 108.758 108.800 0.023 0.000 2.911 725 G HA2 0.593 4.552 3.960 -0.001 0.000 0.299 725 G HA3 0.593 4.552 3.960 -0.001 0.000 0.299 725 G C 0.557 175.466 174.900 0.015 0.000 1.283 725 G CA -0.131 44.988 45.100 0.031 0.000 0.805 725 G HN 0.705 nan 8.290 nan 0.000 0.548 726 A N -1.328 121.480 122.820 -0.020 0.000 2.019 726 A HA 0.089 4.408 4.320 -0.001 0.000 0.219 726 A C 1.878 179.347 177.584 -0.190 0.000 1.164 726 A CA 1.903 53.865 52.037 -0.125 0.000 0.644 726 A CB -0.593 18.265 19.000 -0.237 0.000 0.805 726 A HN 0.585 nan 8.150 nan 0.000 0.449 727 Y N -0.709 119.528 120.300 -0.106 0.000 2.314 727 Y HA 0.339 4.888 4.550 -0.001 0.000 0.294 727 Y C 0.876 176.670 175.900 -0.177 0.000 1.139 727 Y CA -0.037 57.935 58.100 -0.213 0.000 1.162 727 Y CB -0.189 37.793 38.460 -0.797 0.000 1.121 727 Y HN 0.012 nan 8.280 nan 0.000 0.529 728 L N 0.708 121.886 121.223 -0.076 0.000 2.312 728 L HA 0.198 4.537 4.340 -0.001 0.000 0.281 728 L C -1.085 175.825 176.870 0.066 0.000 1.070 728 L CA -0.504 54.291 54.840 -0.075 0.000 0.805 728 L CB 0.805 42.761 42.059 -0.173 0.000 1.174 728 L HN 0.040 nan 8.230 nan 0.000 0.434 729 F N 5.102 124.988 119.950 -0.107 0.000 2.375 729 F HA 0.509 5.035 4.527 -0.001 0.000 0.361 729 F C -0.834 174.882 175.800 -0.140 0.000 1.117 729 F CA -1.268 56.632 58.000 -0.167 0.000 1.037 729 F CB 0.675 39.507 39.000 -0.281 0.000 1.192 729 F HN 0.215 nan 8.300 nan 0.000 0.452 730 L N 9.132 130.242 121.223 -0.189 0.000 2.488 730 L HA 0.340 4.679 4.340 -0.001 0.000 0.250 730 L C -2.353 174.338 176.870 -0.299 0.000 1.280 730 L CA -1.734 52.939 54.840 -0.278 0.000 0.929 730 L CB 1.133 43.117 42.059 -0.126 0.000 1.200 730 L HN 0.392 nan 8.230 nan 0.000 0.495 731 P HA 0.024 nan 4.420 nan 0.000 0.269 731 P C -0.547 176.674 177.300 -0.131 0.000 1.215 731 P CA -0.234 62.689 63.100 -0.295 0.000 0.780 731 P CB 0.597 32.012 31.700 -0.476 0.000 0.898 732 N N 1.128 119.825 118.700 -0.006 0.000 3.324 732 N HA 0.299 5.038 4.740 -0.001 0.000 0.302 732 N C 0.613 176.145 175.510 0.038 0.000 1.360 732 N CA -0.208 52.845 53.050 0.005 0.000 1.190 732 N CB -0.716 37.788 38.487 0.029 0.000 1.462 732 N HN 0.750 nan 8.380 nan 0.000 0.532 733 G N 0.882 109.698 108.800 0.027 0.000 2.655 733 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.680 733 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.680 733 G C -3.089 171.888 174.900 0.129 0.000 1.302 733 G CA -1.156 43.975 45.100 0.052 0.000 0.872 733 G HN 0.367 nan 8.290 nan 0.000 0.540 734 P HA 0.456 nan 4.420 nan 0.000 0.268 734 P C 0.561 177.839 177.300 -0.037 0.000 1.208 734 P CA 0.681 63.850 63.100 0.114 0.000 0.777 734 P CB 0.496 32.228 31.700 0.052 0.000 0.875 735 A N 2.316 124.923 122.820 -0.354 0.000 2.466 735 A HA 0.354 4.674 4.320 -0.001 0.000 0.238 735 A C 0.208 177.642 177.584 -0.250 0.000 1.074 735 A CA 0.373 52.028 52.037 -0.637 0.000 0.774 735 A CB -0.250 18.029 19.000 -1.201 0.000 1.015 735 A HN 0.492 nan 8.150 nan 0.000 0.498 736 S N 1.993 117.587 115.700 -0.177 0.000 2.549 736 S HA 0.576 5.045 4.470 -0.001 0.000 0.297 736 S C -2.710 171.855 174.600 -0.059 0.000 1.115 736 S CA -1.030 57.123 58.200 -0.078 0.000 1.059 736 S CB 1.327 64.504 63.200 -0.037 0.000 1.046 736 S HN 0.552 nan 8.310 nan 0.000 0.506 737 P HA 0.094 nan 4.420 nan 0.000 0.265 737 P C -0.785 176.526 177.300 0.017 0.000 1.193 737 P CA -0.216 62.886 63.100 0.004 0.000 0.765 737 P CB 0.309 32.021 31.700 0.020 0.000 0.823 738 V N 3.859 123.796 119.914 0.039 0.000 2.521 738 V HA -0.030 4.089 4.120 -0.001 0.000 0.286 738 V C 0.968 177.081 176.094 0.032 0.000 1.034 738 V CA 0.103 62.425 62.300 0.036 0.000 1.045 738 V CB 0.044 31.898 31.823 0.052 0.000 0.974 738 V HN 0.579 nan 8.190 nan 0.000 0.480 739 E N 4.868 125.081 120.200 0.021 0.000 2.265 739 E HA 0.124 4.474 4.350 -0.001 0.000 0.272 739 E C 0.505 177.117 176.600 0.019 0.000 1.067 739 E CA -0.263 56.151 56.400 0.023 0.000 0.900 739 E CB 0.549 30.260 29.700 0.019 0.000 1.017 739 E HN 0.677 nan 8.360 nan 0.000 0.431 740 L N 4.418 125.658 121.223 0.028 0.000 2.509 740 L HA 0.220 4.559 4.340 -0.001 0.000 0.222 740 L C 1.473 178.360 176.870 0.029 0.000 1.123 740 L CA 0.325 55.179 54.840 0.024 0.000 0.856 740 L CB -0.955 41.129 42.059 0.040 0.000 0.985 740 L HN 0.985 nan 8.230 nan 0.000 0.456 741 G N 0.878 109.698 108.800 0.033 0.000 2.566 741 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.280 741 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.280 741 G C -0.001 174.925 174.900 0.044 0.000 1.225 741 G CA 0.173 45.295 45.100 0.037 0.000 0.966 741 G HN 0.365 nan 8.290 nan 0.000 0.560 742 Q N 1.647 121.476 119.800 0.049 0.000 2.571 742 Q HA 0.488 4.828 4.340 -0.001 0.000 0.243 742 Q C -2.059 173.982 176.000 0.068 0.000 1.055 742 Q CA -1.631 54.205 55.803 0.055 0.000 0.815 742 Q CB 1.230 29.998 28.738 0.050 0.000 1.151 742 Q HN 0.635 nan 8.270 nan 0.000 0.519 743 P HA 0.037 nan 4.420 nan 0.000 0.272 743 P C -0.558 176.814 177.300 0.120 0.000 1.223 743 P CA -0.277 62.877 63.100 0.090 0.000 0.784 743 P CB 1.135 32.872 31.700 0.062 0.000 0.923 744 V N 2.636 122.659 119.914 0.182 0.000 2.488 744 V HA 0.117 4.236 4.120 -0.001 0.000 0.277 744 V C 0.521 176.775 176.094 0.265 0.000 1.046 744 V CA -0.189 62.242 62.300 0.219 0.000 0.986 744 V CB 1.212 33.205 31.823 0.282 0.000 0.989 744 V HN 0.271 nan 8.190 nan 0.000 0.475 745 V N 6.500 126.511 119.914 0.161 0.000 2.495 745 V HA 0.483 4.602 4.120 -0.001 0.000 0.298 745 V C -0.448 175.664 176.094 0.030 0.000 1.031 745 V CA -0.670 61.699 62.300 0.115 0.000 0.871 745 V CB 1.717 33.568 31.823 0.048 0.000 0.988 745 V HN 0.654 nan 8.190 nan 0.000 0.432 746 L N 6.613 127.844 121.223 0.013 0.000 2.325 746 L HA 0.736 5.075 4.340 -0.001 0.000 0.281 746 L C -0.625 176.121 176.870 -0.207 0.000 1.004 746 L CA -0.029 54.697 54.840 -0.191 0.000 0.823 746 L CB 1.756 43.616 42.059 -0.331 0.000 1.236 746 L HN 0.448 nan 8.230 nan 0.000 0.415 747 V N 3.982 123.762 119.914 -0.223 0.000 2.417 747 V HA 0.584 4.703 4.120 -0.001 0.000 0.291 747 V C -0.010 175.995 176.094 -0.148 0.000 1.024 747 V CA -0.399 61.791 62.300 -0.184 0.000 0.861 747 V CB 1.594 33.329 31.823 -0.146 0.000 0.985 747 V HN 0.829 nan 8.190 nan 0.000 0.436 748 T N 5.257 119.753 114.554 -0.097 0.000 2.809 748 T HA 0.422 4.771 4.350 -0.001 0.000 0.284 748 T C -0.466 174.248 174.700 0.023 0.000 0.992 748 T CA -0.562 61.534 62.100 -0.007 0.000 0.957 748 T CB 1.078 69.972 68.868 0.044 0.000 0.942 748 T HN 0.681 nan 8.240 nan 0.000 0.439 749 K N 2.503 122.935 120.400 0.053 0.000 2.358 749 K HA 0.704 5.023 4.320 -0.001 0.000 0.260 749 K C -0.242 176.411 176.600 0.088 0.000 0.956 749 K CA -0.568 55.755 56.287 0.060 0.000 0.834 749 K CB 1.003 33.533 32.500 0.049 0.000 1.102 749 K HN 0.758 nan 8.250 nan 0.000 0.431 750 G N 2.213 111.062 108.800 0.082 0.000 2.658 750 G HA2 0.176 4.135 3.960 -0.001 0.000 0.292 750 G HA3 0.176 4.135 3.960 -0.001 0.000 0.292 750 G C -0.230 174.713 174.900 0.071 0.000 1.320 750 G CA -0.627 44.525 45.100 0.086 0.000 0.933 750 G HN 0.667 nan 8.290 nan 0.000 0.476 751 K N -0.455 119.984 120.400 0.065 0.000 2.057 751 K HA 0.112 4.432 4.320 -0.001 0.000 0.206 751 K C 1.811 178.446 176.600 0.057 0.000 1.050 751 K CA 1.071 57.393 56.287 0.058 0.000 0.935 751 K CB -0.162 32.369 32.500 0.052 0.000 0.715 751 K HN 0.424 nan 8.250 nan 0.000 0.439 752 L N -0.707 120.551 121.223 0.059 0.000 2.408 752 L HA 0.204 4.543 4.340 -0.001 0.000 0.215 752 L C 0.571 177.473 176.870 0.053 0.000 1.081 752 L CA 0.070 54.944 54.840 0.056 0.000 0.840 752 L CB 0.362 42.457 42.059 0.060 0.000 1.002 752 L HN 0.175 nan 8.230 nan 0.000 0.468 753 E N -0.472 119.764 120.200 0.059 0.000 2.335 753 E HA 0.428 4.777 4.350 -0.001 0.000 0.280 753 E C -1.490 175.148 176.600 0.064 0.000 0.918 753 E CA -0.255 56.179 56.400 0.058 0.000 0.765 753 E CB 2.173 31.906 29.700 0.054 0.000 1.218 753 E HN -0.118 nan 8.360 nan 0.000 0.425 754 S N 1.035 116.770 115.700 0.058 0.000 2.667 754 S HA 0.830 5.299 4.470 -0.001 0.000 0.292 754 S C -1.403 173.213 174.600 0.026 0.000 1.126 754 S CA -0.614 57.615 58.200 0.047 0.000 0.881 754 S CB 1.790 65.019 63.200 0.048 0.000 1.132 754 S HN 0.666 nan 8.310 nan 0.000 0.492 755 S N -0.440 115.248 115.700 -0.019 0.000 2.578 755 S HA 0.677 5.146 4.470 -0.001 0.000 0.272 755 S C -1.873 172.621 174.600 -0.176 0.000 1.145 755 S CA -0.746 57.414 58.200 -0.067 0.000 0.835 755 S CB 0.870 64.053 63.200 -0.027 0.000 1.104 755 S HN 0.500 nan 8.310 nan 0.000 0.458 756 V N 1.836 121.582 119.914 -0.280 0.000 2.487 756 V HA 0.760 4.879 4.120 -0.001 0.000 0.298 756 V C -0.482 175.472 176.094 -0.232 0.000 1.028 756 V CA -0.393 61.676 62.300 -0.385 0.000 0.860 756 V CB 1.701 32.977 31.823 -0.912 0.000 0.991 756 V HN 0.991 nan 8.190 nan 0.000 0.427 757 S N 3.210 118.831 115.700 -0.132 0.000 2.500 757 S HA 0.765 5.234 4.470 -0.001 0.000 0.301 757 S C -0.823 173.725 174.600 -0.088 0.000 1.092 757 S CA -0.591 57.545 58.200 -0.106 0.000 1.030 757 S CB 2.084 65.313 63.200 0.048 0.000 1.031 757 S HN 0.664 nan 8.310 nan 0.000 0.483 758 V N 2.263 122.020 119.914 -0.262 0.000 2.709 758 V HA 0.840 4.959 4.120 -0.001 0.000 0.308 758 V C -0.002 175.760 176.094 -0.553 0.000 1.062 758 V CA -0.435 61.729 62.300 -0.227 0.000 0.901 758 V CB 1.766 33.570 31.823 -0.031 0.000 1.003 758 V HN 0.978 nan 8.190 nan 0.000 0.425 759 G N 6.950 115.464 108.800 -0.476 0.000 2.457 759 G HA2 0.554 4.513 3.960 -0.001 0.000 0.316 759 G HA3 0.554 4.513 3.960 -0.001 0.000 0.316 759 G C -0.672 174.130 174.900 -0.164 0.000 1.030 759 G CA -0.343 44.511 45.100 -0.410 0.000 1.073 759 G HN 0.713 nan 8.290 nan 0.000 0.430 760 L N 2.942 124.018 121.223 -0.246 0.000 2.332 760 L HA 0.451 4.791 4.340 -0.001 0.000 0.269 760 L C -2.123 174.635 176.870 -0.187 0.000 1.016 760 L CA -2.455 52.262 54.840 -0.205 0.000 0.809 760 L CB 2.289 44.143 42.059 -0.341 0.000 1.280 760 L HN 0.224 nan 8.230 nan 0.000 0.447 761 P HA 0.123 nan 4.420 nan 0.000 0.271 761 P C 0.025 177.230 177.300 -0.159 0.000 1.226 761 P CA 0.332 63.357 63.100 -0.125 0.000 0.765 761 P CB 1.087 32.738 31.700 -0.082 0.000 0.835 762 S N -0.176 115.436 115.700 -0.146 0.000 2.929 762 S HA -0.107 4.362 4.470 -0.001 0.000 0.271 762 S C 0.167 174.660 174.600 -0.180 0.000 1.295 762 S CA 1.273 59.393 58.200 -0.133 0.000 1.277 762 S CB -1.473 61.672 63.200 -0.092 0.000 1.557 762 S HN 0.408 nan 8.310 nan 0.000 0.666 763 V N 1.071 120.821 119.914 -0.272 0.000 2.697 763 V HA 0.421 4.540 4.120 -0.001 0.000 0.300 763 V C -0.333 175.529 176.094 -0.386 0.000 1.115 763 V CA -0.820 61.275 62.300 -0.341 0.000 0.912 763 V CB 2.119 33.592 31.823 -0.583 0.000 1.024 763 V HN 0.077 nan 8.190 nan 0.000 0.431 764 V N 3.993 123.689 119.914 -0.364 0.000 2.353 764 V HA 0.317 4.436 4.120 -0.001 0.000 0.264 764 V C -0.118 175.758 176.094 -0.363 0.000 1.049 764 V CA -0.339 61.638 62.300 -0.539 0.000 0.896 764 V CB 0.736 32.124 31.823 -0.726 0.000 1.025 764 V HN 0.931 nan 8.190 nan 0.000 0.475 765 H N 4.860 123.667 119.070 -0.438 0.000 2.517 765 H HA 0.605 5.160 4.556 -0.001 0.000 0.317 765 H C -0.355 174.848 175.328 -0.209 0.000 1.080 765 H CA -0.243 55.648 56.048 -0.262 0.000 1.301 765 H CB 0.962 30.596 29.762 -0.214 0.000 1.425 765 H HN 0.686 nan 8.280 nan 0.000 0.471 766 Q N 3.374 122.884 119.800 -0.484 0.000 2.323 766 Q HA 0.388 4.727 4.340 -0.001 0.000 0.271 766 Q C -1.086 174.703 176.000 -0.352 0.000 1.048 766 Q CA -1.018 54.574 55.803 -0.352 0.000 0.792 766 Q CB 2.493 31.122 28.738 -0.181 0.000 1.280 766 Q HN 0.611 nan 8.270 nan 0.000 0.441 767 T N 2.938 117.366 114.554 -0.209 0.000 2.772 767 T HA 0.557 4.906 4.350 -0.001 0.000 0.288 767 T C -0.314 174.403 174.700 0.029 0.000 0.994 767 T CA -0.412 61.677 62.100 -0.019 0.000 0.951 767 T CB 0.297 69.325 68.868 0.266 0.000 0.933 767 T HN 0.363 nan 8.240 nan 0.000 0.447 768 I N 3.667 124.267 120.570 0.051 0.000 2.412 768 I HA 0.503 4.672 4.170 -0.001 0.000 0.296 768 I C -0.132 176.035 176.117 0.083 0.000 0.987 768 I CA -0.780 60.551 61.300 0.053 0.000 1.180 768 I CB 1.647 39.669 38.000 0.036 0.000 1.340 768 I HN 0.378 nan 8.210 nan 0.000 0.455 769 M N 5.796 125.445 119.600 0.082 0.000 2.253 769 M HA 0.472 4.952 4.480 -0.001 0.000 0.314 769 M C 0.098 176.438 176.300 0.066 0.000 1.019 769 M CA -0.331 55.021 55.300 0.088 0.000 0.932 769 M CB 2.183 34.852 32.600 0.114 0.000 1.606 769 M HN 0.490 nan 8.290 nan 0.000 0.430 770 R N 1.150 121.684 120.500 0.056 0.000 2.600 770 R HA 0.356 4.695 4.340 -0.001 0.000 0.392 770 R C 0.769 177.095 176.300 0.043 0.000 1.032 770 R CA 0.237 56.364 56.100 0.045 0.000 1.139 770 R CB 1.118 31.437 30.300 0.032 0.000 1.400 770 R HN 1.143 nan 8.270 nan 0.000 0.566 771 G N -0.439 108.390 108.800 0.048 0.000 2.231 771 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.206 771 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.206 771 G C 0.300 175.221 174.900 0.035 0.000 0.996 771 G CA -0.360 44.764 45.100 0.041 0.000 0.645 771 G HN 0.531 nan 8.290 nan 0.000 0.498 772 G N -0.044 108.777 108.800 0.036 0.000 3.259 772 G HA2 0.784 4.743 3.960 -0.001 0.000 0.178 772 G HA3 0.784 4.743 3.960 -0.001 0.000 0.178 772 G C 0.395 175.315 174.900 0.034 0.000 1.129 772 G CA 0.573 45.690 45.100 0.028 0.000 0.816 772 G HN 1.539 nan 8.290 nan 0.000 0.634 773 A N 1.612 124.451 122.820 0.031 0.000 2.540 773 A HA 0.541 4.860 4.320 -0.001 0.000 0.239 773 A C -1.690 175.931 177.584 0.062 0.000 1.061 773 A CA -0.472 51.589 52.037 0.040 0.000 0.758 773 A CB -0.379 18.642 19.000 0.035 0.000 0.991 773 A HN 0.398 nan 8.150 nan 0.000 0.502 774 P HA 0.164 nan 4.420 nan 0.000 0.274 774 P C -0.532 176.838 177.300 0.115 0.000 1.246 774 P CA -0.245 62.919 63.100 0.108 0.000 0.795 774 P CB 0.761 32.549 31.700 0.147 0.000 1.006 775 E N 0.959 121.223 120.200 0.106 0.000 2.191 775 E HA 0.417 4.766 4.350 -0.001 0.000 0.274 775 E C -0.874 175.795 176.600 0.115 0.000 0.948 775 E CA -0.763 55.702 56.400 0.108 0.000 0.802 775 E CB 0.697 30.438 29.700 0.068 0.000 1.137 775 E HN 0.199 nan 8.360 nan 0.000 0.397 776 I N 3.845 124.516 120.570 0.168 0.000 2.404 776 I HA 0.419 4.589 4.170 -0.001 0.000 0.293 776 I C -0.080 176.145 176.117 0.180 0.000 0.992 776 I CA -0.641 60.733 61.300 0.123 0.000 1.149 776 I CB 1.294 39.373 38.000 0.132 0.000 1.315 776 I HN 0.579 nan 8.210 nan 0.000 0.446 777 R N 4.710 125.242 120.500 0.054 0.000 2.513 777 R HA 0.504 4.843 4.340 -0.001 0.000 0.301 777 R C -0.998 175.340 176.300 0.064 0.000 0.968 777 R CA -0.840 55.307 56.100 0.079 0.000 0.872 777 R CB 2.026 32.333 30.300 0.011 0.000 1.177 777 R HN 0.466 nan 8.270 nan 0.000 0.444 778 N N 2.751 121.550 118.700 0.166 0.000 2.442 778 N HA 0.195 4.934 4.740 -0.001 0.000 0.274 778 N C -1.276 174.242 175.510 0.013 0.000 1.002 778 N CA -0.709 52.416 53.050 0.125 0.000 0.910 778 N CB 1.970 40.633 38.487 0.294 0.000 1.244 778 N HN 0.331 nan 8.380 nan 0.000 0.492 779 L N 3.577 124.749 121.223 -0.085 0.000 2.282 779 L HA 0.368 4.708 4.340 -0.001 0.000 0.287 779 L C -0.999 175.800 176.870 -0.119 0.000 1.075 779 L CA -0.512 54.259 54.840 -0.115 0.000 0.839 779 L CB 0.435 42.413 42.059 -0.134 0.000 1.219 779 L HN 0.224 nan 8.230 nan 0.000 0.434 780 V N 4.480 124.330 119.914 -0.107 0.000 2.348 780 V HA 0.357 4.476 4.120 -0.001 0.000 0.270 780 V C -0.362 175.697 176.094 -0.059 0.000 1.037 780 V CA -0.463 61.794 62.300 -0.072 0.000 0.872 780 V CB 1.047 32.866 31.823 -0.007 0.000 1.002 780 V HN 0.671 nan 8.190 nan 0.000 0.464 781 D N 4.067 124.433 120.400 -0.058 0.000 2.420 781 D HA 0.284 4.923 4.640 -0.001 0.000 0.255 781 D C 0.450 176.732 176.300 -0.030 0.000 1.185 781 D CA -0.420 53.557 54.000 -0.038 0.000 0.904 781 D CB 1.558 42.332 40.800 -0.044 0.000 1.102 781 D HN 0.459 nan 8.370 nan 0.000 0.534 782 I N 2.629 123.197 120.570 -0.002 0.000 3.291 782 I HA 0.088 4.257 4.170 -0.001 0.000 0.279 782 I C 1.449 177.567 176.117 0.001 0.000 1.294 782 I CA 0.936 62.240 61.300 0.007 0.000 1.428 782 I CB -0.225 37.798 38.000 0.039 0.000 1.070 782 I HN 0.640 nan 8.210 nan 0.000 0.478 783 G N 1.056 109.853 108.800 -0.004 0.000 2.651 783 G HA2 -0.463 3.496 3.960 -0.001 0.000 0.315 783 G HA3 -0.463 3.496 3.960 -0.001 0.000 0.315 783 G C 0.642 175.546 174.900 0.007 0.000 1.258 783 G CA 0.623 45.721 45.100 -0.005 0.000 1.002 783 G HN 0.674 nan 8.290 nan 0.000 0.551 784 S N -0.085 115.618 115.700 0.005 0.000 2.561 784 S HA 0.556 5.025 4.470 -0.001 0.000 0.245 784 S C 0.704 175.314 174.600 0.016 0.000 1.001 784 S CA -0.000 58.208 58.200 0.013 0.000 1.002 784 S CB 0.103 63.311 63.200 0.014 0.000 0.805 784 S HN 0.651 nan 8.310 nan 0.000 0.458 785 L N 3.008 124.240 121.223 0.016 0.000 2.415 785 L HA 0.285 4.624 4.340 -0.001 0.000 0.269 785 L C -0.430 176.460 176.870 0.034 0.000 1.244 785 L CA -0.418 54.435 54.840 0.022 0.000 1.113 785 L CB -0.572 41.499 42.059 0.021 0.000 1.352 785 L HN 0.138 nan 8.230 nan 0.000 0.433 786 D N 2.898 123.318 120.400 0.033 0.000 2.423 786 D HA -0.028 4.611 4.640 -0.001 0.000 0.238 786 D C 0.691 177.019 176.300 0.047 0.000 1.142 786 D CA 0.372 54.395 54.000 0.039 0.000 0.884 786 D CB 0.302 41.122 40.800 0.034 0.000 1.199 786 D HN 0.330 nan 8.370 nan 0.000 0.438 787 N N 0.408 119.140 118.700 0.054 0.000 2.738 787 N HA -0.168 4.571 4.740 -0.001 0.000 0.249 787 N C -0.928 174.630 175.510 0.081 0.000 1.047 787 N CA 0.834 53.922 53.050 0.064 0.000 0.707 787 N CB -1.309 37.212 38.487 0.056 0.000 0.937 787 N HN 0.311 nan 8.380 nan 0.000 0.545 788 T N 0.443 115.048 114.554 0.085 0.000 2.916 788 T HA 0.423 4.772 4.350 -0.001 0.000 0.298 788 T C -0.373 174.396 174.700 0.115 0.000 1.031 788 T CA -0.688 61.472 62.100 0.101 0.000 0.993 788 T CB 2.369 71.282 68.868 0.075 0.000 1.045 788 T HN 0.027 nan 8.240 nan 0.000 0.454 789 E N 2.508 122.806 120.200 0.163 0.000 2.218 789 E HA 0.428 4.777 4.350 -0.001 0.000 0.263 789 E C -0.689 176.032 176.600 0.201 0.000 0.879 789 E CA -0.609 55.884 56.400 0.154 0.000 0.762 789 E CB 2.255 32.021 29.700 0.110 0.000 1.166 789 E HN 0.502 nan 8.360 nan 0.000 0.415 790 I N 2.875 123.546 120.570 0.168 0.000 2.342 790 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 790 I C -0.135 176.117 176.117 0.225 0.000 1.010 790 I CA -0.774 60.637 61.300 0.185 0.000 1.308 790 I CB 1.301 39.399 38.000 0.163 0.000 1.400 790 I HN 0.191 nan 8.210 nan 0.000 0.488 791 V N 8.133 128.182 119.914 0.225 0.000 2.628 791 V HA 0.514 4.633 4.120 -0.001 0.000 0.306 791 V C -0.504 175.625 176.094 0.058 0.000 1.045 791 V CA -0.735 61.682 62.300 0.195 0.000 0.905 791 V CB 2.072 34.073 31.823 0.296 0.000 0.997 791 V HN 0.772 nan 8.190 nan 0.000 0.436 792 M N 7.197 126.752 119.600 -0.075 0.000 2.149 792 M HA 0.586 5.065 4.480 -0.001 0.000 0.342 792 M C -0.628 175.518 176.300 -0.256 0.000 1.068 792 M CA -0.454 54.568 55.300 -0.464 0.000 0.991 792 M CB 0.750 33.034 32.600 -0.526 0.000 1.596 792 M HN 0.764 nan 8.290 nan 0.000 0.439 793 R N 4.545 124.880 120.500 -0.275 0.000 2.664 793 R HA 0.726 5.065 4.340 -0.001 0.000 0.286 793 R C -1.947 174.241 176.300 -0.188 0.000 0.967 793 R CA -0.627 55.374 56.100 -0.164 0.000 0.933 793 R CB 1.526 31.756 30.300 -0.118 0.000 1.146 793 R HN 0.827 nan 8.270 nan 0.000 0.468 794 L N 3.239 124.342 121.223 -0.200 0.000 2.333 794 L HA 0.415 4.754 4.340 -0.001 0.000 0.280 794 L C -0.631 176.128 176.870 -0.185 0.000 1.004 794 L CA -0.456 54.200 54.840 -0.307 0.000 0.820 794 L CB 2.020 43.859 42.059 -0.367 0.000 1.247 794 L HN 0.610 nan 8.230 nan 0.000 0.416 795 E N 2.287 122.397 120.200 -0.150 0.000 2.151 795 E HA 0.504 4.853 4.350 -0.001 0.000 0.275 795 E C -0.520 176.032 176.600 -0.081 0.000 0.936 795 E CA -0.450 55.916 56.400 -0.056 0.000 0.777 795 E CB 2.055 31.772 29.700 0.028 0.000 1.108 795 E HN 0.602 nan 8.360 nan 0.000 0.401 796 T N -1.017 113.510 114.554 -0.044 0.000 2.804 796 T HA 0.327 4.676 4.350 -0.001 0.000 0.290 796 T C 0.056 174.818 174.700 0.103 0.000 1.099 796 T CA -0.727 61.325 62.100 -0.079 0.000 1.011 796 T CB 1.086 69.914 68.868 -0.067 0.000 1.291 796 T HN 0.591 nan 8.240 nan 0.000 0.523 797 H N -0.565 118.495 119.070 -0.016 0.000 2.487 797 H HA 0.411 4.966 4.556 -0.001 0.000 0.290 797 H C 0.012 175.339 175.328 -0.000 0.000 1.081 797 H CA -0.599 55.445 56.048 -0.007 0.000 1.116 797 H CB 0.102 29.859 29.762 -0.007 0.000 1.560 797 H HN 0.324 nan 8.280 nan 0.000 0.548 798 I N 1.699 122.332 120.570 0.106 0.000 2.618 798 I HA -0.117 4.052 4.170 -0.001 0.000 0.284 798 I C 0.589 176.749 176.117 0.071 0.000 1.146 798 I CA 0.225 61.568 61.300 0.072 0.000 1.425 798 I CB 0.527 38.561 38.000 0.056 0.000 1.383 798 I HN 0.177 nan 8.210 nan 0.000 0.562 799 D N 4.450 124.887 120.400 0.062 0.000 2.713 799 D HA 0.036 4.676 4.640 -0.001 0.000 0.229 799 D C 1.217 177.557 176.300 0.065 0.000 1.136 799 D CA -0.030 54.002 54.000 0.053 0.000 1.010 799 D CB 0.336 41.161 40.800 0.040 0.000 1.084 799 D HN 0.545 nan 8.370 nan 0.000 0.495 800 S N 0.285 116.031 115.700 0.077 0.000 2.470 800 S HA 0.237 4.706 4.470 -0.001 0.000 0.225 800 S C 1.645 176.297 174.600 0.087 0.000 1.006 800 S CA 0.289 58.548 58.200 0.100 0.000 0.934 800 S CB -0.180 63.092 63.200 0.120 0.000 0.778 800 S HN 0.535 nan 8.310 nan 0.000 0.517 801 G N 3.201 112.041 108.800 0.066 0.000 2.557 801 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.292 801 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.292 801 G C 0.196 175.137 174.900 0.068 0.000 1.162 801 G CA 0.619 45.753 45.100 0.057 0.000 0.964 801 G HN 0.774 nan 8.290 nan 0.000 0.541 802 D N 0.174 120.619 120.400 0.075 0.000 2.440 802 D HA 0.345 4.984 4.640 -0.001 0.000 0.216 802 D C 0.692 177.076 176.300 0.140 0.000 1.150 802 D CA -0.214 53.848 54.000 0.103 0.000 0.832 802 D CB 0.255 41.101 40.800 0.077 0.000 0.992 802 D HN 0.472 nan 8.370 nan 0.000 0.502 803 I N 1.465 122.100 120.570 0.108 0.000 2.437 803 I HA 0.515 4.684 4.170 -0.001 0.000 0.298 803 I C -0.212 175.990 176.117 0.142 0.000 0.984 803 I CA -1.028 60.281 61.300 0.016 0.000 1.214 803 I CB 0.682 38.654 38.000 -0.047 0.000 1.365 803 I HN -0.028 nan 8.210 nan 0.000 0.469 804 F N 4.264 124.027 119.950 -0.313 0.000 2.779 804 F HA 0.691 5.218 4.527 -0.001 0.000 0.316 804 F C -2.094 173.342 175.800 -0.607 0.000 1.164 804 F CA -1.441 56.401 58.000 -0.263 0.000 0.924 804 F CB 1.190 40.111 39.000 -0.131 0.000 1.348 804 F HN 0.191 nan 8.300 nan 0.000 0.467 805 Y N 0.016 120.091 120.300 -0.375 0.000 2.442 805 Y HA 0.678 5.227 4.550 -0.001 0.000 0.344 805 Y C 0.018 175.746 175.900 -0.287 0.000 0.976 805 Y CA -0.706 57.033 58.100 -0.602 0.000 1.040 805 Y CB 2.430 40.118 38.460 -1.287 0.000 1.228 805 Y HN 0.903 nan 8.280 nan 0.000 0.451 806 T N -1.502 112.968 114.554 -0.140 0.000 2.901 806 T HA 0.519 4.868 4.350 -0.001 0.000 0.293 806 T C -1.056 173.466 174.700 -0.297 0.000 1.084 806 T CA -1.049 60.996 62.100 -0.092 0.000 1.008 806 T CB 2.065 70.858 68.868 -0.125 0.000 1.170 806 T HN 0.575 nan 8.240 nan 0.000 0.509 807 D N 0.899 120.982 120.400 -0.529 0.000 2.332 807 D HA 0.383 5.022 4.640 -0.001 0.000 0.252 807 D C -0.631 175.408 176.300 -0.436 0.000 1.050 807 D CA -0.837 52.669 54.000 -0.823 0.000 0.970 807 D CB 1.288 41.340 40.800 -1.246 0.000 1.141 807 D HN 0.555 nan 8.370 nan 0.000 0.485 808 L N 0.958 121.964 121.223 -0.362 0.000 2.294 808 L HA 0.222 4.561 4.340 -0.001 0.000 0.283 808 L C -0.100 176.655 176.870 -0.192 0.000 1.015 808 L CA -0.815 53.905 54.840 -0.201 0.000 0.831 808 L CB 0.470 42.473 42.059 -0.093 0.000 1.217 808 L HN 0.438 nan 8.230 nan 0.000 0.420 809 N N 2.116 120.712 118.700 -0.174 0.000 2.693 809 N HA -0.236 4.504 4.740 -0.001 0.000 0.249 809 N C 0.972 176.281 175.510 -0.336 0.000 1.119 809 N CA 0.919 53.864 53.050 -0.174 0.000 0.717 809 N CB -1.122 37.345 38.487 -0.035 0.000 1.071 809 N HN 1.083 nan 8.380 nan 0.000 0.555 810 G N -1.716 106.883 108.800 -0.336 0.000 2.166 810 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.260 810 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.260 810 G C 0.599 175.486 174.900 -0.023 0.000 0.986 810 G CA 0.661 45.581 45.100 -0.299 0.000 0.683 810 G HN 0.500 nan 8.290 nan 0.000 0.527 811 L N -0.483 120.675 121.223 -0.109 0.000 2.547 811 L HA 0.500 4.840 4.340 -0.001 0.000 0.218 811 L C 0.968 177.738 176.870 -0.166 0.000 1.048 811 L CA 1.868 56.577 54.840 -0.219 0.000 0.859 811 L CB 0.185 41.959 42.059 -0.475 0.000 1.128 811 L HN 0.698 nan 8.230 nan 0.000 0.483 812 Q N -1.806 117.895 119.800 -0.165 0.000 2.482 812 Q HA 0.351 4.690 4.340 -0.001 0.000 0.286 812 Q C -1.707 174.180 176.000 -0.189 0.000 1.007 812 Q CA -0.746 55.020 55.803 -0.061 0.000 0.801 812 Q CB 1.168 29.922 28.738 0.027 0.000 1.455 812 Q HN -0.046 nan 8.270 nan 0.000 0.398 813 F N 1.258 121.168 119.950 -0.066 0.000 2.436 813 F HA 0.613 5.139 4.527 -0.001 0.000 0.340 813 F C -0.221 175.538 175.800 -0.068 0.000 1.113 813 F CA -0.848 57.120 58.000 -0.053 0.000 1.022 813 F CB 1.756 40.762 39.000 0.010 0.000 1.128 813 F HN 0.540 nan 8.300 nan 0.000 0.466 814 I N 3.727 124.290 120.570 -0.011 0.000 2.474 814 I HA 0.335 4.504 4.170 -0.001 0.000 0.294 814 I C -0.524 175.447 176.117 -0.244 0.000 1.005 814 I CA -0.895 60.352 61.300 -0.088 0.000 1.113 814 I CB 1.299 39.202 38.000 -0.161 0.000 1.289 814 I HN 0.501 nan 8.210 nan 0.000 0.436 815 K N 6.677 126.895 120.400 -0.304 0.000 2.412 815 K HA 0.237 4.556 4.320 -0.001 0.000 0.281 815 K C -0.828 175.312 176.600 -0.766 0.000 1.027 815 K CA -0.282 55.545 56.287 -0.766 0.000 0.989 815 K CB 0.485 32.688 32.500 -0.495 0.000 0.935 815 K HN 0.492 nan 8.250 nan 0.000 0.475 816 R N 3.193 123.050 120.500 -1.072 0.000 2.711 816 R HA 0.364 4.703 4.340 -0.001 0.000 0.284 816 R C -0.558 175.242 176.300 -0.833 0.000 0.968 816 R CA -0.809 54.600 56.100 -1.152 0.000 0.924 816 R CB 1.615 30.686 30.300 -2.048 0.000 1.162 816 R HN 0.674 nan 8.270 nan 0.000 0.465 817 R N 1.503 121.735 120.500 -0.446 0.000 2.476 817 R HA 0.299 4.638 4.340 -0.001 0.000 0.305 817 R C -0.560 175.784 176.300 0.074 0.000 0.965 817 R CA -0.659 55.355 56.100 -0.143 0.000 0.867 817 R CB 1.544 31.799 30.300 -0.075 0.000 1.176 817 R HN 0.537 nan 8.270 nan 0.000 0.447 818 R N 4.943 125.588 120.500 0.241 0.000 2.522 818 R HA 0.119 4.459 4.340 -0.001 0.000 0.284 818 R C -0.942 175.445 176.300 0.146 0.000 1.032 818 R CA 0.242 56.517 56.100 0.291 0.000 1.049 818 R CB 0.374 30.826 30.300 0.254 0.000 0.956 818 R HN 0.543 nan 8.270 nan 0.000 0.422 819 L N 4.948 126.238 121.223 0.111 0.000 2.319 819 L HA 0.233 4.572 4.340 -0.001 0.000 0.281 819 L C 0.162 177.032 176.870 0.001 0.000 1.005 819 L CA -0.701 54.164 54.840 0.042 0.000 0.828 819 L CB 2.011 44.074 42.059 0.006 0.000 1.227 819 L HN 0.631 nan 8.230 nan 0.000 0.415 820 D N 1.583 121.990 120.400 0.010 0.000 2.371 820 D HA -0.102 4.538 4.640 -0.001 0.000 0.221 820 D C 1.621 177.909 176.300 -0.019 0.000 0.986 820 D CA 0.700 54.699 54.000 -0.001 0.000 0.899 820 D CB 0.356 41.163 40.800 0.012 0.000 0.902 820 D HN 0.566 nan 8.370 nan 0.000 0.530 821 K N 0.130 120.513 120.400 -0.029 0.000 2.418 821 K HA 0.045 4.364 4.320 -0.001 0.000 0.195 821 K C 0.716 177.262 176.600 -0.090 0.000 1.035 821 K CA 0.292 56.561 56.287 -0.030 0.000 1.003 821 K CB 0.423 32.927 32.500 0.007 0.000 0.793 821 K HN 0.091 nan 8.250 nan 0.000 0.494 822 L N 2.401 123.528 121.223 -0.160 0.000 2.330 822 L HA 0.458 4.797 4.340 -0.001 0.000 0.271 822 L C -2.260 174.501 176.870 -0.183 0.000 1.013 822 L CA -2.915 51.779 54.840 -0.243 0.000 0.816 822 L CB 1.411 43.212 42.059 -0.429 0.000 1.287 822 L HN -0.054 nan 8.230 nan 0.000 0.435 823 P HA 0.022 nan 4.420 nan 0.000 0.272 823 P C 0.811 177.983 177.300 -0.213 0.000 1.240 823 P CA -0.360 62.641 63.100 -0.165 0.000 0.791 823 P CB 1.223 32.856 31.700 -0.111 0.000 0.978 824 L N 0.978 122.105 121.223 -0.160 0.000 2.013 824 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 824 L C 2.493 179.264 176.870 -0.165 0.000 1.073 824 L CA 1.826 56.594 54.840 -0.119 0.000 0.753 824 L CB -0.634 41.354 42.059 -0.119 0.000 0.890 824 L HN 0.420 nan 8.230 nan 0.000 0.432 825 Q N -0.216 119.376 119.800 -0.347 0.000 2.291 825 Q HA -0.182 4.157 4.340 -0.001 0.000 0.206 825 Q C 1.867 177.764 176.000 -0.172 0.000 0.976 825 Q CA 1.558 57.181 55.803 -0.300 0.000 0.875 825 Q CB -0.569 27.917 28.738 -0.419 0.000 0.927 825 Q HN 0.608 nan 8.270 nan 0.000 0.450 826 A N 1.537 124.052 122.820 -0.509 0.000 2.067 826 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 826 A C 1.660 179.046 177.584 -0.330 0.000 1.156 826 A CA 0.760 52.333 52.037 -0.773 0.000 0.683 826 A CB -0.190 17.948 19.000 -1.435 0.000 0.808 826 A HN 0.361 nan 8.150 nan 0.000 0.455 827 N N -1.118 117.508 118.700 -0.124 0.000 2.398 827 N HA 0.037 4.776 4.740 -0.001 0.000 0.188 827 N C -0.818 174.780 175.510 0.147 0.000 1.122 827 N CA 0.218 53.315 53.050 0.078 0.000 0.866 827 N CB 0.040 38.629 38.487 0.169 0.000 0.970 827 N HN 0.457 nan 8.380 nan 0.000 0.462 828 Y N 0.389 120.631 120.300 -0.098 0.000 2.319 828 Y HA 0.185 4.734 4.550 -0.001 0.000 0.328 828 Y C -0.163 175.660 175.900 -0.129 0.000 1.133 828 Y CA -0.158 57.969 58.100 0.044 0.000 1.265 828 Y CB 0.337 38.899 38.460 0.170 0.000 1.218 828 Y HN -0.066 nan 8.280 nan 0.000 0.508 829 Y N 3.494 123.928 120.300 0.223 0.000 2.605 829 Y HA 0.470 5.019 4.550 -0.001 0.000 0.343 829 Y C -2.301 173.329 175.900 -0.451 0.000 1.036 829 Y CA -2.940 55.151 58.100 -0.014 0.000 1.065 829 Y CB 1.418 39.862 38.460 -0.026 0.000 1.288 829 Y HN 0.450 nan 8.280 nan 0.000 0.481 830 P HA 0.152 nan 4.420 nan 0.000 0.271 830 P C -0.699 176.373 177.300 -0.379 0.000 1.216 830 P CA 0.152 62.702 63.100 -0.916 0.000 0.776 830 P CB 0.577 31.623 31.700 -1.090 0.000 0.881 831 I N 4.993 125.415 120.570 -0.247 0.000 2.620 831 I HA 0.171 4.340 4.170 -0.001 0.000 0.280 831 I C -1.677 174.370 176.117 -0.116 0.000 1.143 831 I CA -2.471 58.755 61.300 -0.124 0.000 1.163 831 I CB 0.795 38.776 38.000 -0.031 0.000 1.461 831 I HN 0.204 nan 8.210 nan 0.000 0.530 832 P HA 0.010 nan 4.420 nan 0.000 0.221 832 P C 0.839 178.110 177.300 -0.048 0.000 1.150 832 P CA 0.996 64.025 63.100 -0.118 0.000 0.800 832 P CB 0.759 32.361 31.700 -0.163 0.000 0.787 833 S N -2.622 113.054 115.700 -0.040 0.000 2.560 833 S HA 0.448 4.918 4.470 -0.001 0.000 0.281 833 S C 0.645 175.335 174.600 0.150 0.000 1.075 833 S CA 0.186 58.421 58.200 0.058 0.000 1.295 833 S CB 1.344 64.596 63.200 0.087 0.000 1.156 833 S HN 0.415 nan 8.310 nan 0.000 0.627 834 G N 1.778 110.669 108.800 0.151 0.000 2.368 834 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 834 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 834 G C -1.741 173.407 174.900 0.413 0.000 1.467 834 G CA -0.569 44.742 45.100 0.352 0.000 0.804 834 G HN 0.335 nan 8.290 nan 0.000 0.535 835 M N -0.827 119.049 119.600 0.460 0.000 2.643 835 M HA 0.861 5.340 4.480 -0.001 0.000 0.276 835 M C -1.733 174.820 176.300 0.422 0.000 1.200 835 M CA -1.008 54.523 55.300 0.384 0.000 0.863 835 M CB 2.415 35.145 32.600 0.216 0.000 1.711 835 M HN 1.341 nan 8.290 nan 0.000 0.492 836 F N 0.700 120.801 119.950 0.252 0.000 2.713 836 F HA 0.916 5.442 4.527 -0.001 0.000 0.311 836 F C -1.879 174.064 175.800 0.238 0.000 1.141 836 F CA -1.183 56.907 58.000 0.150 0.000 0.939 836 F CB 1.093 40.098 39.000 0.008 0.000 1.325 836 F HN 0.796 nan 8.300 nan 0.000 0.453 837 I N -0.418 120.418 120.570 0.442 0.000 2.828 837 I HA 0.890 5.059 4.170 -0.001 0.000 0.302 837 I C -1.459 174.858 176.117 0.333 0.000 1.101 837 I CA -0.920 60.593 61.300 0.354 0.000 1.031 837 I CB 2.468 40.587 38.000 0.199 0.000 1.231 837 I HN 0.956 nan 8.210 nan 0.000 0.427 838 E N 1.822 122.195 120.200 0.289 0.000 2.423 838 E HA 0.565 4.914 4.350 -0.001 0.000 0.280 838 E C -2.082 174.606 176.600 0.145 0.000 1.030 838 E CA -0.839 55.671 56.400 0.183 0.000 0.812 838 E CB 2.223 32.023 29.700 0.167 0.000 1.313 838 E HN 0.738 nan 8.360 nan 0.000 0.456 839 D N 0.343 120.797 120.400 0.090 0.000 2.846 839 D HA 0.466 5.105 4.640 -0.001 0.000 0.273 839 D C 0.806 177.138 176.300 0.053 0.000 1.145 839 D CA -0.178 53.867 54.000 0.075 0.000 1.091 839 D CB -0.001 40.835 40.800 0.060 0.000 1.364 839 D HN 0.449 nan 8.370 nan 0.000 0.613 840 A N -0.799 122.045 122.820 0.040 0.000 2.019 840 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 840 A C 1.422 179.011 177.584 0.010 0.000 1.164 840 A CA 1.390 53.442 52.037 0.025 0.000 0.644 840 A CB -0.695 18.318 19.000 0.022 0.000 0.805 840 A HN 0.509 nan 8.150 nan 0.000 0.449 841 N N -1.664 117.041 118.700 0.008 0.000 2.317 841 N HA 0.066 4.806 4.740 -0.001 0.000 0.199 841 N C -0.469 175.032 175.510 -0.015 0.000 1.145 841 N CA 0.651 53.697 53.050 -0.006 0.000 0.882 841 N CB 0.737 39.222 38.487 -0.003 0.000 1.113 841 N HN 0.296 nan 8.380 nan 0.000 0.486 842 T N 0.605 115.156 114.554 -0.006 0.000 2.893 842 T HA 0.462 4.811 4.350 -0.001 0.000 0.293 842 T C -0.556 174.138 174.700 -0.010 0.000 1.027 842 T CA -0.657 61.434 62.100 -0.015 0.000 0.988 842 T CB 2.880 71.744 68.868 -0.007 0.000 1.043 842 T HN -0.028 nan 8.240 nan 0.000 0.461 843 R N 1.897 122.374 120.500 -0.039 0.000 2.686 843 R HA 0.735 5.074 4.340 -0.001 0.000 0.283 843 R C -2.024 174.252 176.300 -0.040 0.000 0.978 843 R CA -0.903 55.175 56.100 -0.038 0.000 0.897 843 R CB 1.361 31.573 30.300 -0.148 0.000 1.192 843 R HN 0.471 nan 8.270 nan 0.000 0.457 844 L N 2.576 123.808 121.223 0.014 0.000 2.349 844 L HA 0.521 4.860 4.340 -0.001 0.000 0.278 844 L C -1.391 175.518 176.870 0.066 0.000 0.996 844 L CA 0.091 54.933 54.840 0.003 0.000 0.825 844 L CB 2.330 44.381 42.059 -0.013 0.000 1.243 844 L HN 0.656 nan 8.230 nan 0.000 0.412 845 T N 5.668 120.239 114.554 0.029 0.000 2.824 845 T HA 0.564 4.914 4.350 -0.001 0.000 0.282 845 T C -1.126 173.638 174.700 0.106 0.000 0.993 845 T CA -0.279 61.878 62.100 0.095 0.000 0.967 845 T CB 1.446 70.293 68.868 -0.036 0.000 0.960 845 T HN 0.469 nan 8.240 nan 0.000 0.441 846 L N 5.091 126.414 121.223 0.167 0.000 2.298 846 L HA 0.545 4.884 4.340 -0.001 0.000 0.284 846 L C -1.304 175.713 176.870 0.245 0.000 1.013 846 L CA -0.694 54.255 54.840 0.182 0.000 0.824 846 L CB 0.498 42.645 42.059 0.147 0.000 1.221 846 L HN 0.411 nan 8.230 nan 0.000 0.418 847 L N 3.851 125.220 121.223 0.243 0.000 2.343 847 L HA 0.657 4.996 4.340 -0.001 0.000 0.275 847 L C 0.525 177.543 176.870 0.246 0.000 1.056 847 L CA -0.265 54.716 54.840 0.234 0.000 0.804 847 L CB 1.464 43.627 42.059 0.174 0.000 1.203 847 L HN 0.764 nan 8.230 nan 0.000 0.440 848 T N -2.401 112.250 114.554 0.162 0.000 2.908 848 T HA 0.641 4.990 4.350 -0.001 0.000 0.290 848 T C 0.591 175.253 174.700 -0.063 0.000 1.034 848 T CA -0.309 61.796 62.100 0.009 0.000 1.010 848 T CB 1.985 70.873 68.868 0.033 0.000 1.068 848 T HN 0.677 nan 8.240 nan 0.000 0.481 849 G N 1.152 109.840 108.800 -0.186 0.000 3.502 849 G HA2 0.444 4.403 3.960 -0.001 0.000 0.267 849 G HA3 0.444 4.403 3.960 -0.001 0.000 0.267 849 G C 0.061 174.903 174.900 -0.096 0.000 1.090 849 G CA -0.385 44.645 45.100 -0.117 0.000 0.795 849 G HN 0.952 nan 8.290 nan 0.000 0.535 850 Q N -0.154 119.586 119.800 -0.100 0.000 2.545 850 Q HA 0.292 4.631 4.340 -0.001 0.000 0.273 850 Q C -3.564 172.406 176.000 -0.051 0.000 0.975 850 Q CA -2.163 53.605 55.803 -0.059 0.000 0.876 850 Q CB 1.805 30.523 28.738 -0.033 0.000 1.472 850 Q HN 0.017 nan 8.270 nan 0.000 0.389 851 P HA 0.495 nan 4.420 nan 0.000 0.281 851 P C -0.709 176.581 177.300 -0.017 0.000 1.252 851 P CA -0.197 62.889 63.100 -0.024 0.000 0.778 851 P CB 1.101 32.793 31.700 -0.014 0.000 0.895 852 L N 1.624 122.830 121.223 -0.027 0.000 2.397 852 L HA 0.681 5.020 4.340 -0.001 0.000 0.251 852 L C 0.724 177.608 176.870 0.025 0.000 1.064 852 L CA -1.137 53.708 54.840 0.008 0.000 0.859 852 L CB 2.089 44.136 42.059 -0.020 0.000 1.468 852 L HN 0.350 nan 8.230 nan 0.000 0.411 853 G N -1.005 107.865 108.800 0.118 0.000 2.425 853 G HA2 0.686 4.645 3.960 -0.001 0.000 0.302 853 G HA3 0.686 4.645 3.960 -0.001 0.000 0.302 853 G C -0.556 174.353 174.900 0.015 0.000 1.159 853 G CA 0.048 45.269 45.100 0.202 0.000 0.865 853 G HN 0.865 nan 8.290 nan 0.000 0.515 854 G N -1.405 107.200 108.800 -0.326 0.000 2.550 854 G HA2 0.693 4.652 3.960 -0.001 0.000 0.293 854 G HA3 0.693 4.652 3.960 -0.001 0.000 0.293 854 G C -1.095 173.327 174.900 -0.797 0.000 1.402 854 G CA 0.506 45.222 45.100 -0.640 0.000 0.784 854 G HN 1.345 nan 8.290 nan 0.000 0.482 855 S N -1.857 113.455 115.700 -0.646 0.000 2.694 855 S HA 0.742 5.211 4.470 -0.001 0.000 0.273 855 S C -1.589 172.558 174.600 -0.755 0.000 1.180 855 S CA 0.413 58.243 58.200 -0.615 0.000 0.864 855 S CB 1.189 64.112 63.200 -0.461 0.000 1.198 855 S HN 1.647 nan 8.310 nan 0.000 0.499 856 S N 1.369 116.389 115.700 -1.134 0.000 2.652 856 S HA 0.476 4.945 4.470 -0.001 0.000 0.252 856 S C -0.075 174.274 174.600 -0.419 0.000 1.219 856 S CA -0.614 57.144 58.200 -0.738 0.000 1.151 856 S CB -0.032 62.656 63.200 -0.854 0.000 1.080 856 S HN 0.565 nan 8.310 nan 0.000 0.481 857 L N 3.054 124.170 121.223 -0.178 0.000 2.591 857 L HA 0.534 4.873 4.340 -0.001 0.000 0.228 857 L C 0.792 177.655 176.870 -0.013 0.000 1.133 857 L CA 0.216 55.030 54.840 -0.044 0.000 0.880 857 L CB 0.014 42.106 42.059 0.054 0.000 1.033 857 L HN 0.685 nan 8.230 nan 0.000 0.450 858 A N -1.209 121.592 122.820 -0.032 0.000 2.605 858 A HA 0.442 4.761 4.320 -0.001 0.000 0.294 858 A C -0.421 177.161 177.584 -0.004 0.000 1.062 858 A CA -0.456 51.579 52.037 -0.003 0.000 0.682 858 A CB 1.164 20.168 19.000 0.007 0.000 1.278 858 A HN -0.141 nan 8.150 nan 0.000 0.410 859 S N 0.035 115.745 115.700 0.017 0.000 2.593 859 S HA 0.389 4.858 4.470 -0.001 0.000 0.300 859 S C 1.559 176.178 174.600 0.030 0.000 1.267 859 S CA 2.005 60.223 58.200 0.030 0.000 1.065 859 S CB -0.079 63.140 63.200 0.032 0.000 0.807 859 S HN 2.663 nan 8.310 nan 0.000 0.499 860 G N 3.441 112.263 108.800 0.038 0.000 2.179 860 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.260 860 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.260 860 G C -0.175 174.729 174.900 0.006 0.000 0.977 860 G CA 0.507 45.631 45.100 0.041 0.000 0.641 860 G HN 0.724 nan 8.290 nan 0.000 0.533 861 E N -0.490 119.697 120.200 -0.022 0.000 2.212 861 E HA 0.772 5.121 4.350 -0.001 0.000 0.270 861 E C -0.235 176.303 176.600 -0.104 0.000 0.956 861 E CA -0.712 55.651 56.400 -0.061 0.000 0.825 861 E CB 1.877 31.541 29.700 -0.059 0.000 1.167 861 E HN 0.233 nan 8.360 nan 0.000 0.400 862 L N 1.883 123.039 121.223 -0.113 0.000 2.422 862 L HA 0.447 4.786 4.340 -0.001 0.000 0.264 862 L C -0.709 176.087 176.870 -0.124 0.000 0.984 862 L CA -0.594 54.168 54.840 -0.129 0.000 0.819 862 L CB 2.079 44.090 42.059 -0.079 0.000 1.330 862 L HN 0.682 nan 8.230 nan 0.000 0.410 863 E N 3.359 123.477 120.200 -0.136 0.000 2.390 863 E HA 0.709 5.058 4.350 -0.001 0.000 0.277 863 E C -1.600 174.946 176.600 -0.090 0.000 0.939 863 E CA -0.843 55.507 56.400 -0.083 0.000 0.769 863 E CB 3.395 33.093 29.700 -0.003 0.000 1.251 863 E HN 0.529 nan 8.360 nan 0.000 0.450 864 I N 2.156 122.710 120.570 -0.026 0.000 2.610 864 I HA 0.318 4.487 4.170 -0.001 0.000 0.289 864 I C -1.462 174.708 176.117 0.088 0.000 1.163 864 I CA -1.062 60.242 61.300 0.007 0.000 1.044 864 I CB 1.961 39.967 38.000 0.010 0.000 1.251 864 I HN 0.785 nan 8.210 nan 0.000 0.424 865 M N 6.227 125.916 119.600 0.149 0.000 2.228 865 M HA 0.220 4.699 4.480 -0.001 0.000 0.351 865 M C 0.606 176.993 176.300 0.144 0.000 1.233 865 M CA 0.647 56.045 55.300 0.163 0.000 1.129 865 M CB 0.910 33.584 32.600 0.123 0.000 1.604 865 M HN 0.589 nan 8.290 nan 0.000 0.457 866 Q N 1.414 121.333 119.800 0.199 0.000 2.287 866 Q HA 0.252 4.591 4.340 -0.001 0.000 0.201 866 Q C -0.265 175.936 176.000 0.336 0.000 0.946 866 Q CA 0.847 56.832 55.803 0.304 0.000 0.868 866 Q CB 0.360 29.312 28.738 0.356 0.000 0.967 866 Q HN 0.765 nan 8.270 nan 0.000 0.516 867 D N -0.959 119.574 120.400 0.221 0.000 2.653 867 D HA 0.279 4.918 4.640 -0.001 0.000 0.258 867 D C -1.459 174.912 176.300 0.118 0.000 1.252 867 D CA -0.489 53.620 54.000 0.181 0.000 0.777 867 D CB 1.438 42.340 40.800 0.170 0.000 1.339 867 D HN 0.046 nan 8.370 nan 0.000 0.422 868 R N 0.959 121.517 120.500 0.097 0.000 2.584 868 R HA 0.692 5.031 4.340 -0.001 0.000 0.276 868 R C -1.044 175.300 176.300 0.073 0.000 1.046 868 R CA -1.057 55.083 56.100 0.068 0.000 0.906 868 R CB 2.172 32.483 30.300 0.018 0.000 1.215 868 R HN 0.326 nan 8.270 nan 0.000 0.449 869 R N 3.766 124.307 120.500 0.068 0.000 2.476 869 R HA 0.480 4.819 4.340 -0.001 0.000 0.305 869 R C -1.454 174.881 176.300 0.058 0.000 0.965 869 R CA -0.609 55.529 56.100 0.062 0.000 0.867 869 R CB 1.333 31.667 30.300 0.057 0.000 1.176 869 R HN 0.713 nan 8.270 nan 0.000 0.447 870 L N 3.922 125.177 121.223 0.053 0.000 2.376 870 L HA 0.518 4.858 4.340 -0.001 0.000 0.275 870 L C 0.672 177.568 176.870 0.043 0.000 0.987 870 L CA -0.570 54.300 54.840 0.049 0.000 0.828 870 L CB 2.155 44.242 42.059 0.048 0.000 1.249 870 L HN 0.811 nan 8.230 nan 0.000 0.409 871 A N 1.603 124.446 122.820 0.039 0.000 2.208 871 A HA 0.234 4.553 4.320 -0.001 0.000 0.209 871 A C 0.861 178.463 177.584 0.030 0.000 1.161 871 A CA 0.487 52.544 52.037 0.033 0.000 0.782 871 A CB 0.026 19.045 19.000 0.031 0.000 0.816 871 A HN 0.606 nan 8.150 nan 0.000 0.477 872 S N -0.524 115.194 115.700 0.031 0.000 2.648 872 S HA 0.447 4.917 4.470 -0.001 0.000 0.305 872 S C -0.819 173.799 174.600 0.031 0.000 1.094 872 S CA -0.671 57.545 58.200 0.027 0.000 0.983 872 S CB 1.543 64.755 63.200 0.021 0.000 1.101 872 S HN 0.469 nan 8.310 nan 0.000 0.514 873 D N 0.168 120.586 120.400 0.030 0.000 2.264 873 D HA 0.294 4.934 4.640 -0.001 0.000 0.249 873 D C -0.229 176.089 176.300 0.031 0.000 1.070 873 D CA -0.487 53.539 54.000 0.043 0.000 0.912 873 D CB 0.766 41.592 40.800 0.043 0.000 1.193 873 D HN 0.479 nan 8.370 nan 0.000 0.427 874 D N 1.963 122.388 120.400 0.042 0.000 2.427 874 D HA 0.045 4.684 4.640 -0.001 0.000 0.224 874 D C -0.396 175.875 176.300 -0.049 0.000 1.157 874 D CA -0.222 53.773 54.000 -0.010 0.000 0.828 874 D CB -0.356 40.427 40.800 -0.029 0.000 0.974 874 D HN 0.611 nan 8.370 nan 0.000 0.498 875 E N -0.042 120.153 120.200 -0.008 0.000 2.476 875 E HA -0.229 4.120 4.350 -0.001 0.000 0.251 875 E C 0.275 176.851 176.600 -0.039 0.000 1.130 875 E CA 0.212 56.604 56.400 -0.013 0.000 0.736 875 E CB -0.936 28.749 29.700 -0.024 0.000 1.298 875 E HN 0.295 nan 8.360 nan 0.000 0.400 876 R N -0.628 119.834 120.500 -0.063 0.000 2.472 876 R HA 0.196 4.535 4.340 -0.001 0.000 0.279 876 R C 1.508 177.876 176.300 0.114 0.000 0.953 876 R CA 0.718 56.724 56.100 -0.155 0.000 1.088 876 R CB 1.070 30.921 30.300 -0.749 0.000 1.197 876 R HN 0.437 nan 8.270 nan 0.000 0.536 877 G N 0.715 109.652 108.800 0.229 0.000 2.231 877 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.206 877 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.206 877 G C 0.723 175.789 174.900 0.276 0.000 0.996 877 G CA 0.188 45.506 45.100 0.364 0.000 0.645 877 G HN 0.269 nan 8.290 nan 0.000 0.498 878 L N 1.680 123.139 121.223 0.393 0.000 2.141 878 L HA 0.445 4.785 4.340 -0.001 0.000 0.209 878 L C 2.140 179.009 176.870 -0.002 0.000 1.094 878 L CA 2.496 57.442 54.840 0.177 0.000 0.763 878 L CB -0.604 41.696 42.059 0.401 0.000 0.908 878 L HN 1.668 nan 8.230 nan 0.000 0.437 879 G N -0.070 108.764 108.800 0.056 0.000 2.249 879 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.273 879 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.273 879 G C 0.058 174.966 174.900 0.014 0.000 1.036 879 G CA 0.741 45.852 45.100 0.018 0.000 0.824 879 G HN 0.835 nan 8.290 nan 0.000 0.504 880 Q N -2.182 117.639 119.800 0.036 0.000 2.647 880 Q HA 0.650 4.989 4.340 -0.001 0.000 0.283 880 Q C 0.324 176.350 176.000 0.044 0.000 0.943 880 Q CA -0.529 55.292 55.803 0.031 0.000 0.813 880 Q CB 0.352 29.103 28.738 0.022 0.000 1.477 880 Q HN 0.987 nan 8.270 nan 0.000 0.393 881 G N 0.167 108.990 108.800 0.038 0.000 2.531 881 G HA2 0.536 4.496 3.960 -0.001 0.000 0.253 881 G HA3 0.536 4.496 3.960 -0.001 0.000 0.253 881 G C -0.966 173.959 174.900 0.043 0.000 1.439 881 G CA -0.602 44.523 45.100 0.040 0.000 1.056 881 G HN 0.446 nan 8.290 nan 0.000 0.555 882 V N 0.822 120.763 119.914 0.046 0.000 2.305 882 V HA 0.367 4.486 4.120 -0.001 0.000 0.275 882 V C -0.087 176.040 176.094 0.056 0.000 1.020 882 V CA -0.160 62.173 62.300 0.055 0.000 0.811 882 V CB 0.894 32.753 31.823 0.060 0.000 1.031 882 V HN 0.521 nan 8.190 nan 0.000 0.439 883 L N 3.943 125.198 121.223 0.053 0.000 3.347 883 L HA 0.353 4.692 4.340 -0.001 0.000 0.306 883 L C 0.381 177.279 176.870 0.047 0.000 1.301 883 L CA -0.023 54.845 54.840 0.047 0.000 0.985 883 L CB 0.760 42.841 42.059 0.038 0.000 1.400 883 L HN 0.667 nan 8.230 nan 0.000 0.601 884 D N -2.496 117.940 120.400 0.060 0.000 2.501 884 D HA 0.056 4.695 4.640 -0.001 0.000 0.226 884 D C 0.191 176.534 176.300 0.071 0.000 1.198 884 D CA -0.468 53.569 54.000 0.061 0.000 0.830 884 D CB -0.265 40.576 40.800 0.069 0.000 1.014 884 D HN 0.089 nan 8.370 nan 0.000 0.496 885 N N 1.787 120.529 118.700 0.070 0.000 2.345 885 N HA 0.072 4.811 4.740 -0.001 0.000 0.243 885 N C 0.174 175.701 175.510 0.028 0.000 1.246 885 N CA 0.488 53.581 53.050 0.071 0.000 0.863 885 N CB 0.585 39.110 38.487 0.064 0.000 1.096 885 N HN 0.315 nan 8.380 nan 0.000 0.446 886 K N -0.300 120.107 120.400 0.012 0.000 2.512 886 K HA 0.551 4.871 4.320 -0.001 0.000 0.263 886 K C -3.261 173.321 176.600 -0.031 0.000 0.966 886 K CA -2.035 54.214 56.287 -0.063 0.000 0.851 886 K CB 1.222 33.594 32.500 -0.212 0.000 1.395 886 K HN 0.116 nan 8.250 nan 0.000 0.440 887 P HA -0.003 nan 4.420 nan 0.000 0.264 887 P C -1.048 176.274 177.300 0.036 0.000 1.193 887 P CA -0.386 62.697 63.100 -0.027 0.000 0.763 887 P CB 0.758 32.429 31.700 -0.048 0.000 0.810 888 V N 5.202 125.102 119.914 -0.023 0.000 2.841 888 V HA 0.487 4.606 4.120 -0.001 0.000 0.310 888 V C -1.373 174.581 176.094 -0.233 0.000 1.090 888 V CA -1.104 61.156 62.300 -0.067 0.000 0.930 888 V CB 2.165 33.922 31.823 -0.110 0.000 1.014 888 V HN 0.268 nan 8.190 nan 0.000 0.425 889 L N 6.861 127.968 121.223 -0.194 0.000 2.272 889 L HA 0.591 4.930 4.340 -0.001 0.000 0.284 889 L C -0.347 176.476 176.870 -0.079 0.000 1.045 889 L CA 0.129 54.887 54.840 -0.137 0.000 0.842 889 L CB 0.326 42.330 42.059 -0.092 0.000 1.224 889 L HN 0.702 nan 8.230 nan 0.000 0.430 890 H N 5.722 124.802 119.070 0.017 0.000 2.582 890 H HA 0.459 5.014 4.556 -0.001 0.000 0.345 890 H C -0.046 175.176 175.328 -0.178 0.000 1.104 890 H CA -0.160 55.844 56.048 -0.074 0.000 1.390 890 H CB 1.212 31.007 29.762 0.055 0.000 1.461 890 H HN 0.699 nan 8.280 nan 0.000 0.551 891 I N 0.126 120.520 120.570 -0.294 0.000 2.740 891 I HA 0.627 4.796 4.170 -0.001 0.000 0.303 891 I C -1.387 174.358 176.117 -0.621 0.000 1.044 891 I CA -0.943 60.194 61.300 -0.271 0.000 1.064 891 I CB 2.140 40.080 38.000 -0.100 0.000 1.249 891 I HN 0.258 nan 8.210 nan 0.000 0.433 892 Y N 2.165 122.509 120.300 0.073 0.000 2.670 892 Y HA 0.679 5.228 4.550 -0.001 0.000 0.334 892 Y C -0.722 175.226 175.900 0.081 0.000 1.185 892 Y CA -1.105 57.046 58.100 0.085 0.000 1.053 892 Y CB 1.554 40.083 38.460 0.115 0.000 1.298 892 Y HN 0.417 nan 8.280 nan 0.000 0.459 893 R N 1.425 122.084 120.500 0.265 0.000 2.621 893 R HA 0.587 4.926 4.340 -0.001 0.000 0.292 893 R C -1.966 174.445 176.300 0.185 0.000 0.969 893 R CA -1.084 55.123 56.100 0.178 0.000 0.887 893 R CB 2.584 32.950 30.300 0.110 0.000 1.180 893 R HN 0.634 nan 8.270 nan 0.000 0.450 894 L N 2.838 124.154 121.223 0.154 0.000 2.319 894 L HA 0.440 4.779 4.340 -0.001 0.000 0.281 894 L C -1.124 175.779 176.870 0.055 0.000 1.005 894 L CA -0.584 54.324 54.840 0.113 0.000 0.828 894 L CB 1.827 43.968 42.059 0.138 0.000 1.227 894 L HN 0.318 nan 8.230 nan 0.000 0.415 895 V N 6.230 126.159 119.914 0.025 0.000 2.350 895 V HA 0.427 4.546 4.120 -0.001 0.000 0.285 895 V C -0.359 175.712 176.094 -0.039 0.000 1.014 895 V CA -0.590 61.704 62.300 -0.009 0.000 0.831 895 V CB 1.409 33.217 31.823 -0.026 0.000 1.000 895 V HN 0.640 nan 8.190 nan 0.000 0.433 896 L N 5.939 127.136 121.223 -0.043 0.000 2.295 896 L HA 0.801 5.140 4.340 -0.001 0.000 0.285 896 L C -0.114 176.720 176.870 -0.062 0.000 1.035 896 L CA 0.418 55.224 54.840 -0.057 0.000 0.806 896 L CB 1.309 43.332 42.059 -0.060 0.000 1.214 896 L HN 0.877 nan 8.230 nan 0.000 0.426 897 E N 2.942 123.098 120.200 -0.073 0.000 2.412 897 E HA 0.437 4.786 4.350 -0.001 0.000 0.279 897 E C -1.477 175.078 176.600 -0.074 0.000 0.984 897 E CA -1.197 55.157 56.400 -0.077 0.000 0.788 897 E CB 1.224 30.866 29.700 -0.097 0.000 1.277 897 E HN 0.168 nan 8.360 nan 0.000 0.455 898 K N 1.182 121.543 120.400 -0.066 0.000 2.234 898 K HA 0.248 4.567 4.320 -0.001 0.000 0.282 898 K C 0.466 177.024 176.600 -0.069 0.000 1.039 898 K CA -0.410 55.842 56.287 -0.057 0.000 0.928 898 K CB 1.403 33.874 32.500 -0.047 0.000 1.039 898 K HN 0.533 nan 8.250 nan 0.000 0.470 899 V N -0.233 119.641 119.914 -0.066 0.000 3.166 899 V HA 0.067 4.186 4.120 -0.001 0.000 0.332 899 V C 1.001 177.063 176.094 -0.054 0.000 1.434 899 V CA -0.363 61.891 62.300 -0.077 0.000 1.121 899 V CB -0.239 31.521 31.823 -0.105 0.000 1.062 899 V HN 0.632 nan 8.190 nan 0.000 0.489 900 N N 1.601 120.278 118.700 -0.039 0.000 2.381 900 N HA -0.162 4.577 4.740 -0.001 0.000 0.182 900 N C 1.021 176.512 175.510 -0.031 0.000 1.025 900 N CA 1.817 54.850 53.050 -0.028 0.000 0.888 900 N CB -0.470 38.005 38.487 -0.021 0.000 0.965 900 N HN 0.715 nan 8.380 nan 0.000 0.438 901 N N -0.567 118.110 118.700 -0.039 0.000 2.280 901 N HA 0.135 4.874 4.740 -0.001 0.000 0.192 901 N C -0.369 175.112 175.510 -0.049 0.000 1.109 901 N CA -0.286 52.740 53.050 -0.040 0.000 0.855 901 N CB 0.410 38.873 38.487 -0.040 0.000 0.974 901 N HN 0.140 nan 8.380 nan 0.000 0.482 902 c N 1.189 119.754 118.600 -0.058 0.000 2.601 902 c HA 0.225 4.794 4.570 -0.001 0.000 0.409 902 c C 0.952 175.007 174.090 -0.059 0.000 1.293 902 c CA -1.024 55.264 56.329 -0.070 0.000 2.101 902 c CB 0.482 42.937 42.510 -0.092 0.000 2.639 902 c HN 0.063 nan 8.230 nan 0.000 0.592 903 V N 5.269 125.145 119.914 -0.064 0.000 2.370 903 V HA 0.207 4.326 4.120 -0.001 0.000 0.257 903 V C 0.642 176.702 176.094 -0.057 0.000 1.064 903 V CA 0.400 62.666 62.300 -0.056 0.000 0.975 903 V CB -0.713 31.072 31.823 -0.063 0.000 1.067 903 V HN 0.788 nan 8.190 nan 0.000 0.485 904 R N 4.610 125.089 120.500 -0.036 0.000 2.758 904 R HA 0.554 4.894 4.340 -0.001 0.000 0.265 904 R C -2.433 173.862 176.300 -0.007 0.000 1.016 904 R CA -1.832 54.254 56.100 -0.022 0.000 1.040 904 R CB 1.181 31.472 30.300 -0.016 0.000 1.152 904 R HN 0.399 nan 8.270 nan 0.000 0.503 905 P HA -0.013 nan 4.420 nan 0.000 0.271 905 P C -0.449 176.889 177.300 0.064 0.000 1.233 905 P CA -0.283 62.801 63.100 -0.027 0.000 0.789 905 P CB 0.603 32.190 31.700 -0.188 0.000 0.951 906 S N 0.603 116.372 115.700 0.115 0.000 2.617 906 S HA 0.122 4.591 4.470 -0.001 0.000 0.259 906 S C 1.066 175.746 174.600 0.133 0.000 1.301 906 S CA -0.272 57.995 58.200 0.113 0.000 0.984 906 S CB 0.340 63.605 63.200 0.109 0.000 0.954 906 S HN 0.301 nan 8.310 nan 0.000 0.572 907 K N 0.040 120.500 120.400 0.100 0.000 2.281 907 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 907 K C 1.492 178.146 176.600 0.091 0.000 1.046 907 K CA 1.236 57.578 56.287 0.092 0.000 0.938 907 K CB -0.563 31.976 32.500 0.064 0.000 0.737 907 K HN 0.532 nan 8.250 nan 0.000 0.458 908 L N -0.091 121.190 121.223 0.095 0.000 2.567 908 L HA 0.034 4.373 4.340 -0.001 0.000 0.225 908 L C 1.018 177.942 176.870 0.089 0.000 1.119 908 L CA -0.183 54.699 54.840 0.070 0.000 0.871 908 L CB -0.224 41.861 42.059 0.044 0.000 1.036 908 L HN 0.253 nan 8.230 nan 0.000 0.459 909 H N 3.203 122.310 119.070 0.061 0.000 2.803 909 H HA 0.078 4.633 4.556 -0.001 0.000 0.330 909 H C -1.584 173.784 175.328 0.067 0.000 1.057 909 H CA -1.448 54.649 56.048 0.082 0.000 1.458 909 H CB 1.708 31.546 29.762 0.125 0.000 1.470 909 H HN -0.052 nan 8.280 nan 0.000 0.560 910 P HA 0.095 nan 4.420 nan 0.000 0.241 910 P C -0.198 177.212 177.300 0.182 0.000 1.191 910 P CA 0.208 63.354 63.100 0.077 0.000 0.771 910 P CB 0.520 32.190 31.700 -0.050 0.000 0.929 911 A N -0.276 122.821 122.820 0.463 0.000 2.288 911 A HA 0.756 5.075 4.320 -0.001 0.000 0.328 911 A C 0.175 177.803 177.584 0.074 0.000 1.123 911 A CA -0.297 51.872 52.037 0.220 0.000 0.861 911 A CB 1.148 20.284 19.000 0.226 0.000 1.272 911 A HN 0.174 nan 8.150 nan 0.000 0.490 912 G N -1.502 107.198 108.800 -0.168 0.000 2.642 912 G HA2 0.632 4.591 3.960 -0.001 0.000 0.293 912 G HA3 0.632 4.591 3.960 -0.001 0.000 0.293 912 G C -1.868 172.634 174.900 -0.663 0.000 1.341 912 G CA -0.380 44.545 45.100 -0.292 0.000 0.916 912 G HN 0.525 nan 8.290 nan 0.000 0.474 913 Y N -0.749 119.525 120.300 -0.044 0.000 2.534 913 Y HA 0.498 5.047 4.550 -0.001 0.000 0.345 913 Y C 0.351 176.022 175.900 -0.382 0.000 1.031 913 Y CA -0.887 57.118 58.100 -0.158 0.000 1.022 913 Y CB 2.000 40.356 38.460 -0.174 0.000 1.292 913 Y HN 0.359 nan 8.280 nan 0.000 0.459 914 L N 2.015 123.078 121.223 -0.268 0.000 2.466 914 L HA 0.411 4.751 4.340 -0.001 0.000 0.257 914 L C 0.694 177.421 176.870 -0.239 0.000 1.189 914 L CA -0.523 54.081 54.840 -0.393 0.000 0.813 914 L CB 0.832 42.727 42.059 -0.272 0.000 1.118 914 L HN 0.802 nan 8.230 nan 0.000 0.471 915 T N -2.809 111.596 114.554 -0.248 0.000 2.881 915 T HA 0.086 4.435 4.350 -0.001 0.000 0.278 915 T C 1.099 175.751 174.700 -0.079 0.000 0.982 915 T CA -0.194 61.807 62.100 -0.166 0.000 0.989 915 T CB 1.564 70.327 68.868 -0.175 0.000 1.058 915 T HN 0.593 nan 8.240 nan 0.000 0.529 916 S N 0.413 116.079 115.700 -0.056 0.000 2.359 916 S HA -0.154 4.315 4.470 -0.001 0.000 0.224 916 S C 2.334 176.946 174.600 0.020 0.000 1.035 916 S CA 1.552 59.753 58.200 0.001 0.000 1.018 916 S CB -1.252 61.934 63.200 -0.024 0.000 0.876 916 S HN 0.918 nan 8.310 nan 0.000 0.448 917 A N 1.116 123.924 122.820 -0.021 0.000 1.933 917 A HA 0.234 4.553 4.320 -0.001 0.000 0.218 917 A C 2.454 180.031 177.584 -0.012 0.000 1.175 917 A CA 1.843 53.870 52.037 -0.018 0.000 0.628 917 A CB -1.290 17.690 19.000 -0.034 0.000 0.814 917 A HN 0.797 nan 8.150 nan 0.000 0.444 918 A N -1.437 121.363 122.820 -0.033 0.000 1.929 918 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 918 A C 2.108 179.715 177.584 0.039 0.000 1.176 918 A CA 1.556 53.575 52.037 -0.029 0.000 0.628 918 A CB -0.883 18.040 19.000 -0.127 0.000 0.816 918 A HN 0.778 nan 8.150 nan 0.000 0.444 919 H N -0.041 119.015 119.070 -0.024 0.000 2.357 919 H HA -0.024 4.532 4.556 -0.001 0.000 0.301 919 H C 1.820 177.186 175.328 0.064 0.000 1.082 919 H CA 1.738 57.810 56.048 0.040 0.000 1.342 919 H CB -0.011 29.769 29.762 0.029 0.000 1.389 919 H HN 0.437 nan 8.280 nan 0.000 0.511 920 K N 0.230 120.573 120.400 -0.095 0.000 2.097 920 K HA -0.051 4.268 4.320 -0.001 0.000 0.205 920 K C 2.395 178.953 176.600 -0.070 0.000 1.050 920 K CA 0.809 57.026 56.287 -0.117 0.000 0.938 920 K CB 0.003 32.492 32.500 -0.020 0.000 0.718 920 K HN 0.255 nan 8.250 nan 0.000 0.442 921 A N 0.859 123.664 122.820 -0.025 0.000 1.902 921 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 921 A C 2.195 179.783 177.584 0.007 0.000 1.181 921 A CA 2.068 54.107 52.037 0.004 0.000 0.623 921 A CB -0.730 18.286 19.000 0.026 0.000 0.818 921 A HN 0.282 nan 8.150 nan 0.000 0.443 922 S N -0.666 115.042 115.700 0.013 0.000 2.368 922 S HA -0.243 4.226 4.470 -0.001 0.000 0.225 922 S C 2.129 176.726 174.600 -0.006 0.000 1.030 922 S CA 1.768 59.995 58.200 0.044 0.000 0.999 922 S CB -0.412 62.864 63.200 0.126 0.000 0.844 922 S HN 0.681 nan 8.310 nan 0.000 0.459 923 Q N 0.582 120.332 119.800 -0.084 0.000 2.170 923 Q HA -0.081 4.258 4.340 -0.001 0.000 0.203 923 Q C 2.499 178.464 176.000 -0.058 0.000 0.976 923 Q CA 1.627 57.386 55.803 -0.073 0.000 0.858 923 Q CB -0.314 28.359 28.738 -0.108 0.000 0.907 923 Q HN 0.813 nan 8.270 nan 0.000 0.433 924 S N 0.253 115.926 115.700 -0.047 0.000 2.442 924 S HA -0.083 4.386 4.470 -0.001 0.000 0.236 924 S C 1.820 176.380 174.600 -0.067 0.000 1.007 924 S CA 0.744 58.915 58.200 -0.048 0.000 0.965 924 S CB -0.198 62.987 63.200 -0.024 0.000 0.773 924 S HN 0.287 nan 8.310 nan 0.000 0.504 925 L N -0.158 121.033 121.223 -0.053 0.000 2.221 925 L HA 0.270 4.609 4.340 -0.001 0.000 0.202 925 L C 2.462 179.277 176.870 -0.092 0.000 1.074 925 L CA 0.543 55.347 54.840 -0.060 0.000 0.795 925 L CB -0.350 41.690 42.059 -0.031 0.000 0.960 925 L HN 0.268 nan 8.230 nan 0.000 0.458 926 L N -1.008 120.169 121.223 -0.078 0.000 2.209 926 L HA 0.027 4.366 4.340 -0.001 0.000 0.207 926 L C 0.203 176.967 176.870 -0.177 0.000 1.094 926 L CA 0.840 55.621 54.840 -0.098 0.000 0.790 926 L CB 0.097 42.127 42.059 -0.049 0.000 0.932 926 L HN 0.203 nan 8.230 nan 0.000 0.447 927 D N 0.257 120.541 120.400 -0.194 0.000 2.613 927 D HA 0.230 4.869 4.640 -0.001 0.000 0.312 927 D C -2.328 173.789 176.300 -0.305 0.000 1.202 927 D CA -0.976 52.847 54.000 -0.295 0.000 0.825 927 D CB 1.264 42.069 40.800 0.008 0.000 1.113 927 D HN 0.061 nan 8.370 nan 0.000 0.502 928 P HA 0.119 nan 4.420 nan 0.000 0.274 928 P C 0.522 177.713 177.300 -0.182 0.000 1.260 928 P CA -0.483 62.477 63.100 -0.234 0.000 0.793 928 P CB 1.530 33.100 31.700 -0.217 0.000 1.048 929 L N 0.627 121.789 121.223 -0.102 0.000 2.461 929 L HA 0.141 4.480 4.340 -0.001 0.000 0.272 929 L C 0.891 177.748 176.870 -0.022 0.000 1.197 929 L CA 0.171 54.990 54.840 -0.034 0.000 0.836 929 L CB -0.184 41.867 42.059 -0.014 0.000 1.105 929 L HN 0.274 nan 8.230 nan 0.000 0.477 930 D N 2.832 123.279 120.400 0.078 0.000 2.225 930 D HA 0.324 4.964 4.640 -0.001 0.000 0.249 930 D C -0.382 175.886 176.300 -0.052 0.000 1.052 930 D CA -0.283 53.698 54.000 -0.032 0.000 0.909 930 D CB 1.716 42.534 40.800 0.030 0.000 1.186 930 D HN 0.349 nan 8.370 nan 0.000 0.431 931 K N 1.379 121.625 120.400 -0.255 0.000 2.376 931 K HA 0.445 4.764 4.320 -0.001 0.000 0.257 931 K C -1.053 175.442 176.600 -0.175 0.000 0.939 931 K CA -0.631 55.639 56.287 -0.028 0.000 0.809 931 K CB 1.524 34.001 32.500 -0.038 0.000 1.121 931 K HN 0.229 nan 8.250 nan 0.000 0.425 932 F N 2.899 123.022 119.950 0.287 0.000 2.507 932 F HA 0.493 5.019 4.527 -0.001 0.000 0.325 932 F C 0.033 176.105 175.800 0.453 0.000 1.116 932 F CA -0.884 57.280 58.000 0.274 0.000 0.930 932 F CB 1.270 40.258 39.000 -0.020 0.000 1.146 932 F HN 0.193 nan 8.300 nan 0.000 0.447 933 I N 3.627 124.573 120.570 0.628 0.000 2.362 933 I HA 0.216 4.385 4.170 -0.001 0.000 0.289 933 I C -0.513 175.897 176.117 0.487 0.000 0.994 933 I CA -0.855 60.741 61.300 0.494 0.000 1.158 933 I CB 1.200 39.390 38.000 0.317 0.000 1.315 933 I HN 0.429 nan 8.210 nan 0.000 0.451 934 F N 5.712 125.835 119.950 0.287 0.000 2.578 934 F HA 0.154 4.680 4.527 -0.001 0.000 0.376 934 F C 1.210 176.941 175.800 -0.115 0.000 1.085 934 F CA 0.074 57.950 58.000 -0.207 0.000 1.260 934 F CB 1.123 40.048 39.000 -0.125 0.000 1.095 934 F HN 0.598 nan 8.300 nan 0.000 0.573 935 A N 3.793 126.051 122.820 -0.938 0.000 2.072 935 A HA 0.097 4.416 4.320 -0.001 0.000 0.216 935 A C 0.912 178.213 177.584 -0.472 0.000 1.156 935 A CA 0.459 52.158 52.037 -0.564 0.000 0.701 935 A CB -0.329 18.370 19.000 -0.502 0.000 0.816 935 A HN 0.641 nan 8.150 nan 0.000 0.458 936 E N -0.240 119.510 120.200 -0.750 0.000 2.330 936 E HA 0.250 4.599 4.350 -0.001 0.000 0.256 936 E C 0.412 177.098 176.600 0.143 0.000 1.146 936 E CA -0.833 55.445 56.400 -0.203 0.000 0.945 936 E CB 0.152 29.790 29.700 -0.103 0.000 1.182 936 E HN 0.153 nan 8.360 nan 0.000 0.480 937 N N 0.547 119.362 118.700 0.191 0.000 2.216 937 N HA -0.089 4.650 4.740 -0.001 0.000 0.183 937 N C -0.120 175.564 175.510 0.290 0.000 1.017 937 N CA 0.845 54.026 53.050 0.218 0.000 0.861 937 N CB 0.306 38.876 38.487 0.137 0.000 0.986 937 N HN 0.430 nan 8.380 nan 0.000 0.428 938 E N -0.579 119.817 120.200 0.327 0.000 2.246 938 E HA 0.099 4.448 4.350 -0.001 0.000 0.266 938 E C -1.482 175.230 176.600 0.188 0.000 0.880 938 E CA -0.676 55.848 56.400 0.207 0.000 0.762 938 E CB 1.216 30.988 29.700 0.121 0.000 1.180 938 E HN 0.019 nan 8.360 nan 0.000 0.416 939 W N 7.631 128.614 121.300 -0.529 0.000 2.288 939 W HA 0.399 5.058 4.660 -0.001 0.000 0.325 939 W C -1.481 174.823 176.519 -0.357 0.000 1.019 939 W CA -1.360 55.490 57.345 -0.825 0.000 1.403 939 W CB -0.206 28.256 29.460 -1.662 0.000 1.226 939 W HN 0.424 nan 8.180 nan 0.000 0.391 940 I N 5.653 126.320 120.570 0.161 0.000 2.441 940 I HA 0.388 4.557 4.170 -0.001 0.000 0.287 940 I C 1.443 177.566 176.117 0.010 0.000 1.049 940 I CA 1.063 62.383 61.300 0.032 0.000 1.381 940 I CB 0.991 39.038 38.000 0.079 0.000 1.409 940 I HN 0.771 nan 8.210 nan 0.000 0.523 941 G N 4.117 112.825 108.800 -0.152 0.000 2.157 941 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.248 941 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.248 941 G C 0.450 175.117 174.900 -0.388 0.000 0.979 941 G CA -0.171 44.830 45.100 -0.166 0.000 0.650 941 G HN 1.030 nan 8.290 nan 0.000 0.529 942 A N -0.235 122.070 122.820 -0.859 0.000 2.561 942 A HA 0.526 4.845 4.320 -0.001 0.000 0.234 942 A C 0.599 177.761 177.584 -0.705 0.000 1.055 942 A CA 0.902 52.085 52.037 -1.423 0.000 0.756 942 A CB 0.207 18.051 19.000 -1.926 0.000 0.986 942 A HN 0.639 nan 8.150 nan 0.000 0.505 943 Q N 0.818 120.284 119.800 -0.558 0.000 2.399 943 Q HA 0.517 4.856 4.340 -0.001 0.000 0.276 943 Q C 1.049 176.943 176.000 -0.176 0.000 1.098 943 Q CA -0.258 55.391 55.803 -0.257 0.000 0.827 943 Q CB 1.985 30.643 28.738 -0.134 0.000 1.386 943 Q HN 0.796 nan 8.270 nan 0.000 0.443 944 G N 0.189 108.922 108.800 -0.112 0.000 2.551 944 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.216 944 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.216 944 G C 0.258 175.140 174.900 -0.030 0.000 1.137 944 G CA 0.623 45.674 45.100 -0.082 0.000 0.798 944 G HN 0.453 nan 8.290 nan 0.000 0.536 945 Q N -1.532 118.266 119.800 -0.004 0.000 2.522 945 Q HA 0.528 4.868 4.340 -0.001 0.000 0.285 945 Q C -2.372 173.653 176.000 0.041 0.000 0.982 945 Q CA -0.947 54.867 55.803 0.019 0.000 0.805 945 Q CB 2.155 30.890 28.738 -0.006 0.000 1.457 945 Q HN 0.047 nan 8.270 nan 0.000 0.394 946 F N 1.047 120.908 119.950 -0.149 0.000 2.569 946 F HA 0.641 5.167 4.527 -0.001 0.000 0.312 946 F C 0.446 176.001 175.800 -0.408 0.000 1.109 946 F CA 0.440 58.287 58.000 -0.255 0.000 0.919 946 F CB 2.043 40.904 39.000 -0.231 0.000 1.211 946 F HN 0.677 nan 8.300 nan 0.000 0.446 947 G N 3.050 110.877 108.800 -1.621 0.000 2.157 947 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.239 947 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.239 947 G C 1.058 175.279 174.900 -1.130 0.000 0.982 947 G CA 0.240 44.135 45.100 -2.008 0.000 0.650 947 G HN 1.585 nan 8.290 nan 0.000 0.527 948 G N 1.251 109.678 108.800 -0.623 0.000 2.462 948 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.220 948 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.220 948 G C 1.230 176.051 174.900 -0.131 0.000 1.121 948 G CA 1.828 46.789 45.100 -0.232 0.000 0.758 948 G HN 0.862 nan 8.290 nan 0.000 0.559 949 D N -0.785 119.459 120.400 -0.260 0.000 2.340 949 D HA 0.024 4.663 4.640 -0.001 0.000 0.217 949 D C 0.369 176.664 176.300 -0.010 0.000 1.081 949 D CA -0.475 53.471 54.000 -0.090 0.000 0.842 949 D CB -0.899 39.860 40.800 -0.068 0.000 0.934 949 D HN 0.470 nan 8.370 nan 0.000 0.511 950 H N 1.004 119.964 119.070 -0.182 0.000 2.732 950 H HA 0.241 4.797 4.556 -0.001 0.000 0.351 950 H C -1.979 173.315 175.328 -0.056 0.000 1.090 950 H CA -1.749 54.217 56.048 -0.136 0.000 1.431 950 H CB 0.642 30.275 29.762 -0.215 0.000 1.447 950 H HN 0.018 nan 8.280 nan 0.000 0.582 951 P HA -0.031 nan 4.420 nan 0.000 0.271 951 P C -0.618 176.749 177.300 0.111 0.000 1.218 951 P CA -0.119 63.044 63.100 0.105 0.000 0.780 951 P CB 0.818 32.559 31.700 0.069 0.000 0.901 952 S N 1.901 117.701 115.700 0.167 0.000 2.466 952 S HA 0.578 5.047 4.470 -0.001 0.000 0.313 952 S C 0.015 174.726 174.600 0.187 0.000 1.078 952 S CA -0.575 57.755 58.200 0.217 0.000 1.115 952 S CB -0.747 62.691 63.200 0.396 0.000 1.006 952 S HN 0.504 nan 8.310 nan 0.000 0.487 953 A N 4.312 127.234 122.820 0.169 0.000 2.346 953 A HA 0.499 4.818 4.320 -0.001 0.000 0.252 953 A C 0.553 178.214 177.584 0.128 0.000 1.089 953 A CA -0.521 51.596 52.037 0.134 0.000 0.797 953 A CB 0.188 19.263 19.000 0.125 0.000 1.047 953 A HN 0.906 nan 8.150 nan 0.000 0.494 954 R N 0.027 120.572 120.500 0.075 0.000 2.638 954 R HA -0.024 4.315 4.340 -0.001 0.000 0.268 954 R C 1.457 177.777 176.300 0.033 0.000 1.006 954 R CA 0.943 57.063 56.100 0.033 0.000 1.088 954 R CB 0.328 30.630 30.300 0.003 0.000 0.950 954 R HN 0.916 nan 8.270 nan 0.000 0.419 955 E N 1.921 122.104 120.200 -0.030 0.000 2.267 955 E HA -0.238 4.112 4.350 -0.001 0.000 0.197 955 E C 0.254 176.891 176.600 0.061 0.000 0.998 955 E CA 1.582 57.942 56.400 -0.067 0.000 0.830 955 E CB -0.064 29.572 29.700 -0.106 0.000 0.751 955 E HN 0.770 nan 8.360 nan 0.000 0.491 956 D N 0.600 120.996 120.400 -0.007 0.000 2.340 956 D HA 0.005 4.645 4.640 -0.001 0.000 0.220 956 D C 0.350 176.644 176.300 -0.009 0.000 1.039 956 D CA -0.110 53.838 54.000 -0.087 0.000 0.866 956 D CB -0.034 40.661 40.800 -0.174 0.000 0.913 956 D HN 0.185 nan 8.370 nan 0.000 0.523 957 L N 0.635 121.905 121.223 0.079 0.000 2.322 957 L HA 0.536 4.875 4.340 -0.001 0.000 0.279 957 L C -1.129 175.870 176.870 0.215 0.000 1.036 957 L CA -0.434 54.470 54.840 0.107 0.000 0.807 957 L CB 1.758 43.869 42.059 0.086 0.000 1.226 957 L HN -0.213 nan 8.230 nan 0.000 0.433 958 D N 2.226 122.771 120.400 0.241 0.000 2.732 958 D HA 0.373 5.012 4.640 -0.001 0.000 0.229 958 D C -1.423 175.040 176.300 0.273 0.000 1.152 958 D CA -0.271 53.898 54.000 0.281 0.000 0.854 958 D CB 2.413 43.426 40.800 0.356 0.000 1.590 958 D HN 0.226 nan 8.370 nan 0.000 0.468 959 V N 3.455 123.508 119.914 0.232 0.000 2.258 959 V HA 0.136 4.255 4.120 -0.001 0.000 0.258 959 V C 1.260 177.492 176.094 0.231 0.000 1.121 959 V CA -0.035 62.412 62.300 0.246 0.000 0.942 959 V CB 0.441 32.395 31.823 0.218 0.000 1.170 959 V HN 0.618 nan 8.190 nan 0.000 0.487 960 S N 3.066 118.932 115.700 0.277 0.000 2.383 960 S HA -0.040 4.430 4.470 -0.001 0.000 0.229 960 S C 0.677 175.333 174.600 0.094 0.000 1.030 960 S CA 0.991 59.307 58.200 0.193 0.000 1.002 960 S CB 0.127 63.498 63.200 0.285 0.000 0.829 960 S HN 0.499 nan 8.310 nan 0.000 0.467 961 V N 1.312 121.318 119.914 0.153 0.000 2.808 961 V HA 0.547 4.666 4.120 -0.001 0.000 0.308 961 V C -0.768 175.395 176.094 0.115 0.000 1.099 961 V CA -0.611 61.755 62.300 0.111 0.000 0.920 961 V CB 1.934 33.850 31.823 0.155 0.000 1.014 961 V HN 0.390 nan 8.190 nan 0.000 0.425 962 M N 5.366 124.950 119.600 -0.027 0.000 2.204 962 M HA 0.703 5.182 4.480 -0.001 0.000 0.293 962 M C -1.170 174.959 176.300 -0.286 0.000 0.994 962 M CA -0.490 54.652 55.300 -0.263 0.000 0.925 962 M CB 1.636 34.091 32.600 -0.242 0.000 1.577 962 M HN 0.755 nan 8.290 nan 0.000 0.439 963 R N 3.999 124.259 120.500 -0.399 0.000 2.512 963 R HA 0.428 4.767 4.340 -0.001 0.000 0.291 963 R C -1.435 174.641 176.300 -0.374 0.000 1.097 963 R CA -0.675 55.247 56.100 -0.298 0.000 0.940 963 R CB 1.825 32.038 30.300 -0.144 0.000 1.198 963 R HN 0.914 nan 8.270 nan 0.000 0.429 964 R N 4.475 124.811 120.500 -0.274 0.000 2.401 964 R HA 0.130 4.469 4.340 -0.001 0.000 0.299 964 R C 0.278 176.471 176.300 -0.179 0.000 1.064 964 R CA 0.097 56.064 56.100 -0.222 0.000 1.000 964 R CB 0.597 30.823 30.300 -0.123 0.000 0.973 964 R HN 0.691 nan 8.270 nan 0.000 0.438 965 L N 3.095 124.205 121.223 -0.190 0.000 2.585 965 L HA 0.147 4.487 4.340 -0.001 0.000 0.226 965 L C 0.314 177.135 176.870 -0.083 0.000 1.113 965 L CA 0.001 54.751 54.840 -0.149 0.000 0.876 965 L CB 0.316 42.255 42.059 -0.201 0.000 1.072 965 L HN 0.692 nan 8.230 nan 0.000 0.468 966 T N -2.833 111.683 114.554 -0.065 0.000 2.887 966 T HA 0.461 4.810 4.350 -0.001 0.000 0.288 966 T C -0.264 174.429 174.700 -0.013 0.000 1.021 966 T CA -0.919 61.161 62.100 -0.034 0.000 1.000 966 T CB 2.436 71.289 68.868 -0.024 0.000 1.034 966 T HN -0.089 nan 8.240 nan 0.000 0.467 967 K N 0.872 121.271 120.400 -0.002 0.000 2.102 967 K HA 0.329 4.649 4.320 -0.001 0.000 0.244 967 K C 1.672 178.285 176.600 0.021 0.000 1.021 967 K CA -0.202 56.094 56.287 0.016 0.000 0.913 967 K CB 0.557 33.066 32.500 0.015 0.000 1.062 967 K HN 0.803 nan 8.250 nan 0.000 0.485 968 S N -0.565 115.155 115.700 0.034 0.000 2.442 968 S HA -0.160 4.309 4.470 -0.001 0.000 0.236 968 S C 1.804 176.417 174.600 0.021 0.000 1.007 968 S CA 1.529 59.746 58.200 0.029 0.000 0.965 968 S CB -0.354 62.869 63.200 0.038 0.000 0.773 968 S HN 0.640 nan 8.310 nan 0.000 0.504 969 S N 1.539 117.251 115.700 0.020 0.000 2.561 969 S HA 0.419 4.888 4.470 -0.001 0.000 0.225 969 S C 0.803 175.409 174.600 0.011 0.000 0.977 969 S CA 0.051 58.261 58.200 0.016 0.000 0.926 969 S CB -0.669 62.541 63.200 0.017 0.000 0.769 969 S HN 0.788 nan 8.310 nan 0.000 0.533 970 A N 1.846 124.670 122.820 0.008 0.000 2.451 970 A HA 0.343 4.663 4.320 -0.001 0.000 0.266 970 A C 1.243 178.832 177.584 0.008 0.000 1.119 970 A CA -0.317 51.722 52.037 0.003 0.000 0.786 970 A CB 0.103 19.102 19.000 -0.002 0.000 1.061 970 A HN 0.507 nan 8.150 nan 0.000 0.503 971 K N 1.801 122.204 120.400 0.006 0.000 2.032 971 K HA -0.103 4.217 4.320 -0.001 0.000 0.209 971 K C 0.152 176.760 176.600 0.014 0.000 1.048 971 K CA 1.729 58.022 56.287 0.009 0.000 0.927 971 K CB -0.050 32.454 32.500 0.006 0.000 0.712 971 K HN 0.675 nan 8.250 nan 0.000 0.441 972 T N 2.352 116.911 114.554 0.008 0.000 2.753 972 T HA 0.181 4.530 4.350 -0.001 0.000 0.297 972 T C -0.756 173.955 174.700 0.020 0.000 0.981 972 T CA -0.657 61.451 62.100 0.012 0.000 0.956 972 T CB 1.435 70.300 68.868 -0.005 0.000 0.936 972 T HN 0.076 nan 8.240 nan 0.000 0.463 973 Q N 2.743 122.574 119.800 0.052 0.000 2.299 973 Q HA 0.424 4.763 4.340 -0.001 0.000 0.246 973 Q C 0.070 176.123 176.000 0.088 0.000 0.935 973 Q CA -0.044 55.792 55.803 0.057 0.000 0.887 973 Q CB 1.414 30.187 28.738 0.058 0.000 1.223 973 Q HN 0.556 nan 8.270 nan 0.000 0.439 974 R N 0.342 120.860 120.500 0.030 0.000 2.628 974 R HA 0.666 5.005 4.340 -0.001 0.000 0.288 974 R C -1.064 175.192 176.300 -0.074 0.000 0.980 974 R CA -0.683 55.420 56.100 0.004 0.000 0.891 974 R CB 1.845 32.110 30.300 -0.057 0.000 1.188 974 R HN 0.250 nan 8.270 nan 0.000 0.450 975 V N 1.418 121.289 119.914 -0.073 0.000 2.588 975 V HA 0.611 4.731 4.120 -0.001 0.000 0.304 975 V C 0.144 175.973 176.094 -0.442 0.000 1.042 975 V CA -0.825 61.305 62.300 -0.285 0.000 0.877 975 V CB 2.086 33.758 31.823 -0.252 0.000 0.996 975 V HN 0.949 nan 8.190 nan 0.000 0.425 976 G N 2.942 111.271 108.800 -0.784 0.000 2.388 976 G HA2 0.675 4.634 3.960 -0.001 0.000 0.330 976 G HA3 0.675 4.634 3.960 -0.001 0.000 0.330 976 G C -1.684 172.798 174.900 -0.697 0.000 1.142 976 G CA -0.296 44.182 45.100 -1.036 0.000 0.908 976 G HN 0.491 nan 8.290 nan 0.000 0.473 977 Y N 0.343 120.725 120.300 0.136 0.000 2.425 977 Y HA 0.500 5.049 4.550 -0.001 0.000 0.344 977 Y C -0.139 176.029 175.900 0.448 0.000 0.969 977 Y CA -0.936 57.337 58.100 0.289 0.000 1.052 977 Y CB 2.770 41.365 38.460 0.224 0.000 1.215 977 Y HN 0.343 nan 8.280 nan 0.000 0.451 978 V N 4.756 124.962 119.914 0.486 0.000 2.384 978 V HA 0.381 4.500 4.120 -0.001 0.000 0.287 978 V C -0.886 175.436 176.094 0.379 0.000 1.020 978 V CA -0.629 61.884 62.300 0.355 0.000 0.850 978 V CB 1.467 33.452 31.823 0.271 0.000 0.987 978 V HN 0.506 nan 8.190 nan 0.000 0.436 979 L N 4.858 126.292 121.223 0.352 0.000 2.322 979 L HA 0.645 4.984 4.340 -0.001 0.000 0.281 979 L C -0.658 176.413 176.870 0.335 0.000 1.014 979 L CA -0.177 54.864 54.840 0.336 0.000 0.815 979 L CB 1.465 43.723 42.059 0.331 0.000 1.247 979 L HN 0.785 nan 8.230 nan 0.000 0.421 980 H N 3.775 122.995 119.070 0.251 0.000 2.667 980 H HA 0.586 5.141 4.556 -0.001 0.000 0.353 980 H C -1.225 174.191 175.328 0.148 0.000 1.072 980 H CA -0.672 55.497 56.048 0.202 0.000 1.214 980 H CB 1.228 31.183 29.762 0.321 0.000 1.600 980 H HN 0.580 nan 8.280 nan 0.000 0.527 981 R N 4.209 124.329 120.500 -0.633 0.000 2.437 981 R HA 0.353 4.693 4.340 -0.001 0.000 0.310 981 R C -0.543 175.341 176.300 -0.692 0.000 0.955 981 R CA -0.510 55.314 56.100 -0.461 0.000 0.851 981 R CB 1.586 31.752 30.300 -0.224 0.000 1.161 981 R HN 0.761 nan 8.270 nan 0.000 0.446 982 T N 1.385 115.685 114.554 -0.423 0.000 2.833 982 T HA 0.224 4.573 4.350 -0.001 0.000 0.292 982 T C -0.574 173.954 174.700 -0.286 0.000 1.031 982 T CA -0.483 61.455 62.100 -0.269 0.000 0.937 982 T CB 0.676 69.462 68.868 -0.137 0.000 1.256 982 T HN 0.667 nan 8.240 nan 0.000 0.551 983 N N 0.673 119.229 118.700 -0.241 0.000 2.399 983 N HA 0.483 5.222 4.740 -0.001 0.000 0.284 983 N C -1.485 173.873 175.510 -0.254 0.000 1.025 983 N CA -0.483 52.370 53.050 -0.328 0.000 0.885 983 N CB 0.686 38.823 38.487 -0.583 0.000 1.339 983 N HN 0.472 nan 8.380 nan 0.000 0.487 984 L N 2.746 123.814 121.223 -0.258 0.000 2.334 984 L HA 0.534 4.873 4.340 -0.001 0.000 0.276 984 L C 0.489 177.243 176.870 -0.192 0.000 1.014 984 L CA -0.953 53.771 54.840 -0.194 0.000 0.815 984 L CB 1.632 43.585 42.059 -0.176 0.000 1.268 984 L HN 0.392 nan 8.230 nan 0.000 0.428 985 M N 2.216 121.723 119.600 -0.155 0.000 2.249 985 M HA 0.079 4.558 4.480 -0.001 0.000 0.340 985 M C -0.192 176.027 176.300 -0.135 0.000 1.166 985 M CA 0.389 55.600 55.300 -0.149 0.000 1.115 985 M CB 0.340 32.855 32.600 -0.141 0.000 1.606 985 M HN 0.528 nan 8.290 nan 0.000 0.448 986 Q N 1.984 121.708 119.800 -0.127 0.000 2.349 986 Q HA 0.228 4.567 4.340 -0.001 0.000 0.254 986 Q C -0.463 175.483 176.000 -0.091 0.000 0.980 986 Q CA -0.277 55.463 55.803 -0.106 0.000 0.924 986 Q CB 0.889 29.565 28.738 -0.102 0.000 1.209 986 Q HN 0.782 nan 8.270 nan 0.000 0.445 987 c N 1.474 120.023 118.600 -0.084 0.000 2.849 987 c HA 0.389 4.959 4.570 -0.001 0.000 0.271 987 c C 1.276 175.329 174.090 -0.061 0.000 1.519 987 c CA -0.105 56.179 56.329 -0.074 0.000 1.783 987 c CB -0.639 41.822 42.510 -0.082 0.000 2.869 987 c HN 1.136 nan 8.230 nan 0.000 0.527 988 G N 1.363 110.128 108.800 -0.058 0.000 2.157 988 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.239 988 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.239 988 G C -0.009 174.862 174.900 -0.048 0.000 0.982 988 G CA 0.366 45.436 45.100 -0.050 0.000 0.650 988 G HN 0.467 nan 8.290 nan 0.000 0.527 989 T N 1.846 116.368 114.554 -0.053 0.000 2.733 989 T HA 0.478 4.828 4.350 -0.001 0.000 0.294 989 T C -0.430 174.238 174.700 -0.054 0.000 0.956 989 T CA -0.526 61.546 62.100 -0.048 0.000 0.987 989 T CB 1.881 70.720 68.868 -0.048 0.000 0.920 989 T HN 0.026 nan 8.240 nan 0.000 0.470 990 P HA -0.138 nan 4.420 nan 0.000 0.215 990 P C -0.074 177.175 177.300 -0.084 0.000 1.163 990 P CA 0.679 63.740 63.100 -0.065 0.000 0.894 990 P CB -0.084 31.583 31.700 -0.055 0.000 0.791 991 E N 0.017 120.173 120.200 -0.073 0.000 1.357 991 E HA -0.232 4.117 4.350 -0.001 0.000 0.313 991 E C -0.270 176.253 176.600 -0.128 0.000 1.457 991 E CA 0.630 56.983 56.400 -0.079 0.000 1.143 991 E CB -0.957 28.708 29.700 -0.059 0.000 0.669 991 E HN 0.573 nan 8.360 nan 0.000 0.334 992 E N 1.430 121.494 120.200 -0.227 0.000 2.862 992 E HA 0.060 4.409 4.350 -0.001 0.000 0.204 992 E C -0.512 175.864 176.600 -0.373 0.000 0.966 992 E CA -0.332 55.891 56.400 -0.294 0.000 1.257 992 E CB 0.581 30.085 29.700 -0.327 0.000 1.053 992 E HN 0.370 nan 8.360 nan 0.000 0.487 993 H N 1.901 120.967 119.070 -0.007 0.000 2.486 993 H HA 0.251 4.806 4.556 -0.001 0.000 0.239 993 H C 0.039 175.377 175.328 0.018 0.000 1.480 993 H CA 0.063 56.112 56.048 0.001 0.000 1.324 993 H CB 0.489 30.248 29.762 -0.005 0.000 1.486 993 H HN 0.118 nan 8.280 nan 0.000 0.544 994 T N -0.658 113.958 114.554 0.104 0.000 2.887 994 T HA 0.522 4.871 4.350 -0.001 0.000 0.292 994 T C -0.092 174.656 174.700 0.081 0.000 1.087 994 T CA -1.077 61.081 62.100 0.097 0.000 1.009 994 T CB 2.577 71.488 68.868 0.072 0.000 1.203 994 T HN 0.248 nan 8.240 nan 0.000 0.518 995 Q N 0.697 120.551 119.800 0.089 0.000 2.222 995 Q HA 0.425 4.764 4.340 -0.001 0.000 0.252 995 Q C -0.349 175.679 176.000 0.048 0.000 0.926 995 Q CA -0.910 54.934 55.803 0.067 0.000 0.899 995 Q CB 1.791 30.578 28.738 0.082 0.000 1.250 995 Q HN 0.643 nan 8.270 nan 0.000 0.441 996 K N 1.918 122.333 120.400 0.025 0.000 2.401 996 K HA 0.124 4.443 4.320 -0.001 0.000 0.278 996 K C -1.076 175.528 176.600 0.006 0.000 1.018 996 K CA -0.318 55.974 56.287 0.008 0.000 0.981 996 K CB 0.394 32.888 32.500 -0.009 0.000 0.933 996 K HN 0.410 nan 8.250 nan 0.000 0.477 997 L N 4.623 125.847 121.223 0.001 0.000 2.280 997 L HA 0.303 4.642 4.340 -0.001 0.000 0.287 997 L C -1.251 175.585 176.870 -0.057 0.000 1.023 997 L CA -0.101 54.732 54.840 -0.012 0.000 0.819 997 L CB 1.283 43.347 42.059 0.009 0.000 1.212 997 L HN 0.665 nan 8.230 nan 0.000 0.420 998 D N 3.646 124.002 120.400 -0.072 0.000 2.464 998 D HA 0.155 4.794 4.640 -0.001 0.000 0.243 998 D C 1.054 177.257 176.300 -0.162 0.000 1.104 998 D CA -0.269 53.665 54.000 -0.110 0.000 0.883 998 D CB 1.258 42.035 40.800 -0.039 0.000 1.050 998 D HN 0.385 nan 8.370 nan 0.000 0.524 999 V N 1.547 121.272 119.914 -0.316 0.000 2.594 999 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 999 V C 2.147 177.932 176.094 -0.514 0.000 1.069 999 V CA 1.131 63.086 62.300 -0.575 0.000 1.082 999 V CB -1.096 30.133 31.823 -0.989 0.000 0.680 999 V HN 0.614 nan 8.190 nan 0.000 0.469 1000 c N 0.626 119.053 118.600 -0.288 0.000 2.422 1000 c HA -0.031 4.538 4.570 -0.001 0.000 0.286 1000 c C 2.150 176.126 174.090 -0.191 0.000 1.412 1000 c CA 1.380 57.606 56.329 -0.173 0.000 1.786 1000 c CB -1.819 40.591 42.510 -0.166 0.000 1.835 1000 c HN 0.773 nan 8.230 nan 0.000 0.533 1001 H N -0.866 118.175 119.070 -0.048 0.000 2.520 1001 H HA 0.259 4.814 4.556 -0.001 0.000 0.284 1001 H C 1.694 177.051 175.328 0.050 0.000 1.037 1001 H CA 0.021 56.082 56.048 0.023 0.000 1.168 1001 H CB 0.007 29.768 29.762 -0.002 0.000 1.497 1001 H HN 0.363 nan 8.280 nan 0.000 0.547 1002 L N -0.203 121.067 121.223 0.079 0.000 2.217 1002 L HA -0.003 4.337 4.340 -0.001 0.000 0.211 1002 L C 0.198 177.210 176.870 0.236 0.000 1.107 1002 L CA 0.843 55.763 54.840 0.133 0.000 0.783 1002 L CB 0.139 42.240 42.059 0.070 0.000 0.919 1002 L HN 0.217 nan 8.230 nan 0.000 0.442 1003 L N -0.016 121.304 121.223 0.162 0.000 2.334 1003 L HA 0.403 4.742 4.340 -0.001 0.000 0.273 1003 L C -2.049 174.879 176.870 0.097 0.000 1.013 1003 L CA -1.970 52.907 54.840 0.061 0.000 0.816 1003 L CB 1.756 43.640 42.059 -0.292 0.000 1.278 1003 L HN -0.200 nan 8.230 nan 0.000 0.431 1004 P HA 0.117 nan 4.420 nan 0.000 0.274 1004 P C -0.884 176.528 177.300 0.187 0.000 1.256 1004 P CA -0.263 62.908 63.100 0.119 0.000 0.795 1004 P CB 0.363 32.111 31.700 0.079 0.000 1.038 1005 N N -3.122 115.667 118.700 0.148 0.000 2.725 1005 N HA -0.160 4.580 4.740 -0.001 0.000 0.251 1005 N C 0.000 175.591 175.510 0.135 0.000 1.031 1005 N CA 0.373 53.501 53.050 0.131 0.000 0.720 1005 N CB -2.123 36.431 38.487 0.111 0.000 0.930 1005 N HN 0.287 nan 8.380 nan 0.000 0.543 1006 V N -0.264 119.678 119.914 0.047 0.000 2.572 1006 V HA 0.481 4.600 4.120 -0.001 0.000 0.291 1006 V C 1.162 177.153 176.094 -0.171 0.000 1.039 1006 V CA 0.815 62.971 62.300 -0.241 0.000 1.055 1006 V CB 1.190 32.783 31.823 -0.383 0.000 0.969 1006 V HN 0.446 nan 8.190 nan 0.000 0.482 1007 A N 6.950 129.648 122.820 -0.203 0.000 2.259 1007 A HA 0.509 4.828 4.320 -0.001 0.000 0.213 1007 A C 0.923 178.467 177.584 -0.066 0.000 1.209 1007 A CA 0.053 52.035 52.037 -0.093 0.000 0.910 1007 A CB 0.210 19.171 19.000 -0.065 0.000 0.946 1007 A HN 0.809 nan 8.150 nan 0.000 0.497 1008 R N -2.081 118.349 120.500 -0.117 0.000 2.687 1008 R HA 0.460 4.800 4.340 -0.001 0.000 0.265 1008 R C -2.348 173.924 176.300 -0.047 0.000 1.048 1008 R CA -0.311 55.784 56.100 -0.009 0.000 0.884 1008 R CB 1.191 31.512 30.300 0.035 0.000 1.258 1008 R HN 0.288 nan 8.270 nan 0.000 0.469 1009 c N 2.460 121.090 118.600 0.050 0.000 2.446 1009 c HA 0.613 5.182 4.570 -0.001 0.000 0.329 1009 c C -1.263 172.928 174.090 0.169 0.000 1.166 1009 c CA -0.213 56.152 56.329 0.059 0.000 1.341 1009 c CB 1.193 43.703 42.510 0.000 0.000 1.970 1009 c HN 0.912 nan 8.230 nan 0.000 0.452 1010 E N 3.063 123.374 120.200 0.185 0.000 2.222 1010 E HA 0.446 4.795 4.350 -0.001 0.000 0.267 1010 E C -0.868 175.894 176.600 0.271 0.000 0.884 1010 E CA -0.572 55.951 56.400 0.204 0.000 0.764 1010 E CB 1.853 31.621 29.700 0.114 0.000 1.169 1010 E HN 0.646 nan 8.360 nan 0.000 0.413 1011 R N 1.604 122.251 120.500 0.244 0.000 2.390 1011 R HA 0.327 4.666 4.340 -0.001 0.000 0.291 1011 R C -0.467 175.859 176.300 0.043 0.000 1.070 1011 R CA 0.100 56.269 56.100 0.115 0.000 1.014 1011 R CB 0.648 30.996 30.300 0.080 0.000 1.007 1011 R HN 0.694 nan 8.270 nan 0.000 0.466 1012 T N -0.276 114.277 114.554 -0.001 0.000 2.864 1012 T HA 0.371 4.720 4.350 -0.001 0.000 0.289 1012 T C 0.063 174.746 174.700 -0.027 0.000 1.082 1012 T CA -0.788 61.332 62.100 0.033 0.000 1.009 1012 T CB 1.373 70.330 68.868 0.149 0.000 1.234 1012 T HN 0.612 nan 8.240 nan 0.000 0.526 1013 T N 0.220 114.762 114.554 -0.020 0.000 2.795 1013 T HA 0.254 4.604 4.350 -0.001 0.000 0.314 1013 T C 1.616 176.241 174.700 -0.125 0.000 1.069 1013 T CA -0.763 61.303 62.100 -0.057 0.000 1.071 1013 T CB -0.024 68.825 68.868 -0.031 0.000 0.988 1013 T HN 0.565 nan 8.240 nan 0.000 0.543 1014 L N 0.930 122.061 121.223 -0.154 0.000 2.362 1014 L HA -0.028 4.312 4.340 -0.001 0.000 0.219 1014 L C 2.779 179.359 176.870 -0.483 0.000 1.134 1014 L CA 1.316 55.996 54.840 -0.268 0.000 0.807 1014 L CB -1.053 40.929 42.059 -0.128 0.000 0.927 1014 L HN 0.972 nan 8.230 nan 0.000 0.447 1015 T N -5.070 109.301 114.554 -0.305 0.000 3.129 1015 T HA 0.028 4.378 4.350 -0.001 0.000 0.251 1015 T C 0.718 175.315 174.700 -0.172 0.000 1.117 1015 T CA -0.263 61.689 62.100 -0.247 0.000 1.034 1015 T CB -0.115 68.732 68.868 -0.036 0.000 0.968 1015 T HN 0.184 nan 8.240 nan 0.000 0.526 1016 F N -0.623 119.335 119.950 0.013 0.000 2.914 1016 F HA -0.183 4.343 4.527 -0.001 0.000 0.304 1016 F C 0.971 176.765 175.800 -0.009 0.000 0.712 1016 F CA -0.156 57.843 58.000 -0.001 0.000 1.211 1016 F CB -2.408 36.589 39.000 -0.006 0.000 1.515 1016 F HN 0.245 nan 8.300 nan 0.000 0.350 1017 L N -0.969 120.323 121.223 0.114 0.000 2.529 1017 L HA 0.110 4.449 4.340 -0.001 0.000 0.223 1017 L C 1.045 177.930 176.870 0.026 0.000 1.113 1017 L CA 0.839 55.715 54.840 0.060 0.000 0.861 1017 L CB 0.179 42.257 42.059 0.032 0.000 1.012 1017 L HN 0.355 nan 8.230 nan 0.000 0.461 1018 Q N 0.315 120.130 119.800 0.025 0.000 2.331 1018 Q HA 0.299 4.638 4.340 -0.001 0.000 0.272 1018 Q C -1.191 174.819 176.000 0.016 0.000 1.062 1018 Q CA -0.708 55.097 55.803 0.004 0.000 0.806 1018 Q CB 1.922 30.650 28.738 -0.016 0.000 1.312 1018 Q HN 0.065 nan 8.270 nan 0.000 0.431 1019 N N 4.273 122.977 118.700 0.008 0.000 2.472 1019 N HA 0.235 4.975 4.740 -0.001 0.000 0.277 1019 N C 0.137 175.653 175.510 0.010 0.000 1.081 1019 N CA 0.112 53.172 53.050 0.015 0.000 0.973 1019 N CB 1.221 39.706 38.487 -0.004 0.000 1.105 1019 N HN 0.654 nan 8.380 nan 0.000 0.470 1020 L N 0.322 121.558 121.223 0.021 0.000 2.537 1020 L HA 0.313 4.652 4.340 -0.001 0.000 0.224 1020 L C 0.561 177.455 176.870 0.039 0.000 1.065 1020 L CA 0.385 55.234 54.840 0.016 0.000 0.860 1020 L CB 0.388 42.447 42.059 0.001 0.000 1.086 1020 L HN 0.511 nan 8.230 nan 0.000 0.482 1021 E N -0.276 119.965 120.200 0.070 0.000 2.343 1021 E HA 0.125 4.475 4.350 -0.001 0.000 0.286 1021 E C -1.317 175.385 176.600 0.169 0.000 0.915 1021 E CA -0.505 55.958 56.400 0.104 0.000 0.784 1021 E CB 1.467 31.227 29.700 0.101 0.000 1.251 1021 E HN 0.126 nan 8.360 nan 0.000 0.407 1022 H N 5.471 124.566 119.070 0.041 0.000 2.742 1022 H HA 0.294 4.849 4.556 -0.001 0.000 0.302 1022 H C -0.495 174.858 175.328 0.042 0.000 1.069 1022 H CA -0.506 55.563 56.048 0.036 0.000 1.446 1022 H CB 0.642 30.416 29.762 0.020 0.000 1.462 1022 H HN 0.344 nan 8.280 nan 0.000 0.499 1023 L N 5.449 126.749 121.223 0.129 0.000 2.276 1023 L HA 0.106 4.445 4.340 -0.001 0.000 0.286 1023 L C 0.214 177.029 176.870 -0.091 0.000 1.061 1023 L CA -0.729 54.126 54.840 0.025 0.000 0.807 1023 L CB 1.014 43.117 42.059 0.072 0.000 1.177 1023 L HN 0.656 nan 8.230 nan 0.000 0.429 1024 D N 2.740 123.093 120.400 -0.079 0.000 2.425 1024 D HA 0.155 4.794 4.640 -0.001 0.000 0.247 1024 D C 1.132 177.400 176.300 -0.053 0.000 1.147 1024 D CA 1.181 55.126 54.000 -0.093 0.000 0.879 1024 D CB 1.470 42.232 40.800 -0.063 0.000 1.179 1024 D HN 0.845 nan 8.370 nan 0.000 0.456 1025 G N 2.955 111.725 108.800 -0.050 0.000 2.184 1025 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.264 1025 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.264 1025 G C 0.807 175.742 174.900 0.059 0.000 0.975 1025 G CA 0.389 45.488 45.100 -0.003 0.000 0.642 1025 G HN 0.631 nan 8.290 nan 0.000 0.536 1026 M N -2.440 117.169 119.600 0.015 0.000 2.653 1026 M HA -0.183 4.296 4.480 -0.001 0.000 0.203 1026 M C 0.066 176.411 176.300 0.076 0.000 0.502 1026 M CA 0.898 56.208 55.300 0.017 0.000 0.601 1026 M CB -2.083 30.503 32.600 -0.024 0.000 2.228 1026 M HN 0.262 nan 8.290 nan 0.000 0.711 1027 V N 0.791 120.735 119.914 0.050 0.000 2.398 1027 V HA 0.745 4.864 4.120 -0.001 0.000 0.286 1027 V C 0.613 176.636 176.094 -0.119 0.000 1.026 1027 V CA -0.293 62.016 62.300 0.015 0.000 0.868 1027 V CB 1.819 33.636 31.823 -0.009 0.000 0.982 1027 V HN 0.388 nan 8.190 nan 0.000 0.443 1028 A N 7.722 130.380 122.820 -0.269 0.000 2.260 1028 A HA 0.768 5.087 4.320 -0.001 0.000 0.312 1028 A C -2.417 174.880 177.584 -0.478 0.000 1.321 1028 A CA -1.496 50.131 52.037 -0.683 0.000 0.928 1028 A CB 0.190 18.493 19.000 -1.162 0.000 1.158 1028 A HN 0.644 nan 8.150 nan 0.000 0.542 1029 P HA 0.141 nan 4.420 nan 0.000 0.271 1029 P C 0.072 177.349 177.300 -0.038 0.000 1.244 1029 P CA -0.119 62.931 63.100 -0.083 0.000 0.793 1029 P CB 0.581 32.298 31.700 0.028 0.000 0.984 1030 E N -0.733 119.473 120.200 0.010 0.000 2.322 1030 E HA 0.347 4.697 4.350 -0.001 0.000 0.257 1030 E C -0.262 176.392 176.600 0.090 0.000 1.155 1030 E CA -0.963 55.467 56.400 0.050 0.000 0.936 1030 E CB 0.720 30.433 29.700 0.020 0.000 1.130 1030 E HN 0.260 nan 8.360 nan 0.000 0.465 1031 V N -1.972 117.994 119.914 0.088 0.000 3.096 1031 V HA 0.430 4.549 4.120 -0.001 0.000 0.319 1031 V C 0.044 176.142 176.094 0.007 0.000 1.082 1031 V CA -1.033 61.307 62.300 0.067 0.000 1.022 1031 V CB 1.264 33.132 31.823 0.075 0.000 1.103 1031 V HN 0.730 nan 8.190 nan 0.000 0.455 1032 c N 1.914 120.513 118.600 -0.001 0.000 2.500 1032 c HA 0.490 5.059 4.570 -0.001 0.000 0.367 1032 c C -2.148 171.888 174.090 -0.090 0.000 1.283 1032 c CA -0.441 55.868 56.329 -0.033 0.000 2.456 1032 c CB 0.161 42.668 42.510 -0.005 0.000 2.457 1032 c HN 0.805 nan 8.230 nan 0.000 0.632 1033 P HA 0.053 nan 4.420 nan 0.000 0.262 1033 P C 0.302 177.445 177.300 -0.261 0.000 1.182 1033 P CA 1.012 63.977 63.100 -0.225 0.000 0.761 1033 P CB 0.184 31.732 31.700 -0.254 0.000 0.795 1034 M N -1.087 118.310 119.600 -0.338 0.000 2.961 1034 M HA -0.170 4.309 4.480 -0.001 0.000 0.198 1034 M C -0.085 176.208 176.300 -0.012 0.000 0.610 1034 M CA 1.384 56.465 55.300 -0.365 0.000 0.755 1034 M CB -1.929 30.117 32.600 -0.924 0.000 2.707 1034 M HN 0.396 nan 8.290 nan 0.000 0.299 1035 E N 0.641 120.838 120.200 -0.004 0.000 2.250 1035 E HA 0.710 5.060 4.350 -0.001 0.000 0.269 1035 E C 0.050 176.726 176.600 0.126 0.000 1.018 1035 E CA -0.054 56.428 56.400 0.136 0.000 0.873 1035 E CB 1.400 31.144 29.700 0.072 0.000 1.134 1035 E HN 0.149 nan 8.360 nan 0.000 0.403 1036 T N 0.511 115.159 114.554 0.157 0.000 2.881 1036 T HA 0.680 5.029 4.350 -0.001 0.000 0.290 1036 T C -0.803 173.914 174.700 0.028 0.000 1.000 1036 T CA -0.655 61.541 62.100 0.160 0.000 0.978 1036 T CB 1.606 70.579 68.868 0.174 0.000 0.997 1036 T HN 0.514 nan 8.240 nan 0.000 0.443 1037 A N 1.942 124.782 122.820 0.033 0.000 2.479 1037 A HA 1.020 5.339 4.320 -0.001 0.000 0.296 1037 A C -1.005 176.487 177.584 -0.154 0.000 1.121 1037 A CA -0.948 51.015 52.037 -0.124 0.000 0.743 1037 A CB 1.506 20.387 19.000 -0.198 0.000 1.323 1037 A HN 1.123 nan 8.150 nan 0.000 0.415 1038 A N -0.025 122.602 122.820 -0.323 0.000 2.386 1038 A HA 0.822 5.141 4.320 -0.001 0.000 0.311 1038 A C -1.638 175.740 177.584 -0.344 0.000 1.068 1038 A CA -0.352 51.603 52.037 -0.138 0.000 0.743 1038 A CB 0.811 19.776 19.000 -0.058 0.000 1.258 1038 A HN 0.865 nan 8.150 nan 0.000 0.429 1039 Y N -0.085 120.433 120.300 0.364 0.000 2.524 1039 Y HA 0.588 5.138 4.550 -0.001 0.000 0.347 1039 Y C -0.327 175.737 175.900 0.273 0.000 1.005 1039 Y CA -0.919 57.344 58.100 0.272 0.000 1.025 1039 Y CB 2.538 41.115 38.460 0.195 0.000 1.275 1039 Y HN 0.417 nan 8.280 nan 0.000 0.460 1040 V N 2.362 122.464 119.914 0.314 0.000 2.483 1040 V HA 0.495 4.614 4.120 -0.001 0.000 0.297 1040 V C -0.725 175.444 176.094 0.124 0.000 1.027 1040 V CA -0.913 61.465 62.300 0.130 0.000 0.855 1040 V CB 1.735 33.572 31.823 0.022 0.000 0.995 1040 V HN 0.825 nan 8.190 nan 0.000 0.424 1041 S N 3.459 119.237 115.700 0.131 0.000 2.525 1041 S HA 0.761 5.231 4.470 -0.001 0.000 0.290 1041 S C -0.260 174.272 174.600 -0.112 0.000 1.152 1041 S CA -0.605 57.601 58.200 0.009 0.000 1.072 1041 S CB 1.708 64.980 63.200 0.119 0.000 1.027 1041 S HN 0.553 nan 8.310 nan 0.000 0.500 1042 S N 2.257 117.766 115.700 -0.317 0.000 2.482 1042 S HA 0.543 5.013 4.470 -0.001 0.000 0.303 1042 S C -0.983 173.282 174.600 -0.558 0.000 1.091 1042 S CA -0.781 57.267 58.200 -0.255 0.000 1.057 1042 S CB 0.583 63.706 63.200 -0.127 0.000 1.031 1042 S HN 0.785 nan 8.310 nan 0.000 0.485 1043 H N 0.958 120.016 119.070 -0.020 0.000 2.667 1043 H HA 0.482 5.038 4.556 -0.001 0.000 0.353 1043 H C -0.304 175.018 175.328 -0.010 0.000 1.072 1043 H CA -0.589 55.450 56.048 -0.015 0.000 1.214 1043 H CB 1.883 31.637 29.762 -0.013 0.000 1.600 1043 H HN 0.677 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.745 115.700 0.075 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.228 58.200 0.047 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