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 3bup_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD NFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHSS 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 0.022 0.000 1.270 31 c CA 0.000 56.337 56.329 0.013 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.011 0.000 2.134 32 Q N 1.598 121.428 119.800 0.050 0.000 2.326 32 Q HA -0.014 4.325 4.340 -0.001 0.000 0.314 32 Q C 0.042 176.070 176.000 0.046 0.000 1.091 32 Q CA 0.926 56.773 55.803 0.073 0.000 0.974 32 Q CB 0.628 29.450 28.738 0.139 0.000 1.220 32 Q HN 0.670 nan 8.270 nan 0.000 0.398 33 D N 1.790 122.217 120.400 0.045 0.000 2.316 33 D HA 0.073 4.713 4.640 -0.001 0.000 0.245 33 D C 0.497 176.832 176.300 0.058 0.000 1.171 33 D CA -0.223 53.784 54.000 0.012 0.000 0.856 33 D CB 1.223 42.026 40.800 0.006 0.000 1.090 33 D HN 0.377 nan 8.370 nan 0.000 0.476 34 V N 2.170 122.068 119.914 -0.027 0.000 3.649 34 V HA 0.070 4.190 4.120 -0.001 0.000 0.275 34 V C 1.178 177.281 176.094 0.016 0.000 1.281 34 V CA 0.120 62.451 62.300 0.052 0.000 1.143 34 V CB 0.138 31.830 31.823 -0.218 0.000 0.892 34 V HN 0.387 nan 8.190 nan 0.000 0.441 35 V N -0.017 119.832 119.914 -0.107 0.000 2.911 35 V HA 0.085 4.204 4.120 -0.001 0.000 0.237 35 V C 2.310 178.366 176.094 -0.063 0.000 1.156 35 V CA 1.263 63.448 62.300 -0.192 0.000 1.180 35 V CB 0.035 31.701 31.823 -0.262 0.000 0.932 35 V HN 0.472 nan 8.190 nan 0.000 0.483 36 Q N -0.311 119.508 119.800 0.031 0.000 2.384 36 Q HA 0.123 4.463 4.340 -0.001 0.000 0.207 36 Q C -0.457 175.625 176.000 0.136 0.000 0.904 36 Q CA 0.304 56.147 55.803 0.067 0.000 0.933 36 Q CB 0.600 29.352 28.738 0.023 0.000 1.077 36 Q HN 0.506 nan 8.270 nan 0.000 0.522 37 D N 1.338 121.850 120.400 0.186 0.000 2.441 37 D HA 0.175 4.814 4.640 -0.001 0.000 0.231 37 D C -0.700 175.717 176.300 0.194 0.000 1.073 37 D CA -0.240 53.857 54.000 0.161 0.000 0.850 37 D CB 2.164 43.036 40.800 0.120 0.000 1.062 37 D HN -0.169 nan 8.370 nan 0.000 0.524 38 V N 4.641 124.633 119.914 0.130 0.000 2.439 38 V HA 0.128 4.247 4.120 -0.001 0.000 0.271 38 V C -1.877 174.193 176.094 -0.040 0.000 1.040 38 V CA -1.190 61.101 62.300 -0.015 0.000 1.002 38 V CB 0.407 32.230 31.823 -0.001 0.000 1.000 38 V HN 0.304 nan 8.190 nan 0.000 0.477 39 P HA 0.059 nan 4.420 nan 0.000 0.265 39 P C -0.370 176.902 177.300 -0.047 0.000 1.193 39 P CA -0.106 62.964 63.100 -0.049 0.000 0.765 39 P CB 0.319 31.974 31.700 -0.075 0.000 0.823 40 N N 3.055 121.743 118.700 -0.020 0.000 2.437 40 N HA 0.283 5.022 4.740 -0.001 0.000 0.243 40 N C -0.946 174.557 175.510 -0.012 0.000 1.041 40 N CA -0.399 52.642 53.050 -0.014 0.000 0.940 40 N CB -0.040 38.447 38.487 -0.000 0.000 1.133 40 N HN 0.111 nan 8.380 nan 0.000 0.506 41 V N 0.448 120.348 119.914 -0.024 0.000 2.960 41 V HA 0.530 4.650 4.120 -0.001 0.000 0.315 41 V C 0.642 176.725 176.094 -0.019 0.000 1.087 41 V CA -0.739 61.551 62.300 -0.017 0.000 0.982 41 V CB 2.005 33.807 31.823 -0.034 0.000 1.039 41 V HN 0.380 nan 8.190 nan 0.000 0.437 42 D N 0.941 121.337 120.400 -0.006 0.000 2.149 42 D HA 0.025 4.665 4.640 -0.001 0.000 0.201 42 D C 0.481 176.755 176.300 -0.044 0.000 0.972 42 D CA 1.530 55.523 54.000 -0.011 0.000 0.835 42 D CB 0.475 41.285 40.800 0.018 0.000 0.966 42 D HN 0.428 nan 8.370 nan 0.000 0.476 43 V N 1.522 121.389 119.914 -0.078 0.000 2.482 43 V HA 0.218 4.337 4.120 -0.001 0.000 0.295 43 V C -0.374 175.630 176.094 -0.151 0.000 1.026 43 V CA -0.775 61.448 62.300 -0.128 0.000 0.856 43 V CB 2.383 34.086 31.823 -0.201 0.000 1.001 43 V HN -0.095 nan 8.190 nan 0.000 0.424 44 Q N 4.483 124.205 119.800 -0.130 0.000 2.341 44 Q HA 0.463 4.803 4.340 -0.001 0.000 0.268 44 Q C 0.381 176.287 176.000 -0.157 0.000 1.013 44 Q CA -0.698 55.019 55.803 -0.142 0.000 0.798 44 Q CB 1.926 30.600 28.738 -0.106 0.000 1.253 44 Q HN 0.668 nan 8.270 nan 0.000 0.457 45 M N 3.036 122.497 119.600 -0.232 0.000 2.159 45 M HA -0.151 4.329 4.480 -0.001 0.000 0.263 45 M C 1.626 177.818 176.300 -0.179 0.000 1.063 45 M CA 0.959 56.101 55.300 -0.263 0.000 1.110 45 M CB -0.829 31.481 32.600 -0.484 0.000 1.374 45 M HN 0.591 nan 8.290 nan 0.000 0.411 46 L N 0.809 121.923 121.223 -0.182 0.000 2.046 46 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 46 L C 2.511 179.376 176.870 -0.008 0.000 1.077 46 L CA 1.898 56.669 54.840 -0.115 0.000 0.747 46 L CB -0.713 41.256 42.059 -0.151 0.000 0.896 46 L HN 0.288 nan 8.230 nan 0.000 0.432 47 E N -0.425 119.756 120.200 -0.032 0.000 2.051 47 E HA -0.248 4.101 4.350 -0.001 0.000 0.192 47 E C 2.222 178.836 176.600 0.024 0.000 0.991 47 E CA 1.658 58.052 56.400 -0.009 0.000 0.799 47 E CB -0.365 29.315 29.700 -0.033 0.000 0.748 47 E HN 0.435 nan 8.360 nan 0.000 0.449 48 L N 0.455 121.691 121.223 0.023 0.000 2.012 48 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 48 L C 2.346 179.296 176.870 0.132 0.000 1.073 48 L CA 1.723 56.588 54.840 0.041 0.000 0.748 48 L CB -1.062 41.006 42.059 0.015 0.000 0.891 48 L HN 0.139 nan 8.230 nan 0.000 0.431 49 Y N 0.065 120.371 120.300 0.009 0.000 2.193 49 Y HA -0.295 4.255 4.550 -0.001 0.000 0.285 49 Y C 2.571 178.569 175.900 0.163 0.000 1.166 49 Y CA 1.920 60.111 58.100 0.152 0.000 1.181 49 Y CB -0.672 37.873 38.460 0.142 0.000 0.976 49 Y HN 0.396 nan 8.280 nan 0.000 0.520 50 D N -0.711 119.804 120.400 0.192 0.000 2.183 50 D HA -0.101 4.539 4.640 -0.001 0.000 0.203 50 D C 1.903 178.244 176.300 0.069 0.000 0.969 50 D CA 1.120 55.185 54.000 0.108 0.000 0.842 50 D CB 0.078 40.917 40.800 0.064 0.000 0.957 50 D HN 0.312 nan 8.370 nan 0.000 0.484 51 R N -0.946 119.580 120.500 0.042 0.000 2.173 51 R HA 0.213 4.552 4.340 -0.001 0.000 0.208 51 R C 0.848 177.131 176.300 -0.027 0.000 1.035 51 R CA 0.029 56.130 56.100 0.002 0.000 1.004 51 R CB 0.020 30.308 30.300 -0.020 0.000 0.917 51 R HN 0.202 nan 8.270 nan 0.000 0.462 52 M N 0.684 120.243 119.600 -0.068 0.000 2.243 52 M HA 0.019 4.498 4.480 -0.001 0.000 0.341 52 M C 0.914 177.161 176.300 -0.088 0.000 1.130 52 M CA 0.341 55.505 55.300 -0.226 0.000 1.162 52 M CB 1.479 33.696 32.600 -0.639 0.000 1.497 52 M HN -0.034 nan 8.290 nan 0.000 0.456 53 S N 1.166 116.794 115.700 -0.120 0.000 2.486 53 S HA 0.132 4.601 4.470 -0.001 0.000 0.220 53 S C 0.260 174.968 174.600 0.179 0.000 1.011 53 S CA 0.011 58.237 58.200 0.042 0.000 0.921 53 S CB -0.049 63.150 63.200 -0.001 0.000 0.785 53 S HN 0.734 nan 8.310 nan 0.000 0.517 54 F N 0.829 120.707 119.950 -0.120 0.000 3.034 54 F HA -0.190 4.337 4.527 -0.001 0.000 0.286 54 F C 0.164 175.977 175.800 0.020 0.000 0.804 54 F CA 0.234 58.169 58.000 -0.109 0.000 1.161 54 F CB -1.517 37.391 39.000 -0.153 0.000 1.317 54 F HN -0.005 nan 8.300 nan 0.000 0.453 55 K N 1.292 121.773 120.400 0.134 0.000 2.368 55 K HA 0.121 4.440 4.320 -0.001 0.000 0.282 55 K C 0.268 176.977 176.600 0.181 0.000 1.035 55 K CA -0.071 56.299 56.287 0.138 0.000 0.973 55 K CB 0.525 33.068 32.500 0.071 0.000 0.957 55 K HN 0.061 nan 8.250 nan 0.000 0.474 56 D N 3.821 124.344 120.400 0.204 0.000 2.563 56 D HA 0.123 4.763 4.640 -0.001 0.000 0.222 56 D C -0.140 176.205 176.300 0.074 0.000 1.145 56 D CA -0.477 53.644 54.000 0.201 0.000 1.001 56 D CB -0.628 40.294 40.800 0.202 0.000 1.049 56 D HN 0.462 nan 8.370 nan 0.000 0.515 57 I N -1.441 119.161 120.570 0.053 0.000 2.488 57 I HA 0.420 4.590 4.170 -0.001 0.000 0.299 57 I C 0.265 176.372 176.117 -0.016 0.000 0.984 57 I CA -0.948 60.361 61.300 0.015 0.000 1.250 57 I CB 1.265 39.273 38.000 0.014 0.000 1.389 57 I HN -0.125 nan 8.210 nan 0.000 0.488 58 D N 4.541 124.930 120.400 -0.019 0.000 2.363 58 D HA 0.099 4.739 4.640 -0.001 0.000 0.263 58 D C 1.030 177.317 176.300 -0.022 0.000 1.258 58 D CA 0.250 54.234 54.000 -0.028 0.000 0.907 58 D CB 1.462 42.253 40.800 -0.015 0.000 1.107 58 D HN 0.858 nan 8.370 nan 0.000 0.495 59 G N 2.456 111.226 108.800 -0.050 0.000 2.985 59 G HA2 0.408 4.368 3.960 -0.001 0.000 0.209 59 G HA3 0.408 4.368 3.960 -0.001 0.000 0.209 59 G C 0.897 175.799 174.900 0.003 0.000 1.165 59 G CA 0.423 45.496 45.100 -0.045 0.000 0.776 59 G HN 0.905 nan 8.290 nan 0.000 0.541 60 G N -0.565 108.242 108.800 0.012 0.000 2.464 60 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.216 60 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.216 60 G C 1.217 176.141 174.900 0.041 0.000 1.186 60 G CA 0.727 45.846 45.100 0.032 0.000 1.010 60 G HN 1.128 nan 8.290 nan 0.000 0.585 61 V N -3.470 116.468 119.914 0.040 0.000 2.392 61 V HA 0.053 4.172 4.120 -0.001 0.000 0.249 61 V C 1.439 177.572 176.094 0.065 0.000 1.059 61 V CA 2.482 64.791 62.300 0.014 0.000 1.051 61 V CB -0.567 31.230 31.823 -0.045 0.000 0.658 61 V HN 1.497 nan 8.190 nan 0.000 0.455 62 W N 2.494 123.718 121.300 -0.127 0.000 2.318 62 W HA 0.460 5.119 4.660 -0.001 0.000 0.362 62 W C 1.126 177.623 176.519 -0.037 0.000 0.978 62 W CA -1.886 55.386 57.345 -0.121 0.000 1.509 62 W CB 0.297 29.658 29.460 -0.166 0.000 1.437 62 W HN 0.006 nan 8.180 nan 0.000 0.361 63 K N 2.604 123.094 120.400 0.149 0.000 2.152 63 K HA -0.183 4.136 4.320 -0.001 0.000 0.206 63 K C 0.887 177.411 176.600 -0.127 0.000 1.048 63 K CA 1.517 57.801 56.287 -0.005 0.000 0.933 63 K CB 0.109 32.604 32.500 -0.008 0.000 0.721 63 K HN 0.591 nan 8.250 nan 0.000 0.447 64 Q N -1.010 118.670 119.800 -0.200 0.000 2.179 64 Q HA 0.170 4.509 4.340 -0.001 0.000 0.213 64 Q C 0.871 176.520 176.000 -0.586 0.000 0.833 64 Q CA -0.239 55.425 55.803 -0.233 0.000 0.990 64 Q CB 1.330 30.061 28.738 -0.012 0.000 1.132 64 Q HN 0.220 nan 8.270 nan 0.000 0.493 65 G N 0.691 108.701 108.800 -1.315 0.000 3.387 65 G HA2 0.506 4.465 3.960 -0.001 0.000 0.194 65 G HA3 0.506 4.465 3.960 -0.001 0.000 0.194 65 G C -1.333 173.276 174.900 -0.485 0.000 1.417 65 G CA -0.262 43.830 45.100 -1.680 0.000 0.777 65 G HN 0.348 nan 8.290 nan 0.000 0.721 66 W N -1.420 119.593 121.300 -0.477 0.000 3.005 66 W HA 0.611 5.271 4.660 -0.001 0.000 0.343 66 W C -1.389 175.210 176.519 0.133 0.000 1.243 66 W CA -1.195 56.092 57.345 -0.097 0.000 1.186 66 W CB 0.623 30.043 29.460 -0.066 0.000 1.453 66 W HN 0.170 nan 8.180 nan 0.000 0.575 67 N N 2.268 121.110 118.700 0.237 0.000 2.400 67 N HA 0.171 4.910 4.740 -0.001 0.000 0.267 67 N C -0.199 175.439 175.510 0.213 0.000 1.208 67 N CA 0.162 53.310 53.050 0.164 0.000 0.951 67 N CB 0.238 38.821 38.487 0.160 0.000 1.227 67 N HN 0.410 nan 8.380 nan 0.000 0.488 68 I N 2.101 122.698 120.570 0.046 0.000 2.556 68 I HA 0.001 4.170 4.170 -0.001 0.000 0.284 68 I C 0.822 177.092 176.117 0.255 0.000 1.114 68 I CA 0.320 61.714 61.300 0.157 0.000 1.418 68 I CB 0.448 38.488 38.000 0.066 0.000 1.394 68 I HN 0.117 nan 8.210 nan 0.000 0.552 69 K N 6.094 126.682 120.400 0.314 0.000 2.259 69 K HA 0.581 4.901 4.320 -0.001 0.000 0.249 69 K C -1.278 175.486 176.600 0.273 0.000 0.942 69 K CA -0.670 55.736 56.287 0.199 0.000 0.816 69 K CB 2.166 34.748 32.500 0.136 0.000 1.155 69 K HN 0.481 nan 8.250 nan 0.000 0.428 70 Y N -1.868 118.518 120.300 0.144 0.000 2.581 70 Y HA 0.427 4.977 4.550 -0.001 0.000 0.345 70 Y C -0.979 174.989 175.900 0.113 0.000 1.036 70 Y CA -1.576 56.609 58.100 0.141 0.000 1.042 70 Y CB 1.180 39.742 38.460 0.170 0.000 1.289 70 Y HN 0.406 nan 8.280 nan 0.000 0.471 71 D N 4.214 124.759 120.400 0.242 0.000 2.339 71 D HA 0.263 4.902 4.640 -0.001 0.000 0.241 71 D C -1.612 174.846 176.300 0.264 0.000 1.183 71 D CA -2.689 51.401 54.000 0.150 0.000 0.859 71 D CB 1.365 42.224 40.800 0.098 0.000 1.067 71 D HN 0.427 nan 8.370 nan 0.000 0.484 72 P HA -0.126 nan 4.420 nan 0.000 0.223 72 P C 1.243 178.684 177.300 0.235 0.000 1.144 72 P CA 0.760 64.050 63.100 0.316 0.000 0.783 72 P CB 0.296 32.119 31.700 0.206 0.000 0.771 73 L N -0.841 120.471 121.223 0.149 0.000 2.591 73 L HA 0.110 4.449 4.340 -0.001 0.000 0.228 73 L C 2.611 179.523 176.870 0.070 0.000 1.133 73 L CA 0.312 55.216 54.840 0.107 0.000 0.880 73 L CB -0.596 41.505 42.059 0.069 0.000 1.033 73 L HN -0.042 nan 8.230 nan 0.000 0.450 74 K N 0.628 121.049 120.400 0.034 0.000 2.057 74 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 74 K C -0.003 176.471 176.600 -0.209 0.000 1.049 74 K CA 1.169 57.365 56.287 -0.152 0.000 0.931 74 K CB 0.074 32.406 32.500 -0.279 0.000 0.714 74 K HN 0.116 nan 8.250 nan 0.000 0.440 75 Y N 0.773 121.198 120.300 0.209 0.000 2.361 75 Y HA 0.205 4.754 4.550 -0.000 0.000 0.332 75 Y C 0.085 176.076 175.900 0.153 0.000 1.101 75 Y CA -0.974 57.245 58.100 0.199 0.000 1.137 75 Y CB 1.399 39.922 38.460 0.104 0.000 1.207 75 Y HN 0.283 nan 8.280 nan 0.000 0.463 76 N N -0.375 118.502 118.700 0.294 0.000 3.344 76 N HA 0.512 5.251 4.740 -0.001 0.000 0.296 76 N C -0.048 175.518 175.510 0.093 0.000 1.571 76 N CA -0.446 52.708 53.050 0.173 0.000 0.844 76 N CB 0.410 38.997 38.487 0.166 0.000 1.718 76 N HN 0.461 nan 8.380 nan 0.000 0.589 77 A N -1.321 121.476 122.820 -0.038 0.000 2.019 77 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 77 A C 0.887 178.291 177.584 -0.300 0.000 1.164 77 A CA 1.199 53.100 52.037 -0.226 0.000 0.644 77 A CB -1.011 17.759 19.000 -0.384 0.000 0.805 77 A HN 0.691 nan 8.150 nan 0.000 0.449 78 H N -2.912 116.218 119.070 0.100 0.000 2.551 78 H HA 0.153 4.708 4.556 -0.001 0.000 0.271 78 H C -0.386 175.052 175.328 0.183 0.000 0.984 78 H CA 0.642 56.753 56.048 0.105 0.000 1.164 78 H CB 0.162 29.972 29.762 0.081 0.000 1.437 78 H HN 0.718 nan 8.280 nan 0.000 0.550 79 H N 0.505 119.658 119.070 0.139 0.000 2.734 79 H HA 0.264 4.820 4.556 -0.000 0.000 0.247 79 H C -0.788 174.677 175.328 0.229 0.000 1.415 79 H CA -0.438 55.709 56.048 0.165 0.000 1.514 79 H CB 0.178 30.034 29.762 0.157 0.000 1.841 79 H HN -0.038 nan 8.280 nan 0.000 0.609 80 K N 1.726 122.098 120.400 -0.048 0.000 2.098 80 K HA 0.307 4.627 4.320 -0.001 0.000 0.257 80 K C -0.593 175.815 176.600 -0.320 0.000 0.999 80 K CA -1.211 55.015 56.287 -0.101 0.000 0.924 80 K CB 1.542 33.970 32.500 -0.120 0.000 1.028 80 K HN 0.205 nan 8.250 nan 0.000 0.466 81 L N 2.407 123.287 121.223 -0.571 0.000 2.325 81 L HA 0.133 4.472 4.340 -0.001 0.000 0.284 81 L C -0.863 175.723 176.870 -0.475 0.000 1.089 81 L CA 0.312 54.697 54.840 -0.759 0.000 0.836 81 L CB 0.020 41.451 42.059 -1.048 0.000 1.184 81 L HN 0.368 nan 8.230 nan 0.000 0.444 82 K N 4.259 124.412 120.400 -0.412 0.000 2.248 82 K HA 0.498 4.818 4.320 -0.001 0.000 0.281 82 K C -1.055 175.193 176.600 -0.587 0.000 1.054 82 K CA -0.480 55.521 56.287 -0.477 0.000 0.903 82 K CB 1.405 33.669 32.500 -0.394 0.000 1.077 82 K HN 0.389 nan 8.250 nan 0.000 0.474 83 V N 4.881 124.327 119.914 -0.781 0.000 2.384 83 V HA 0.362 4.481 4.120 -0.001 0.000 0.287 83 V C -0.844 174.686 176.094 -0.942 0.000 1.020 83 V CA -0.779 61.010 62.300 -0.851 0.000 0.850 83 V CB 0.650 31.770 31.823 -1.173 0.000 0.987 83 V HN 0.568 nan 8.190 nan 0.000 0.436 84 F N 3.646 123.337 119.950 -0.431 0.000 2.361 84 F HA 0.471 4.998 4.527 -0.001 0.000 0.364 84 F C 0.214 175.832 175.800 -0.302 0.000 1.117 84 F CA -0.769 57.037 58.000 -0.323 0.000 1.071 84 F CB 1.725 40.610 39.000 -0.192 0.000 1.188 84 F HN 0.200 nan 8.300 nan 0.000 0.464 85 V N 5.212 125.093 119.914 -0.056 0.000 2.389 85 V HA 0.213 4.333 4.120 -0.001 0.000 0.264 85 V C -0.124 176.085 176.094 0.190 0.000 1.049 85 V CA -0.551 61.795 62.300 0.076 0.000 0.932 85 V CB 0.982 32.929 31.823 0.206 0.000 1.011 85 V HN 0.429 nan 8.190 nan 0.000 0.475 86 V N 8.290 128.258 119.914 0.091 0.000 2.293 86 V HA 0.312 4.432 4.120 -0.001 0.000 0.275 86 V C -2.342 173.791 176.094 0.064 0.000 1.021 86 V CA -1.983 60.334 62.300 0.029 0.000 0.815 86 V CB 1.378 33.131 31.823 -0.117 0.000 1.025 86 V HN 0.707 nan 8.190 nan 0.000 0.448 87 P HA 0.309 nan 4.420 nan 0.000 0.268 87 P C -0.804 176.484 177.300 -0.021 0.000 1.205 87 P CA 0.315 63.383 63.100 -0.054 0.000 0.771 87 P CB 0.320 31.805 31.700 -0.359 0.000 0.858 88 H N -1.270 117.782 119.070 -0.029 0.000 2.981 88 H HA 0.782 5.337 4.556 -0.001 0.000 0.327 88 H C -1.504 173.933 175.328 0.181 0.000 1.342 88 H CA -1.118 54.815 56.048 -0.192 0.000 1.123 88 H CB 0.883 30.454 29.762 -0.317 0.000 1.851 88 H HN 0.199 nan 8.280 nan 0.000 0.531 89 S N 0.578 116.314 115.700 0.060 0.000 2.776 89 S HA 0.209 4.679 4.470 -0.001 0.000 0.284 89 S C -1.845 172.701 174.600 -0.091 0.000 1.160 89 S CA -0.656 57.625 58.200 0.135 0.000 1.051 89 S CB 0.181 63.646 63.200 0.441 0.000 1.037 89 S HN 0.827 nan 8.310 nan 0.000 0.485 90 H N 4.513 123.494 119.070 -0.149 0.000 2.864 90 H HA 0.429 4.985 4.556 -0.001 0.000 0.281 90 H C -0.126 174.805 175.328 -0.662 0.000 1.093 90 H CA 0.236 56.099 56.048 -0.308 0.000 1.453 90 H CB 0.204 29.820 29.762 -0.243 0.000 1.462 90 H HN 0.546 nan 8.280 nan 0.000 0.480 91 N N 5.349 123.404 118.700 -1.076 0.000 2.476 91 N HA 0.072 4.811 4.740 -0.001 0.000 0.257 91 N C -1.193 173.879 175.510 -0.730 0.000 0.970 91 N CA -0.647 51.689 53.050 -1.189 0.000 0.938 91 N CB 1.228 39.312 38.487 -0.672 0.000 1.144 91 N HN 0.646 nan 8.380 nan 0.000 0.500 92 D N 2.844 122.883 120.400 -0.602 0.000 2.325 92 D HA 0.140 4.779 4.640 -0.001 0.000 0.251 92 D C -2.072 174.319 176.300 0.153 0.000 1.196 92 D CA -1.131 52.772 54.000 -0.162 0.000 0.866 92 D CB 1.490 42.439 40.800 0.249 0.000 1.101 92 D HN 0.184 nan 8.370 nan 0.000 0.476 93 P HA 0.165 nan 4.420 nan 0.000 0.235 93 P C 0.058 177.553 177.300 0.324 0.000 1.720 93 P CA 0.119 63.221 63.100 0.003 0.000 1.003 93 P CB 0.052 31.610 31.700 -0.237 0.000 1.968 94 G N 0.140 109.307 108.800 0.611 0.000 3.067 94 G HA2 0.011 3.971 3.960 -0.001 0.000 0.686 94 G HA3 0.011 3.971 3.960 -0.001 0.000 0.686 94 G C -1.057 174.369 174.900 0.875 0.000 1.119 94 G CA -0.661 44.818 45.100 0.631 0.000 0.790 94 G HN 0.338 nan 8.290 nan 0.000 0.605 95 W N 2.552 124.196 121.300 0.573 0.000 4.518 95 W HA 0.286 4.946 4.660 -0.001 0.000 0.160 95 W C 1.033 177.734 176.519 0.303 0.000 3.470 95 W CA 1.042 58.692 57.345 0.509 0.000 1.183 95 W CB -0.793 29.058 29.460 0.652 0.000 2.083 95 W HN 0.496 nan 8.180 nan 0.000 0.403 96 I N 1.880 122.508 120.570 0.098 0.000 2.480 96 I HA 0.095 4.264 4.170 -0.001 0.000 0.251 96 I C 0.672 176.691 176.117 -0.162 0.000 1.124 96 I CA 1.209 62.391 61.300 -0.198 0.000 1.444 96 I CB -1.272 36.571 38.000 -0.262 0.000 1.098 96 I HN 0.075 nan 8.210 nan 0.000 0.428 97 Q N 0.054 119.576 119.800 -0.464 0.000 2.359 97 Q HA 0.368 4.707 4.340 -0.001 0.000 0.275 97 Q C 0.183 175.943 176.000 -0.401 0.000 1.082 97 Q CA -0.618 54.874 55.803 -0.518 0.000 0.849 97 Q CB 1.909 30.067 28.738 -0.967 0.000 1.377 97 Q HN 0.274 nan 8.270 nan 0.000 0.452 98 T N -2.217 112.208 114.554 -0.214 0.000 2.766 98 T HA 0.095 4.444 4.350 -0.001 0.000 0.295 98 T C 0.818 175.600 174.700 0.136 0.000 1.024 98 T CA -0.450 61.596 62.100 -0.091 0.000 1.018 98 T CB 0.285 69.124 68.868 -0.048 0.000 1.002 98 T HN 0.569 nan 8.240 nan 0.000 0.532 99 F N 1.219 121.225 119.950 0.093 0.000 2.043 99 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 99 F C 2.513 178.482 175.800 0.281 0.000 1.118 99 F CA 2.454 60.580 58.000 0.210 0.000 1.202 99 F CB -0.372 38.655 39.000 0.045 0.000 0.965 99 F HN 0.782 nan 8.300 nan 0.000 0.482 100 E N 0.395 120.813 120.200 0.362 0.000 2.106 100 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 100 E C 2.004 178.643 176.600 0.066 0.000 0.984 100 E CA 1.783 58.330 56.400 0.246 0.000 0.806 100 E CB -0.280 29.558 29.700 0.230 0.000 0.750 100 E HN 0.625 nan 8.360 nan 0.000 0.458 101 E N -1.046 119.135 120.200 -0.031 0.000 2.031 101 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 101 E C 1.893 178.289 176.600 -0.339 0.000 0.994 101 E CA 1.254 57.476 56.400 -0.297 0.000 0.800 101 E CB -0.277 29.334 29.700 -0.149 0.000 0.752 101 E HN 0.330 nan 8.360 nan 0.000 0.447 102 Y N -0.413 119.839 120.300 -0.080 0.000 2.181 102 Y HA -0.265 4.285 4.550 -0.001 0.000 0.288 102 Y C 2.233 178.055 175.900 -0.129 0.000 1.146 102 Y CA 1.269 59.307 58.100 -0.103 0.000 1.164 102 Y CB -0.844 37.638 38.460 0.037 0.000 0.982 102 Y HN 0.198 nan 8.280 nan 0.000 0.515 103 Y N 0.947 121.243 120.300 -0.007 0.000 2.128 103 Y HA -0.309 4.240 4.550 -0.001 0.000 0.284 103 Y C 2.316 178.157 175.900 -0.098 0.000 1.154 103 Y CA 2.040 60.083 58.100 -0.094 0.000 1.149 103 Y CB -0.408 37.999 38.460 -0.088 0.000 0.976 103 Y HN 0.078 nan 8.280 nan 0.000 0.505 104 Q N -0.649 119.017 119.800 -0.222 0.000 2.079 104 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 104 Q C 2.110 178.047 176.000 -0.106 0.000 0.974 104 Q CA 2.187 57.829 55.803 -0.267 0.000 0.840 104 Q CB -0.597 28.039 28.738 -0.169 0.000 0.898 104 Q HN 0.782 nan 8.270 nan 0.000 0.430 105 H N -0.841 118.231 119.070 0.004 0.000 2.525 105 H HA 0.057 4.613 4.556 -0.001 0.000 0.275 105 H C 0.874 176.301 175.328 0.164 0.000 0.984 105 H CA 0.471 56.572 56.048 0.088 0.000 1.264 105 H CB 0.698 30.479 29.762 0.032 0.000 1.432 105 H HN 0.186 nan 8.280 nan 0.000 0.549 106 D N -1.293 119.208 120.400 0.168 0.000 2.971 106 D HA 0.009 4.649 4.640 -0.001 0.000 0.221 106 D C 1.721 178.071 176.300 0.083 0.000 1.406 106 D CA 0.463 54.552 54.000 0.148 0.000 1.328 106 D CB 0.048 40.828 40.800 -0.033 0.000 1.369 106 D HN 0.024 nan 8.370 nan 0.000 0.364 107 T N 2.497 117.016 114.554 -0.059 0.000 2.821 107 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 107 T C 1.917 176.477 174.700 -0.235 0.000 1.046 107 T CA 1.484 63.524 62.100 -0.100 0.000 1.139 107 T CB -0.035 68.601 68.868 -0.387 0.000 0.871 107 T HN 0.235 nan 8.240 nan 0.000 0.454 108 K N 0.806 120.876 120.400 -0.549 0.000 2.147 108 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 108 K C 1.939 178.336 176.600 -0.338 0.000 1.049 108 K CA 1.462 57.423 56.287 -0.544 0.000 0.936 108 K CB -0.403 31.530 32.500 -0.946 0.000 0.722 108 K HN 0.403 nan 8.250 nan 0.000 0.446 109 H N 1.095 120.116 119.070 -0.083 0.000 2.363 109 H HA 0.041 4.597 4.556 -0.001 0.000 0.301 109 H C 2.341 177.693 175.328 0.040 0.000 1.074 109 H CA 1.419 57.472 56.048 0.008 0.000 1.354 109 H CB -0.247 29.539 29.762 0.040 0.000 1.397 109 H HN 0.186 nan 8.280 nan 0.000 0.516 110 I N 0.809 121.480 120.570 0.168 0.000 2.151 110 I HA -0.289 3.881 4.170 -0.001 0.000 0.243 110 I C 2.448 178.600 176.117 0.058 0.000 1.080 110 I CA 1.259 62.697 61.300 0.231 0.000 1.339 110 I CB -0.290 37.917 38.000 0.345 0.000 1.039 110 I HN 0.094 nan 8.210 nan 0.000 0.409 111 L N -0.630 120.418 121.223 -0.293 0.000 2.109 111 L HA -0.151 4.188 4.340 -0.001 0.000 0.207 111 L C 2.708 179.220 176.870 -0.597 0.000 1.086 111 L CA 0.958 55.367 54.840 -0.719 0.000 0.760 111 L CB -0.479 40.619 42.059 -1.603 0.000 0.910 111 L HN 0.212 nan 8.230 nan 0.000 0.437 112 S N 0.142 115.651 115.700 -0.319 0.000 2.368 112 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 112 S C 1.851 176.444 174.600 -0.011 0.000 1.030 112 S CA 1.473 59.720 58.200 0.080 0.000 0.999 112 S CB -0.170 63.150 63.200 0.200 0.000 0.844 112 S HN 0.435 nan 8.310 nan 0.000 0.459 113 N N 1.336 120.028 118.700 -0.014 0.000 2.244 113 N HA 0.033 4.773 4.740 -0.001 0.000 0.183 113 N C 1.880 177.083 175.510 -0.510 0.000 1.016 113 N CA 1.125 54.115 53.050 -0.100 0.000 0.866 113 N CB -0.622 37.930 38.487 0.109 0.000 0.980 113 N HN 0.498 nan 8.380 nan 0.000 0.430 114 A N 1.387 123.967 122.820 -0.400 0.000 1.877 114 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 114 A C 2.222 179.551 177.584 -0.425 0.000 1.186 114 A CA 0.969 52.628 52.037 -0.629 0.000 0.620 114 A CB -0.773 18.109 19.000 -0.197 0.000 0.822 114 A HN 0.215 nan 8.150 nan 0.000 0.443 115 L N 0.176 121.284 121.223 -0.192 0.000 1.989 115 L HA -0.190 4.149 4.340 -0.001 0.000 0.211 115 L C 2.510 179.315 176.870 -0.108 0.000 1.071 115 L CA 2.677 57.479 54.840 -0.063 0.000 0.749 115 L CB -0.803 41.294 42.059 0.062 0.000 0.890 115 L HN 0.530 nan 8.230 nan 0.000 0.431 116 R N -1.774 118.630 120.500 -0.161 0.000 2.083 116 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 116 R C 2.410 178.547 176.300 -0.273 0.000 1.137 116 R CA 1.804 57.791 56.100 -0.187 0.000 0.951 116 R CB -0.498 29.687 30.300 -0.192 0.000 0.851 116 R HN 0.577 nan 8.270 nan 0.000 0.434 117 H N 0.315 119.093 119.070 -0.486 0.000 2.363 117 H HA -0.057 4.499 4.556 -0.001 0.000 0.301 117 H C 2.254 177.361 175.328 -0.368 0.000 1.074 117 H CA 1.726 57.456 56.048 -0.530 0.000 1.354 117 H CB 0.046 29.192 29.762 -1.028 0.000 1.397 117 H HN 0.245 nan 8.280 nan 0.000 0.516 118 L N -0.086 120.964 121.223 -0.289 0.000 2.093 118 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 118 L C 2.723 179.558 176.870 -0.057 0.000 1.085 118 L CA 1.029 55.788 54.840 -0.135 0.000 0.755 118 L CB -0.725 41.276 42.059 -0.098 0.000 0.904 118 L HN 0.396 nan 8.230 nan 0.000 0.435 119 H N 0.863 119.861 119.070 -0.120 0.000 2.319 119 H HA -0.217 4.338 4.556 -0.001 0.000 0.297 119 H C 1.403 176.684 175.328 -0.079 0.000 1.097 119 H CA 2.279 58.280 56.048 -0.078 0.000 1.285 119 H CB 0.199 29.915 29.762 -0.077 0.000 1.368 119 H HN 0.328 nan 8.280 nan 0.000 0.495 120 D N 0.109 120.450 120.400 -0.098 0.000 2.277 120 D HA -0.030 4.609 4.640 -0.001 0.000 0.208 120 D C 0.030 176.265 176.300 -0.107 0.000 0.962 120 D CA 0.633 54.559 54.000 -0.124 0.000 0.865 120 D CB -0.132 40.599 40.800 -0.116 0.000 0.939 120 D HN 0.403 nan 8.370 nan 0.000 0.510 121 N N 0.599 119.253 118.700 -0.077 0.000 2.746 121 N HA 0.168 4.907 4.740 -0.001 0.000 0.250 121 N C -2.160 173.348 175.510 -0.003 0.000 1.146 121 N CA -1.107 51.937 53.050 -0.011 0.000 0.828 121 N CB 2.345 40.859 38.487 0.045 0.000 1.158 121 N HN -0.163 nan 8.380 nan 0.000 0.519 122 P HA -0.209 nan 4.420 nan 0.000 0.221 122 P C 1.036 178.364 177.300 0.047 0.000 1.145 122 P CA 1.226 64.325 63.100 -0.002 0.000 0.795 122 P CB 0.364 32.058 31.700 -0.011 0.000 0.775 123 E N -0.967 119.289 120.200 0.093 0.000 2.385 123 E HA -0.023 4.326 4.350 -0.001 0.000 0.194 123 E C 0.802 177.531 176.600 0.215 0.000 1.013 123 E CA 0.107 56.605 56.400 0.164 0.000 0.866 123 E CB -0.621 29.205 29.700 0.210 0.000 0.832 123 E HN 0.151 nan 8.360 nan 0.000 0.500 124 M N 2.004 121.677 119.600 0.120 0.000 2.243 124 M HA 0.198 4.677 4.480 -0.001 0.000 0.341 124 M C -0.496 175.805 176.300 0.002 0.000 1.130 124 M CA 0.002 55.299 55.300 -0.005 0.000 1.162 124 M CB 0.709 33.294 32.600 -0.027 0.000 1.497 124 M HN -0.261 nan 8.290 nan 0.000 0.456 125 K N 3.184 123.549 120.400 -0.060 0.000 2.443 125 K HA 0.653 4.972 4.320 -0.001 0.000 0.251 125 K C -1.705 174.934 176.600 0.065 0.000 0.972 125 K CA -0.496 55.802 56.287 0.018 0.000 0.833 125 K CB 2.262 34.795 32.500 0.054 0.000 1.317 125 K HN 0.664 nan 8.250 nan 0.000 0.441 126 F N 1.528 121.390 119.950 -0.147 0.000 2.672 126 F HA 0.440 4.967 4.527 -0.001 0.000 0.311 126 F C -1.490 174.194 175.800 -0.193 0.000 1.113 126 F CA -1.303 56.592 58.000 -0.174 0.000 0.996 126 F CB 1.063 40.042 39.000 -0.036 0.000 1.286 126 F HN 0.455 nan 8.300 nan 0.000 0.441 127 I N 1.835 122.028 120.570 -0.627 0.000 2.603 127 I HA 0.581 4.750 4.170 -0.001 0.000 0.300 127 I C -1.762 173.913 176.117 -0.736 0.000 1.017 127 I CA -0.599 60.315 61.300 -0.643 0.000 1.098 127 I CB 2.468 40.044 38.000 -0.705 0.000 1.279 127 I HN 0.692 nan 8.210 nan 0.000 0.437 128 W N 5.033 125.930 121.300 -0.671 0.000 2.739 128 W HA 0.632 5.292 4.660 -0.001 0.000 0.331 128 W C -0.566 175.867 176.519 -0.144 0.000 1.049 128 W CA -0.562 56.525 57.345 -0.431 0.000 1.234 128 W CB 2.657 31.934 29.460 -0.305 0.000 1.404 128 W HN 0.811 nan 8.180 nan 0.000 0.477 129 A N 3.591 126.060 122.820 -0.585 0.000 1.963 129 A HA 0.117 4.436 4.320 -0.001 0.000 0.207 129 A C 0.048 177.570 177.584 -0.104 0.000 1.243 129 A CA 0.627 52.533 52.037 -0.218 0.000 0.728 129 A CB -0.057 18.875 19.000 -0.114 0.000 0.895 129 A HN 0.523 nan 8.150 nan 0.000 0.467 130 E N 0.944 120.966 120.200 -0.298 0.000 2.001 130 E HA 0.315 4.664 4.350 -0.001 0.000 0.279 130 E C 0.426 177.171 176.600 0.241 0.000 1.045 130 E CA -0.299 56.093 56.400 -0.014 0.000 0.833 130 E CB 0.766 30.453 29.700 -0.021 0.000 1.077 130 E HN 0.266 nan 8.360 nan 0.000 0.397 131 I N 1.497 122.121 120.570 0.089 0.000 2.676 131 I HA -0.202 3.967 4.170 -0.001 0.000 0.259 131 I C 1.941 177.745 176.117 -0.521 0.000 1.194 131 I CA 0.936 62.231 61.300 -0.008 0.000 1.473 131 I CB -1.418 36.633 38.000 0.084 0.000 1.096 131 I HN 0.415 nan 8.210 nan 0.000 0.443 132 S N 0.806 115.894 115.700 -1.021 0.000 2.365 132 S HA -0.267 4.203 4.470 -0.001 0.000 0.225 132 S C 2.212 176.496 174.600 -0.527 0.000 1.039 132 S CA 1.304 58.470 58.200 -1.724 0.000 1.033 132 S CB -1.208 61.026 63.200 -1.611 0.000 0.887 132 S HN 0.470 nan 8.310 nan 0.000 0.447 133 Y N 0.198 120.507 120.300 0.016 0.000 2.200 133 Y HA -0.012 4.537 4.550 -0.001 0.000 0.290 133 Y C 2.333 178.309 175.900 0.127 0.000 1.137 133 Y CA 1.181 59.388 58.100 0.179 0.000 1.163 133 Y CB -0.406 38.270 38.460 0.361 0.000 0.988 133 Y HN 0.296 nan 8.280 nan 0.000 0.518 134 F N 0.155 120.207 119.950 0.170 0.000 2.134 134 F HA -0.219 4.307 4.527 -0.001 0.000 0.299 134 F C 2.346 178.025 175.800 -0.202 0.000 1.097 134 F CA 1.181 59.168 58.000 -0.021 0.000 1.264 134 F CB -0.514 38.470 39.000 -0.028 0.000 1.001 134 F HN -0.018 nan 8.300 nan 0.000 0.479 135 A N 0.293 122.791 122.820 -0.536 0.000 1.877 135 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 135 A C 2.172 179.627 177.584 -0.216 0.000 1.186 135 A CA 1.905 53.418 52.037 -0.874 0.000 0.620 135 A CB -0.821 17.494 19.000 -1.143 0.000 0.822 135 A HN 0.404 nan 8.150 nan 0.000 0.443 136 R N -1.071 119.336 120.500 -0.155 0.000 2.091 136 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 136 R C 1.791 178.051 176.300 -0.068 0.000 1.136 136 R CA 2.129 58.154 56.100 -0.124 0.000 0.959 136 R CB -0.863 29.299 30.300 -0.229 0.000 0.856 136 R HN 0.489 nan 8.270 nan 0.000 0.437 137 F N -0.266 119.612 119.950 -0.120 0.000 2.060 137 F HA -0.157 4.369 4.527 -0.001 0.000 0.295 137 F C 2.009 177.758 175.800 -0.085 0.000 1.120 137 F CA 1.832 59.825 58.000 -0.013 0.000 1.205 137 F CB -0.911 38.023 39.000 -0.111 0.000 0.986 137 F HN 0.125 nan 8.300 nan 0.000 0.470 138 Y N 0.046 120.194 120.300 -0.254 0.000 2.165 138 Y HA -0.318 4.232 4.550 -0.001 0.000 0.286 138 Y C 2.762 178.588 175.900 -0.122 0.000 1.155 138 Y CA 2.367 60.344 58.100 -0.205 0.000 1.164 138 Y CB -0.953 37.556 38.460 0.082 0.000 0.978 138 Y HN 0.340 nan 8.280 nan 0.000 0.513 139 H N -0.303 118.777 119.070 0.017 0.000 2.387 139 H HA -0.145 4.411 4.556 -0.001 0.000 0.299 139 H C 1.516 176.744 175.328 -0.168 0.000 1.099 139 H CA 2.276 58.297 56.048 -0.045 0.000 1.315 139 H CB -0.283 29.493 29.762 0.023 0.000 1.380 139 H HN 0.328 nan 8.280 nan 0.000 0.513 140 D N -0.147 120.106 120.400 -0.245 0.000 2.323 140 D HA 0.018 4.658 4.640 -0.001 0.000 0.209 140 D C 0.386 176.450 176.300 -0.393 0.000 0.973 140 D CA 0.120 53.945 54.000 -0.293 0.000 0.874 140 D CB -0.052 40.655 40.800 -0.156 0.000 0.930 140 D HN 0.334 nan 8.370 nan 0.000 0.521 141 L N 0.981 121.881 121.223 -0.538 0.000 2.485 141 L HA 0.150 4.489 4.340 -0.001 0.000 0.275 141 L C 1.430 178.071 176.870 -0.382 0.000 1.207 141 L CA -0.265 54.265 54.840 -0.516 0.000 0.855 141 L CB 0.431 42.123 42.059 -0.613 0.000 1.114 141 L HN 0.002 nan 8.230 nan 0.000 0.485 142 G N 1.327 109.961 108.800 -0.276 0.000 2.636 142 G HA2 0.013 3.972 3.960 -0.001 0.000 0.246 142 G HA3 0.013 3.972 3.960 -0.001 0.000 0.246 142 G C 0.682 175.464 174.900 -0.197 0.000 1.216 142 G CA -0.311 44.667 45.100 -0.203 0.000 0.854 142 G HN 0.804 nan 8.290 nan 0.000 0.572 143 E N -0.024 120.091 120.200 -0.143 0.000 2.110 143 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 143 E C 2.165 178.717 176.600 -0.080 0.000 0.988 143 E CA 1.435 57.770 56.400 -0.108 0.000 0.804 143 E CB -0.166 29.496 29.700 -0.064 0.000 0.745 143 E HN 0.591 nan 8.360 nan 0.000 0.458 144 N N 0.177 118.831 118.700 -0.076 0.000 2.084 144 N HA -0.185 4.554 4.740 -0.001 0.000 0.190 144 N C 1.431 176.903 175.510 -0.063 0.000 1.030 144 N CA 1.300 54.316 53.050 -0.057 0.000 0.849 144 N CB 0.023 38.474 38.487 -0.061 0.000 1.012 144 N HN 0.030 nan 8.380 nan 0.000 0.423 145 K N 1.288 121.630 120.400 -0.096 0.000 2.097 145 K HA -0.055 4.264 4.320 -0.001 0.000 0.205 145 K C 2.019 178.586 176.600 -0.054 0.000 1.050 145 K CA 0.721 56.954 56.287 -0.090 0.000 0.938 145 K CB -0.224 32.198 32.500 -0.130 0.000 0.718 145 K HN 0.333 nan 8.250 nan 0.000 0.442 146 K N 0.813 121.135 120.400 -0.130 0.000 2.063 146 K HA -0.079 4.240 4.320 -0.001 0.000 0.208 146 K C 2.270 178.957 176.600 0.144 0.000 1.048 146 K CA 1.086 57.315 56.287 -0.096 0.000 0.928 146 K CB -0.195 32.140 32.500 -0.275 0.000 0.713 146 K HN 0.063 nan 8.250 nan 0.000 0.442 147 L N 0.898 122.169 121.223 0.080 0.000 2.056 147 L HA -0.207 4.132 4.340 -0.001 0.000 0.207 147 L C 2.564 179.507 176.870 0.122 0.000 1.078 147 L CA 1.252 56.156 54.840 0.107 0.000 0.749 147 L CB -0.403 41.693 42.059 0.062 0.000 0.901 147 L HN 0.266 nan 8.230 nan 0.000 0.433 148 Q N -0.818 119.035 119.800 0.089 0.000 2.084 148 Q HA -0.271 4.068 4.340 -0.001 0.000 0.202 148 Q C 2.208 178.311 176.000 0.171 0.000 0.978 148 Q CA 1.740 57.608 55.803 0.108 0.000 0.844 148 Q CB -0.173 28.569 28.738 0.005 0.000 0.898 148 Q HN 0.341 nan 8.270 nan 0.000 0.426 149 M N 1.175 120.907 119.600 0.220 0.000 2.067 149 M HA -0.179 4.301 4.480 -0.001 0.000 0.260 149 M C 1.629 178.135 176.300 0.343 0.000 1.069 149 M CA 1.810 57.314 55.300 0.339 0.000 1.117 149 M CB -0.038 32.871 32.600 0.515 0.000 1.334 149 M HN -0.086 nan 8.290 nan 0.000 0.407 150 K N -1.043 119.559 120.400 0.336 0.000 2.103 150 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 150 K C 2.286 178.998 176.600 0.186 0.000 1.048 150 K CA 1.644 58.091 56.287 0.267 0.000 0.930 150 K CB -0.506 32.136 32.500 0.237 0.000 0.716 150 K HN 0.430 nan 8.250 nan 0.000 0.444 151 S N 1.485 117.283 115.700 0.164 0.000 2.383 151 S HA -0.099 4.371 4.470 -0.001 0.000 0.227 151 S C 1.945 176.609 174.600 0.107 0.000 1.026 151 S CA 1.151 59.424 58.200 0.122 0.000 0.981 151 S CB -0.237 63.034 63.200 0.118 0.000 0.818 151 S HN 0.402 nan 8.310 nan 0.000 0.472 152 I N -1.198 119.448 120.570 0.126 0.000 2.876 152 I HA 0.100 4.270 4.170 -0.001 0.000 0.264 152 I C 1.854 178.013 176.117 0.070 0.000 1.204 152 I CA 0.531 61.885 61.300 0.090 0.000 1.485 152 I CB -0.292 37.763 38.000 0.091 0.000 1.103 152 I HN 0.084 nan 8.210 nan 0.000 0.446 153 V N 1.626 121.604 119.914 0.107 0.000 2.302 153 V HA -0.201 3.918 4.120 -0.001 0.000 0.243 153 V C 2.716 178.854 176.094 0.073 0.000 1.036 153 V CA 2.052 64.403 62.300 0.086 0.000 1.020 153 V CB -0.705 31.242 31.823 0.206 0.000 0.657 153 V HN 0.419 nan 8.190 nan 0.000 0.453 154 K N 0.460 120.912 120.400 0.088 0.000 2.074 154 K HA -0.193 4.126 4.320 -0.001 0.000 0.209 154 K C 1.619 178.243 176.600 0.040 0.000 1.048 154 K CA 1.823 58.147 56.287 0.063 0.000 0.926 154 K CB -0.139 32.400 32.500 0.065 0.000 0.713 154 K HN 0.480 nan 8.250 nan 0.000 0.444 155 N N -0.853 117.870 118.700 0.038 0.000 2.336 155 N HA 0.023 4.763 4.740 -0.001 0.000 0.189 155 N C 0.688 176.207 175.510 0.014 0.000 1.113 155 N CA 0.985 54.050 53.050 0.025 0.000 0.858 155 N CB 1.290 39.792 38.487 0.026 0.000 0.970 155 N HN 0.465 nan 8.380 nan 0.000 0.471 156 G N 1.053 109.856 108.800 0.006 0.000 2.179 156 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 156 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 156 G C 0.858 175.746 174.900 -0.019 0.000 0.990 156 G CA 0.043 45.135 45.100 -0.013 0.000 0.646 156 G HN 0.320 nan 8.290 nan 0.000 0.517 157 Q N -1.142 118.655 119.800 -0.005 0.000 2.049 157 Q HA 0.189 4.528 4.340 -0.001 0.000 0.198 157 Q C 1.188 177.181 176.000 -0.011 0.000 0.971 157 Q CA 1.203 57.008 55.803 0.004 0.000 0.833 157 Q CB 0.136 28.883 28.738 0.015 0.000 0.896 157 Q HN 0.595 nan 8.270 nan 0.000 0.434 158 L N 1.162 122.359 121.223 -0.044 0.000 2.272 158 L HA 0.295 4.634 4.340 -0.001 0.000 0.289 158 L C -0.952 175.728 176.870 -0.317 0.000 1.032 158 L CA -0.046 54.717 54.840 -0.127 0.000 0.810 158 L CB 1.454 43.456 42.059 -0.096 0.000 1.205 158 L HN -0.051 nan 8.230 nan 0.000 0.422 159 E N 4.528 124.494 120.200 -0.390 0.000 2.234 159 E HA 0.362 4.711 4.350 -0.001 0.000 0.266 159 E C -1.543 174.764 176.600 -0.490 0.000 0.877 159 E CA -0.699 55.473 56.400 -0.380 0.000 0.758 159 E CB 0.997 30.572 29.700 -0.209 0.000 1.170 159 E HN 0.539 nan 8.360 nan 0.000 0.415 160 F N 3.530 123.432 119.950 -0.079 0.000 2.438 160 F HA 0.232 4.759 4.527 -0.001 0.000 0.356 160 F C 0.339 176.111 175.800 -0.047 0.000 1.099 160 F CA -0.631 57.334 58.000 -0.059 0.000 1.185 160 F CB 1.231 40.209 39.000 -0.037 0.000 1.115 160 F HN 0.206 nan 8.300 nan 0.000 0.526 161 V N 0.202 120.171 119.914 0.091 0.000 2.513 161 V HA 0.604 4.723 4.120 -0.001 0.000 0.299 161 V C 0.364 176.586 176.094 0.214 0.000 1.035 161 V CA -0.472 61.888 62.300 0.099 0.000 0.889 161 V CB 0.963 32.746 31.823 -0.066 0.000 0.988 161 V HN 1.000 nan 8.190 nan 0.000 0.440 162 T N 3.208 117.962 114.554 0.335 0.000 12.971 162 T HA -0.330 4.019 4.350 -0.001 0.000 0.419 162 T C 1.713 176.635 174.700 0.370 0.000 1.442 162 T CA 3.099 65.431 62.100 0.387 0.000 2.370 162 T CB -1.704 67.287 68.868 0.206 0.000 2.822 162 T HN 2.805 nan 8.240 nan 0.000 0.691 163 G N 2.038 110.995 108.800 0.261 0.000 2.147 163 G HA2 0.099 4.059 3.960 -0.001 0.000 0.244 163 G HA3 0.099 4.059 3.960 -0.001 0.000 0.244 163 G C 0.274 175.309 174.900 0.225 0.000 1.005 163 G CA 0.573 45.806 45.100 0.220 0.000 0.713 163 G HN 1.534 nan 8.290 nan 0.000 0.515 164 G N -1.713 107.215 108.800 0.213 0.000 2.572 164 G HA2 0.370 4.329 3.960 -0.001 0.000 0.261 164 G HA3 0.370 4.329 3.960 -0.001 0.000 0.261 164 G C 0.993 176.055 174.900 0.270 0.000 1.197 164 G CA 0.143 45.378 45.100 0.225 0.000 0.870 164 G HN 0.345 nan 8.290 nan 0.000 0.548 165 W N 0.511 121.846 121.300 0.059 0.000 2.325 165 W HA -0.083 4.577 4.660 -0.001 0.000 0.299 165 W C 0.751 177.291 176.519 0.035 0.000 1.215 165 W CA 1.971 59.335 57.345 0.031 0.000 1.244 165 W CB 0.231 29.690 29.460 -0.000 0.000 1.140 165 W HN 0.408 nan 8.180 nan 0.000 0.523 166 V N -2.770 117.248 119.914 0.175 0.000 3.105 166 V HA 0.499 4.618 4.120 -0.001 0.000 0.311 166 V C -0.400 175.771 176.094 0.129 0.000 1.287 166 V CA -1.269 61.083 62.300 0.087 0.000 1.066 166 V CB 1.707 33.600 31.823 0.117 0.000 1.105 166 V HN -0.048 nan 8.190 nan 0.000 0.462 167 M N 3.954 123.661 119.600 0.179 0.000 2.103 167 M HA 0.504 4.983 4.480 -0.001 0.000 0.350 167 M C -2.681 173.771 176.300 0.253 0.000 1.100 167 M CA -1.910 53.509 55.300 0.198 0.000 1.042 167 M CB 1.345 34.080 32.600 0.225 0.000 1.368 167 M HN 0.638 nan 8.290 nan 0.000 0.404 168 P HA 0.103 nan 4.420 nan 0.000 0.274 168 P C -0.920 176.384 177.300 0.006 0.000 1.237 168 P CA -0.149 62.994 63.100 0.072 0.000 0.793 168 P CB 0.522 32.252 31.700 0.049 0.000 0.977 169 D N 0.591 120.955 120.400 -0.061 0.000 2.472 169 D HA -0.075 4.565 4.640 -0.001 0.000 0.237 169 D C 0.706 177.014 176.300 0.014 0.000 1.141 169 D CA 0.697 54.644 54.000 -0.087 0.000 0.875 169 D CB 0.423 41.178 40.800 -0.076 0.000 1.192 169 D HN 0.305 nan 8.370 nan 0.000 0.450 170 E N 1.524 121.782 120.200 0.096 0.000 2.511 170 E HA 0.181 4.530 4.350 -0.001 0.000 0.209 170 E C 1.025 177.803 176.600 0.296 0.000 0.986 170 E CA 0.045 56.569 56.400 0.206 0.000 0.974 170 E CB 0.635 30.472 29.700 0.228 0.000 1.030 170 E HN 0.485 nan 8.360 nan 0.000 0.490 171 A N 1.641 124.588 122.820 0.212 0.000 1.862 171 A HA -0.018 4.302 4.320 -0.001 0.000 0.211 171 A C 1.845 179.312 177.584 -0.196 0.000 1.220 171 A CA 0.754 52.675 52.037 -0.193 0.000 0.616 171 A CB -0.072 18.780 19.000 -0.246 0.000 0.878 171 A HN 0.051 nan 8.150 nan 0.000 0.453 172 N N 0.709 119.380 118.700 -0.047 0.000 2.405 172 N HA -0.003 4.736 4.740 -0.001 0.000 0.175 172 N C 0.467 175.959 175.510 -0.029 0.000 1.051 172 N CA 0.769 53.788 53.050 -0.051 0.000 0.899 172 N CB -0.049 38.452 38.487 0.022 0.000 1.000 172 N HN 0.503 nan 8.380 nan 0.000 0.451 173 S N 0.954 116.648 115.700 -0.010 0.000 2.549 173 S HA 0.014 4.483 4.470 -0.001 0.000 0.283 173 S C 0.059 174.671 174.600 0.021 0.000 1.320 173 S CA -0.541 57.665 58.200 0.010 0.000 1.058 173 S CB 0.996 64.206 63.200 0.016 0.000 0.882 173 S HN 0.204 nan 8.310 nan 0.000 0.498 174 H N 3.562 122.606 119.070 -0.043 0.000 2.652 174 H HA 0.023 4.579 4.556 -0.001 0.000 0.349 174 H C 1.305 176.603 175.328 -0.050 0.000 1.099 174 H CA -0.136 55.874 56.048 -0.063 0.000 1.417 174 H CB 0.488 30.166 29.762 -0.140 0.000 1.457 174 H HN 1.031 nan 8.280 nan 0.000 0.568 175 W N 5.894 127.154 121.300 -0.066 0.000 2.325 175 W HA -0.200 4.460 4.660 -0.001 0.000 0.299 175 W C 1.138 177.734 176.519 0.129 0.000 1.215 175 W CA 0.515 57.871 57.345 0.018 0.000 1.244 175 W CB -0.495 28.923 29.460 -0.070 0.000 1.140 175 W HN 0.538 nan 8.180 nan 0.000 0.523 176 R N 0.807 120.921 120.500 -0.643 0.000 2.081 176 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 176 R C 2.050 178.179 176.300 -0.286 0.000 1.131 176 R CA 1.985 57.613 56.100 -0.787 0.000 0.960 176 R CB -0.490 29.271 30.300 -0.899 0.000 0.856 176 R HN 0.147 nan 8.270 nan 0.000 0.436 177 N N -0.097 118.517 118.700 -0.144 0.000 2.354 177 N HA -0.069 4.670 4.740 -0.001 0.000 0.179 177 N C 1.738 177.245 175.510 -0.004 0.000 1.021 177 N CA 0.758 53.770 53.050 -0.064 0.000 0.887 177 N CB -0.064 38.405 38.487 -0.031 0.000 0.974 177 N HN 0.007 nan 8.380 nan 0.000 0.437 178 V N 1.348 121.285 119.914 0.038 0.000 2.343 178 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 178 V C 2.319 178.453 176.094 0.067 0.000 1.051 178 V CA 1.084 63.425 62.300 0.068 0.000 1.036 178 V CB -0.483 31.402 31.823 0.103 0.000 0.654 178 V HN 0.195 nan 8.190 nan 0.000 0.451 179 L N -0.342 120.929 121.223 0.080 0.000 2.027 179 L HA -0.099 4.241 4.340 -0.001 0.000 0.206 179 L C 2.195 179.071 176.870 0.010 0.000 1.074 179 L CA 1.785 56.666 54.840 0.068 0.000 0.745 179 L CB -0.734 41.397 42.059 0.120 0.000 0.898 179 L HN 0.268 nan 8.230 nan 0.000 0.433 180 L N -0.026 121.180 121.223 -0.027 0.000 1.990 180 L HA -0.280 4.059 4.340 -0.001 0.000 0.213 180 L C 2.612 179.469 176.870 -0.021 0.000 1.072 180 L CA 2.482 57.296 54.840 -0.044 0.000 0.755 180 L CB -0.817 41.197 42.059 -0.074 0.000 0.889 180 L HN 0.694 nan 8.230 nan 0.000 0.432 181 Q N -1.172 118.637 119.800 0.015 0.000 2.172 181 Q HA -0.192 4.148 4.340 -0.001 0.000 0.200 181 Q C 2.030 178.108 176.000 0.130 0.000 0.964 181 Q CA 1.950 57.798 55.803 0.075 0.000 0.855 181 Q CB -1.160 27.657 28.738 0.131 0.000 0.918 181 Q HN 0.459 nan 8.270 nan 0.000 0.444 182 L N 0.994 122.278 121.223 0.101 0.000 2.012 182 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 182 L C 1.977 178.919 176.870 0.121 0.000 1.073 182 L CA 2.565 57.475 54.840 0.117 0.000 0.748 182 L CB -1.082 41.024 42.059 0.078 0.000 0.891 182 L HN 0.362 nan 8.230 nan 0.000 0.431 183 T N -1.065 113.528 114.554 0.066 0.000 2.746 183 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 183 T C 1.729 176.472 174.700 0.072 0.000 1.039 183 T CA 1.412 63.543 62.100 0.050 0.000 1.142 183 T CB -0.193 68.675 68.868 0.000 0.000 0.866 183 T HN 0.331 nan 8.240 nan 0.000 0.444 184 E N 1.016 121.235 120.200 0.031 0.000 2.051 184 E HA -0.050 4.299 4.350 -0.001 0.000 0.192 184 E C 2.344 179.045 176.600 0.169 0.000 0.991 184 E CA 1.602 57.973 56.400 -0.048 0.000 0.799 184 E CB -0.878 28.625 29.700 -0.328 0.000 0.748 184 E HN 0.448 nan 8.360 nan 0.000 0.449 185 G N -0.129 108.872 108.800 0.335 0.000 2.394 185 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.214 185 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.214 185 G C 1.482 176.591 174.900 0.349 0.000 1.176 185 G CA 0.640 46.024 45.100 0.474 0.000 0.786 185 G HN 0.262 nan 8.290 nan 0.000 0.533 186 Q N -0.086 119.857 119.800 0.239 0.000 2.167 186 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 186 Q C 2.789 178.877 176.000 0.147 0.000 0.970 186 Q CA 1.489 57.395 55.803 0.171 0.000 0.855 186 Q CB -0.267 28.557 28.738 0.143 0.000 0.911 186 Q HN 0.409 nan 8.270 nan 0.000 0.438 187 T N 0.225 114.874 114.554 0.159 0.000 2.708 187 T HA -0.188 4.161 4.350 -0.001 0.000 0.266 187 T C 1.107 175.894 174.700 0.145 0.000 1.037 187 T CA 1.130 63.301 62.100 0.118 0.000 1.146 187 T CB -0.403 68.527 68.868 0.103 0.000 0.865 187 T HN 0.476 nan 8.240 nan 0.000 0.435 188 W N 1.620 122.995 121.300 0.126 0.000 2.335 188 W HA -0.075 4.585 4.660 -0.001 0.000 0.311 188 W C 1.853 178.478 176.519 0.176 0.000 1.213 188 W CA 0.986 58.478 57.345 0.244 0.000 1.274 188 W CB -0.478 29.196 29.460 0.356 0.000 1.148 188 W HN 0.140 nan 8.180 nan 0.000 0.498 189 L N 0.589 122.037 121.223 0.375 0.000 2.012 189 L HA -0.284 4.055 4.340 -0.001 0.000 0.210 189 L C 2.695 179.510 176.870 -0.091 0.000 1.073 189 L CA 1.912 56.806 54.840 0.091 0.000 0.748 189 L CB -1.019 41.032 42.059 -0.013 0.000 0.891 189 L HN -0.017 nan 8.230 nan 0.000 0.431 190 K N -0.211 120.151 120.400 -0.064 0.000 2.032 190 K HA -0.278 4.041 4.320 -0.001 0.000 0.209 190 K C 2.202 178.674 176.600 -0.213 0.000 1.048 190 K CA 1.797 58.019 56.287 -0.107 0.000 0.927 190 K CB -0.093 32.365 32.500 -0.069 0.000 0.712 190 K HN 0.297 nan 8.250 nan 0.000 0.441 191 Q N -0.982 118.615 119.800 -0.338 0.000 2.079 191 Q HA -0.139 4.201 4.340 -0.001 0.000 0.200 191 Q C 1.656 177.221 176.000 -0.725 0.000 0.974 191 Q CA 1.719 57.170 55.803 -0.587 0.000 0.840 191 Q CB 0.097 28.334 28.738 -0.836 0.000 0.898 191 Q HN 0.327 nan 8.270 nan 0.000 0.430 192 F N -1.984 117.632 119.950 -0.558 0.000 2.622 192 F HA 0.107 4.633 4.527 -0.001 0.000 0.288 192 F C 1.810 177.338 175.800 -0.454 0.000 1.120 192 F CA -0.034 57.578 58.000 -0.646 0.000 1.423 192 F CB 0.500 38.705 39.000 -1.325 0.000 1.127 192 F HN 0.051 nan 8.300 nan 0.000 0.588 193 M N -0.709 118.763 119.600 -0.213 0.000 2.308 193 M HA 0.189 4.668 4.480 -0.001 0.000 0.269 193 M C 0.275 176.568 176.300 -0.011 0.000 1.040 193 M CA 0.294 55.563 55.300 -0.052 0.000 1.024 193 M CB -0.661 31.926 32.600 -0.021 0.000 1.465 193 M HN 0.072 nan 8.290 nan 0.000 0.517 194 N N 1.869 120.528 118.700 -0.069 0.000 2.727 194 N HA -0.140 4.599 4.740 -0.001 0.000 0.249 194 N C -1.010 174.491 175.510 -0.015 0.000 1.048 194 N CA 0.735 53.756 53.050 -0.047 0.000 0.714 194 N CB -0.949 37.522 38.487 -0.027 0.000 0.959 194 N HN 0.324 nan 8.380 nan 0.000 0.544 195 V N -3.653 116.252 119.914 -0.015 0.000 2.971 195 V HA 0.841 4.960 4.120 -0.001 0.000 0.309 195 V C -0.010 176.078 176.094 -0.011 0.000 1.130 195 V CA -0.525 61.782 62.300 0.011 0.000 0.964 195 V CB 2.319 34.199 31.823 0.094 0.000 1.029 195 V HN 0.047 nan 8.190 nan 0.000 0.427 196 T N 4.423 118.959 114.554 -0.030 0.000 2.930 196 T HA 0.573 4.922 4.350 -0.001 0.000 0.313 196 T C -2.717 171.906 174.700 -0.129 0.000 1.019 196 T CA -0.798 61.263 62.100 -0.065 0.000 1.004 196 T CB 1.340 70.158 68.868 -0.082 0.000 0.987 196 T HN 0.774 nan 8.240 nan 0.000 0.456 197 P HA 0.147 nan 4.420 nan 0.000 0.266 197 P C 0.838 177.768 177.300 -0.616 0.000 1.195 197 P CA -0.087 62.908 63.100 -0.175 0.000 0.768 197 P CB 0.542 32.259 31.700 0.028 0.000 0.838 198 T N -1.672 112.580 114.554 -0.503 0.000 3.043 198 T HA 0.503 4.852 4.350 -0.001 0.000 0.272 198 T C 0.404 174.944 174.700 -0.267 0.000 0.990 198 T CA -0.246 61.434 62.100 -0.700 0.000 0.897 198 T CB 0.171 68.825 68.868 -0.356 0.000 1.111 198 T HN 0.402 nan 8.240 nan 0.000 0.529 199 A N 1.002 123.813 122.820 -0.015 0.000 2.318 199 A HA 0.792 5.112 4.320 -0.001 0.000 0.324 199 A C -0.050 177.780 177.584 0.411 0.000 1.170 199 A CA -0.657 51.502 52.037 0.202 0.000 0.810 199 A CB 1.598 20.731 19.000 0.222 0.000 1.198 199 A HN 0.273 nan 8.150 nan 0.000 0.484 200 S N 2.193 118.122 115.700 0.382 0.000 2.549 200 S HA 0.676 5.146 4.470 -0.001 0.000 0.297 200 S C -1.125 173.647 174.600 0.286 0.000 1.115 200 S CA -0.435 57.934 58.200 0.281 0.000 1.059 200 S CB 0.756 63.949 63.200 -0.013 0.000 1.046 200 S HN 0.812 nan 8.310 nan 0.000 0.506 201 W N 4.491 125.795 121.300 0.005 0.000 2.543 201 W HA 0.624 5.284 4.660 -0.001 0.000 0.318 201 W C -1.555 174.902 176.519 -0.103 0.000 1.002 201 W CA -0.806 56.498 57.345 -0.067 0.000 1.302 201 W CB 0.996 30.393 29.460 -0.107 0.000 1.299 201 W HN 0.775 nan 8.180 nan 0.000 0.424 202 A N 7.887 130.535 122.820 -0.288 0.000 2.709 202 A HA 0.326 4.646 4.320 -0.001 0.000 0.332 202 A C 0.324 177.649 177.584 -0.431 0.000 1.241 202 A CA -0.499 51.382 52.037 -0.260 0.000 0.782 202 A CB -0.210 18.763 19.000 -0.045 0.000 1.109 202 A HN 0.701 nan 8.150 nan 0.000 0.472 203 I N -2.461 117.695 120.570 -0.689 0.000 3.783 203 I HA 0.306 4.476 4.170 -0.001 0.000 0.310 203 I C 0.723 176.500 176.117 -0.566 0.000 1.274 203 I CA 0.752 61.587 61.300 -0.775 0.000 1.294 203 I CB 0.452 37.732 38.000 -1.199 0.000 1.051 203 I HN 0.354 nan 8.210 nan 0.000 0.435 204 D N 0.315 120.341 120.400 -0.623 0.000 2.480 204 D HA 0.240 4.880 4.640 -0.001 0.000 0.243 204 D C -2.274 173.598 176.300 -0.713 0.000 1.120 204 D CA -0.615 53.023 54.000 -0.604 0.000 0.835 204 D CB 0.219 40.580 40.800 -0.733 0.000 1.204 204 D HN 0.168 nan 8.370 nan 0.000 0.513 205 P HA 0.049 nan 4.420 nan 0.000 0.266 205 P C -0.536 176.319 177.300 -0.742 0.000 1.195 205 P CA 0.055 62.629 63.100 -0.877 0.000 0.768 205 P CB 0.138 31.469 31.700 -0.615 0.000 0.838 206 F N 2.404 122.096 119.950 -0.430 0.000 2.541 206 F HA 0.539 5.065 4.527 -0.001 0.000 0.351 206 F C 1.462 177.174 175.800 -0.147 0.000 1.209 206 F CA -0.662 57.038 58.000 -0.500 0.000 1.277 206 F CB -1.104 37.763 39.000 -0.221 0.000 1.632 206 F HN 0.537 nan 8.300 nan 0.000 0.619 207 G N 1.334 109.866 108.800 -0.447 0.000 2.663 207 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.686 207 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.686 207 G C -1.453 173.071 174.900 -0.628 0.000 1.246 207 G CA -1.146 43.787 45.100 -0.279 0.000 0.795 207 G HN 0.633 nan 8.290 nan 0.000 0.627 208 H N -0.422 118.327 119.070 -0.535 0.000 2.717 208 H HA 0.727 5.282 4.556 -0.001 0.000 0.366 208 H C -0.287 174.928 175.328 -0.188 0.000 1.132 208 H CA 0.032 55.964 56.048 -0.194 0.000 1.180 208 H CB 2.045 31.859 29.762 0.087 0.000 1.678 208 H HN 0.646 nan 8.280 nan 0.000 0.537 209 S N 2.576 118.416 115.700 0.233 0.000 2.509 209 S HA 0.231 4.701 4.470 -0.001 0.000 0.297 209 S C -1.638 172.970 174.600 0.013 0.000 1.118 209 S CA -1.753 56.595 58.200 0.248 0.000 1.074 209 S CB 1.142 64.526 63.200 0.308 0.000 1.038 209 S HN 0.462 nan 8.310 nan 0.000 0.498 210 P HA -0.011 nan 4.420 nan 0.000 0.230 210 P C 1.157 178.194 177.300 -0.438 0.000 1.158 210 P CA 0.803 63.471 63.100 -0.721 0.000 0.769 210 P CB -0.284 31.165 31.700 -0.419 0.000 0.807 211 T N -0.103 114.337 114.554 -0.191 0.000 2.778 211 T HA -0.141 4.208 4.350 -0.001 0.000 0.269 211 T C 1.833 176.497 174.700 -0.059 0.000 1.050 211 T CA 1.345 63.388 62.100 -0.095 0.000 1.137 211 T CB -0.404 68.451 68.868 -0.021 0.000 0.860 211 T HN 0.012 nan 8.240 nan 0.000 0.468 212 M N 0.832 120.346 119.600 -0.143 0.000 2.066 212 M HA 0.002 4.481 4.480 -0.001 0.000 0.259 212 M C -0.561 175.603 176.300 -0.227 0.000 1.074 212 M CA 1.260 56.471 55.300 -0.149 0.000 1.114 212 M CB -2.566 29.969 32.600 -0.108 0.000 1.306 212 M HN 0.129 nan 8.290 nan 0.000 0.411 213 P HA -0.213 nan 4.420 nan 0.000 0.218 213 P C 1.670 178.850 177.300 -0.200 0.000 1.148 213 P CA 1.502 64.421 63.100 -0.302 0.000 0.822 213 P CB -0.454 30.984 31.700 -0.436 0.000 0.784 214 Y N 1.208 121.326 120.300 -0.304 0.000 2.053 214 Y HA -0.227 4.322 4.550 -0.001 0.000 0.277 214 Y C 2.441 178.264 175.900 -0.128 0.000 1.159 214 Y CA 1.771 59.755 58.100 -0.193 0.000 1.125 214 Y CB -1.027 37.334 38.460 -0.164 0.000 0.969 214 Y HN -0.224 nan 8.280 nan 0.000 0.492 215 I N -0.495 120.059 120.570 -0.026 0.000 2.252 215 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 215 I C 2.290 178.326 176.117 -0.135 0.000 1.102 215 I CA 1.180 62.438 61.300 -0.070 0.000 1.385 215 I CB -0.431 37.610 38.000 0.067 0.000 1.064 215 I HN 0.270 nan 8.210 nan 0.000 0.414 216 L N 0.101 121.203 121.223 -0.203 0.000 2.056 216 L HA -0.212 4.128 4.340 -0.001 0.000 0.207 216 L C 2.701 179.568 176.870 -0.004 0.000 1.078 216 L CA 1.179 55.841 54.840 -0.296 0.000 0.749 216 L CB -0.713 40.978 42.059 -0.613 0.000 0.901 216 L HN 0.335 nan 8.230 nan 0.000 0.433 217 Q N 1.135 120.891 119.800 -0.074 0.000 2.224 217 Q HA -0.193 4.146 4.340 -0.001 0.000 0.203 217 Q C 1.682 177.642 176.000 -0.066 0.000 0.970 217 Q CA 1.481 57.259 55.803 -0.042 0.000 0.865 217 Q CB 0.116 28.801 28.738 -0.089 0.000 0.922 217 Q HN 0.452 nan 8.270 nan 0.000 0.445 218 K N -0.407 119.909 120.400 -0.140 0.000 2.458 218 K HA 0.104 4.424 4.320 -0.001 0.000 0.194 218 K C 0.524 177.082 176.600 -0.069 0.000 1.024 218 K CA 0.118 56.314 56.287 -0.152 0.000 1.108 218 K CB 0.494 32.823 32.500 -0.286 0.000 0.846 218 K HN -0.073 nan 8.250 nan 0.000 0.518 219 S N -0.312 115.406 115.700 0.029 0.000 2.843 219 S HA 0.201 4.671 4.470 -0.001 0.000 0.249 219 S C 0.673 175.365 174.600 0.152 0.000 1.047 219 S CA 0.071 58.333 58.200 0.104 0.000 1.042 219 S CB 1.365 64.670 63.200 0.174 0.000 0.936 219 S HN 0.511 nan 8.310 nan 0.000 0.531 220 G N 1.264 110.104 108.800 0.066 0.000 2.179 220 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.260 220 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.260 220 G C -0.013 174.842 174.900 -0.075 0.000 0.977 220 G CA -0.320 44.761 45.100 -0.031 0.000 0.641 220 G HN 0.451 nan 8.290 nan 0.000 0.533 221 F N 0.369 120.276 119.950 -0.072 0.000 2.506 221 F HA 0.526 5.052 4.527 -0.001 0.000 0.351 221 F C 1.647 177.387 175.800 -0.101 0.000 1.136 221 F CA 0.544 58.497 58.000 -0.078 0.000 1.298 221 F CB 0.999 39.956 39.000 -0.073 0.000 1.145 221 F HN -0.047 nan 8.300 nan 0.000 0.593 222 K N 0.445 120.854 120.400 0.016 0.000 2.435 222 K HA 0.220 4.539 4.320 -0.001 0.000 0.199 222 K C -0.381 176.153 176.600 -0.109 0.000 1.153 222 K CA 0.080 56.322 56.287 -0.074 0.000 0.974 222 K CB 0.478 32.890 32.500 -0.146 0.000 0.997 222 K HN 0.484 nan 8.250 nan 0.000 0.547 223 N N 0.852 119.462 118.700 -0.149 0.000 2.331 223 N HA 0.390 5.129 4.740 -0.001 0.000 0.280 223 N C -1.298 174.041 175.510 -0.286 0.000 1.155 223 N CA -0.487 52.296 53.050 -0.446 0.000 0.822 223 N CB 2.330 40.003 38.487 -1.357 0.000 1.619 223 N HN -0.042 nan 8.380 nan 0.000 0.476 224 M N -0.289 119.153 119.600 -0.264 0.000 2.569 224 M HA 0.627 5.106 4.480 -0.001 0.000 0.279 224 M C -2.000 174.338 176.300 0.064 0.000 1.253 224 M CA -0.947 54.326 55.300 -0.045 0.000 0.867 224 M CB 2.910 35.479 32.600 -0.052 0.000 1.727 224 M HN 0.468 nan 8.290 nan 0.000 0.467 225 L N 3.676 124.948 121.223 0.083 0.000 2.408 225 L HA 0.872 5.211 4.340 -0.001 0.000 0.268 225 L C -1.532 175.186 176.870 -0.254 0.000 0.986 225 L CA -0.737 54.106 54.840 0.005 0.000 0.820 225 L CB 2.041 44.142 42.059 0.070 0.000 1.303 225 L HN 0.947 nan 8.230 nan 0.000 0.411 226 I N 0.943 121.281 120.570 -0.386 0.000 2.934 226 I HA 0.609 4.779 4.170 -0.001 0.000 0.306 226 I C -0.643 175.184 176.117 -0.484 0.000 1.110 226 I CA -0.576 60.324 61.300 -0.666 0.000 1.019 226 I CB 2.226 39.530 38.000 -1.161 0.000 1.227 226 I HN 0.736 nan 8.210 nan 0.000 0.434 227 Q N 2.548 122.142 119.800 -0.344 0.000 2.599 227 Q HA 0.339 4.678 4.340 -0.001 0.000 0.229 227 Q C 0.159 176.058 176.000 -0.167 0.000 0.800 227 Q CA 0.508 56.172 55.803 -0.232 0.000 0.937 227 Q CB 0.516 29.115 28.738 -0.232 0.000 1.285 227 Q HN 0.654 nan 8.270 nan 0.000 0.600 228 R N 2.044 122.440 120.500 -0.175 0.000 2.612 228 R HA 0.303 4.643 4.340 -0.001 0.000 0.273 228 R C -0.662 175.374 176.300 -0.440 0.000 1.376 228 R CA 0.604 56.364 56.100 -0.566 0.000 1.171 228 R CB 0.032 29.633 30.300 -1.165 0.000 1.151 228 R HN 0.420 nan 8.270 nan 0.000 0.560 229 T N -2.473 112.063 114.554 -0.030 0.000 2.916 229 T HA 0.136 4.485 4.350 -0.001 0.000 0.292 229 T C -0.054 174.899 174.700 0.422 0.000 1.055 229 T CA -0.905 61.308 62.100 0.188 0.000 1.009 229 T CB 1.700 70.519 68.868 -0.082 0.000 1.118 229 T HN 0.417 nan 8.240 nan 0.000 0.497 230 H N 1.887 121.161 119.070 0.339 0.000 3.094 230 H HA -0.028 4.527 4.556 -0.001 0.000 0.320 230 H C 1.085 176.449 175.328 0.059 0.000 1.000 230 H CA 0.477 56.613 56.048 0.146 0.000 1.413 230 H CB 0.319 30.206 29.762 0.207 0.000 1.405 230 H HN 0.914 nan 8.280 nan 0.000 0.586 231 Y N 2.465 122.874 120.300 0.182 0.000 2.256 231 Y HA -0.197 4.352 4.550 -0.001 0.000 0.288 231 Y C 2.178 178.229 175.900 0.252 0.000 1.155 231 Y CA 1.030 59.257 58.100 0.212 0.000 1.203 231 Y CB -0.719 37.811 38.460 0.117 0.000 0.980 231 Y HN 0.312 nan 8.280 nan 0.000 0.530 232 S N 0.412 116.093 115.700 -0.031 0.000 2.383 232 S HA -0.139 4.330 4.470 -0.001 0.000 0.227 232 S C 2.088 176.598 174.600 -0.151 0.000 1.026 232 S CA 1.307 59.409 58.200 -0.163 0.000 0.981 232 S CB -0.620 62.241 63.200 -0.566 0.000 0.818 232 S HN 0.384 nan 8.310 nan 0.000 0.472 233 V N 1.813 121.704 119.914 -0.039 0.000 2.307 233 V HA -0.157 3.962 4.120 -0.001 0.000 0.245 233 V C 2.260 178.383 176.094 0.049 0.000 1.045 233 V CA 1.556 63.868 62.300 0.020 0.000 1.024 233 V CB -0.531 31.411 31.823 0.198 0.000 0.651 233 V HN 0.390 nan 8.190 nan 0.000 0.449 234 K N 0.208 120.673 120.400 0.108 0.000 2.020 234 K HA -0.277 4.042 4.320 -0.001 0.000 0.212 234 K C 2.293 179.016 176.600 0.204 0.000 1.050 234 K CA 2.054 58.422 56.287 0.134 0.000 0.929 234 K CB -0.290 32.344 32.500 0.223 0.000 0.714 234 K HN 0.339 nan 8.250 nan 0.000 0.443 235 K N 1.015 121.543 120.400 0.213 0.000 2.032 235 K HA -0.253 4.066 4.320 -0.001 0.000 0.209 235 K C 2.156 178.849 176.600 0.156 0.000 1.048 235 K CA 1.877 58.301 56.287 0.228 0.000 0.927 235 K CB 0.004 32.563 32.500 0.099 0.000 0.712 235 K HN -0.000 nan 8.250 nan 0.000 0.441 236 E N 0.940 121.150 120.200 0.016 0.000 2.031 236 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 236 E C 1.992 178.579 176.600 -0.021 0.000 0.994 236 E CA 1.481 57.848 56.400 -0.055 0.000 0.800 236 E CB -0.259 29.362 29.700 -0.131 0.000 0.752 236 E HN 0.353 nan 8.360 nan 0.000 0.447 237 L N -0.071 121.150 121.223 -0.004 0.000 2.093 237 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 237 L C 2.552 179.435 176.870 0.022 0.000 1.085 237 L CA 0.982 55.814 54.840 -0.012 0.000 0.755 237 L CB -0.708 41.327 42.059 -0.039 0.000 0.904 237 L HN 0.213 nan 8.230 nan 0.000 0.435 238 A N -0.129 122.750 122.820 0.098 0.000 1.908 238 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 238 A C 2.222 179.977 177.584 0.285 0.000 1.181 238 A CA 1.709 53.864 52.037 0.196 0.000 0.627 238 A CB -0.539 18.727 19.000 0.444 0.000 0.818 238 A HN 0.480 nan 8.150 nan 0.000 0.445 239 Q N -1.101 118.814 119.800 0.192 0.000 2.226 239 Q HA -0.145 4.195 4.340 -0.001 0.000 0.204 239 Q C 1.304 177.279 176.000 -0.041 0.000 0.975 239 Q CA 1.226 56.981 55.803 -0.079 0.000 0.866 239 Q CB -0.010 28.541 28.738 -0.312 0.000 0.915 239 Q HN 0.625 nan 8.270 nan 0.000 0.440 240 Q N -0.274 119.522 119.800 -0.006 0.000 2.247 240 Q HA 0.148 4.487 4.340 -0.001 0.000 0.204 240 Q C -0.436 175.583 176.000 0.031 0.000 0.872 240 Q CA -0.035 55.766 55.803 -0.003 0.000 0.951 240 Q CB 0.687 29.414 28.738 -0.018 0.000 1.099 240 Q HN 0.269 nan 8.270 nan 0.000 0.501 241 R N 0.905 121.430 120.500 0.043 0.000 3.251 241 R HA -0.212 4.128 4.340 -0.001 0.000 0.249 241 R C -0.126 176.214 176.300 0.068 0.000 0.949 241 R CA 0.461 56.583 56.100 0.037 0.000 0.645 241 R CB -1.971 28.378 30.300 0.081 0.000 1.065 241 R HN 0.379 nan 8.270 nan 0.000 0.452 242 Q N 0.079 119.904 119.800 0.042 0.000 2.186 242 Q HA 0.201 4.540 4.340 -0.001 0.000 0.241 242 Q C 1.237 177.316 176.000 0.132 0.000 0.849 242 Q CA -0.241 55.619 55.803 0.095 0.000 1.053 242 Q CB 0.538 29.295 28.738 0.033 0.000 1.146 242 Q HN 0.451 nan 8.270 nan 0.000 0.475 243 L N 0.088 121.327 121.223 0.026 0.000 2.395 243 L HA 0.020 4.360 4.340 -0.001 0.000 0.218 243 L C 0.351 177.215 176.870 -0.009 0.000 1.130 243 L CA 0.997 55.819 54.840 -0.029 0.000 0.826 243 L CB 0.275 42.126 42.059 -0.347 0.000 0.941 243 L HN 0.195 nan 8.230 nan 0.000 0.451 244 E N 0.177 120.417 120.200 0.067 0.000 2.158 244 E HA 0.504 4.853 4.350 -0.001 0.000 0.271 244 E C -1.215 175.308 176.600 -0.128 0.000 0.911 244 E CA -0.525 55.725 56.400 -0.251 0.000 0.767 244 E CB 1.491 31.162 29.700 -0.049 0.000 1.120 244 E HN 0.005 nan 8.360 nan 0.000 0.405 245 F N -0.238 119.457 119.950 -0.425 0.000 2.668 245 F HA 0.464 4.990 4.527 -0.001 0.000 0.309 245 F C -1.501 174.190 175.800 -0.182 0.000 1.117 245 F CA -1.385 56.508 58.000 -0.179 0.000 0.951 245 F CB 0.797 39.724 39.000 -0.122 0.000 1.323 245 F HN 0.162 nan 8.300 nan 0.000 0.451 246 L N 2.732 124.106 121.223 0.252 0.000 2.282 246 L HA 0.152 4.492 4.340 -0.001 0.000 0.287 246 L C -1.053 176.043 176.870 0.377 0.000 1.075 246 L CA -0.210 54.778 54.840 0.246 0.000 0.839 246 L CB 0.381 42.590 42.059 0.250 0.000 1.219 246 L HN 0.584 nan 8.230 nan 0.000 0.434 247 W N 6.786 128.188 121.300 0.171 0.000 2.387 247 W HA 0.316 4.975 4.660 -0.001 0.000 0.310 247 W C 0.273 176.821 176.519 0.048 0.000 1.181 247 W CA -1.205 56.265 57.345 0.209 0.000 1.333 247 W CB 0.462 30.083 29.460 0.268 0.000 1.286 247 W HN 0.506 nan 8.180 nan 0.000 0.455 248 R N 3.836 124.509 120.500 0.289 0.000 2.828 248 R HA 0.535 4.874 4.340 -0.001 0.000 0.264 248 R C -0.165 176.042 176.300 -0.155 0.000 1.022 248 R CA -0.896 55.202 56.100 -0.003 0.000 1.021 248 R CB 1.181 31.466 30.300 -0.025 0.000 1.163 248 R HN 0.244 nan 8.270 nan 0.000 0.494 249 Q N 1.582 121.132 119.800 -0.415 0.000 2.392 249 Q HA 0.059 4.399 4.340 -0.001 0.000 0.262 249 Q C 1.475 177.088 176.000 -0.645 0.000 1.003 249 Q CA 0.098 55.456 55.803 -0.742 0.000 0.888 249 Q CB 0.885 28.687 28.738 -1.560 0.000 1.260 249 Q HN 0.852 nan 8.270 nan 0.000 0.435 250 I N -1.854 118.456 120.570 -0.433 0.000 2.423 250 I HA -0.178 3.992 4.170 -0.001 0.000 0.254 250 I C 1.323 177.398 176.117 -0.070 0.000 1.151 250 I CA 1.415 62.618 61.300 -0.163 0.000 1.421 250 I CB -0.364 37.629 38.000 -0.013 0.000 1.079 250 I HN 0.690 nan 8.210 nan 0.000 0.431 251 W N 1.337 122.698 121.300 0.101 0.000 3.278 251 W HA 0.360 5.019 4.660 -0.001 0.000 0.308 251 W C 0.276 176.874 176.519 0.131 0.000 1.253 251 W CA -0.637 56.832 57.345 0.206 0.000 1.759 251 W CB -0.680 28.977 29.460 0.330 0.000 1.093 251 W HN -0.059 nan 8.180 nan 0.000 0.648 252 D N 1.806 121.963 120.400 -0.405 0.000 2.402 252 D HA 0.000 4.640 4.640 -0.001 0.000 0.235 252 D C 0.756 177.029 176.300 -0.045 0.000 1.226 252 D CA 0.232 54.099 54.000 -0.221 0.000 0.918 252 D CB 0.187 40.758 40.800 -0.380 0.000 1.043 252 D HN 0.141 nan 8.370 nan 0.000 0.506 253 N N 3.020 121.756 118.700 0.059 0.000 2.216 253 N HA -0.094 4.646 4.740 -0.001 0.000 0.183 253 N C 1.525 177.055 175.510 0.033 0.000 1.017 253 N CA 0.797 53.876 53.050 0.048 0.000 0.861 253 N CB 0.242 38.777 38.487 0.080 0.000 0.986 253 N HN 0.284 nan 8.380 nan 0.000 0.428 254 K N -1.085 119.340 120.400 0.041 0.000 2.044 254 K HA 0.032 4.352 4.320 -0.001 0.000 0.204 254 K C 0.577 177.192 176.600 0.024 0.000 1.049 254 K CA 1.221 57.529 56.287 0.035 0.000 0.945 254 K CB 0.116 32.641 32.500 0.043 0.000 0.724 254 K HN 0.276 nan 8.250 nan 0.000 0.440 255 G N 0.811 109.618 108.800 0.012 0.000 2.159 255 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.170 255 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.170 255 G C 0.074 174.979 174.900 0.008 0.000 1.007 255 G CA 0.273 45.377 45.100 0.008 0.000 0.672 255 G HN 0.332 nan 8.290 nan 0.000 0.507 256 D N 0.775 121.180 120.400 0.008 0.000 2.348 256 D HA -0.011 4.629 4.640 -0.001 0.000 0.216 256 D C 2.538 178.829 176.300 -0.015 0.000 0.970 256 D CA 1.612 55.614 54.000 0.004 0.000 0.889 256 D CB -0.095 40.713 40.800 0.014 0.000 0.912 256 D HN 0.639 nan 8.370 nan 0.000 0.524 257 T N -1.958 112.577 114.554 -0.031 0.000 3.113 257 T HA 0.275 4.624 4.350 -0.001 0.000 0.256 257 T C 1.021 175.687 174.700 -0.056 0.000 1.131 257 T CA -0.113 61.951 62.100 -0.061 0.000 1.074 257 T CB 0.048 68.864 68.868 -0.087 0.000 0.944 257 T HN 0.052 nan 8.240 nan 0.000 0.516 258 A N 1.452 124.263 122.820 -0.015 0.000 2.511 258 A HA 0.551 4.870 4.320 -0.001 0.000 0.242 258 A C -0.285 177.322 177.584 0.039 0.000 1.069 258 A CA -0.331 51.727 52.037 0.036 0.000 0.763 258 A CB -0.110 18.935 19.000 0.075 0.000 1.001 258 A HN 0.514 nan 8.150 nan 0.000 0.498 259 L N 2.743 124.010 121.223 0.072 0.000 2.409 259 L HA 0.546 4.886 4.340 -0.001 0.000 0.272 259 L C -0.675 176.247 176.870 0.086 0.000 0.980 259 L CA -0.594 54.280 54.840 0.057 0.000 0.826 259 L CB 1.471 43.530 42.059 -0.001 0.000 1.268 259 L HN 0.656 nan 8.230 nan 0.000 0.407 260 F N 3.861 123.769 119.950 -0.070 0.000 2.578 260 F HA 0.393 4.919 4.527 -0.001 0.000 0.381 260 F C 0.031 175.704 175.800 -0.210 0.000 1.069 260 F CA 0.702 58.625 58.000 -0.128 0.000 1.231 260 F CB 0.417 39.370 39.000 -0.079 0.000 1.086 260 F HN 0.558 nan 8.300 nan 0.000 0.564 261 T N 5.504 119.471 114.554 -0.978 0.000 2.824 261 T HA 0.198 4.547 4.350 -0.001 0.000 0.282 261 T C -1.533 172.529 174.700 -1.063 0.000 0.993 261 T CA -0.459 61.126 62.100 -0.858 0.000 0.967 261 T CB 0.880 69.196 68.868 -0.920 0.000 0.960 261 T HN 0.607 nan 8.240 nan 0.000 0.441 262 H N 2.884 121.640 119.070 -0.524 0.000 2.595 262 H HA 0.581 5.136 4.556 -0.001 0.000 0.313 262 H C -0.322 174.819 175.328 -0.312 0.000 1.023 262 H CA -0.718 55.144 56.048 -0.309 0.000 1.218 262 H CB 0.648 30.431 29.762 0.034 0.000 1.403 262 H HN 0.466 nan 8.280 nan 0.000 0.477 263 M N 6.692 126.013 119.600 -0.464 0.000 2.146 263 M HA 0.265 4.744 4.480 -0.001 0.000 0.357 263 M C -0.768 175.312 176.300 -0.365 0.000 1.261 263 M CA -0.532 54.544 55.300 -0.373 0.000 1.106 263 M CB 0.545 32.963 32.600 -0.304 0.000 1.612 263 M HN 0.704 nan 8.290 nan 0.000 0.470 264 M N 6.883 126.348 119.600 -0.226 0.000 2.245 264 M HA 0.164 4.643 4.480 -0.001 0.000 0.330 264 M C -1.688 174.463 176.300 -0.247 0.000 1.098 264 M CA -1.247 53.956 55.300 -0.162 0.000 1.172 264 M CB 0.073 32.606 32.600 -0.112 0.000 1.467 264 M HN 0.445 nan 8.290 nan 0.000 0.454 265 P HA 0.148 nan 4.420 nan 0.000 0.245 265 P C -0.503 176.517 177.300 -0.467 0.000 1.199 265 P CA 0.926 63.641 63.100 -0.642 0.000 0.807 265 P CB 0.301 31.231 31.700 -1.284 0.000 1.002 266 F N -2.728 117.220 119.950 -0.005 0.000 2.629 266 F HA 0.332 4.858 4.527 -0.001 0.000 0.386 266 F C 1.933 177.816 175.800 0.138 0.000 1.135 266 F CA -1.168 56.871 58.000 0.065 0.000 1.116 266 F CB 0.087 39.060 39.000 -0.046 0.000 1.426 266 F HN -0.318 nan 8.300 nan 0.000 0.501 267 Y N 0.243 120.693 120.300 0.249 0.000 2.457 267 Y HA 0.164 4.713 4.550 -0.001 0.000 0.292 267 Y C 0.657 176.478 175.900 -0.132 0.000 1.125 267 Y CA 0.885 58.998 58.100 0.022 0.000 1.254 267 Y CB 0.131 38.531 38.460 -0.101 0.000 1.012 267 Y HN 0.323 nan 8.280 nan 0.000 0.555 268 S N -1.546 113.994 115.700 -0.266 0.000 2.579 268 S HA 0.233 4.703 4.470 -0.001 0.000 0.272 268 S C -0.344 174.183 174.600 -0.122 0.000 1.141 268 S CA -0.448 57.500 58.200 -0.420 0.000 0.843 268 S CB 0.227 63.120 63.200 -0.512 0.000 1.122 268 S HN 0.289 nan 8.310 nan 0.000 0.468 269 Y N 1.045 121.312 120.300 -0.056 0.000 2.529 269 Y HA 0.266 4.816 4.550 -0.001 0.000 0.290 269 Y C 0.528 176.522 175.900 0.157 0.000 1.177 269 Y CA -0.385 57.717 58.100 0.004 0.000 1.305 269 Y CB -1.057 37.326 38.460 -0.129 0.000 1.047 269 Y HN 0.570 nan 8.280 nan 0.000 0.522 270 D N 0.703 121.126 120.400 0.038 0.000 2.363 270 D HA -0.044 4.596 4.640 -0.001 0.000 0.240 270 D C 1.234 177.666 176.300 0.221 0.000 1.236 270 D CA -0.334 53.769 54.000 0.172 0.000 0.927 270 D CB 0.784 41.648 40.800 0.106 0.000 1.150 270 D HN 0.255 nan 8.370 nan 0.000 0.458 271 I N 0.019 120.694 120.570 0.175 0.000 2.163 271 I HA -0.171 3.998 4.170 -0.001 0.000 0.243 271 I C -0.722 175.434 176.117 0.065 0.000 1.085 271 I CA 0.987 62.372 61.300 0.141 0.000 1.347 271 I CB -1.245 36.823 38.000 0.113 0.000 1.044 271 I HN 0.368 nan 8.210 nan 0.000 0.408 272 P HA -0.175 nan 4.420 nan 0.000 0.218 272 P C 0.630 177.640 177.300 -0.484 0.000 1.146 272 P CA 1.682 64.610 63.100 -0.287 0.000 0.813 272 P CB -0.138 31.395 31.700 -0.279 0.000 0.778 273 H N -2.964 116.087 119.070 -0.031 0.000 2.487 273 H HA 0.224 4.780 4.556 -0.001 0.000 0.290 273 H C 0.907 176.294 175.328 0.098 0.000 1.081 273 H CA 0.626 56.652 56.048 -0.036 0.000 1.116 273 H CB -0.279 29.543 29.762 0.100 0.000 1.560 273 H HN 0.130 nan 8.280 nan 0.000 0.548 274 T N -4.285 110.365 114.554 0.161 0.000 2.986 274 T HA -0.030 4.320 4.350 -0.001 0.000 0.264 274 T C 1.841 176.659 174.700 0.197 0.000 0.964 274 T CA 0.365 62.605 62.100 0.234 0.000 0.895 274 T CB -0.698 68.311 68.868 0.236 0.000 1.163 274 T HN 0.519 nan 8.240 nan 0.000 0.517 275 c N 1.655 120.327 118.600 0.121 0.000 2.495 275 c HA 0.696 5.265 4.570 -0.001 0.000 0.275 275 c C 1.371 175.557 174.090 0.160 0.000 1.392 275 c CA 0.402 56.845 56.329 0.191 0.000 1.766 275 c CB -1.167 41.419 42.510 0.127 0.000 1.933 275 c HN 0.898 nan 8.230 nan 0.000 0.519 276 G N -0.446 108.334 108.800 -0.033 0.000 2.327 276 G HA2 0.362 4.321 3.960 -0.001 0.000 0.291 276 G HA3 0.362 4.321 3.960 -0.001 0.000 0.291 276 G C -2.695 171.704 174.900 -0.834 0.000 1.290 276 G CA 0.194 45.187 45.100 -0.180 0.000 0.857 276 G HN -0.103 nan 8.290 nan 0.000 0.520 277 P HA 0.077 nan 4.420 nan 0.000 0.223 277 P C -0.011 176.882 177.300 -0.679 0.000 1.151 277 P CA 1.174 63.636 63.100 -1.063 0.000 0.787 277 P CB 0.290 31.718 31.700 -0.454 0.000 0.788 278 D N 0.466 120.566 120.400 -0.499 0.000 2.454 278 D HA 0.143 4.782 4.640 -0.001 0.000 0.225 278 D C -1.535 174.421 176.300 -0.574 0.000 1.081 278 D CA -2.650 51.102 54.000 -0.414 0.000 0.864 278 D CB 1.287 41.929 40.800 -0.264 0.000 1.040 278 D HN -0.017 nan 8.370 nan 0.000 0.517 279 P HA -0.132 nan 4.420 nan 0.000 0.221 279 P C 1.253 177.715 177.300 -1.396 0.000 1.150 279 P CA 0.670 63.012 63.100 -1.263 0.000 0.800 279 P CB 0.512 31.190 31.700 -1.703 0.000 0.787 280 K N 0.332 120.055 120.400 -1.129 0.000 2.097 280 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 280 K C 1.808 178.216 176.600 -0.320 0.000 1.049 280 K CA 1.295 57.229 56.287 -0.589 0.000 0.933 280 K CB -0.293 32.048 32.500 -0.266 0.000 0.717 280 K HN -0.074 nan 8.250 nan 0.000 0.442 281 V N 0.339 120.072 119.914 -0.301 0.000 2.331 281 V HA -0.237 3.882 4.120 -0.001 0.000 0.242 281 V C 2.443 178.500 176.094 -0.062 0.000 1.034 281 V CA 1.426 63.645 62.300 -0.135 0.000 1.027 281 V CB -0.364 31.394 31.823 -0.107 0.000 0.667 281 V HN 0.485 nan 8.190 nan 0.000 0.457 282 c N -0.587 117.897 118.600 -0.192 0.000 2.413 282 c HA -0.225 4.345 4.570 -0.001 0.000 0.277 282 c C 3.012 177.054 174.090 -0.081 0.000 1.265 282 c CA 1.011 57.276 56.329 -0.107 0.000 1.752 282 c CB -1.440 40.920 42.510 -0.250 0.000 1.998 282 c HN 0.775 nan 8.230 nan 0.000 0.489 283 c N 0.754 119.224 118.600 -0.217 0.000 2.419 283 c HA -0.137 4.433 4.570 -0.001 0.000 0.281 283 c C 2.627 176.608 174.090 -0.183 0.000 1.336 283 c CA 1.182 57.439 56.329 -0.120 0.000 1.770 283 c CB -1.467 41.057 42.510 0.022 0.000 1.929 283 c HN 0.640 nan 8.230 nan 0.000 0.509 284 Q N -1.258 118.380 119.800 -0.270 0.000 2.500 284 Q HA -0.055 4.285 4.340 -0.001 0.000 0.213 284 Q C 0.680 176.031 176.000 -1.082 0.000 0.974 284 Q CA 1.111 56.569 55.803 -0.575 0.000 0.918 284 Q CB -0.056 28.314 28.738 -0.612 0.000 0.980 284 Q HN 0.755 nan 8.270 nan 0.000 0.505 285 F N -0.393 119.257 119.950 -0.499 0.000 2.698 285 F HA 0.172 4.699 4.527 -0.001 0.000 0.304 285 F C 0.206 175.703 175.800 -0.505 0.000 1.108 285 F CA -0.641 56.942 58.000 -0.695 0.000 1.263 285 F CB 0.780 39.611 39.000 -0.282 0.000 1.013 285 F HN -0.151 nan 8.300 nan 0.000 0.532 286 D N 0.209 120.398 120.400 -0.352 0.000 2.456 286 D HA 0.128 4.767 4.640 -0.001 0.000 0.219 286 D C 0.558 176.680 176.300 -0.296 0.000 1.126 286 D CA -0.246 53.648 54.000 -0.175 0.000 0.890 286 D CB 0.128 40.883 40.800 -0.076 0.000 1.025 286 D HN 0.124 nan 8.370 nan 0.000 0.511 287 F N 1.827 121.791 119.950 0.024 0.000 2.802 287 F HA 0.081 4.608 4.527 -0.001 0.000 0.300 287 F C 2.343 178.115 175.800 -0.048 0.000 1.168 287 F CA 0.259 58.249 58.000 -0.016 0.000 1.433 287 F CB 0.148 39.159 39.000 0.018 0.000 1.115 287 F HN 0.257 nan 8.300 nan 0.000 0.582 288 K N 0.747 121.112 120.400 -0.057 0.000 2.486 288 K HA 0.027 4.346 4.320 -0.001 0.000 0.194 288 K C 1.006 177.601 176.600 -0.008 0.000 1.033 288 K CA 0.350 56.498 56.287 -0.233 0.000 1.004 288 K CB 0.102 32.303 32.500 -0.497 0.000 0.798 288 K HN 0.189 nan 8.250 nan 0.000 0.495 289 R N 0.071 120.575 120.500 0.007 0.000 2.702 289 R HA 0.206 4.546 4.340 -0.001 0.000 0.314 289 R C 0.793 177.123 176.300 0.050 0.000 1.152 289 R CA -0.164 55.954 56.100 0.031 0.000 1.097 289 R CB 0.262 30.558 30.300 -0.008 0.000 1.343 289 R HN 0.181 nan 8.270 nan 0.000 0.575 290 M N -1.267 118.397 119.600 0.107 0.000 2.441 290 M HA 0.207 4.686 4.480 -0.001 0.000 0.244 290 M C 1.145 177.483 176.300 0.063 0.000 1.122 290 M CA 0.663 56.009 55.300 0.077 0.000 1.041 290 M CB 1.037 33.695 32.600 0.097 0.000 1.438 290 M HN 0.493 nan 8.290 nan 0.000 0.484 291 G N 0.086 108.937 108.800 0.085 0.000 3.638 291 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.196 291 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.196 291 G C 0.986 175.894 174.900 0.013 0.000 1.315 291 G CA 0.240 45.364 45.100 0.040 0.000 0.944 291 G HN 0.383 nan 8.290 nan 0.000 0.434 292 S N 0.363 116.032 115.700 -0.052 0.000 2.440 292 S HA 0.123 4.592 4.470 -0.001 0.000 0.238 292 S C 1.766 176.191 174.600 -0.291 0.000 1.010 292 S CA 1.675 59.752 58.200 -0.205 0.000 0.972 292 S CB -0.474 62.526 63.200 -0.334 0.000 0.774 292 S HN 0.418 nan 8.310 nan 0.000 0.501 293 F N 1.799 121.747 119.950 -0.004 0.000 2.693 293 F HA 0.415 4.941 4.527 -0.001 0.000 0.303 293 F C 1.848 177.645 175.800 -0.005 0.000 1.097 293 F CA 0.006 58.002 58.000 -0.006 0.000 1.330 293 F CB -0.138 38.855 39.000 -0.012 0.000 1.067 293 F HN 0.354 nan 8.300 nan 0.000 0.565 294 G N 1.463 110.334 108.800 0.119 0.000 2.225 294 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.267 294 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.267 294 G C -0.120 174.828 174.900 0.081 0.000 1.024 294 G CA 0.178 45.322 45.100 0.074 0.000 0.784 294 G HN 0.336 nan 8.290 nan 0.000 0.507 295 L N -0.230 121.054 121.223 0.103 0.000 2.319 295 L HA 0.886 5.226 4.340 -0.001 0.000 0.267 295 L C 0.515 177.417 176.870 0.053 0.000 1.011 295 L CA -0.423 54.460 54.840 0.071 0.000 0.818 295 L CB 2.329 44.428 42.059 0.066 0.000 1.316 295 L HN 0.443 nan 8.230 nan 0.000 0.432 296 S N -0.990 114.729 115.700 0.032 0.000 2.656 296 S HA 0.506 4.975 4.470 -0.001 0.000 0.273 296 S C -1.254 173.361 174.600 0.024 0.000 1.168 296 S CA -0.832 57.380 58.200 0.019 0.000 0.817 296 S CB 1.509 64.711 63.200 0.002 0.000 1.146 296 S HN 0.527 nan 8.310 nan 0.000 0.475 297 c N 3.099 121.719 118.600 0.033 0.000 2.265 297 c HA 0.517 5.087 4.570 -0.001 0.000 0.332 297 c C -1.050 173.032 174.090 -0.014 0.000 1.248 297 c CA -1.126 55.264 56.329 0.101 0.000 1.727 297 c CB 0.574 43.180 42.510 0.161 0.000 2.348 297 c HN 0.749 nan 8.230 nan 0.000 0.519 298 P HA -0.099 nan 4.420 nan 0.000 0.225 298 P C 1.077 178.063 177.300 -0.523 0.000 1.148 298 P CA 1.328 64.124 63.100 -0.506 0.000 0.779 298 P CB 0.058 31.254 31.700 -0.840 0.000 0.780 299 W N 0.193 121.469 121.300 -0.041 0.000 3.256 299 W HA 0.199 4.859 4.660 -0.001 0.000 0.269 299 W C 0.712 177.202 176.519 -0.047 0.000 1.310 299 W CA 0.037 57.353 57.345 -0.047 0.000 1.673 299 W CB -0.408 29.014 29.460 -0.063 0.000 1.115 299 W HN 0.128 nan 8.180 nan 0.000 0.686 300 K N -1.097 119.357 120.400 0.091 0.000 3.509 300 K HA -0.167 4.153 4.320 -0.001 0.000 0.302 300 K C -0.367 176.255 176.600 0.037 0.000 1.355 300 K CA 0.550 56.858 56.287 0.035 0.000 0.953 300 K CB -1.914 30.596 32.500 0.017 0.000 1.321 300 K HN -0.115 nan 8.250 nan 0.000 0.461 301 V N 1.988 121.936 119.914 0.058 0.000 2.378 301 V HA 0.327 4.446 4.120 -0.001 0.000 0.288 301 V C -1.840 174.240 176.094 -0.023 0.000 1.016 301 V CA -1.548 60.756 62.300 0.006 0.000 0.840 301 V CB 1.327 33.145 31.823 -0.009 0.000 0.994 301 V HN -0.040 nan 8.190 nan 0.000 0.431 302 P HA 0.386 nan 4.420 nan 0.000 0.276 302 P C -2.801 174.408 177.300 -0.151 0.000 1.252 302 P CA -2.032 61.026 63.100 -0.070 0.000 0.802 302 P CB 0.402 32.075 31.700 -0.044 0.000 1.035 303 P HA 0.236 nan 4.420 nan 0.000 0.271 303 P C -0.344 176.872 177.300 -0.141 0.000 1.218 303 P CA 0.198 63.106 63.100 -0.321 0.000 0.780 303 P CB 0.725 32.184 31.700 -0.402 0.000 0.901 304 R N 0.389 120.822 120.500 -0.112 0.000 2.686 304 R HA 0.394 4.734 4.340 -0.001 0.000 0.286 304 R C -0.167 176.201 176.300 0.113 0.000 0.969 304 R CA -0.688 55.411 56.100 -0.002 0.000 0.898 304 R CB 1.341 31.612 30.300 -0.048 0.000 1.183 304 R HN 0.353 nan 8.270 nan 0.000 0.456 305 T N 3.927 118.530 114.554 0.082 0.000 2.891 305 T HA 0.000 4.350 4.350 -0.001 0.000 0.296 305 T C 0.743 175.422 174.700 -0.034 0.000 1.025 305 T CA 0.298 62.406 62.100 0.013 0.000 1.149 305 T CB 0.087 68.951 68.868 -0.008 0.000 1.007 305 T HN 0.196 nan 8.240 nan 0.000 0.528 306 I N 3.827 124.325 120.570 -0.121 0.000 2.474 306 I HA 0.310 4.479 4.170 -0.001 0.000 0.287 306 I C 0.941 177.004 176.117 -0.090 0.000 1.048 306 I CA -0.031 61.206 61.300 -0.105 0.000 1.383 306 I CB 0.619 38.521 38.000 -0.163 0.000 1.412 306 I HN 0.773 nan 8.210 nan 0.000 0.531 307 S N 3.508 119.168 115.700 -0.067 0.000 2.651 307 S HA 0.401 4.871 4.470 -0.001 0.000 0.279 307 S C 0.291 174.858 174.600 -0.054 0.000 1.148 307 S CA -0.802 57.367 58.200 -0.051 0.000 0.837 307 S CB 2.179 65.356 63.200 -0.038 0.000 1.138 307 S HN 0.536 nan 8.310 nan 0.000 0.478 308 D N 0.670 121.048 120.400 -0.037 0.000 2.265 308 D HA -0.091 4.548 4.640 -0.001 0.000 0.208 308 D C 1.354 177.628 176.300 -0.042 0.000 0.977 308 D CA 1.405 55.385 54.000 -0.033 0.000 0.871 308 D CB -0.131 40.665 40.800 -0.008 0.000 0.925 308 D HN 0.535 nan 8.370 nan 0.000 0.485 309 Q N 0.179 119.956 119.800 -0.037 0.000 2.354 309 Q HA -0.019 4.321 4.340 -0.001 0.000 0.203 309 Q C 1.311 177.286 176.000 -0.042 0.000 0.933 309 Q CA 0.678 56.462 55.803 -0.032 0.000 0.901 309 Q CB 0.051 28.776 28.738 -0.022 0.000 1.007 309 Q HN 0.346 nan 8.270 nan 0.000 0.495 310 N N -1.536 117.131 118.700 -0.054 0.000 2.197 310 N HA -0.016 4.724 4.740 -0.001 0.000 0.201 310 N C 1.147 176.609 175.510 -0.079 0.000 1.148 310 N CA 0.133 53.151 53.050 -0.053 0.000 0.883 310 N CB -0.260 38.202 38.487 -0.041 0.000 1.012 310 N HN 0.045 nan 8.380 nan 0.000 0.507 311 V N 0.492 120.324 119.914 -0.136 0.000 2.407 311 V HA -0.108 4.011 4.120 -0.001 0.000 0.248 311 V C 2.208 178.099 176.094 -0.337 0.000 1.055 311 V CA 2.083 64.252 62.300 -0.218 0.000 1.049 311 V CB -0.849 30.818 31.823 -0.259 0.000 0.662 311 V HN 0.447 nan 8.190 nan 0.000 0.455 312 A N -0.285 122.321 122.820 -0.357 0.000 1.873 312 A HA 0.032 4.352 4.320 -0.001 0.000 0.215 312 A C 2.402 180.020 177.584 0.057 0.000 1.186 312 A CA 1.925 53.858 52.037 -0.173 0.000 0.616 312 A CB -0.955 18.036 19.000 -0.014 0.000 0.823 312 A HN 0.788 nan 8.150 nan 0.000 0.442 313 A N -0.608 122.224 122.820 0.020 0.000 1.968 313 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 313 A C 2.224 179.844 177.584 0.060 0.000 1.169 313 A CA 1.161 53.228 52.037 0.051 0.000 0.638 313 A CB -0.373 18.641 19.000 0.024 0.000 0.812 313 A HN 0.405 nan 8.150 nan 0.000 0.446 314 R N 0.039 120.568 120.500 0.048 0.000 2.075 314 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 314 R C 2.367 178.708 176.300 0.067 0.000 1.126 314 R CA 1.535 57.720 56.100 0.142 0.000 0.963 314 R CB -0.916 29.468 30.300 0.140 0.000 0.858 314 R HN 0.516 nan 8.270 nan 0.000 0.435 315 S N 1.403 117.087 115.700 -0.027 0.000 2.382 315 S HA -0.117 4.353 4.470 -0.001 0.000 0.228 315 S C 1.342 175.794 174.600 -0.246 0.000 1.027 315 S CA 1.292 59.380 58.200 -0.187 0.000 0.991 315 S CB -0.212 63.015 63.200 0.046 0.000 0.823 315 S HN 0.262 nan 8.310 nan 0.000 0.469 316 D N 1.665 122.111 120.400 0.077 0.000 2.106 316 D HA -0.091 4.549 4.640 -0.001 0.000 0.191 316 D C 1.924 178.215 176.300 -0.014 0.000 0.997 316 D CA 0.919 55.022 54.000 0.172 0.000 0.834 316 D CB -0.446 40.478 40.800 0.207 0.000 0.956 316 D HN 0.288 nan 8.370 nan 0.000 0.448 317 L N -0.065 121.132 121.223 -0.045 0.000 2.017 317 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 317 L C 2.470 179.158 176.870 -0.303 0.000 1.073 317 L CA 0.549 55.342 54.840 -0.079 0.000 0.745 317 L CB -0.270 41.820 42.059 0.052 0.000 0.894 317 L HN 0.084 nan 8.230 nan 0.000 0.432 318 L N -0.634 120.228 121.223 -0.602 0.000 2.027 318 L HA -0.150 4.190 4.340 -0.001 0.000 0.206 318 L C 2.360 178.544 176.870 -1.144 0.000 1.074 318 L CA 1.564 55.722 54.840 -1.135 0.000 0.745 318 L CB -0.378 40.696 42.059 -1.643 0.000 0.898 318 L HN -0.081 nan 8.230 nan 0.000 0.433 319 V N -0.075 119.268 119.914 -0.952 0.000 2.469 319 V HA -0.311 3.808 4.120 -0.001 0.000 0.251 319 V C 2.274 178.178 176.094 -0.316 0.000 1.064 319 V CA 1.924 63.813 62.300 -0.684 0.000 1.066 319 V CB -0.817 30.538 31.823 -0.780 0.000 0.667 319 V HN 0.598 nan 8.190 nan 0.000 0.461 320 D N -0.850 119.423 120.400 -0.212 0.000 2.117 320 D HA -0.183 4.456 4.640 -0.001 0.000 0.198 320 D C 2.232 178.501 176.300 -0.052 0.000 0.982 320 D CA 1.015 55.012 54.000 -0.006 0.000 0.828 320 D CB -0.009 40.849 40.800 0.095 0.000 0.967 320 D HN 0.287 nan 8.370 nan 0.000 0.464 321 Q N -0.367 119.335 119.800 -0.164 0.000 2.061 321 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 321 Q C 2.140 178.144 176.000 0.007 0.000 0.984 321 Q CA 1.046 56.773 55.803 -0.126 0.000 0.846 321 Q CB -0.660 27.945 28.738 -0.223 0.000 0.902 321 Q HN 0.543 nan 8.270 nan 0.000 0.421 322 W N 1.461 122.652 121.300 -0.181 0.000 2.335 322 W HA -0.114 4.546 4.660 -0.001 0.000 0.311 322 W C 2.135 178.546 176.519 -0.180 0.000 1.213 322 W CA 0.804 58.047 57.345 -0.170 0.000 1.274 322 W CB -0.744 28.587 29.460 -0.214 0.000 1.148 322 W HN 0.220 nan 8.180 nan 0.000 0.498 323 K N 0.093 120.462 120.400 -0.051 0.000 2.211 323 K HA -0.147 4.172 4.320 -0.001 0.000 0.203 323 K C 1.955 178.411 176.600 -0.241 0.000 1.050 323 K CA 1.243 57.349 56.287 -0.301 0.000 0.945 323 K CB -0.171 31.833 32.500 -0.828 0.000 0.732 323 K HN 0.077 nan 8.250 nan 0.000 0.451 324 K N 0.879 121.221 120.400 -0.097 0.000 2.025 324 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 324 K C 2.073 178.739 176.600 0.109 0.000 1.049 324 K CA 1.175 57.523 56.287 0.101 0.000 0.933 324 K CB -0.013 32.561 32.500 0.123 0.000 0.714 324 K HN -0.007 nan 8.250 nan 0.000 0.438 325 K N 0.892 121.363 120.400 0.119 0.000 2.074 325 K HA -0.186 4.134 4.320 -0.001 0.000 0.209 325 K C 2.051 178.775 176.600 0.206 0.000 1.048 325 K CA 1.501 57.894 56.287 0.176 0.000 0.926 325 K CB -0.162 32.475 32.500 0.228 0.000 0.713 325 K HN 0.163 nan 8.250 nan 0.000 0.444 326 A N 1.217 124.145 122.820 0.181 0.000 2.024 326 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 326 A C 1.746 179.499 177.584 0.281 0.000 1.164 326 A CA 1.482 53.662 52.037 0.238 0.000 0.643 326 A CB -0.374 18.721 19.000 0.160 0.000 0.806 326 A HN 0.349 nan 8.150 nan 0.000 0.451 327 E N -0.021 120.318 120.200 0.231 0.000 2.333 327 E HA -0.094 4.255 4.350 -0.001 0.000 0.198 327 E C 1.624 178.343 176.600 0.199 0.000 1.007 327 E CA 0.638 57.182 56.400 0.240 0.000 0.845 327 E CB -0.232 29.634 29.700 0.277 0.000 0.766 327 E HN 0.717 nan 8.360 nan 0.000 0.507 328 L N -0.589 120.699 121.223 0.108 0.000 2.558 328 L HA 0.039 4.378 4.340 -0.001 0.000 0.225 328 L C 0.315 176.974 176.870 -0.352 0.000 1.128 328 L CA 0.322 55.092 54.840 -0.117 0.000 0.868 328 L CB -0.074 41.782 42.059 -0.338 0.000 1.006 328 L HN 0.014 nan 8.230 nan 0.000 0.454 329 Y N -1.678 118.705 120.300 0.138 0.000 2.633 329 Y HA 0.373 4.923 4.550 -0.001 0.000 0.339 329 Y C 1.117 177.137 175.900 0.200 0.000 1.045 329 Y CA -0.955 57.247 58.100 0.171 0.000 1.098 329 Y CB 1.222 39.792 38.460 0.184 0.000 1.296 329 Y HN -0.296 nan 8.280 nan 0.000 0.494 330 R N -0.561 120.193 120.500 0.423 0.000 2.290 330 R HA 0.101 4.441 4.340 -0.001 0.000 0.197 330 R C 0.218 176.655 176.300 0.229 0.000 0.913 330 R CA 0.632 56.889 56.100 0.263 0.000 1.040 330 R CB 0.370 30.772 30.300 0.169 0.000 0.992 330 R HN 0.735 nan 8.270 nan 0.000 0.500 331 T N -0.941 113.787 114.554 0.291 0.000 2.937 331 T HA 0.101 4.450 4.350 -0.001 0.000 0.283 331 T C 0.655 175.497 174.700 0.238 0.000 1.012 331 T CA -0.972 61.263 62.100 0.224 0.000 0.997 331 T CB 1.311 70.286 68.868 0.179 0.000 1.136 331 T HN 0.071 nan 8.240 nan 0.000 0.551 332 N N 0.279 119.090 118.700 0.186 0.000 2.362 332 N HA 0.090 4.830 4.740 -0.001 0.000 0.211 332 N C -0.600 174.883 175.510 -0.046 0.000 1.170 332 N CA -0.309 52.804 53.050 0.104 0.000 0.828 332 N CB -0.293 38.167 38.487 -0.044 0.000 1.034 332 N HN 0.387 nan 8.380 nan 0.000 0.475 333 V N 1.284 121.211 119.914 0.023 0.000 2.409 333 V HA 0.402 4.521 4.120 -0.001 0.000 0.291 333 V C -0.549 175.630 176.094 0.143 0.000 1.020 333 V CA -1.003 61.314 62.300 0.029 0.000 0.848 333 V CB 1.455 33.274 31.823 -0.007 0.000 0.990 333 V HN 0.166 nan 8.190 nan 0.000 0.430 334 L N 5.711 126.952 121.223 0.031 0.000 2.341 334 L HA 0.691 5.031 4.340 -0.001 0.000 0.278 334 L C -0.839 175.887 176.870 -0.240 0.000 1.005 334 L CA -0.488 54.290 54.840 -0.103 0.000 0.818 334 L CB 1.659 43.565 42.059 -0.256 0.000 1.259 334 L HN 0.627 nan 8.230 nan 0.000 0.418 335 L N 6.300 127.166 121.223 -0.594 0.000 2.265 335 L HA 0.538 4.878 4.340 -0.001 0.000 0.288 335 L C -0.947 175.653 176.870 -0.449 0.000 1.058 335 L CA 0.151 54.490 54.840 -0.834 0.000 0.809 335 L CB 0.739 41.852 42.059 -1.577 0.000 1.179 335 L HN 0.440 nan 8.230 nan 0.000 0.429 336 I N 7.369 127.751 120.570 -0.313 0.000 2.555 336 I HA 0.316 4.485 4.170 -0.001 0.000 0.275 336 I C -2.263 173.848 176.117 -0.010 0.000 1.082 336 I CA -2.096 59.120 61.300 -0.142 0.000 1.167 336 I CB 0.899 38.790 38.000 -0.183 0.000 1.312 336 I HN 0.410 nan 8.210 nan 0.000 0.493 337 P HA 0.052 nan 4.420 nan 0.000 0.264 337 P C -0.354 177.136 177.300 0.317 0.000 1.183 337 P CA -0.028 63.223 63.100 0.252 0.000 0.763 337 P CB 0.675 32.561 31.700 0.310 0.000 0.807 338 L N 3.869 125.305 121.223 0.355 0.000 2.417 338 L HA 0.752 5.092 4.340 -0.001 0.000 0.259 338 L C 0.108 177.007 176.870 0.048 0.000 1.023 338 L CA 0.416 55.381 54.840 0.207 0.000 0.901 338 L CB 0.432 42.552 42.059 0.101 0.000 1.227 338 L HN 0.621 nan 8.230 nan 0.000 0.454 339 G N 1.878 110.591 108.800 -0.145 0.000 2.321 339 G HA2 0.412 4.372 3.960 -0.001 0.000 0.296 339 G HA3 0.412 4.372 3.960 -0.001 0.000 0.296 339 G C -2.137 172.670 174.900 -0.155 0.000 1.287 339 G CA -0.275 44.570 45.100 -0.426 0.000 0.846 339 G HN 0.378 nan 8.290 nan 0.000 0.508 340 D N -1.854 118.521 120.400 -0.042 0.000 2.865 340 D HA 0.249 4.888 4.640 -0.001 0.000 0.343 340 D C -1.000 175.446 176.300 0.243 0.000 1.372 340 D CA -0.615 53.524 54.000 0.233 0.000 0.862 340 D CB 0.960 41.844 40.800 0.141 0.000 1.425 340 D HN 0.214 nan 8.370 nan 0.000 0.501 341 N N 0.493 119.386 118.700 0.322 0.000 2.468 341 N HA 0.181 4.920 4.740 -0.001 0.000 0.265 341 N C -0.146 175.515 175.510 0.253 0.000 1.199 341 N CA 0.384 53.599 53.050 0.276 0.000 0.928 341 N CB -0.455 38.303 38.487 0.450 0.000 1.059 341 N HN 0.414 nan 8.380 nan 0.000 0.467 342 F N -0.737 119.283 119.950 0.117 0.000 3.079 342 F HA -0.308 4.219 4.527 -0.001 0.000 0.274 342 F C 0.964 176.810 175.800 0.076 0.000 0.940 342 F CA 0.599 58.644 58.000 0.075 0.000 0.932 342 F CB -0.912 38.117 39.000 0.048 0.000 0.891 342 F HN 0.335 nan 8.300 nan 0.000 0.722 343 R N -0.345 120.248 120.500 0.155 0.000 2.649 343 R HA 0.429 4.768 4.340 -0.001 0.000 0.270 343 R C 0.726 177.073 176.300 0.079 0.000 1.105 343 R CA -0.678 55.406 56.100 -0.027 0.000 1.193 343 R CB -0.105 30.070 30.300 -0.208 0.000 1.120 343 R HN 0.266 nan 8.270 nan 0.000 0.561 344 F N -0.819 118.977 119.950 -0.257 0.000 3.071 344 F HA -0.282 4.245 4.527 -0.001 0.000 0.295 344 F C 1.393 177.165 175.800 -0.045 0.000 0.919 344 F CA 1.009 58.683 58.000 -0.544 0.000 1.050 344 F CB -0.914 37.471 39.000 -1.025 0.000 1.040 344 F HN 0.596 nan 8.300 nan 0.000 0.692 345 K N 0.113 120.578 120.400 0.107 0.000 2.099 345 K HA 0.036 4.355 4.320 -0.001 0.000 0.203 345 K C 0.631 177.372 176.600 0.236 0.000 1.047 345 K CA 0.973 57.386 56.287 0.210 0.000 0.963 345 K CB 0.210 32.804 32.500 0.158 0.000 0.759 345 K HN 0.441 nan 8.250 nan 0.000 0.451 346 Q N 0.869 120.781 119.800 0.186 0.000 2.241 346 Q HA 0.161 4.500 4.340 -0.001 0.000 0.254 346 Q C 0.253 176.445 176.000 0.319 0.000 0.917 346 Q CA -0.406 55.536 55.803 0.231 0.000 0.919 346 Q CB 1.612 30.518 28.738 0.280 0.000 1.237 346 Q HN 0.208 nan 8.270 nan 0.000 0.434 347 N N 0.749 119.632 118.700 0.304 0.000 2.161 347 N HA -0.297 4.442 4.740 -0.001 0.000 0.199 347 N C 1.422 177.112 175.510 0.299 0.000 0.990 347 N CA 2.567 55.820 53.050 0.338 0.000 0.902 347 N CB -0.018 38.667 38.487 0.330 0.000 1.074 347 N HN 0.770 nan 8.380 nan 0.000 0.556 348 T N -1.297 113.431 114.554 0.291 0.000 2.833 348 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 348 T C 1.703 176.607 174.700 0.340 0.000 1.054 348 T CA 1.455 63.743 62.100 0.314 0.000 1.135 348 T CB -0.285 68.762 68.868 0.298 0.000 0.869 348 T HN 0.388 nan 8.240 nan 0.000 0.466 349 E N 0.075 120.417 120.200 0.237 0.000 2.031 349 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 349 E C 1.875 178.390 176.600 -0.142 0.000 0.994 349 E CA 1.228 57.513 56.400 -0.191 0.000 0.800 349 E CB -0.341 29.066 29.700 -0.489 0.000 0.752 349 E HN 0.707 nan 8.360 nan 0.000 0.447 350 W N 1.712 122.918 121.300 -0.157 0.000 2.317 350 W HA -0.225 4.434 4.660 -0.001 0.000 0.318 350 W C 2.257 178.743 176.519 -0.055 0.000 1.227 350 W CA 1.462 58.704 57.345 -0.171 0.000 1.269 350 W CB -0.410 28.529 29.460 -0.867 0.000 1.155 350 W HN 0.213 nan 8.180 nan 0.000 0.484 351 D N -0.558 119.982 120.400 0.233 0.000 2.117 351 D HA -0.175 4.464 4.640 -0.001 0.000 0.197 351 D C 2.249 178.645 176.300 0.159 0.000 0.987 351 D CA 1.629 55.770 54.000 0.234 0.000 0.829 351 D CB -0.965 39.980 40.800 0.242 0.000 0.961 351 D HN 0.095 nan 8.370 nan 0.000 0.460 352 V N 0.984 120.982 119.914 0.140 0.000 2.427 352 V HA -0.200 3.919 4.120 -0.001 0.000 0.248 352 V C 2.182 178.321 176.094 0.074 0.000 1.051 352 V CA 1.537 63.897 62.300 0.100 0.000 1.048 352 V CB -0.045 31.886 31.823 0.179 0.000 0.666 352 V HN 0.112 nan 8.190 nan 0.000 0.456 353 Q N -0.124 119.760 119.800 0.141 0.000 2.049 353 Q HA -0.195 4.144 4.340 -0.001 0.000 0.198 353 Q C 2.359 178.569 176.000 0.350 0.000 0.971 353 Q CA 2.034 58.013 55.803 0.293 0.000 0.833 353 Q CB -0.483 28.385 28.738 0.217 0.000 0.896 353 Q HN 0.642 nan 8.270 nan 0.000 0.434 354 R N 0.446 121.109 120.500 0.272 0.000 2.073 354 R HA -0.103 4.237 4.340 -0.001 0.000 0.234 354 R C 2.254 178.721 176.300 0.277 0.000 1.134 354 R CA 1.338 57.640 56.100 0.337 0.000 0.952 354 R CB -0.078 30.375 30.300 0.254 0.000 0.850 354 R HN 0.056 nan 8.270 nan 0.000 0.433 355 V N 1.917 121.908 119.914 0.128 0.000 2.307 355 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 355 V C 2.003 178.034 176.094 -0.105 0.000 1.045 355 V CA 1.873 64.193 62.300 0.034 0.000 1.024 355 V CB -0.594 31.237 31.823 0.013 0.000 0.651 355 V HN 0.442 nan 8.190 nan 0.000 0.449 356 N N -0.769 117.762 118.700 -0.282 0.000 2.142 356 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 356 N C 1.852 177.053 175.510 -0.515 0.000 1.023 356 N CA 1.610 54.284 53.050 -0.626 0.000 0.852 356 N CB -0.323 37.210 38.487 -1.589 0.000 0.998 356 N HN 0.526 nan 8.380 nan 0.000 0.424 357 Y N 2.011 122.128 120.300 -0.305 0.000 2.181 357 Y HA -0.111 4.439 4.550 -0.001 0.000 0.288 357 Y C 2.372 177.721 175.900 -0.918 0.000 1.146 357 Y CA 1.204 59.009 58.100 -0.492 0.000 1.164 357 Y CB -0.073 38.214 38.460 -0.288 0.000 0.982 357 Y HN 0.145 nan 8.280 nan 0.000 0.515 358 E N -0.335 119.659 120.200 -0.343 0.000 2.110 358 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 358 E C 2.212 178.743 176.600 -0.114 0.000 0.988 358 E CA 0.883 57.164 56.400 -0.199 0.000 0.804 358 E CB -0.164 29.583 29.700 0.080 0.000 0.745 358 E HN 0.463 nan 8.360 nan 0.000 0.458 359 R N 0.487 120.909 120.500 -0.130 0.000 2.081 359 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 359 R C 2.451 178.721 176.300 -0.049 0.000 1.131 359 R CA 0.997 57.053 56.100 -0.072 0.000 0.960 359 R CB -0.281 29.956 30.300 -0.105 0.000 0.856 359 R HN 0.159 nan 8.270 nan 0.000 0.436 360 L N -0.481 120.650 121.223 -0.153 0.000 2.017 360 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 360 L C 2.228 179.155 176.870 0.094 0.000 1.073 360 L CA 1.505 56.296 54.840 -0.082 0.000 0.745 360 L CB -0.478 41.458 42.059 -0.205 0.000 0.894 360 L HN 0.177 nan 8.230 nan 0.000 0.432 361 F N 0.032 120.002 119.950 0.034 0.000 2.095 361 F HA -0.280 4.246 4.527 -0.001 0.000 0.298 361 F C 2.730 178.541 175.800 0.018 0.000 1.104 361 F CA 1.193 59.201 58.000 0.012 0.000 1.232 361 F CB -0.313 38.648 39.000 -0.064 0.000 0.987 361 F HN 0.186 nan 8.300 nan 0.000 0.475 362 E N 0.037 120.363 120.200 0.210 0.000 2.058 362 E HA -0.314 4.036 4.350 -0.001 0.000 0.194 362 E C 1.994 178.679 176.600 0.142 0.000 0.997 362 E CA 1.642 58.127 56.400 0.142 0.000 0.801 362 E CB -0.224 29.541 29.700 0.109 0.000 0.746 362 E HN 0.496 nan 8.360 nan 0.000 0.450 363 H N 0.243 119.359 119.070 0.077 0.000 2.299 363 H HA -0.068 4.487 4.556 -0.001 0.000 0.302 363 H C 2.080 177.488 175.328 0.134 0.000 1.078 363 H CA 2.245 58.348 56.048 0.092 0.000 1.323 363 H CB -0.218 29.595 29.762 0.086 0.000 1.381 363 H HN 0.156 nan 8.280 nan 0.000 0.498 364 I N 0.520 121.180 120.570 0.149 0.000 2.127 364 I HA -0.331 3.839 4.170 -0.001 0.000 0.241 364 I C 1.768 177.923 176.117 0.063 0.000 1.075 364 I CA 1.574 62.931 61.300 0.095 0.000 1.334 364 I CB -0.338 37.670 38.000 0.014 0.000 1.040 364 I HN 0.387 nan 8.210 nan 0.000 0.405 365 N N 0.331 119.056 118.700 0.042 0.000 2.381 365 N HA -0.115 4.624 4.740 -0.001 0.000 0.182 365 N C 1.785 177.277 175.510 -0.030 0.000 1.025 365 N CA 1.527 54.572 53.050 -0.009 0.000 0.888 365 N CB -0.322 38.151 38.487 -0.022 0.000 0.965 365 N HN 0.425 nan 8.380 nan 0.000 0.438 366 S N -0.944 114.731 115.700 -0.041 0.000 2.556 366 S HA 0.144 4.614 4.470 -0.001 0.000 0.216 366 S C 0.525 175.060 174.600 -0.109 0.000 0.970 366 S CA -0.221 57.943 58.200 -0.059 0.000 0.912 366 S CB 0.270 63.450 63.200 -0.034 0.000 0.790 366 S HN -0.026 nan 8.310 nan 0.000 0.504 367 Q N 1.481 121.181 119.800 -0.167 0.000 2.503 367 Q HA 0.531 4.870 4.340 -0.001 0.000 0.227 367 Q C 1.105 176.936 176.000 -0.283 0.000 1.109 367 Q CA 0.115 55.756 55.803 -0.270 0.000 0.922 367 Q CB 1.019 29.468 28.738 -0.481 0.000 1.249 367 Q HN 0.456 nan 8.270 nan 0.000 0.530 368 A N 2.628 125.356 122.820 -0.153 0.000 1.927 368 A HA -0.298 4.022 4.320 -0.001 0.000 0.220 368 A C 1.658 179.174 177.584 -0.113 0.000 1.185 368 A CA 2.404 54.382 52.037 -0.099 0.000 0.639 368 A CB -0.788 18.186 19.000 -0.043 0.000 0.820 368 A HN 0.894 nan 8.150 nan 0.000 0.451 369 H N -3.185 115.809 119.070 -0.127 0.000 2.489 369 H HA -0.019 4.537 4.556 -0.001 0.000 0.293 369 H C 1.544 176.820 175.328 -0.087 0.000 1.066 369 H CA 1.536 57.500 56.048 -0.140 0.000 1.305 369 H CB -0.756 28.870 29.762 -0.226 0.000 1.386 369 H HN 0.521 nan 8.280 nan 0.000 0.551 370 F N 0.908 120.586 119.950 -0.454 0.000 2.325 370 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 370 F C 0.675 176.432 175.800 -0.072 0.000 1.090 370 F CA 0.263 58.139 58.000 -0.206 0.000 1.392 370 F CB -0.010 38.838 39.000 -0.255 0.000 1.053 370 F HN 0.137 nan 8.300 nan 0.000 0.521 371 N N 0.975 119.725 118.700 0.084 0.000 2.714 371 N HA -0.173 4.567 4.740 -0.001 0.000 0.252 371 N C -1.116 174.386 175.510 -0.014 0.000 1.014 371 N CA 0.384 53.463 53.050 0.050 0.000 0.735 371 N CB -1.409 37.151 38.487 0.121 0.000 0.924 371 N HN 0.026 nan 8.380 nan 0.000 0.540 372 V N 0.596 120.494 119.914 -0.027 0.000 2.735 372 V HA 0.388 4.507 4.120 -0.001 0.000 0.310 372 V C 0.164 176.178 176.094 -0.133 0.000 1.061 372 V CA -0.686 61.548 62.300 -0.110 0.000 0.913 372 V CB 2.448 34.245 31.823 -0.044 0.000 1.005 372 V HN 0.194 nan 8.190 nan 0.000 0.428 373 Q N 3.023 122.684 119.800 -0.232 0.000 2.363 373 Q HA 0.744 5.084 4.340 -0.001 0.000 0.265 373 Q C -0.780 174.955 176.000 -0.442 0.000 1.032 373 Q CA -0.117 55.522 55.803 -0.274 0.000 0.746 373 Q CB 1.592 30.175 28.738 -0.258 0.000 1.237 373 Q HN 0.995 nan 8.270 nan 0.000 0.475 374 A N 4.296 126.843 122.820 -0.455 0.000 2.337 374 A HA 0.885 5.205 4.320 -0.001 0.000 0.329 374 A C -1.118 175.787 177.584 -1.131 0.000 1.146 374 A CA -0.516 51.070 52.037 -0.751 0.000 0.800 374 A CB 1.128 19.853 19.000 -0.458 0.000 1.220 374 A HN 0.765 nan 8.150 nan 0.000 0.472 375 Q N 1.325 120.361 119.800 -1.274 0.000 2.575 375 Q HA 0.447 4.787 4.340 -0.001 0.000 0.290 375 Q C -1.496 174.078 176.000 -0.710 0.000 0.963 375 Q CA -0.622 54.501 55.803 -1.133 0.000 0.783 375 Q CB 0.714 29.149 28.738 -0.505 0.000 1.467 375 Q HN 0.487 nan 8.270 nan 0.000 0.402 376 F N 0.290 120.167 119.950 -0.123 0.000 2.518 376 F HA 0.582 5.108 4.527 -0.001 0.000 0.359 376 F C 1.244 177.104 175.800 0.099 0.000 1.118 376 F CA 1.021 59.070 58.000 0.083 0.000 1.287 376 F CB 1.099 40.203 39.000 0.175 0.000 1.132 376 F HN 0.733 nan 8.300 nan 0.000 0.587 377 G N 0.633 109.623 108.800 0.317 0.000 2.708 377 G HA2 0.576 4.536 3.960 -0.001 0.000 0.289 377 G HA3 0.576 4.536 3.960 -0.001 0.000 0.289 377 G C -1.103 173.797 174.900 0.000 0.000 1.416 377 G CA -0.790 44.424 45.100 0.189 0.000 0.829 377 G HN 0.651 nan 8.290 nan 0.000 0.480 378 T N -1.620 112.860 114.554 -0.124 0.000 2.910 378 T HA 0.448 4.797 4.350 -0.001 0.000 0.279 378 T C 1.347 175.907 174.700 -0.234 0.000 0.989 378 T CA -0.502 61.492 62.100 -0.176 0.000 0.968 378 T CB 1.389 70.165 68.868 -0.154 0.000 1.135 378 T HN 0.446 nan 8.240 nan 0.000 0.562 379 L N 0.443 121.534 121.223 -0.219 0.000 2.046 379 L HA 0.021 4.361 4.340 -0.001 0.000 0.208 379 L C 2.786 179.636 176.870 -0.034 0.000 1.077 379 L CA 1.925 56.675 54.840 -0.150 0.000 0.747 379 L CB -1.167 40.853 42.059 -0.065 0.000 0.896 379 L HN 0.875 nan 8.230 nan 0.000 0.432 380 Q N -0.097 119.697 119.800 -0.011 0.000 2.124 380 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 380 Q C 2.125 178.063 176.000 -0.102 0.000 0.977 380 Q CA 1.945 57.767 55.803 0.032 0.000 0.850 380 Q CB -0.191 28.539 28.738 -0.014 0.000 0.901 380 Q HN 0.608 nan 8.270 nan 0.000 0.429 381 E N -1.238 118.810 120.200 -0.253 0.000 2.085 381 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 381 E C 1.697 177.849 176.600 -0.747 0.000 0.994 381 E CA 1.233 57.346 56.400 -0.478 0.000 0.801 381 E CB -0.292 29.039 29.700 -0.616 0.000 0.743 381 E HN 0.480 nan 8.360 nan 0.000 0.453 382 Y N 0.472 120.255 120.300 -0.861 0.000 2.070 382 Y HA -0.271 4.279 4.550 -0.001 0.000 0.280 382 Y C 1.878 177.474 175.900 -0.506 0.000 1.148 382 Y CA 1.775 59.398 58.100 -0.796 0.000 1.125 382 Y CB -0.729 37.293 38.460 -0.731 0.000 0.975 382 Y HN -0.017 nan 8.280 nan 0.000 0.492 383 F N 0.696 120.376 119.950 -0.449 0.000 2.126 383 F HA -0.273 4.253 4.527 -0.001 0.000 0.299 383 F C 2.286 177.857 175.800 -0.382 0.000 1.096 383 F CA 1.436 59.162 58.000 -0.457 0.000 1.255 383 F CB -0.421 38.508 39.000 -0.120 0.000 0.997 383 F HN 0.102 nan 8.300 nan 0.000 0.479 384 D N 0.326 120.678 120.400 -0.081 0.000 2.116 384 D HA -0.211 4.428 4.640 -0.001 0.000 0.193 384 D C 2.271 178.495 176.300 -0.127 0.000 0.998 384 D CA 1.561 55.517 54.000 -0.073 0.000 0.836 384 D CB -0.637 40.108 40.800 -0.092 0.000 0.951 384 D HN 0.268 nan 8.370 nan 0.000 0.449 385 A N 0.391 123.077 122.820 -0.223 0.000 1.930 385 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 385 A C 2.542 180.005 177.584 -0.201 0.000 1.175 385 A CA 1.012 52.961 52.037 -0.147 0.000 0.627 385 A CB -0.679 18.314 19.000 -0.012 0.000 0.815 385 A HN 0.144 nan 8.150 nan 0.000 0.443 386 V N -0.119 119.539 119.914 -0.426 0.000 2.295 386 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 386 V C 2.455 178.366 176.094 -0.305 0.000 1.049 386 V CA 2.161 64.197 62.300 -0.440 0.000 1.024 386 V CB -0.962 30.404 31.823 -0.761 0.000 0.648 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.248 118.709 119.070 -0.189 0.000 2.428 387 H HA -0.087 4.469 4.556 -0.001 0.000 0.296 387 H C 2.412 177.706 175.328 -0.057 0.000 1.062 387 H CA 1.428 57.399 56.048 -0.128 0.000 1.350 387 H CB -0.142 29.507 29.762 -0.188 0.000 1.403 387 H HN 0.563 nan 8.280 nan 0.000 0.533 388 Q N 0.384 120.204 119.800 0.033 0.000 2.061 388 Q HA -0.112 4.227 4.340 -0.001 0.000 0.204 388 Q C 2.589 178.603 176.000 0.025 0.000 0.984 388 Q CA 1.408 57.223 55.803 0.020 0.000 0.846 388 Q CB -0.095 28.643 28.738 0.001 0.000 0.902 388 Q HN 0.407 nan 8.270 nan 0.000 0.421 389 A N 1.246 124.075 122.820 0.014 0.000 1.883 389 A HA -0.288 4.031 4.320 -0.001 0.000 0.217 389 A C 1.962 179.569 177.584 0.037 0.000 1.186 389 A CA 1.728 53.786 52.037 0.034 0.000 0.624 389 A CB -0.676 18.346 19.000 0.038 0.000 0.822 389 A HN 0.477 nan 8.150 nan 0.000 0.444 390 E N -0.260 119.973 120.200 0.055 0.000 2.070 390 E HA -0.248 4.101 4.350 -0.001 0.000 0.197 390 E C 2.133 178.760 176.600 0.046 0.000 1.004 390 E CA 1.396 57.832 56.400 0.059 0.000 0.805 390 E CB -0.155 29.683 29.700 0.229 0.000 0.744 390 E HN 0.568 nan 8.360 nan 0.000 0.451 391 R N -0.616 119.918 120.500 0.057 0.000 2.280 391 R HA -0.000 4.339 4.340 -0.001 0.000 0.207 391 R C 1.488 177.803 176.300 0.025 0.000 1.043 391 R CA 0.627 56.749 56.100 0.038 0.000 1.006 391 R CB 0.107 30.427 30.300 0.033 0.000 0.885 391 R HN 0.111 nan 8.270 nan 0.000 0.467 392 A N -0.102 122.734 122.820 0.026 0.000 2.379 392 A HA 0.317 4.636 4.320 -0.001 0.000 0.236 392 A C 1.183 178.777 177.584 0.017 0.000 1.272 392 A CA 0.450 52.501 52.037 0.024 0.000 0.886 392 A CB 0.220 19.241 19.000 0.034 0.000 0.962 392 A HN 0.351 nan 8.150 nan 0.000 0.504 393 G N -0.676 108.128 108.800 0.007 0.000 2.148 393 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.254 393 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.254 393 G C 0.853 175.743 174.900 -0.015 0.000 0.981 393 G CA 0.653 45.749 45.100 -0.007 0.000 0.670 393 G HN 0.542 nan 8.290 nan 0.000 0.528 394 Q N -0.407 119.389 119.800 -0.005 0.000 2.311 394 Q HA 0.472 4.812 4.340 -0.001 0.000 0.203 394 Q C 1.050 177.028 176.000 -0.038 0.000 0.954 394 Q CA 1.415 57.223 55.803 0.009 0.000 0.885 394 Q CB 0.005 28.782 28.738 0.064 0.000 0.963 394 Q HN 1.359 nan 8.270 nan 0.000 0.471 395 A N 1.016 123.765 122.820 -0.118 0.000 2.577 395 A HA 0.392 4.712 4.320 -0.001 0.000 0.297 395 A C -1.569 175.777 177.584 -0.397 0.000 1.060 395 A CA -0.868 51.005 52.037 -0.274 0.000 0.697 395 A CB 1.185 19.958 19.000 -0.378 0.000 1.281 395 A HN 0.267 nan 8.150 nan 0.000 0.402 396 E N 1.652 121.619 120.200 -0.388 0.000 2.222 396 E HA 0.730 5.079 4.350 -0.001 0.000 0.267 396 E C -1.695 174.717 176.600 -0.314 0.000 0.884 396 E CA -0.543 55.679 56.400 -0.298 0.000 0.764 396 E CB 1.609 31.255 29.700 -0.091 0.000 1.169 396 E HN 0.390 nan 8.360 nan 0.000 0.413 397 F N 2.290 122.344 119.950 0.173 0.000 2.422 397 F HA 0.396 4.923 4.527 -0.000 0.000 0.333 397 F C -1.696 174.206 175.800 0.169 0.000 1.095 397 F CA -2.185 55.942 58.000 0.212 0.000 1.038 397 F CB 1.285 40.488 39.000 0.338 0.000 1.156 397 F HN 0.345 nan 8.300 nan 0.000 0.483 398 P HA 0.119 nan 4.420 nan 0.000 0.272 398 P C -0.606 176.838 177.300 0.240 0.000 1.223 398 P CA -0.355 62.880 63.100 0.226 0.000 0.784 398 P CB 0.927 32.732 31.700 0.176 0.000 0.923 399 T N 0.196 114.844 114.554 0.157 0.000 2.909 399 T HA 0.650 4.999 4.350 -0.001 0.000 0.286 399 T C -0.203 174.534 174.700 0.061 0.000 1.002 399 T CA -0.775 61.409 62.100 0.140 0.000 1.074 399 T CB 1.026 69.953 68.868 0.098 0.000 0.984 399 T HN 0.459 nan 8.240 nan 0.000 0.495 400 L N 1.683 122.944 121.223 0.063 0.000 2.445 400 L HA 0.723 5.062 4.340 -0.001 0.000 0.262 400 L C -0.652 176.228 176.870 0.015 0.000 0.974 400 L CA -0.429 54.348 54.840 -0.105 0.000 0.822 400 L CB 2.213 43.979 42.059 -0.489 0.000 1.339 400 L HN 1.111 nan 8.230 nan 0.000 0.409 401 S N 2.396 118.057 115.700 -0.066 0.000 2.627 401 S HA 1.059 5.528 4.470 -0.001 0.000 0.283 401 S C -0.354 174.182 174.600 -0.107 0.000 1.127 401 S CA -0.010 58.205 58.200 0.026 0.000 0.863 401 S CB 2.038 65.212 63.200 -0.043 0.000 1.121 401 S HN 1.736 nan 8.310 nan 0.000 0.479 402 G N 0.999 109.787 108.800 -0.020 0.000 2.343 402 G HA2 0.316 4.275 3.960 -0.001 0.000 0.562 402 G HA3 0.316 4.275 3.960 -0.001 0.000 0.562 402 G C -1.699 173.108 174.900 -0.154 0.000 1.269 402 G CA -0.022 44.967 45.100 -0.185 0.000 1.011 402 G HN 1.281 nan 8.290 nan 0.000 0.498 403 D N -1.658 118.521 120.400 -0.369 0.000 2.654 403 D HA 0.752 5.391 4.640 -0.001 0.000 0.255 403 D C -0.516 175.297 176.300 -0.812 0.000 1.101 403 D CA -1.103 52.705 54.000 -0.321 0.000 1.116 403 D CB 1.119 41.913 40.800 -0.010 0.000 1.348 403 D HN 0.422 nan 8.370 nan 0.000 0.609 404 F N -0.520 119.321 119.950 -0.182 0.000 2.679 404 F HA 0.402 4.928 4.527 -0.001 0.000 0.354 404 F C -0.826 174.810 175.800 -0.274 0.000 1.423 404 F CA -0.676 57.208 58.000 -0.194 0.000 1.141 404 F CB 0.282 39.194 39.000 -0.147 0.000 1.168 404 F HN 0.002 nan 8.300 nan 0.000 0.530 405 F N -0.613 119.522 119.950 0.308 0.000 2.546 405 F HA 0.533 5.059 4.527 -0.001 0.000 0.320 405 F C 0.541 176.615 175.800 0.457 0.000 1.076 405 F CA -1.125 57.128 58.000 0.421 0.000 0.928 405 F CB 1.934 41.171 39.000 0.395 0.000 1.189 405 F HN -0.263 nan 8.300 nan 0.000 0.465 406 T N 1.722 116.678 114.554 0.669 0.000 2.799 406 T HA 0.147 4.497 4.350 -0.001 0.000 0.286 406 T C -0.992 174.183 174.700 0.792 0.000 0.973 406 T CA -0.291 62.259 62.100 0.751 0.000 1.035 406 T CB 0.289 69.461 68.868 0.507 0.000 0.932 406 T HN 0.361 nan 8.240 nan 0.000 0.469 407 Y N 3.117 123.752 120.300 0.557 0.000 2.620 407 Y HA 0.387 4.936 4.550 -0.001 0.000 0.330 407 Y C -0.085 175.859 175.900 0.074 0.000 1.186 407 Y CA -0.993 57.255 58.100 0.247 0.000 1.467 407 Y CB 0.049 38.538 38.460 0.047 0.000 1.262 407 Y HN 0.663 nan 8.280 nan 0.000 0.550 408 A N 5.557 127.923 122.820 -0.757 0.000 2.343 408 A HA 0.336 4.656 4.320 -0.001 0.000 0.308 408 A C 0.161 177.143 177.584 -1.004 0.000 1.092 408 A CA -0.283 51.141 52.037 -1.021 0.000 0.751 408 A CB 0.559 18.689 19.000 -1.451 0.000 1.203 408 A HN 0.813 nan 8.150 nan 0.000 0.452 409 D N 1.958 121.882 120.400 -0.794 0.000 2.333 409 D HA 0.013 4.653 4.640 -0.001 0.000 0.208 409 D C 0.550 176.879 176.300 0.048 0.000 0.984 409 D CA 0.628 54.453 54.000 -0.292 0.000 0.873 409 D CB 0.156 40.893 40.800 -0.105 0.000 0.935 409 D HN 0.736 nan 8.370 nan 0.000 0.521 410 R N -1.400 119.069 120.500 -0.052 0.000 2.709 410 R HA 0.316 4.656 4.340 -0.001 0.000 0.270 410 R C 0.262 176.480 176.300 -0.136 0.000 1.038 410 R CA -0.049 55.874 56.100 -0.295 0.000 0.872 410 R CB 0.560 30.741 30.300 -0.200 0.000 1.259 410 R HN -0.008 nan 8.270 nan 0.000 0.473 411 S N 1.079 116.653 115.700 -0.211 0.000 4.105 411 S HA -0.383 4.086 4.470 -0.001 0.000 0.539 411 S C 0.719 175.414 174.600 0.158 0.000 1.658 411 S CA 1.819 60.032 58.200 0.021 0.000 3.958 411 S CB -1.649 61.544 63.200 -0.012 0.000 1.434 411 S HN 1.051 nan 8.310 nan 0.000 0.537 412 D N 1.590 122.065 120.400 0.124 0.000 2.368 412 D HA 0.170 4.809 4.640 -0.001 0.000 0.218 412 D C -0.076 176.340 176.300 0.193 0.000 1.112 412 D CA -0.232 53.909 54.000 0.235 0.000 0.834 412 D CB -1.536 39.377 40.800 0.188 0.000 0.953 412 D HN 0.660 nan 8.370 nan 0.000 0.505 413 N N 0.933 119.646 118.700 0.021 0.000 2.671 413 N HA 0.034 4.773 4.740 -0.001 0.000 0.274 413 N C -0.941 174.586 175.510 0.028 0.000 1.188 413 N CA -0.225 52.833 53.050 0.014 0.000 1.065 413 N CB 0.077 38.556 38.487 -0.013 0.000 1.415 413 N HN 0.147 nan 8.380 nan 0.000 0.511 414 Y N 0.250 120.628 120.300 0.129 0.000 2.313 414 Y HA 0.125 4.674 4.550 -0.001 0.000 0.332 414 Y C 0.069 176.156 175.900 0.313 0.000 1.071 414 Y CA -0.739 57.503 58.100 0.235 0.000 1.169 414 Y CB 0.588 39.138 38.460 0.150 0.000 1.192 414 Y HN 0.386 nan 8.280 nan 0.000 0.487 415 W N 2.494 123.922 121.300 0.214 0.000 1.694 415 W HA 0.211 4.871 4.660 -0.001 0.000 0.425 415 W C 0.887 177.439 176.519 0.054 0.000 0.615 415 W CA -0.608 56.892 57.345 0.259 0.000 2.237 415 W CB -0.606 29.122 29.460 0.447 0.000 1.478 415 W HN 0.547 nan 8.180 nan 0.000 0.427 416 S N -2.035 113.693 115.700 0.047 0.000 2.535 416 S HA 0.125 4.594 4.470 -0.001 0.000 0.214 416 S C 1.969 176.305 174.600 -0.441 0.000 0.980 416 S CA 0.343 58.217 58.200 -0.543 0.000 0.907 416 S CB 0.123 63.330 63.200 0.011 0.000 0.790 416 S HN 0.339 nan 8.310 nan 0.000 0.510 417 G N 2.055 110.797 108.800 -0.097 0.000 2.418 417 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 417 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 417 G C 1.270 176.163 174.900 -0.012 0.000 1.158 417 G CA 0.922 45.991 45.100 -0.052 0.000 0.771 417 G HN 0.798 nan 8.290 nan 0.000 0.545 418 Y N -0.714 119.566 120.300 -0.033 0.000 2.639 418 Y HA 0.126 4.675 4.550 -0.001 0.000 0.297 418 Y C 2.059 178.087 175.900 0.212 0.000 1.151 418 Y CA 0.176 58.333 58.100 0.095 0.000 1.335 418 Y CB -0.547 38.052 38.460 0.232 0.000 0.994 418 Y HN 0.346 nan 8.280 nan 0.000 0.548 419 Y N 0.366 120.460 120.300 -0.343 0.000 2.483 419 Y HA -0.141 4.408 4.550 -0.001 0.000 0.291 419 Y C 1.601 177.455 175.900 -0.077 0.000 1.143 419 Y CA 0.745 58.675 58.100 -0.283 0.000 1.289 419 Y CB 0.096 38.426 38.460 -0.216 0.000 0.983 419 Y HN 0.266 nan 8.280 nan 0.000 0.556 420 T N -2.307 112.320 114.554 0.121 0.000 2.989 420 T HA 0.040 4.390 4.350 -0.001 0.000 0.250 420 T C 0.645 175.435 174.700 0.150 0.000 0.981 420 T CA -0.150 62.020 62.100 0.117 0.000 0.980 420 T CB 0.065 68.973 68.868 0.066 0.000 1.133 420 T HN -0.082 nan 8.240 nan 0.000 0.489 421 S N 2.528 118.315 115.700 0.145 0.000 2.573 421 S HA 0.145 4.614 4.470 -0.001 0.000 0.297 421 S C 0.402 175.137 174.600 0.225 0.000 1.280 421 S CA 0.043 58.341 58.200 0.162 0.000 1.061 421 S CB 0.035 63.317 63.200 0.136 0.000 0.812 421 S HN 0.407 nan 8.310 nan 0.000 0.500 422 R N 1.091 121.740 120.500 0.248 0.000 3.146 422 R HA -0.125 4.215 4.340 -0.001 0.000 0.250 422 R C -1.991 174.550 176.300 0.402 0.000 0.912 422 R CA 0.687 57.004 56.100 0.360 0.000 0.633 422 R CB -1.729 28.818 30.300 0.412 0.000 1.180 422 R HN 0.508 nan 8.270 nan 0.000 0.464 423 P HA -0.213 nan 4.420 nan 0.000 0.223 423 P C 1.092 178.601 177.300 0.348 0.000 1.151 423 P CA 0.953 64.266 63.100 0.355 0.000 0.787 423 P CB -0.019 31.937 31.700 0.428 0.000 0.788 424 Y N 1.480 121.880 120.300 0.167 0.000 2.128 424 Y HA -0.258 4.291 4.550 -0.001 0.000 0.284 424 Y C 2.285 178.204 175.900 0.031 0.000 1.154 424 Y CA 2.081 60.201 58.100 0.035 0.000 1.149 424 Y CB -0.946 37.404 38.460 -0.183 0.000 0.976 424 Y HN 0.061 nan 8.280 nan 0.000 0.505 425 H N -0.843 118.458 119.070 0.385 0.000 2.470 425 H HA 0.024 4.579 4.556 -0.001 0.000 0.289 425 H C 2.018 177.492 175.328 0.244 0.000 1.033 425 H CA 1.203 57.404 56.048 0.254 0.000 1.331 425 H CB -0.032 29.943 29.762 0.356 0.000 1.414 425 H HN 0.256 nan 8.280 nan 0.000 0.545 426 K N 0.362 120.980 120.400 0.363 0.000 2.057 426 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 426 K C 2.231 178.886 176.600 0.092 0.000 1.049 426 K CA 1.222 57.661 56.287 0.253 0.000 0.931 426 K CB 0.080 32.703 32.500 0.205 0.000 0.714 426 K HN 0.033 nan 8.250 nan 0.000 0.440 427 R N 1.393 121.913 120.500 0.034 0.000 2.075 427 R HA 0.003 4.342 4.340 -0.001 0.000 0.232 427 R C 2.051 178.108 176.300 -0.404 0.000 1.126 427 R CA 1.409 57.458 56.100 -0.084 0.000 0.963 427 R CB -0.421 29.917 30.300 0.064 0.000 0.858 427 R HN 0.157 nan 8.270 nan 0.000 0.435 428 M N 0.297 119.536 119.600 -0.601 0.000 2.149 428 M HA -0.202 4.278 4.480 -0.001 0.000 0.261 428 M C 1.467 177.412 176.300 -0.592 0.000 1.064 428 M CA 2.432 57.121 55.300 -1.020 0.000 1.102 428 M CB -0.336 31.847 32.600 -0.695 0.000 1.369 428 M HN 0.291 nan 8.290 nan 0.000 0.408 429 D N -0.268 119.989 120.400 -0.239 0.000 2.116 429 D HA -0.225 4.415 4.640 -0.001 0.000 0.193 429 D C 1.895 178.114 176.300 -0.136 0.000 0.998 429 D CA 1.540 55.507 54.000 -0.054 0.000 0.836 429 D CB 0.105 41.024 40.800 0.198 0.000 0.951 429 D HN 0.232 nan 8.370 nan 0.000 0.449 430 R N 0.059 120.464 120.500 -0.160 0.000 2.092 430 R HA -0.023 4.316 4.340 -0.001 0.000 0.231 430 R C 2.455 178.643 176.300 -0.186 0.000 1.119 430 R CA 0.487 56.497 56.100 -0.150 0.000 0.970 430 R CB -0.993 29.238 30.300 -0.115 0.000 0.864 430 R HN 0.268 nan 8.270 nan 0.000 0.440 431 V N 1.558 121.265 119.914 -0.346 0.000 2.295 431 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 431 V C 2.374 178.311 176.094 -0.262 0.000 1.049 431 V CA 1.489 63.570 62.300 -0.364 0.000 1.024 431 V CB -0.580 30.723 31.823 -0.866 0.000 0.648 431 V HN 0.133 nan 8.190 nan 0.000 0.447 432 L N -0.379 120.609 121.223 -0.392 0.000 2.083 432 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 432 L C 2.306 179.115 176.870 -0.103 0.000 1.083 432 L CA 2.003 56.682 54.840 -0.268 0.000 0.752 432 L CB -0.692 41.200 42.059 -0.278 0.000 0.899 432 L HN 0.328 nan 8.230 nan 0.000 0.433 433 M N -1.240 118.295 119.600 -0.107 0.000 2.088 433 M HA -0.340 4.139 4.480 -0.001 0.000 0.256 433 M C 2.385 178.654 176.300 -0.051 0.000 1.071 433 M CA 2.480 57.720 55.300 -0.101 0.000 1.097 433 M CB -0.414 32.092 32.600 -0.157 0.000 1.315 433 M HN 0.580 nan 8.290 nan 0.000 0.406 434 H N -0.807 118.224 119.070 -0.065 0.000 2.363 434 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 434 H C 1.496 176.853 175.328 0.048 0.000 1.074 434 H CA 2.290 58.325 56.048 -0.023 0.000 1.354 434 H CB -0.406 29.348 29.762 -0.013 0.000 1.397 434 H HN 0.470 nan 8.280 nan 0.000 0.516 435 Y N -0.193 119.959 120.300 -0.247 0.000 2.181 435 Y HA -0.190 4.359 4.550 -0.001 0.000 0.288 435 Y C 2.765 178.539 175.900 -0.211 0.000 1.146 435 Y CA 1.387 59.339 58.100 -0.247 0.000 1.164 435 Y CB -0.633 37.745 38.460 -0.136 0.000 0.982 435 Y HN 0.115 nan 8.280 nan 0.000 0.515 436 V N 0.245 120.151 119.914 -0.013 0.000 2.261 436 V HA -0.341 3.779 4.120 -0.001 0.000 0.246 436 V C 2.506 178.539 176.094 -0.102 0.000 1.047 436 V CA 2.284 64.545 62.300 -0.065 0.000 1.015 436 V CB -0.673 31.104 31.823 -0.077 0.000 0.642 436 V HN 0.326 nan 8.190 nan 0.000 0.446 437 R N 0.443 120.869 120.500 -0.125 0.000 2.083 437 R HA -0.204 4.136 4.340 -0.001 0.000 0.237 437 R C 2.239 178.475 176.300 -0.107 0.000 1.137 437 R CA 1.993 58.026 56.100 -0.112 0.000 0.951 437 R CB -0.522 29.719 30.300 -0.099 0.000 0.851 437 R HN 0.468 nan 8.270 nan 0.000 0.434 438 A N 0.597 123.293 122.820 -0.208 0.000 1.930 438 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 438 A C 2.372 179.892 177.584 -0.108 0.000 1.175 438 A CA 1.572 53.534 52.037 -0.126 0.000 0.627 438 A CB -0.720 18.103 19.000 -0.295 0.000 0.815 438 A HN 0.585 nan 8.150 nan 0.000 0.443 439 A N -0.087 122.662 122.820 -0.119 0.000 1.873 439 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 439 A C 1.932 179.457 177.584 -0.099 0.000 1.186 439 A CA 1.558 53.538 52.037 -0.096 0.000 0.616 439 A CB -0.571 18.385 19.000 -0.074 0.000 0.823 439 A HN 0.608 nan 8.150 nan 0.000 0.442 440 E N -0.944 119.196 120.200 -0.099 0.000 2.085 440 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 440 E C 2.076 178.603 176.600 -0.121 0.000 0.994 440 E CA 1.492 57.826 56.400 -0.109 0.000 0.801 440 E CB -0.280 29.358 29.700 -0.103 0.000 0.743 440 E HN 0.736 nan 8.360 nan 0.000 0.453 441 M N 0.744 120.293 119.600 -0.085 0.000 2.077 441 M HA -0.170 4.309 4.480 -0.001 0.000 0.261 441 M C 2.236 178.514 176.300 -0.037 0.000 1.070 441 M CA 1.406 56.657 55.300 -0.081 0.000 1.125 441 M CB -0.020 32.625 32.600 0.075 0.000 1.339 441 M HN 0.078 nan 8.290 nan 0.000 0.409 442 L N 0.071 121.322 121.223 0.046 0.000 2.042 442 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 442 L C 2.676 179.680 176.870 0.223 0.000 1.076 442 L CA 1.864 56.778 54.840 0.124 0.000 0.749 442 L CB -0.644 41.331 42.059 -0.140 0.000 0.893 442 L HN 0.523 nan 8.230 nan 0.000 0.432 443 S N -0.852 114.909 115.700 0.101 0.000 2.461 443 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 443 S C 2.041 176.814 174.600 0.288 0.000 1.005 443 S CA 0.462 58.801 58.200 0.232 0.000 0.942 443 S CB -0.158 62.974 63.200 -0.112 0.000 0.776 443 S HN 0.322 nan 8.310 nan 0.000 0.514 444 A N 0.986 123.796 122.820 -0.017 0.000 2.019 444 A HA 0.038 4.357 4.320 -0.001 0.000 0.219 444 A C 1.736 179.199 177.584 -0.202 0.000 1.164 444 A CA 0.943 52.867 52.037 -0.188 0.000 0.644 444 A CB -1.246 17.501 19.000 -0.422 0.000 0.805 444 A HN 0.767 nan 8.150 nan 0.000 0.449 445 W N -0.594 120.689 121.300 -0.027 0.000 2.392 445 W HA -0.056 4.603 4.660 -0.001 0.000 0.279 445 W C 0.927 177.197 176.519 -0.415 0.000 1.225 445 W CA 0.772 58.005 57.345 -0.186 0.000 1.233 445 W CB -0.024 29.306 29.460 -0.217 0.000 1.122 445 W HN 0.287 nan 8.180 nan 0.000 0.561 446 H N -1.507 117.630 119.070 0.112 0.000 2.747 446 H HA 0.265 4.821 4.556 -0.001 0.000 0.371 446 H C -0.360 174.881 175.328 -0.145 0.000 1.161 446 H CA -1.100 54.858 56.048 -0.150 0.000 1.167 446 H CB 1.880 31.335 29.762 -0.513 0.000 1.732 446 H HN -0.406 nan 8.280 nan 0.000 0.544 447 S N 1.167 116.850 115.700 -0.029 0.000 2.549 447 S HA 0.137 4.607 4.470 -0.001 0.000 0.279 447 S C -0.798 173.697 174.600 -0.175 0.000 1.321 447 S CA -0.407 57.781 58.200 -0.019 0.000 1.054 447 S CB 0.172 63.369 63.200 -0.005 0.000 0.899 447 S HN 0.297 nan 8.310 nan 0.000 0.497 448 W N 2.153 123.452 121.300 -0.001 0.000 2.632 448 W HA 0.333 4.993 4.660 -0.001 0.000 0.328 448 W C 0.258 176.736 176.519 -0.069 0.000 1.044 448 W CA -0.807 56.512 57.345 -0.044 0.000 1.225 448 W CB 0.567 29.972 29.460 -0.093 0.000 1.396 448 W HN 0.567 nan 8.180 nan 0.000 0.499 449 D N 1.128 121.606 120.400 0.129 0.000 2.449 449 D HA -0.034 4.606 4.640 -0.001 0.000 0.236 449 D C 1.422 177.727 176.300 0.009 0.000 1.149 449 D CA 1.006 55.048 54.000 0.069 0.000 0.878 449 D CB 1.552 42.421 40.800 0.115 0.000 1.198 449 D HN 0.703 nan 8.370 nan 0.000 0.446 450 G N 3.273 112.086 108.800 0.021 0.000 2.450 450 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.220 450 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.220 450 G C 1.519 176.402 174.900 -0.028 0.000 1.130 450 G CA 0.368 45.469 45.100 0.001 0.000 0.760 450 G HN 0.471 nan 8.290 nan 0.000 0.557 451 M N 1.157 120.754 119.600 -0.005 0.000 2.279 451 M HA 0.029 4.509 4.480 -0.001 0.000 0.264 451 M C 2.824 179.054 176.300 -0.117 0.000 1.062 451 M CA 0.989 56.310 55.300 0.034 0.000 1.099 451 M CB -1.010 31.715 32.600 0.209 0.000 1.394 451 M HN 0.322 nan 8.290 nan 0.000 0.426 452 A N -0.075 122.431 122.820 -0.524 0.000 2.119 452 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 452 A C 1.210 178.589 177.584 -0.341 0.000 1.153 452 A CA 0.472 51.969 52.037 -0.900 0.000 0.692 452 A CB -0.422 17.896 19.000 -1.136 0.000 0.799 452 A HN 0.595 nan 8.150 nan 0.000 0.458 453 R N -1.646 118.733 120.500 -0.202 0.000 3.516 453 R HA -0.183 4.156 4.340 -0.001 0.000 0.271 453 R C 0.634 176.833 176.300 -0.168 0.000 1.098 453 R CA 0.713 56.739 56.100 -0.123 0.000 0.732 453 R CB -2.084 28.180 30.300 -0.059 0.000 1.152 453 R HN 0.477 nan 8.270 nan 0.000 0.455 454 I N 0.440 120.858 120.570 -0.253 0.000 2.193 454 I HA -0.178 3.992 4.170 -0.001 0.000 0.240 454 I C 2.185 178.177 176.117 -0.208 0.000 1.084 454 I CA 1.605 62.704 61.300 -0.335 0.000 1.365 454 I CB -0.674 36.966 38.000 -0.599 0.000 1.064 454 I HN 0.214 nan 8.210 nan 0.000 0.410 455 E N 0.843 120.958 120.200 -0.142 0.000 2.058 455 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 455 E C 2.110 178.663 176.600 -0.079 0.000 0.997 455 E CA 1.459 57.804 56.400 -0.091 0.000 0.801 455 E CB -0.264 29.407 29.700 -0.049 0.000 0.746 455 E HN 0.433 nan 8.360 nan 0.000 0.450 456 E N 0.264 120.423 120.200 -0.069 0.000 2.049 456 E HA -0.288 4.062 4.350 -0.001 0.000 0.198 456 E C 2.030 178.591 176.600 -0.065 0.000 1.007 456 E CA 1.269 57.637 56.400 -0.052 0.000 0.809 456 E CB 0.077 29.753 29.700 -0.039 0.000 0.749 456 E HN -0.026 nan 8.360 nan 0.000 0.450 457 R N 0.240 120.690 120.500 -0.083 0.000 2.075 457 R HA -0.014 4.326 4.340 -0.001 0.000 0.232 457 R C 2.413 178.661 176.300 -0.087 0.000 1.126 457 R CA 0.873 56.926 56.100 -0.079 0.000 0.963 457 R CB -0.529 29.719 30.300 -0.086 0.000 0.858 457 R HN 0.267 nan 8.270 nan 0.000 0.435 458 L N 0.096 121.255 121.223 -0.106 0.000 2.046 458 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 458 L C 2.432 179.239 176.870 -0.106 0.000 1.077 458 L CA 1.727 56.504 54.840 -0.106 0.000 0.747 458 L CB -0.505 41.484 42.059 -0.116 0.000 0.896 458 L HN 0.330 nan 8.230 nan 0.000 0.432 459 E N 0.202 120.342 120.200 -0.100 0.000 2.051 459 E HA -0.321 4.028 4.350 -0.001 0.000 0.192 459 E C 2.210 178.729 176.600 -0.135 0.000 0.991 459 E CA 1.553 57.884 56.400 -0.116 0.000 0.799 459 E CB -0.076 29.575 29.700 -0.082 0.000 0.748 459 E HN 0.452 nan 8.360 nan 0.000 0.449 460 Q N 0.108 119.849 119.800 -0.098 0.000 2.061 460 Q HA -0.235 4.104 4.340 -0.001 0.000 0.204 460 Q C 2.078 178.022 176.000 -0.094 0.000 0.984 460 Q CA 1.879 57.631 55.803 -0.085 0.000 0.846 460 Q CB -0.276 28.428 28.738 -0.055 0.000 0.902 460 Q HN 0.357 nan 8.270 nan 0.000 0.421 461 A N 0.956 123.722 122.820 -0.090 0.000 1.898 461 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 461 A C 2.104 179.621 177.584 -0.111 0.000 1.181 461 A CA 1.400 53.385 52.037 -0.086 0.000 0.620 461 A CB -0.502 18.456 19.000 -0.071 0.000 0.819 461 A HN 0.391 nan 8.150 nan 0.000 0.442 462 R N -0.674 119.740 120.500 -0.143 0.000 2.091 462 R HA -0.114 4.225 4.340 -0.001 0.000 0.238 462 R C 2.468 178.611 176.300 -0.262 0.000 1.136 462 R CA 1.653 57.644 56.100 -0.182 0.000 0.959 462 R CB -0.308 29.873 30.300 -0.198 0.000 0.856 462 R HN 0.500 nan 8.270 nan 0.000 0.437 463 R N 0.337 120.639 120.500 -0.330 0.000 2.075 463 R HA -0.096 4.243 4.340 -0.001 0.000 0.232 463 R C 2.138 178.362 176.300 -0.126 0.000 1.126 463 R CA 1.100 56.934 56.100 -0.443 0.000 0.963 463 R CB -0.062 30.008 30.300 -0.382 0.000 0.858 463 R HN 0.231 nan 8.270 nan 0.000 0.435 464 E N 0.800 120.961 120.200 -0.065 0.000 2.072 464 E HA -0.163 4.186 4.350 -0.001 0.000 0.190 464 E C 2.020 178.643 176.600 0.039 0.000 0.982 464 E CA 0.715 57.122 56.400 0.012 0.000 0.803 464 E CB -0.268 29.427 29.700 -0.008 0.000 0.755 464 E HN 0.146 nan 8.360 nan 0.000 0.453 465 L N 1.351 122.567 121.223 -0.012 0.000 2.046 465 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 465 L C 2.201 179.107 176.870 0.060 0.000 1.077 465 L CA 1.629 56.478 54.840 0.016 0.000 0.747 465 L CB -0.654 41.380 42.059 -0.041 0.000 0.896 465 L HN -0.091 nan 8.230 nan 0.000 0.432 466 S N -0.516 115.190 115.700 0.009 0.000 2.368 466 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 466 S C 1.844 176.578 174.600 0.224 0.000 1.030 466 S CA 1.585 59.824 58.200 0.064 0.000 0.999 466 S CB -0.553 62.582 63.200 -0.108 0.000 0.844 466 S HN 0.459 nan 8.310 nan 0.000 0.459 467 L N 0.626 122.019 121.223 0.284 0.000 2.046 467 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 467 L C 1.901 178.848 176.870 0.128 0.000 1.077 467 L CA 1.628 56.619 54.840 0.252 0.000 0.747 467 L CB -0.629 41.557 42.059 0.211 0.000 0.896 467 L HN 0.280 nan 8.230 nan 0.000 0.432 468 F N -0.100 119.799 119.950 -0.085 0.000 2.408 468 F HA -0.177 4.349 4.527 -0.001 0.000 0.300 468 F C 2.253 177.955 175.800 -0.163 0.000 1.090 468 F CA 1.021 58.864 58.000 -0.261 0.000 1.427 468 F CB -0.270 38.621 39.000 -0.183 0.000 1.070 468 F HN 0.270 nan 8.300 nan 0.000 0.549 469 Q N -0.450 119.292 119.800 -0.097 0.000 2.364 469 Q HA -0.168 4.171 4.340 -0.001 0.000 0.207 469 Q C 0.593 176.518 176.000 -0.125 0.000 0.970 469 Q CA 0.586 56.317 55.803 -0.121 0.000 0.888 469 Q CB -1.339 27.401 28.738 0.003 0.000 0.951 469 Q HN 0.518 nan 8.270 nan 0.000 0.469 470 H N 2.128 121.071 119.070 -0.213 0.000 3.092 470 H HA -0.113 4.442 4.556 -0.001 0.000 0.332 470 H C 1.334 176.489 175.328 -0.288 0.000 1.029 470 H CA 0.674 56.593 56.048 -0.216 0.000 1.376 470 H CB 0.535 30.180 29.762 -0.195 0.000 1.329 470 H HN 0.235 nan 8.280 nan 0.000 0.598 471 H N 2.281 120.918 119.070 -0.723 0.000 2.567 471 H HA -0.036 4.519 4.556 -0.001 0.000 0.276 471 H C -0.289 174.567 175.328 -0.787 0.000 1.016 471 H CA 0.826 56.397 56.048 -0.794 0.000 1.186 471 H CB 0.248 29.539 29.762 -0.786 0.000 1.351 471 H HN 0.628 nan 8.280 nan 0.000 0.605 472 D N 0.333 120.019 120.400 -1.190 0.000 2.469 472 D HA 0.122 4.762 4.640 -0.001 0.000 0.215 472 D C 1.659 177.930 176.300 -0.050 0.000 1.154 472 D CA 0.333 54.167 54.000 -0.278 0.000 0.832 472 D CB 0.762 41.627 40.800 0.107 0.000 1.008 472 D HN 0.514 nan 8.370 nan 0.000 0.506 473 G N 1.390 109.948 108.800 -0.403 0.000 2.558 473 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.218 473 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.218 473 G C 1.368 175.668 174.900 -1.000 0.000 1.567 473 G CA -0.222 44.375 45.100 -0.838 0.000 0.950 473 G HN 0.197 nan 8.290 nan 0.000 0.517 474 I N 1.919 121.574 120.570 -1.524 0.000 2.399 474 I HA -0.223 3.946 4.170 -0.001 0.000 0.254 474 I C 2.953 178.962 176.117 -0.179 0.000 1.146 474 I CA 2.137 62.879 61.300 -0.930 0.000 1.412 474 I CB -0.116 37.523 38.000 -0.600 0.000 1.076 474 I HN 0.408 nan 8.210 nan 0.000 0.432 475 T N -1.380 113.116 114.554 -0.097 0.000 2.929 475 T HA -0.045 4.305 4.350 -0.001 0.000 0.271 475 T C 1.545 176.386 174.700 0.235 0.000 1.085 475 T CA 0.720 62.955 62.100 0.225 0.000 1.125 475 T CB -0.776 68.219 68.868 0.213 0.000 0.874 475 T HN 0.670 nan 8.240 nan 0.000 0.494 476 G N 1.507 110.400 108.800 0.156 0.000 2.246 476 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.273 476 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.273 476 G C 0.504 175.477 174.900 0.122 0.000 1.055 476 G CA 0.668 45.884 45.100 0.193 0.000 0.851 476 G HN 1.191 nan 8.290 nan 0.000 0.500 477 T N -3.638 110.977 114.554 0.102 0.000 3.228 477 T HA 0.735 5.084 4.350 -0.001 0.000 0.278 477 T C 0.901 175.794 174.700 0.322 0.000 1.014 477 T CA 1.009 63.099 62.100 -0.018 0.000 0.904 477 T CB 0.973 69.630 68.868 -0.352 0.000 1.110 477 T HN 1.566 nan 8.240 nan 0.000 0.541 478 A N 1.402 124.438 122.820 0.360 0.000 2.256 478 A HA 0.682 5.001 4.320 -0.001 0.000 0.318 478 A C 0.191 177.906 177.584 0.218 0.000 1.103 478 A CA -0.913 51.386 52.037 0.437 0.000 0.860 478 A CB 0.785 20.065 19.000 0.465 0.000 1.182 478 A HN 0.416 nan 8.150 nan 0.000 0.501 479 K N -0.036 120.430 120.400 0.111 0.000 2.258 479 K HA 0.171 4.491 4.320 -0.001 0.000 0.264 479 K C 1.089 177.712 176.600 0.038 0.000 1.007 479 K CA 0.266 56.584 56.287 0.052 0.000 0.941 479 K CB 0.420 32.940 32.500 0.034 0.000 0.966 479 K HN 0.742 nan 8.250 nan 0.000 0.480 480 T N 1.513 116.114 114.554 0.078 0.000 2.620 480 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 480 T C 1.701 176.438 174.700 0.062 0.000 1.044 480 T CA 1.991 64.138 62.100 0.079 0.000 1.161 480 T CB -0.467 68.455 68.868 0.090 0.000 0.862 480 T HN 0.714 nan 8.240 nan 0.000 0.438 481 H N 0.632 119.702 119.070 -0.000 0.000 2.491 481 H HA 0.079 4.634 4.556 -0.001 0.000 0.290 481 H C 2.032 177.336 175.328 -0.041 0.000 1.050 481 H CA 1.007 57.046 56.048 -0.015 0.000 1.309 481 H CB -0.741 29.008 29.762 -0.021 0.000 1.392 481 H HN 0.295 nan 8.280 nan 0.000 0.554 482 V N 1.175 120.739 119.914 -0.583 0.000 2.407 482 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 482 V C 3.048 178.944 176.094 -0.329 0.000 1.041 482 V CA 1.090 63.074 62.300 -0.526 0.000 1.040 482 V CB -0.441 31.138 31.823 -0.407 0.000 0.671 482 V HN 0.236 nan 8.190 nan 0.000 0.455 483 V N 0.072 119.928 119.914 -0.097 0.000 2.332 483 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 483 V C 2.459 178.521 176.094 -0.053 0.000 1.055 483 V CA 1.979 64.274 62.300 -0.009 0.000 1.038 483 V CB -0.556 31.248 31.823 -0.032 0.000 0.651 483 V HN 0.420 nan 8.190 nan 0.000 0.450 484 V N 0.360 120.259 119.914 -0.025 0.000 2.343 484 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 484 V C 2.309 178.415 176.094 0.020 0.000 1.051 484 V CA 2.377 64.696 62.300 0.032 0.000 1.036 484 V CB -0.699 31.153 31.823 0.048 0.000 0.654 484 V HN 0.625 nan 8.190 nan 0.000 0.451 485 D N -0.801 119.564 120.400 -0.059 0.000 2.104 485 D HA -0.211 4.429 4.640 -0.001 0.000 0.194 485 D C 2.023 178.326 176.300 0.005 0.000 0.994 485 D CA 1.740 55.701 54.000 -0.066 0.000 0.830 485 D CB -0.284 40.412 40.800 -0.173 0.000 0.959 485 D HN 0.581 nan 8.370 nan 0.000 0.452 486 Y N 0.515 120.843 120.300 0.046 0.000 2.165 486 Y HA -0.186 4.364 4.550 -0.001 0.000 0.286 486 Y C 2.608 178.471 175.900 -0.062 0.000 1.155 486 Y CA 1.232 59.353 58.100 0.035 0.000 1.164 486 Y CB -0.178 38.367 38.460 0.141 0.000 0.978 486 Y HN 0.106 nan 8.280 nan 0.000 0.513 487 E N 0.441 120.729 120.200 0.148 0.000 2.051 487 E HA -0.273 4.076 4.350 -0.001 0.000 0.192 487 E C 2.067 178.738 176.600 0.118 0.000 0.991 487 E CA 1.467 57.977 56.400 0.183 0.000 0.799 487 E CB -0.078 29.821 29.700 0.332 0.000 0.748 487 E HN 0.560 nan 8.360 nan 0.000 0.449 488 Q N -0.021 119.837 119.800 0.096 0.000 2.061 488 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 488 Q C 2.377 178.408 176.000 0.051 0.000 0.984 488 Q CA 1.553 57.397 55.803 0.068 0.000 0.846 488 Q CB -0.178 28.592 28.738 0.055 0.000 0.902 488 Q HN 0.226 nan 8.270 nan 0.000 0.421 489 R N 0.036 120.571 120.500 0.057 0.000 2.091 489 R HA -0.092 4.248 4.340 -0.001 0.000 0.238 489 R C 2.291 178.598 176.300 0.012 0.000 1.136 489 R CA 1.473 57.600 56.100 0.045 0.000 0.959 489 R CB -0.173 30.180 30.300 0.088 0.000 0.856 489 R HN 0.312 nan 8.270 nan 0.000 0.437 490 M N -0.220 119.374 119.600 -0.009 0.000 2.200 490 M HA -0.155 4.325 4.480 -0.001 0.000 0.265 490 M C 2.306 178.573 176.300 -0.055 0.000 1.066 490 M CA 1.333 56.588 55.300 -0.074 0.000 1.127 490 M CB -0.094 32.401 32.600 -0.176 0.000 1.379 490 M HN 0.036 nan 8.290 nan 0.000 0.420 491 Q N 0.909 120.712 119.800 0.005 0.000 2.084 491 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 491 Q C 1.753 177.755 176.000 0.004 0.000 0.978 491 Q CA 1.637 57.455 55.803 0.026 0.000 0.844 491 Q CB -0.050 28.727 28.738 0.065 0.000 0.898 491 Q HN 0.325 nan 8.270 nan 0.000 0.426 492 E N -0.219 119.984 120.200 0.004 0.000 2.110 492 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 492 E C 1.837 178.427 176.600 -0.016 0.000 0.988 492 E CA 1.109 57.508 56.400 -0.001 0.000 0.804 492 E CB -0.446 29.256 29.700 0.004 0.000 0.745 492 E HN 0.466 nan 8.360 nan 0.000 0.458 493 A N 1.344 124.144 122.820 -0.033 0.000 1.877 493 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 493 A C 2.416 179.969 177.584 -0.051 0.000 1.186 493 A CA 1.123 53.131 52.037 -0.049 0.000 0.620 493 A CB -0.777 18.182 19.000 -0.069 0.000 0.822 493 A HN 0.179 nan 8.150 nan 0.000 0.443 494 L N -0.607 120.565 121.223 -0.085 0.000 1.990 494 L HA -0.266 4.073 4.340 -0.001 0.000 0.213 494 L C 2.662 179.536 176.870 0.006 0.000 1.072 494 L CA 2.040 56.813 54.840 -0.113 0.000 0.755 494 L CB -0.507 41.430 42.059 -0.203 0.000 0.889 494 L HN 0.380 nan 8.230 nan 0.000 0.432 495 K N -0.192 120.214 120.400 0.009 0.000 2.063 495 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 495 K C 2.204 178.823 176.600 0.031 0.000 1.048 495 K CA 1.453 57.758 56.287 0.031 0.000 0.928 495 K CB -0.308 32.203 32.500 0.018 0.000 0.713 495 K HN 0.327 nan 8.250 nan 0.000 0.442 496 A N 1.085 123.911 122.820 0.010 0.000 1.877 496 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 496 A C 2.454 180.041 177.584 0.005 0.000 1.186 496 A CA 1.597 53.632 52.037 -0.004 0.000 0.620 496 A CB -0.995 17.990 19.000 -0.026 0.000 0.822 496 A HN 0.423 nan 8.150 nan 0.000 0.443 497 C N -1.070 118.250 119.300 0.034 0.000 2.429 497 C HA -0.111 4.349 4.460 -0.001 0.000 0.277 497 C C 2.864 177.912 174.990 0.097 0.000 1.262 497 C CA 1.220 60.276 59.018 0.063 0.000 1.733 497 C CB -1.266 26.559 27.740 0.142 0.000 2.010 497 C HN 0.795 nan 8.230 nan 0.000 0.483 498 Q N 0.329 120.220 119.800 0.150 0.000 2.077 498 Q HA -0.302 4.037 4.340 -0.001 0.000 0.206 498 Q C 2.166 178.246 176.000 0.133 0.000 0.989 498 Q CA 2.235 58.131 55.803 0.154 0.000 0.853 498 Q CB -0.295 28.536 28.738 0.156 0.000 0.907 498 Q HN 0.582 nan 8.270 nan 0.000 0.418 499 M N -0.092 119.557 119.600 0.083 0.000 2.080 499 M HA -0.148 4.331 4.480 -0.001 0.000 0.260 499 M C 1.889 178.214 176.300 0.042 0.000 1.068 499 M CA 1.631 56.971 55.300 0.067 0.000 1.109 499 M CB -0.543 32.075 32.600 0.030 0.000 1.342 499 M HN 0.150 nan 8.290 nan 0.000 0.405 500 V N 0.246 120.144 119.914 -0.026 0.000 2.295 500 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 500 V C 2.453 178.505 176.094 -0.070 0.000 1.049 500 V CA 2.263 64.486 62.300 -0.128 0.000 1.024 500 V CB -0.727 30.994 31.823 -0.171 0.000 0.648 500 V HN 0.566 nan 8.190 nan 0.000 0.447 501 M N 0.264 119.874 119.600 0.016 0.000 2.065 501 M HA -0.296 4.184 4.480 -0.001 0.000 0.259 501 M C 2.430 178.769 176.300 0.065 0.000 1.069 501 M CA 2.632 57.974 55.300 0.070 0.000 1.110 501 M CB -0.563 32.166 32.600 0.215 0.000 1.328 501 M HN 0.557 nan 8.290 nan 0.000 0.405 502 Q N -0.111 119.827 119.800 0.229 0.000 2.119 502 Q HA -0.157 4.183 4.340 -0.001 0.000 0.201 502 Q C 1.804 177.982 176.000 0.296 0.000 0.972 502 Q CA 1.269 57.223 55.803 0.252 0.000 0.847 502 Q CB -0.661 28.353 28.738 0.460 0.000 0.903 502 Q HN 0.443 nan 8.270 nan 0.000 0.433 503 Q N 0.587 120.559 119.800 0.288 0.000 2.084 503 Q HA -0.085 4.255 4.340 -0.001 0.000 0.202 503 Q C 2.318 178.569 176.000 0.419 0.000 0.978 503 Q CA 1.750 57.797 55.803 0.406 0.000 0.844 503 Q CB -0.283 28.616 28.738 0.268 0.000 0.898 503 Q HN 0.513 nan 8.270 nan 0.000 0.426 504 S N 0.429 116.257 115.700 0.212 0.000 2.356 504 S HA -0.095 4.374 4.470 -0.001 0.000 0.223 504 S C 2.239 176.851 174.600 0.020 0.000 1.032 504 S CA 1.113 59.467 58.200 0.256 0.000 1.005 504 S CB -0.245 63.022 63.200 0.112 0.000 0.867 504 S HN 0.136 nan 8.310 nan 0.000 0.449 505 V N 0.870 120.666 119.914 -0.197 0.000 2.287 505 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 505 V C 2.013 178.043 176.094 -0.107 0.000 1.053 505 V CA 1.965 64.017 62.300 -0.414 0.000 1.027 505 V CB -0.821 30.347 31.823 -1.091 0.000 0.646 505 V HN 0.543 nan 8.190 nan 0.000 0.447 506 Y N 1.301 121.617 120.300 0.027 0.000 2.165 506 Y HA -0.283 4.266 4.550 -0.001 0.000 0.286 506 Y C 2.758 178.720 175.900 0.103 0.000 1.155 506 Y CA 2.310 60.525 58.100 0.193 0.000 1.164 506 Y CB -0.381 38.133 38.460 0.090 0.000 0.978 506 Y HN 0.103 nan 8.280 nan 0.000 0.513 507 R N -0.164 120.223 120.500 -0.187 0.000 2.092 507 R HA -0.095 4.244 4.340 -0.001 0.000 0.231 507 R C 2.131 178.102 176.300 -0.549 0.000 1.119 507 R CA 1.592 57.239 56.100 -0.754 0.000 0.970 507 R CB -0.371 29.569 30.300 -0.600 0.000 0.864 507 R HN 0.457 nan 8.270 nan 0.000 0.440 508 L N 0.298 121.325 121.223 -0.328 0.000 2.376 508 L HA -0.029 4.310 4.340 -0.001 0.000 0.219 508 L C 1.325 178.050 176.870 -0.241 0.000 1.133 508 L CA 0.671 55.266 54.840 -0.408 0.000 0.816 508 L CB 0.177 41.794 42.059 -0.736 0.000 0.933 508 L HN 0.238 nan 8.230 nan 0.000 0.449 509 L N -1.417 119.766 121.223 -0.066 0.000 3.122 509 L HA 0.226 4.565 4.340 -0.001 0.000 0.274 509 L C -0.176 176.770 176.870 0.126 0.000 1.222 509 L CA -0.089 54.817 54.840 0.109 0.000 1.028 509 L CB 0.665 42.939 42.059 0.359 0.000 1.386 509 L HN -0.032 nan 8.230 nan 0.000 0.578 510 T N 0.332 114.875 114.554 -0.018 0.000 2.807 510 T HA 0.178 4.527 4.350 -0.001 0.000 0.279 510 T C -0.079 174.553 174.700 -0.115 0.000 0.993 510 T CA -0.528 61.548 62.100 -0.040 0.000 0.970 510 T CB 2.261 71.055 68.868 -0.124 0.000 0.950 510 T HN 0.018 nan 8.240 nan 0.000 0.441 511 K N 4.183 124.530 120.400 -0.088 0.000 2.473 511 K HA -0.037 4.282 4.320 -0.001 0.000 0.277 511 K C -1.682 174.887 176.600 -0.052 0.000 1.052 511 K CA -1.005 55.238 56.287 -0.073 0.000 1.114 511 K CB 0.427 32.890 32.500 -0.062 0.000 0.869 511 K HN 0.185 nan 8.250 nan 0.000 0.481 512 P HA -0.214 nan 4.420 nan 0.000 0.216 512 P C 0.841 178.148 177.300 0.012 0.000 1.150 512 P CA 1.540 64.608 63.100 -0.053 0.000 0.843 512 P CB 0.128 31.785 31.700 -0.072 0.000 0.787 513 S N -2.149 113.549 115.700 -0.002 0.000 2.561 513 S HA 0.033 4.503 4.470 -0.001 0.000 0.225 513 S C 1.728 176.335 174.600 0.011 0.000 0.977 513 S CA 0.550 58.752 58.200 0.004 0.000 0.926 513 S CB -1.127 62.068 63.200 -0.008 0.000 0.769 513 S HN 0.109 nan 8.310 nan 0.000 0.533 514 I N -0.684 119.900 120.570 0.023 0.000 3.339 514 I HA 0.190 4.360 4.170 -0.001 0.000 0.285 514 I C 0.614 176.769 176.117 0.064 0.000 1.201 514 I CA -0.328 60.992 61.300 0.035 0.000 1.434 514 I CB -0.077 37.941 38.000 0.031 0.000 1.152 514 I HN 0.258 nan 8.210 nan 0.000 0.443 515 Y N 2.758 123.002 120.300 -0.093 0.000 2.804 515 Y HA -0.049 4.501 4.550 -0.001 0.000 0.338 515 Y C 0.475 176.339 175.900 -0.061 0.000 1.252 515 Y CA 0.002 58.002 58.100 -0.166 0.000 1.576 515 Y CB 0.354 38.648 38.460 -0.277 0.000 1.223 515 Y HN -0.131 nan 8.280 nan 0.000 0.536 516 S N 8.944 124.415 115.700 -0.380 0.000 2.112 516 S HA 0.350 4.820 4.470 -0.001 0.000 0.151 516 S C -2.832 171.563 174.600 -0.342 0.000 1.723 516 S CA -1.294 56.705 58.200 -0.335 0.000 1.263 516 S CB -0.114 63.019 63.200 -0.112 0.000 1.194 516 S HN 0.633 nan 8.310 nan 0.000 0.419 517 P HA 0.269 nan 4.420 nan 0.000 0.276 517 P C -1.024 176.007 177.300 -0.449 0.000 1.235 517 P CA -0.132 62.711 63.100 -0.428 0.000 0.772 517 P CB 0.788 32.152 31.700 -0.560 0.000 0.871 518 D N 2.719 123.059 120.400 -0.101 0.000 2.412 518 D HA 0.150 4.789 4.640 -0.001 0.000 0.224 518 D C 0.283 176.635 176.300 0.086 0.000 1.093 518 D CA -0.705 53.221 54.000 -0.123 0.000 0.850 518 D CB 0.077 40.829 40.800 -0.080 0.000 1.046 518 D HN 0.054 nan 8.370 nan 0.000 0.507 519 F N 1.628 121.705 119.950 0.211 0.000 2.722 519 F HA -0.038 4.488 4.527 -0.001 0.000 0.298 519 F C 2.368 178.259 175.800 0.151 0.000 1.175 519 F CA 0.545 58.673 58.000 0.214 0.000 1.462 519 F CB -0.435 38.669 39.000 0.173 0.000 1.111 519 F HN 0.382 nan 8.300 nan 0.000 0.592 520 S N -1.874 113.985 115.700 0.265 0.000 2.539 520 S HA 0.135 4.604 4.470 -0.001 0.000 0.221 520 S C 0.261 174.917 174.600 0.094 0.000 0.987 520 S CA -0.450 57.844 58.200 0.156 0.000 0.929 520 S CB -0.648 62.621 63.200 0.114 0.000 0.832 520 S HN 0.093 nan 8.310 nan 0.000 0.492 521 F N 2.718 122.616 119.950 -0.086 0.000 2.375 521 F HA 0.590 5.116 4.527 -0.001 0.000 0.333 521 F C 0.052 175.642 175.800 -0.350 0.000 1.104 521 F CA -0.546 57.267 58.000 -0.311 0.000 1.149 521 F CB 1.596 40.247 39.000 -0.582 0.000 1.190 521 F HN -0.044 nan 8.300 nan 0.000 0.533 522 S N 5.953 121.042 115.700 -1.019 0.000 2.592 522 S HA 0.146 4.616 4.470 -0.001 0.000 0.305 522 S C 0.438 174.577 174.600 -0.769 0.000 1.118 522 S CA -0.350 57.466 58.200 -0.640 0.000 1.075 522 S CB -0.231 62.684 63.200 -0.474 0.000 1.107 522 S HN 0.674 nan 8.310 nan 0.000 0.503 523 Y N 1.631 121.795 120.300 -0.226 0.000 2.242 523 Y HA 0.102 4.651 4.550 -0.001 0.000 0.291 523 Y C 0.399 175.822 175.900 -0.794 0.000 1.137 523 Y CA 0.827 58.656 58.100 -0.451 0.000 1.181 523 Y CB 0.127 38.358 38.460 -0.382 0.000 0.989 523 Y HN 0.482 nan 8.280 nan 0.000 0.527 524 F N -1.042 118.906 119.950 -0.003 0.000 2.576 524 F HA 0.419 4.946 4.527 -0.001 0.000 0.313 524 F C -0.036 175.819 175.800 0.092 0.000 1.078 524 F CA -1.535 56.516 58.000 0.084 0.000 0.921 524 F CB 1.617 40.796 39.000 0.299 0.000 1.232 524 F HN -0.394 nan 8.300 nan 0.000 0.459 525 T N 0.722 115.438 114.554 0.270 0.000 2.824 525 T HA 0.672 5.022 4.350 -0.001 0.000 0.280 525 T C -0.465 174.347 174.700 0.186 0.000 0.995 525 T CA -0.788 61.417 62.100 0.174 0.000 1.009 525 T CB 1.052 69.964 68.868 0.074 0.000 0.955 525 T HN 0.510 nan 8.240 nan 0.000 0.452 526 L N 2.157 123.421 121.223 0.068 0.000 2.439 526 L HA 0.363 4.703 4.340 -0.001 0.000 0.269 526 L C 0.155 177.010 176.870 -0.026 0.000 1.179 526 L CA -0.118 54.651 54.840 -0.118 0.000 0.828 526 L CB 0.617 42.591 42.059 -0.141 0.000 1.106 526 L HN 0.829 nan 8.230 nan 0.000 0.467 527 D N 1.543 121.898 120.400 -0.074 0.000 2.469 527 D HA 0.168 4.808 4.640 -0.001 0.000 0.251 527 D C -1.209 175.005 176.300 -0.143 0.000 1.173 527 D CA -0.414 53.545 54.000 -0.068 0.000 0.882 527 D CB 0.912 41.704 40.800 -0.014 0.000 1.129 527 D HN 0.254 nan 8.370 nan 0.000 0.549 528 D N 2.436 122.788 120.400 -0.079 0.000 2.414 528 D HA 0.189 4.828 4.640 -0.001 0.000 0.232 528 D C 0.292 176.539 176.300 -0.087 0.000 1.070 528 D CA -0.394 53.586 54.000 -0.034 0.000 0.839 528 D CB 1.795 42.686 40.800 0.151 0.000 1.079 528 D HN 0.228 nan 8.370 nan 0.000 0.521 529 S N 2.746 118.362 115.700 -0.140 0.000 2.481 529 S HA -0.004 4.466 4.470 -0.001 0.000 0.231 529 S C 1.387 175.942 174.600 -0.075 0.000 0.996 529 S CA 0.682 58.787 58.200 -0.158 0.000 0.942 529 S CB 0.348 63.440 63.200 -0.179 0.000 0.768 529 S HN 0.501 nan 8.310 nan 0.000 0.520 530 R N -0.851 119.641 120.500 -0.013 0.000 2.535 530 R HA 0.212 4.551 4.340 -0.001 0.000 0.323 530 R C -0.658 175.721 176.300 0.130 0.000 0.979 530 R CA -0.113 56.005 56.100 0.030 0.000 1.120 530 R CB 0.803 31.117 30.300 0.024 0.000 1.306 530 R HN 0.324 nan 8.270 nan 0.000 0.540 531 W N 1.444 122.697 121.300 -0.078 0.000 3.211 531 W HA 0.296 4.955 4.660 -0.001 0.000 0.335 531 W C -2.877 173.597 176.519 -0.075 0.000 1.113 531 W CA -2.039 55.248 57.345 -0.097 0.000 1.235 531 W CB 1.784 31.170 29.460 -0.123 0.000 1.365 531 W HN -0.181 nan 8.180 nan 0.000 0.476 532 P HA 0.101 nan 4.420 nan 0.000 0.226 532 P C 0.331 177.280 177.300 -0.585 0.000 1.153 532 P CA 1.597 63.873 63.100 -1.373 0.000 0.777 532 P CB 0.285 31.393 31.700 -0.987 0.000 0.794 533 G N -1.005 107.617 108.800 -0.297 0.000 2.640 533 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.686 533 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.686 533 G C -0.463 174.376 174.900 -0.101 0.000 1.229 533 G CA -0.505 44.509 45.100 -0.144 0.000 0.796 533 G HN 0.087 nan 8.290 nan 0.000 0.654 534 S N 0.311 115.991 115.700 -0.034 0.000 2.575 534 S HA 0.497 4.967 4.470 -0.001 0.000 0.295 534 S C 1.886 176.481 174.600 -0.007 0.000 1.267 534 S CA 2.147 60.357 58.200 0.017 0.000 1.074 534 S CB 0.094 63.342 63.200 0.080 0.000 0.829 534 S HN 2.713 nan 8.310 nan 0.000 0.497 535 G N 2.846 111.638 108.800 -0.015 0.000 2.199 535 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.254 535 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.254 535 G C 0.613 175.480 174.900 -0.055 0.000 0.982 535 G CA 0.311 45.392 45.100 -0.032 0.000 0.632 535 G HN 0.952 nan 8.290 nan 0.000 0.529 536 V N -0.413 119.452 119.914 -0.081 0.000 2.788 536 V HA 0.466 4.585 4.120 -0.001 0.000 0.241 536 V C 0.762 176.786 176.094 -0.116 0.000 1.083 536 V CA 1.823 64.058 62.300 -0.108 0.000 1.103 536 V CB 0.877 32.601 31.823 -0.164 0.000 0.800 536 V HN 0.529 nan 8.190 nan 0.000 0.476 537 E N -0.136 119.994 120.200 -0.118 0.000 2.388 537 E HA 0.235 4.585 4.350 -0.001 0.000 0.289 537 E C -1.985 174.578 176.600 -0.062 0.000 0.944 537 E CA -0.584 55.757 56.400 -0.099 0.000 0.792 537 E CB 1.668 31.280 29.700 -0.146 0.000 1.239 537 E HN 0.175 nan 8.360 nan 0.000 0.412 538 D N 2.116 122.500 120.400 -0.026 0.000 2.374 538 D HA 0.137 4.777 4.640 -0.001 0.000 0.240 538 D C 0.441 176.741 176.300 -0.000 0.000 1.229 538 D CA 0.502 54.507 54.000 0.009 0.000 0.895 538 D CB 1.059 41.870 40.800 0.019 0.000 1.046 538 D HN 0.366 nan 8.370 nan 0.000 0.498 539 S N 1.889 117.587 115.700 -0.003 0.000 2.631 539 S HA 0.130 4.599 4.470 -0.001 0.000 0.246 539 S C 0.822 175.429 174.600 0.011 0.000 1.068 539 S CA -0.493 57.702 58.200 -0.009 0.000 0.995 539 S CB 0.478 63.653 63.200 -0.042 0.000 0.944 539 S HN 0.187 nan 8.310 nan 0.000 0.529 540 R N 3.237 123.747 120.500 0.016 0.000 2.442 540 R HA 0.334 4.673 4.340 -0.001 0.000 0.291 540 R C 0.089 176.443 176.300 0.091 0.000 1.069 540 R CA 0.460 56.562 56.100 0.003 0.000 1.022 540 R CB 0.455 30.663 30.300 -0.153 0.000 0.976 540 R HN 0.529 nan 8.270 nan 0.000 0.443 541 T N -0.414 114.191 114.554 0.086 0.000 2.897 541 T HA 0.143 4.492 4.350 -0.001 0.000 0.294 541 T C 0.356 175.171 174.700 0.191 0.000 1.004 541 T CA -0.716 61.455 62.100 0.119 0.000 1.106 541 T CB 1.334 70.258 68.868 0.093 0.000 0.949 541 T HN 0.344 nan 8.240 nan 0.000 0.520 542 T N 3.819 118.489 114.554 0.193 0.000 2.832 542 T HA 0.340 4.690 4.350 -0.001 0.000 0.296 542 T C 0.565 175.374 174.700 0.182 0.000 0.968 542 T CA -0.467 61.767 62.100 0.223 0.000 1.107 542 T CB 0.073 69.030 68.868 0.148 0.000 0.916 542 T HN 0.565 nan 8.240 nan 0.000 0.517 543 I N 4.237 124.935 120.570 0.214 0.000 2.494 543 I HA 0.158 4.328 4.170 -0.001 0.000 0.289 543 I C 0.320 176.526 176.117 0.147 0.000 1.106 543 I CA 0.067 61.470 61.300 0.172 0.000 1.369 543 I CB 0.170 38.275 38.000 0.174 0.000 1.410 543 I HN 0.443 nan 8.210 nan 0.000 0.523 544 I N 8.216 128.857 120.570 0.118 0.000 2.291 544 I HA 0.305 4.475 4.170 -0.001 0.000 0.290 544 I C -0.138 176.039 176.117 0.101 0.000 1.050 544 I CA -0.217 61.145 61.300 0.102 0.000 1.245 544 I CB 0.397 38.444 38.000 0.079 0.000 1.405 544 I HN 0.406 nan 8.210 nan 0.000 0.478 545 L N 5.677 126.964 121.223 0.106 0.000 2.319 545 L HA 0.957 5.296 4.340 -0.001 0.000 0.267 545 L C 0.173 177.100 176.870 0.094 0.000 1.011 545 L CA -0.697 54.204 54.840 0.103 0.000 0.818 545 L CB 2.192 44.318 42.059 0.112 0.000 1.316 545 L HN 0.668 nan 8.230 nan 0.000 0.432 546 G N -0.169 108.683 108.800 0.086 0.000 2.498 546 G HA2 0.131 4.091 3.960 -0.001 0.000 0.301 546 G HA3 0.131 4.091 3.960 -0.001 0.000 0.301 546 G C -0.206 174.736 174.900 0.069 0.000 1.577 546 G CA -0.462 44.686 45.100 0.079 0.000 0.868 546 G HN 0.692 nan 8.290 nan 0.000 0.599 547 E N 0.157 120.396 120.200 0.064 0.000 2.114 547 E HA -0.198 4.152 4.350 -0.001 0.000 0.199 547 E C 1.056 177.684 176.600 0.047 0.000 1.008 547 E CA 1.760 58.192 56.400 0.053 0.000 0.810 547 E CB 0.150 29.876 29.700 0.044 0.000 0.739 547 E HN 0.469 nan 8.360 nan 0.000 0.456 548 D N -0.422 120.005 120.400 0.046 0.000 2.340 548 D HA 0.048 4.688 4.640 -0.001 0.000 0.220 548 D C 1.404 177.729 176.300 0.042 0.000 1.039 548 D CA 0.302 54.326 54.000 0.040 0.000 0.866 548 D CB 0.654 41.475 40.800 0.035 0.000 0.913 548 D HN 0.333 nan 8.370 nan 0.000 0.523 549 I N -0.787 119.813 120.570 0.050 0.000 4.193 549 I HA 0.104 4.273 4.170 -0.001 0.000 0.287 549 I C -1.180 174.973 176.117 0.060 0.000 1.175 549 I CA 0.098 61.429 61.300 0.051 0.000 1.320 549 I CB 1.257 39.288 38.000 0.052 0.000 1.523 549 I HN -0.189 nan 8.210 nan 0.000 0.450 550 L N 2.007 123.272 121.223 0.069 0.000 2.830 550 L HA 0.442 4.781 4.340 -0.001 0.000 0.259 550 L C -2.550 174.372 176.870 0.087 0.000 0.943 550 L CA -0.888 54.002 54.840 0.082 0.000 0.997 550 L CB 1.505 43.620 42.059 0.092 0.000 1.427 550 L HN -0.181 nan 8.230 nan 0.000 0.456 551 P HA 0.067 nan 4.420 nan 0.000 0.222 551 P C -0.138 177.219 177.300 0.094 0.000 1.153 551 P CA 0.883 64.032 63.100 0.083 0.000 0.798 551 P CB 0.341 32.083 31.700 0.070 0.000 0.796 552 S N -2.092 113.676 115.700 0.113 0.000 2.607 552 S HA 0.730 5.200 4.470 -0.001 0.000 0.273 552 S C -1.222 173.485 174.600 0.178 0.000 1.148 552 S CA -0.720 57.556 58.200 0.127 0.000 0.833 552 S CB 2.559 65.831 63.200 0.119 0.000 1.130 552 S HN -0.133 nan 8.310 nan 0.000 0.470 553 K N 0.724 121.235 120.400 0.186 0.000 2.513 553 K HA 0.548 4.867 4.320 -0.001 0.000 0.251 553 K C -1.952 174.821 176.600 0.287 0.000 0.939 553 K CA -0.255 56.186 56.287 0.256 0.000 0.793 553 K CB 0.941 33.551 32.500 0.183 0.000 1.241 553 K HN 0.836 nan 8.250 nan 0.000 0.431 554 H N 1.116 120.340 119.070 0.257 0.000 2.646 554 H HA 0.397 4.952 4.556 -0.001 0.000 0.325 554 H C -0.167 175.397 175.328 0.393 0.000 1.075 554 H CA -0.034 56.213 56.048 0.331 0.000 1.421 554 H CB 0.906 30.955 29.762 0.478 0.000 1.461 554 H HN 0.408 nan 8.280 nan 0.000 0.525 555 V N 1.255 121.411 119.914 0.404 0.000 2.960 555 V HA 0.781 4.901 4.120 -0.001 0.000 0.315 555 V C -0.628 175.797 176.094 0.553 0.000 1.087 555 V CA -0.890 61.658 62.300 0.413 0.000 0.982 555 V CB 2.159 33.972 31.823 -0.016 0.000 1.039 555 V HN 0.445 nan 8.190 nan 0.000 0.437 556 V N 3.391 123.654 119.914 0.581 0.000 2.638 556 V HA 0.599 4.719 4.120 -0.001 0.000 0.306 556 V C -0.465 175.969 176.094 0.567 0.000 1.052 556 V CA -0.372 62.226 62.300 0.498 0.000 0.885 556 V CB 1.809 33.771 31.823 0.231 0.000 0.999 556 V HN 0.937 nan 8.190 nan 0.000 0.424 557 M N 4.271 124.177 119.600 0.510 0.000 2.300 557 M HA 0.470 4.949 4.480 -0.001 0.000 0.348 557 M C -0.430 176.112 176.300 0.405 0.000 1.151 557 M CA -0.187 55.382 55.300 0.449 0.000 1.046 557 M CB 0.992 33.818 32.600 0.376 0.000 1.647 557 M HN 0.739 nan 8.290 nan 0.000 0.451 558 H N 2.120 121.378 119.070 0.314 0.000 2.472 558 H HA 0.466 5.021 4.556 -0.001 0.000 0.338 558 H C -1.271 174.163 175.328 0.176 0.000 1.133 558 H CA -0.559 55.635 56.048 0.242 0.000 1.216 558 H CB 1.140 31.091 29.762 0.315 0.000 1.497 558 H HN 0.653 nan 8.280 nan 0.000 0.500 559 N N 3.200 121.639 118.700 -0.436 0.000 2.626 559 N HA 0.031 4.770 4.740 -0.001 0.000 0.249 559 N C 0.358 175.550 175.510 -0.530 0.000 1.021 559 N CA -0.319 52.506 53.050 -0.375 0.000 0.886 559 N CB 1.456 39.838 38.487 -0.175 0.000 1.149 559 N HN 0.633 nan 8.380 nan 0.000 0.517 560 T N 2.730 116.997 114.554 -0.478 0.000 3.007 560 T HA 0.122 4.471 4.350 -0.001 0.000 0.270 560 T C 0.684 175.352 174.700 -0.053 0.000 1.107 560 T CA 0.587 62.587 62.100 -0.165 0.000 1.118 560 T CB -0.264 68.648 68.868 0.074 0.000 0.889 560 T HN 0.423 nan 8.240 nan 0.000 0.506 561 L N 2.785 123.924 121.223 -0.140 0.000 2.397 561 L HA 0.294 4.634 4.340 -0.001 0.000 0.271 561 L C -1.609 175.130 176.870 -0.218 0.000 1.148 561 L CA -1.882 52.841 54.840 -0.195 0.000 0.825 561 L CB 0.666 42.481 42.059 -0.407 0.000 1.117 561 L HN -0.036 nan 8.230 nan 0.000 0.456 562 P HA 0.045 nan 4.420 nan 0.000 0.243 562 P C -0.921 176.417 177.300 0.064 0.000 1.668 562 P CA 0.357 63.463 63.100 0.010 0.000 0.898 562 P CB -0.374 31.386 31.700 0.100 0.000 1.637 563 H N -3.294 115.802 119.070 0.043 0.000 3.016 563 H HA 0.236 4.791 4.556 -0.001 0.000 0.362 563 H C -1.037 174.323 175.328 0.054 0.000 1.233 563 H CA -1.092 55.000 56.048 0.073 0.000 1.124 563 H CB -0.017 29.817 29.762 0.120 0.000 1.850 563 H HN -0.135 nan 8.280 nan 0.000 0.549 564 W N 1.754 123.171 121.300 0.194 0.000 2.314 564 W HA 0.188 4.847 4.660 -0.001 0.000 0.339 564 W C 0.910 177.536 176.519 0.178 0.000 1.293 564 W CA 0.471 57.895 57.345 0.132 0.000 1.288 564 W CB 0.409 29.934 29.460 0.109 0.000 1.186 564 W HN 0.499 nan 8.180 nan 0.000 0.566 565 R N 2.510 123.214 120.500 0.340 0.000 2.574 565 R HA 0.283 4.623 4.340 -0.001 0.000 0.288 565 R C -1.060 175.375 176.300 0.224 0.000 1.004 565 R CA -0.668 55.582 56.100 0.250 0.000 0.895 565 R CB 1.335 31.704 30.300 0.115 0.000 1.191 565 R HN 0.482 nan 8.270 nan 0.000 0.444 566 E N 2.686 122.996 120.200 0.184 0.000 2.179 566 E HA 0.223 4.572 4.350 -0.001 0.000 0.275 566 E C -1.197 175.453 176.600 0.083 0.000 0.945 566 E CA -0.690 55.795 56.400 0.140 0.000 0.792 566 E CB 2.308 32.084 29.700 0.127 0.000 1.125 566 E HN 0.401 nan 8.360 nan 0.000 0.397 567 Q N 3.298 123.126 119.800 0.046 0.000 2.353 567 Q HA 0.275 4.615 4.340 -0.001 0.000 0.275 567 Q C -1.426 174.536 176.000 -0.064 0.000 1.029 567 Q CA -0.670 55.129 55.803 -0.006 0.000 0.848 567 Q CB 1.490 30.216 28.738 -0.021 0.000 1.390 567 Q HN 0.549 nan 8.270 nan 0.000 0.401 568 L N 3.255 124.432 121.223 -0.076 0.000 2.453 568 L HA 0.312 4.652 4.340 -0.001 0.000 0.272 568 L C 0.207 176.942 176.870 -0.225 0.000 1.182 568 L CA -0.332 54.422 54.840 -0.143 0.000 0.858 568 L CB 0.525 42.535 42.059 -0.081 0.000 1.120 568 L HN 0.468 nan 8.230 nan 0.000 0.474 569 V N -0.263 119.411 119.914 -0.400 0.000 2.769 569 V HA 0.694 4.813 4.120 -0.001 0.000 0.312 569 V C -0.834 174.982 176.094 -0.463 0.000 1.061 569 V CA -0.835 61.188 62.300 -0.463 0.000 0.931 569 V CB 2.140 33.650 31.823 -0.521 0.000 1.010 569 V HN 0.806 nan 8.190 nan 0.000 0.433 570 D N 1.842 121.972 120.400 -0.450 0.000 2.527 570 D HA 0.610 5.250 4.640 -0.001 0.000 0.233 570 D C -1.464 174.518 176.300 -0.529 0.000 1.063 570 D CA -0.429 53.405 54.000 -0.277 0.000 0.880 570 D CB 2.462 43.194 40.800 -0.112 0.000 1.457 570 D HN 0.457 nan 8.370 nan 0.000 0.475 571 F N 0.071 120.054 119.950 0.056 0.000 2.588 571 F HA 0.317 4.844 4.527 -0.001 0.000 0.310 571 F C -0.546 175.382 175.800 0.213 0.000 1.082 571 F CA -1.040 57.008 58.000 0.080 0.000 0.929 571 F CB 1.588 40.690 39.000 0.169 0.000 1.254 571 F HN 0.163 nan 8.300 nan 0.000 0.455 572 Y N 2.249 122.706 120.300 0.260 0.000 2.319 572 Y HA 0.523 5.073 4.550 -0.001 0.000 0.328 572 Y C 0.233 176.259 175.900 0.211 0.000 1.133 572 Y CA -1.374 56.834 58.100 0.180 0.000 1.265 572 Y CB 0.726 39.243 38.460 0.096 0.000 1.218 572 Y HN 0.334 nan 8.280 nan 0.000 0.508 573 V N -0.386 119.739 119.914 0.353 0.000 2.962 573 V HA 0.545 4.665 4.120 -0.001 0.000 0.313 573 V C 0.374 176.621 176.094 0.255 0.000 1.099 573 V CA -0.678 61.787 62.300 0.276 0.000 0.971 573 V CB 1.720 33.699 31.823 0.260 0.000 1.028 573 V HN 0.679 nan 8.190 nan 0.000 0.430 574 S N 0.616 116.440 115.700 0.205 0.000 2.603 574 S HA 0.221 4.691 4.470 -0.001 0.000 0.220 574 S C 0.703 175.451 174.600 0.248 0.000 0.967 574 S CA 0.552 58.865 58.200 0.188 0.000 0.920 574 S CB -0.207 63.069 63.200 0.126 0.000 0.773 574 S HN 1.428 nan 8.310 nan 0.000 0.529 575 S N 1.255 117.083 115.700 0.213 0.000 2.540 575 S HA 0.564 5.033 4.470 -0.001 0.000 0.275 575 S C -2.578 171.893 174.600 -0.215 0.000 1.123 575 S CA -1.378 56.814 58.200 -0.013 0.000 0.907 575 S CB 1.979 65.195 63.200 0.027 0.000 1.081 575 S HN 0.020 nan 8.310 nan 0.000 0.476 576 P HA 0.153 nan 4.420 nan 0.000 0.236 576 P C -0.077 177.057 177.300 -0.276 0.000 1.177 576 P CA 0.414 63.139 63.100 -0.626 0.000 0.773 576 P CB -0.195 30.862 31.700 -1.072 0.000 0.878 577 F N 0.813 120.767 119.950 0.008 0.000 2.467 577 F HA 0.285 4.811 4.527 -0.001 0.000 0.349 577 F C 0.328 176.170 175.800 0.071 0.000 1.182 577 F CA -0.823 57.217 58.000 0.065 0.000 1.279 577 F CB 0.346 39.350 39.000 0.007 0.000 1.626 577 F HN -0.343 nan 8.300 nan 0.000 0.596 578 V N 1.153 121.196 119.914 0.214 0.000 2.709 578 V HA 0.521 4.640 4.120 -0.001 0.000 0.308 578 V C -0.367 175.795 176.094 0.113 0.000 1.062 578 V CA -0.814 61.572 62.300 0.144 0.000 0.901 578 V CB 2.297 34.197 31.823 0.127 0.000 1.003 578 V HN 0.537 nan 8.190 nan 0.000 0.425 579 S N 3.044 118.792 115.700 0.081 0.000 2.638 579 S HA 0.906 5.375 4.470 -0.001 0.000 0.302 579 S C -0.922 173.665 174.600 -0.020 0.000 1.096 579 S CA -0.846 57.383 58.200 0.048 0.000 0.953 579 S CB 2.157 65.404 63.200 0.078 0.000 1.107 579 S HN 0.462 nan 8.310 nan 0.000 0.503 580 V N 1.738 121.604 119.914 -0.080 0.000 2.604 580 V HA 0.781 4.900 4.120 -0.001 0.000 0.305 580 V C 0.039 176.043 176.094 -0.149 0.000 1.043 580 V CA -0.470 61.700 62.300 -0.217 0.000 0.888 580 V CB 1.553 33.054 31.823 -0.536 0.000 0.995 580 V HN 1.207 nan 8.190 nan 0.000 0.429 581 T N -0.390 114.096 114.554 -0.115 0.000 2.916 581 T HA 0.672 5.022 4.350 -0.001 0.000 0.292 581 T C -0.649 174.042 174.700 -0.015 0.000 1.055 581 T CA -0.885 61.174 62.100 -0.067 0.000 1.009 581 T CB 2.059 70.881 68.868 -0.077 0.000 1.118 581 T HN 0.711 nan 8.240 nan 0.000 0.497 582 D N 0.679 121.051 120.400 -0.047 0.000 2.440 582 D HA 0.208 4.847 4.640 -0.001 0.000 0.269 582 D C 0.944 177.124 176.300 -0.199 0.000 1.249 582 D CA -0.968 52.900 54.000 -0.220 0.000 1.055 582 D CB 0.157 40.809 40.800 -0.246 0.000 1.104 582 D HN 0.299 nan 8.370 nan 0.000 0.561 583 L N -0.891 120.197 121.223 -0.226 0.000 2.558 583 L HA 0.301 4.641 4.340 -0.001 0.000 0.225 583 L C 1.910 178.708 176.870 -0.119 0.000 1.128 583 L CA 0.748 55.487 54.840 -0.168 0.000 0.868 583 L CB -0.861 41.098 42.059 -0.166 0.000 1.006 583 L HN 0.636 nan 8.230 nan 0.000 0.454 584 A N -1.140 121.615 122.820 -0.109 0.000 2.251 584 A HA 0.073 4.393 4.320 -0.001 0.000 0.209 584 A C 1.218 178.760 177.584 -0.071 0.000 1.187 584 A CA 0.562 52.551 52.037 -0.079 0.000 0.823 584 A CB -0.478 18.481 19.000 -0.069 0.000 0.846 584 A HN 0.502 nan 8.150 nan 0.000 0.486 585 N N -0.569 118.082 118.700 -0.081 0.000 2.850 585 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 585 N C -1.025 174.445 175.510 -0.066 0.000 1.060 585 N CA 0.849 53.858 53.050 -0.068 0.000 0.825 585 N CB -1.934 36.523 38.487 -0.051 0.000 1.132 585 N HN 0.549 nan 8.380 nan 0.000 0.564 586 N N 1.407 120.064 118.700 -0.072 0.000 2.520 586 N HA 0.229 4.968 4.740 -0.001 0.000 0.273 586 N C -2.466 172.981 175.510 -0.105 0.000 1.155 586 N CA -0.659 52.343 53.050 -0.079 0.000 0.967 586 N CB 0.490 38.939 38.487 -0.062 0.000 1.092 586 N HN 0.257 nan 8.380 nan 0.000 0.457 587 P HA 0.068 nan 4.420 nan 0.000 0.271 587 P C -0.471 176.698 177.300 -0.218 0.000 1.216 587 P CA -0.095 62.835 63.100 -0.283 0.000 0.776 587 P CB 0.751 32.014 31.700 -0.728 0.000 0.881 588 V N 2.839 122.671 119.914 -0.137 0.000 2.448 588 V HA 0.216 4.335 4.120 -0.001 0.000 0.295 588 V C 0.600 176.687 176.094 -0.012 0.000 1.025 588 V CA -0.834 61.437 62.300 -0.048 0.000 0.859 588 V CB 1.377 33.179 31.823 -0.034 0.000 0.988 588 V HN 0.553 nan 8.190 nan 0.000 0.431 589 E N 2.786 123.017 120.200 0.053 0.000 2.417 589 E HA 0.432 4.782 4.350 -0.001 0.000 0.261 589 E C -0.196 176.474 176.600 0.117 0.000 1.000 589 E CA 0.056 56.521 56.400 0.109 0.000 0.919 589 E CB 0.839 30.606 29.700 0.113 0.000 0.955 589 E HN 0.871 nan 8.360 nan 0.000 0.455 590 A N 4.412 127.291 122.820 0.099 0.000 2.469 590 A HA 0.426 4.745 4.320 -0.001 0.000 0.299 590 A C -1.182 176.424 177.584 0.036 0.000 1.098 590 A CA -0.703 51.404 52.037 0.117 0.000 0.737 590 A CB 1.910 20.979 19.000 0.114 0.000 1.312 590 A HN 0.663 nan 8.150 nan 0.000 0.414 591 Q N 0.801 120.630 119.800 0.048 0.000 2.356 591 Q HA 0.660 4.999 4.340 -0.001 0.000 0.270 591 Q C -2.002 173.995 176.000 -0.006 0.000 1.058 591 Q CA -0.567 55.221 55.803 -0.025 0.000 0.802 591 Q CB 2.158 30.915 28.738 0.032 0.000 1.303 591 Q HN 0.557 nan 8.270 nan 0.000 0.444 592 V N 2.596 122.441 119.914 -0.114 0.000 2.459 592 V HA 0.556 4.675 4.120 -0.001 0.000 0.295 592 V C -0.586 175.696 176.094 0.314 0.000 1.029 592 V CA -0.353 61.992 62.300 0.075 0.000 0.874 592 V CB 1.801 33.633 31.823 0.015 0.000 0.985 592 V HN 0.841 nan 8.190 nan 0.000 0.438 593 S N 5.254 121.168 115.700 0.357 0.000 2.599 593 S HA 0.682 5.151 4.470 -0.001 0.000 0.294 593 S C -2.775 171.915 174.600 0.149 0.000 1.094 593 S CA -1.211 57.184 58.200 0.326 0.000 0.931 593 S CB 2.385 65.719 63.200 0.224 0.000 1.093 593 S HN 0.530 nan 8.310 nan 0.000 0.488 594 P HA 0.199 nan 4.420 nan 0.000 0.272 594 P C -1.123 175.873 177.300 -0.507 0.000 1.240 594 P CA -0.453 62.278 63.100 -0.614 0.000 0.791 594 P CB 0.355 31.328 31.700 -1.212 0.000 0.978 595 V N 2.024 121.557 119.914 -0.634 0.000 2.348 595 V HA 0.188 4.307 4.120 -0.001 0.000 0.270 595 V C -0.523 175.246 176.094 -0.541 0.000 1.037 595 V CA -0.173 61.837 62.300 -0.484 0.000 0.872 595 V CB -0.357 31.098 31.823 -0.613 0.000 1.002 595 V HN 0.525 nan 8.190 nan 0.000 0.464 596 W N 3.544 124.753 121.300 -0.152 0.000 2.429 596 W HA 0.626 5.285 4.660 -0.001 0.000 0.314 596 W C 0.394 176.824 176.519 -0.150 0.000 1.062 596 W CA -0.390 56.844 57.345 -0.185 0.000 1.211 596 W CB 1.840 31.198 29.460 -0.170 0.000 1.305 596 W HN 0.577 nan 8.180 nan 0.000 0.476 597 S N 1.434 117.141 115.700 0.012 0.000 2.536 597 S HA 0.599 5.068 4.470 -0.001 0.000 0.298 597 S C -1.395 172.999 174.600 -0.343 0.000 1.083 597 S CA -0.959 57.184 58.200 -0.095 0.000 0.995 597 S CB 1.230 64.334 63.200 -0.160 0.000 1.058 597 S HN 0.404 nan 8.310 nan 0.000 0.488 598 W N 1.047 122.138 121.300 -0.349 0.000 2.469 598 W HA 0.533 5.192 4.660 -0.001 0.000 0.320 598 W C -0.073 176.127 176.519 -0.532 0.000 1.086 598 W CA -0.208 56.943 57.345 -0.323 0.000 1.211 598 W CB 0.889 30.250 29.460 -0.166 0.000 1.298 598 W HN 0.745 nan 8.180 nan 0.000 0.525 599 H N 0.490 119.561 119.070 0.002 0.000 2.658 599 H HA 0.138 4.694 4.556 -0.001 0.000 0.337 599 H C -0.818 174.520 175.328 0.015 0.000 1.009 599 H CA -1.062 54.953 56.048 -0.054 0.000 1.231 599 H CB 1.190 30.826 29.762 -0.209 0.000 1.508 599 H HN 0.357 nan 8.280 nan 0.000 0.517 600 H N 2.595 121.745 119.070 0.132 0.000 3.086 600 H HA 0.027 4.582 4.556 -0.001 0.000 0.265 600 H C -0.493 174.916 175.328 0.133 0.000 1.092 600 H CA -0.310 55.814 56.048 0.126 0.000 1.487 600 H CB 0.241 30.052 29.762 0.083 0.000 1.514 600 H HN 0.537 nan 8.280 nan 0.000 0.497 601 D N 3.790 124.061 120.400 -0.215 0.000 2.365 601 D HA -0.017 4.623 4.640 -0.001 0.000 0.237 601 D C 0.946 177.014 176.300 -0.387 0.000 1.190 601 D CA 0.089 54.009 54.000 -0.133 0.000 0.867 601 D CB 0.835 41.764 40.800 0.215 0.000 1.050 601 D HN 0.805 nan 8.370 nan 0.000 0.491 602 T N 1.505 115.877 114.554 -0.303 0.000 3.007 602 T HA -0.093 4.257 4.350 -0.001 0.000 0.270 602 T C 1.880 176.526 174.700 -0.090 0.000 1.107 602 T CA 0.188 62.170 62.100 -0.198 0.000 1.118 602 T CB 0.208 69.045 68.868 -0.052 0.000 0.889 602 T HN 0.266 nan 8.240 nan 0.000 0.506 603 L N 2.250 123.430 121.223 -0.072 0.000 2.034 603 L HA 0.059 4.398 4.340 -0.001 0.000 0.203 603 L C 3.063 179.910 176.870 -0.038 0.000 1.074 603 L CA 2.290 57.106 54.840 -0.040 0.000 0.748 603 L CB -1.885 40.156 42.059 -0.031 0.000 0.905 603 L HN 0.548 nan 8.230 nan 0.000 0.439 604 T N -3.772 110.754 114.554 -0.046 0.000 3.088 604 T HA -0.028 4.321 4.350 -0.001 0.000 0.259 604 T C 0.802 175.491 174.700 -0.018 0.000 1.122 604 T CA -0.123 61.951 62.100 -0.043 0.000 1.095 604 T CB 0.032 68.850 68.868 -0.084 0.000 0.930 604 T HN 0.142 nan 8.240 nan 0.000 0.508 605 K N 2.023 122.404 120.400 -0.031 0.000 3.096 605 K HA -0.130 4.189 4.320 -0.001 0.000 0.266 605 K C 0.161 176.828 176.600 0.111 0.000 1.043 605 K CA 1.270 57.579 56.287 0.036 0.000 0.758 605 K CB -2.939 29.608 32.500 0.078 0.000 1.260 605 K HN 0.873 nan 8.250 nan 0.000 0.481 606 T N -2.719 111.896 114.554 0.102 0.000 2.916 606 T HA 0.807 5.157 4.350 -0.001 0.000 0.292 606 T C 0.281 175.185 174.700 0.340 0.000 1.064 606 T CA -1.081 61.141 62.100 0.204 0.000 1.011 606 T CB 2.110 71.058 68.868 0.134 0.000 1.152 606 T HN 0.125 nan 8.240 nan 0.000 0.510 607 I N 2.860 123.653 120.570 0.371 0.000 2.328 607 I HA 0.477 4.646 4.170 -0.001 0.000 0.287 607 I C -0.230 176.201 176.117 0.524 0.000 1.012 607 I CA -0.603 60.945 61.300 0.414 0.000 1.195 607 I CB 0.565 38.755 38.000 0.316 0.000 1.350 607 I HN 0.907 nan 8.210 nan 0.000 0.464 608 H N 5.787 125.029 119.070 0.287 0.000 2.961 608 H HA 0.695 5.250 4.556 -0.001 0.000 0.371 608 H C -3.128 172.006 175.328 -0.324 0.000 1.190 608 H CA -2.494 53.563 56.048 0.015 0.000 1.138 608 H CB 1.999 31.765 29.762 0.008 0.000 1.816 608 H HN 0.160 nan 8.280 nan 0.000 0.551 609 P HA 0.187 nan 4.420 nan 0.000 0.288 609 P C -1.026 176.180 177.300 -0.156 0.000 1.267 609 P CA -0.664 61.892 63.100 -0.906 0.000 0.815 609 P CB 1.785 32.608 31.700 -1.462 0.000 0.989 610 Q N 0.970 120.781 119.800 0.018 0.000 2.337 610 Q HA 0.551 4.890 4.340 -0.001 0.000 0.266 610 Q C 0.200 176.237 176.000 0.063 0.000 1.023 610 Q CA -0.618 55.268 55.803 0.139 0.000 0.829 610 Q CB 2.778 31.577 28.738 0.102 0.000 1.306 610 Q HN 0.571 nan 8.270 nan 0.000 0.449 611 G N 0.804 109.492 108.800 -0.187 0.000 2.348 611 G HA2 0.277 4.236 3.960 -0.001 0.000 0.312 611 G HA3 0.277 4.236 3.960 -0.001 0.000 0.312 611 G C -0.192 174.411 174.900 -0.494 0.000 1.126 611 G CA -0.320 44.313 45.100 -0.777 0.000 0.865 611 G HN 0.436 nan 8.290 nan 0.000 0.474 612 S N 0.315 115.683 115.700 -0.553 0.000 2.549 612 S HA 0.209 4.678 4.470 -0.001 0.000 0.283 612 S C 1.705 176.028 174.600 -0.461 0.000 1.320 612 S CA 0.318 58.243 58.200 -0.458 0.000 1.058 612 S CB 0.603 63.478 63.200 -0.542 0.000 0.882 612 S HN 0.833 nan 8.310 nan 0.000 0.498 613 T N 0.440 114.814 114.554 -0.300 0.000 3.060 613 T HA 0.068 4.417 4.350 -0.001 0.000 0.249 613 T C 1.352 175.950 174.700 -0.170 0.000 1.079 613 T CA 0.652 62.641 62.100 -0.185 0.000 1.013 613 T CB -0.294 68.523 68.868 -0.085 0.000 0.975 613 T HN 0.715 nan 8.240 nan 0.000 0.518 614 T N -0.780 113.603 114.554 -0.285 0.000 2.985 614 T HA 0.320 4.670 4.350 -0.001 0.000 0.254 614 T C 0.335 174.842 174.700 -0.323 0.000 1.021 614 T CA -0.580 61.401 62.100 -0.198 0.000 0.957 614 T CB -0.011 68.791 68.868 -0.110 0.000 1.047 614 T HN 0.648 nan 8.240 nan 0.000 0.511 615 K N -0.038 119.945 120.400 -0.695 0.000 2.482 615 K HA 0.670 4.989 4.320 -0.001 0.000 0.257 615 K C -2.006 173.909 176.600 -1.141 0.000 0.969 615 K CA -1.106 54.783 56.287 -0.665 0.000 0.842 615 K CB 1.693 33.953 32.500 -0.400 0.000 1.359 615 K HN 0.115 nan 8.250 nan 0.000 0.441 616 Y N -0.290 119.938 120.300 -0.119 0.000 2.581 616 Y HA 0.444 4.994 4.550 -0.001 0.000 0.345 616 Y C -0.453 175.490 175.900 0.072 0.000 1.036 616 Y CA -1.194 56.878 58.100 -0.048 0.000 1.042 616 Y CB 2.206 40.699 38.460 0.054 0.000 1.289 616 Y HN 0.333 nan 8.280 nan 0.000 0.471 617 R N 1.889 122.545 120.500 0.259 0.000 2.229 617 R HA 0.530 4.870 4.340 -0.001 0.000 0.328 617 R C -1.140 175.337 176.300 0.294 0.000 1.009 617 R CA -0.591 55.702 56.100 0.322 0.000 0.864 617 R CB 1.412 31.874 30.300 0.269 0.000 1.085 617 R HN 0.645 nan 8.270 nan 0.000 0.453 618 I N 4.304 125.065 120.570 0.318 0.000 2.359 618 I HA 0.374 4.543 4.170 -0.001 0.000 0.294 618 I C -0.905 175.391 176.117 0.298 0.000 0.987 618 I CA -0.563 60.912 61.300 0.292 0.000 1.225 618 I CB 0.811 38.994 38.000 0.305 0.000 1.366 618 I HN 0.531 nan 8.210 nan 0.000 0.466 619 I N 8.379 129.089 120.570 0.232 0.000 2.509 619 I HA 0.527 4.696 4.170 -0.001 0.000 0.293 619 I C -0.905 175.344 176.117 0.221 0.000 1.020 619 I CA -0.575 60.806 61.300 0.135 0.000 1.088 619 I CB 1.567 39.612 38.000 0.075 0.000 1.267 619 I HN 0.548 nan 8.210 nan 0.000 0.430 620 F N 2.623 122.592 119.950 0.032 0.000 2.686 620 F HA 0.570 5.096 4.527 -0.001 0.000 0.311 620 F C -1.023 174.752 175.800 -0.041 0.000 1.128 620 F CA -1.322 56.671 58.000 -0.011 0.000 0.946 620 F CB 1.322 40.296 39.000 -0.043 0.000 1.336 620 F HN 0.185 nan 8.300 nan 0.000 0.457 621 K N 1.959 122.447 120.400 0.146 0.000 2.285 621 K HA 0.710 5.029 4.320 -0.001 0.000 0.286 621 K C -0.557 176.102 176.600 0.098 0.000 1.072 621 K CA -0.348 55.971 56.287 0.053 0.000 0.913 621 K CB 0.769 33.328 32.500 0.099 0.000 1.067 621 K HN 0.905 nan 8.250 nan 0.000 0.479 622 A N 4.567 127.359 122.820 -0.047 0.000 2.327 622 A HA 0.391 4.710 4.320 -0.001 0.000 0.283 622 A C -0.537 177.196 177.584 0.248 0.000 1.127 622 A CA -0.572 51.514 52.037 0.082 0.000 0.810 622 A CB 0.598 19.616 19.000 0.029 0.000 1.066 622 A HN 0.869 nan 8.150 nan 0.000 0.492 623 R N 1.881 122.638 120.500 0.430 0.000 2.439 623 R HA 0.609 4.948 4.340 -0.001 0.000 0.310 623 R C -1.927 174.634 176.300 0.435 0.000 0.955 623 R CA -0.231 56.101 56.100 0.387 0.000 0.853 623 R CB 1.452 31.959 30.300 0.344 0.000 1.171 623 R HN 0.507 nan 8.270 nan 0.000 0.449 624 V N 5.908 126.038 119.914 0.359 0.000 2.709 624 V HA 0.476 4.596 4.120 -0.001 0.000 0.308 624 V C -2.305 173.698 176.094 -0.151 0.000 1.062 624 V CA -2.301 60.098 62.300 0.166 0.000 0.901 624 V CB 1.957 33.852 31.823 0.119 0.000 1.003 624 V HN 0.783 nan 8.190 nan 0.000 0.425 625 P HA 0.213 nan 4.420 nan 0.000 0.271 625 P C -2.743 174.078 177.300 -0.799 0.000 1.233 625 P CA -1.333 60.872 63.100 -1.491 0.000 0.789 625 P CB -0.268 30.755 31.700 -1.128 0.000 0.951 626 P HA 0.061 nan 4.420 nan 0.000 0.264 626 P C 0.179 177.444 177.300 -0.059 0.000 1.193 626 P CA 0.684 63.602 63.100 -0.303 0.000 0.763 626 P CB -0.242 31.352 31.700 -0.177 0.000 0.810 627 M N 0.295 119.902 119.600 0.012 0.000 2.302 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.200 627 M C 0.564 177.085 176.300 0.368 0.000 0.366 627 M CA 1.020 56.469 55.300 0.249 0.000 0.440 627 M CB -2.047 30.784 32.600 0.383 0.000 1.475 627 M HN 0.604 nan 8.290 nan 0.000 0.905 628 G N -0.226 108.644 108.800 0.116 0.000 3.086 628 G HA2 0.934 4.893 3.960 -0.001 0.000 0.282 628 G HA3 0.934 4.893 3.960 -0.001 0.000 0.282 628 G C -1.404 173.623 174.900 0.212 0.000 1.343 628 G CA -0.954 44.192 45.100 0.077 0.000 0.895 628 G HN 0.173 nan 8.290 nan 0.000 0.557 629 L N -0.563 120.763 121.223 0.172 0.000 2.409 629 L HA 0.801 5.140 4.340 -0.001 0.000 0.262 629 L C -0.333 176.619 176.870 0.137 0.000 0.992 629 L CA -1.018 53.946 54.840 0.206 0.000 0.817 629 L CB 2.524 44.705 42.059 0.203 0.000 1.350 629 L HN 0.794 nan 8.230 nan 0.000 0.411 630 A N 0.743 123.677 122.820 0.191 0.000 2.427 630 A HA 0.789 5.108 4.320 -0.001 0.000 0.298 630 A C -0.802 176.892 177.584 0.184 0.000 1.036 630 A CA -0.446 51.678 52.037 0.145 0.000 0.701 630 A CB 1.680 20.811 19.000 0.219 0.000 1.250 630 A HN 0.547 nan 8.150 nan 0.000 0.412 631 T N 2.273 116.834 114.554 0.012 0.000 2.829 631 T HA 0.638 4.988 4.350 -0.001 0.000 0.282 631 T C -0.971 173.588 174.700 -0.235 0.000 0.990 631 T CA 0.292 62.438 62.100 0.076 0.000 1.028 631 T CB 0.291 69.215 68.868 0.094 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.350 120.710 120.300 0.100 0.000 2.633 632 Y HA 0.672 5.222 4.550 -0.001 0.000 0.339 632 Y C -0.311 175.485 175.900 -0.174 0.000 1.045 632 Y CA -1.178 56.891 58.100 -0.051 0.000 1.098 632 Y CB 1.701 40.130 38.460 -0.052 0.000 1.296 632 Y HN 0.298 nan 8.280 nan 0.000 0.494 633 V N 3.081 122.940 119.914 -0.093 0.000 2.588 633 V HA 0.427 4.547 4.120 -0.001 0.000 0.304 633 V C -0.801 175.229 176.094 -0.105 0.000 1.042 633 V CA -0.953 61.239 62.300 -0.179 0.000 0.877 633 V CB 1.716 33.372 31.823 -0.278 0.000 0.996 633 V HN 0.490 nan 8.190 nan 0.000 0.425 634 L N 3.887 125.078 121.223 -0.053 0.000 2.296 634 L HA 0.679 5.018 4.340 -0.001 0.000 0.286 634 L C -0.087 176.800 176.870 0.028 0.000 1.023 634 L CA -0.139 54.686 54.840 -0.025 0.000 0.812 634 L CB 1.714 43.770 42.059 -0.006 0.000 1.223 634 L HN 0.586 nan 8.230 nan 0.000 0.421 635 T N 3.745 118.320 114.554 0.034 0.000 2.848 635 T HA 0.451 4.800 4.350 -0.001 0.000 0.285 635 T C -0.206 174.542 174.700 0.080 0.000 0.995 635 T CA -0.376 61.758 62.100 0.057 0.000 0.970 635 T CB 2.294 71.186 68.868 0.040 0.000 0.976 635 T HN 0.386 nan 8.240 nan 0.000 0.441 636 I N 3.366 123.991 120.570 0.092 0.000 2.638 636 I HA 0.472 4.641 4.170 -0.001 0.000 0.286 636 I C 0.436 176.616 176.117 0.104 0.000 1.088 636 I CA 0.293 61.661 61.300 0.114 0.000 1.397 636 I CB 0.642 38.711 38.000 0.115 0.000 1.414 636 I HN 0.808 nan 8.210 nan 0.000 0.566 637 S N 3.912 119.691 115.700 0.131 0.000 2.704 637 S HA 0.322 4.792 4.470 -0.001 0.000 0.296 637 S C 0.206 174.838 174.600 0.053 0.000 1.138 637 S CA -0.459 57.786 58.200 0.076 0.000 0.875 637 S CB 1.502 64.732 63.200 0.050 0.000 1.151 637 S HN 0.743 nan 8.310 nan 0.000 0.500 638 D N -0.089 120.283 120.400 -0.045 0.000 2.348 638 D HA 0.087 4.727 4.640 -0.001 0.000 0.211 638 D C 0.616 176.684 176.300 -0.387 0.000 0.998 638 D CA 0.659 54.590 54.000 -0.115 0.000 0.873 638 D CB 0.010 40.761 40.800 -0.081 0.000 0.925 638 D HN 0.631 nan 8.370 nan 0.000 0.524 639 S N -1.275 114.115 115.700 -0.516 0.000 2.672 639 S HA 0.334 4.803 4.470 -0.001 0.000 0.271 639 S C -0.806 173.428 174.600 -0.611 0.000 1.171 639 S CA -1.158 56.515 58.200 -0.879 0.000 0.817 639 S CB 1.384 64.311 63.200 -0.455 0.000 1.150 639 S HN -0.031 nan 8.310 nan 0.000 0.478 640 K N 2.057 122.193 120.400 -0.439 0.000 2.437 640 K HA 0.167 4.486 4.320 -0.001 0.000 0.277 640 K C -2.388 174.252 176.600 0.067 0.000 1.073 640 K CA -0.531 55.787 56.287 0.053 0.000 1.105 640 K CB -0.635 31.921 32.500 0.094 0.000 0.881 640 K HN 0.374 nan 8.250 nan 0.000 0.475 641 P HA 0.005 nan 4.420 nan 0.000 0.271 641 P C 0.529 177.856 177.300 0.045 0.000 1.218 641 P CA -0.247 62.907 63.100 0.091 0.000 0.780 641 P CB 0.768 32.544 31.700 0.127 0.000 0.901 642 E N 1.124 121.306 120.200 -0.031 0.000 2.097 642 E HA -0.255 4.095 4.350 -0.001 0.000 0.196 642 E C 0.647 177.054 176.600 -0.322 0.000 1.000 642 E CA 1.270 57.550 56.400 -0.199 0.000 0.804 642 E CB -0.031 29.476 29.700 -0.321 0.000 0.740 642 E HN 0.503 nan 8.360 nan 0.000 0.454 643 H N -1.076 118.009 119.070 0.024 0.000 2.542 643 H HA 0.207 4.762 4.556 -0.001 0.000 0.283 643 H C -0.369 174.957 175.328 -0.003 0.000 1.059 643 H CA 0.209 56.265 56.048 0.013 0.000 1.162 643 H CB 0.743 30.511 29.762 0.010 0.000 1.539 643 H HN -0.052 nan 8.280 nan 0.000 0.543 644 T N 1.585 116.164 114.554 0.042 0.000 2.792 644 T HA 0.308 4.657 4.350 -0.001 0.000 0.280 644 T C 0.395 174.982 174.700 -0.188 0.000 0.990 644 T CA -0.669 61.386 62.100 -0.074 0.000 0.960 644 T CB 2.077 70.895 68.868 -0.084 0.000 0.939 644 T HN 0.268 nan 8.240 nan 0.000 0.439 645 S N 2.446 117.991 115.700 -0.258 0.000 2.718 645 S HA 0.763 5.232 4.470 -0.001 0.000 0.300 645 S C -1.343 172.906 174.600 -0.586 0.000 1.117 645 S CA -0.794 57.265 58.200 -0.235 0.000 1.002 645 S CB 0.802 63.976 63.200 -0.043 0.000 1.092 645 S HN 0.578 nan 8.310 nan 0.000 0.542 646 Y N -0.055 120.258 120.300 0.020 0.000 2.391 646 Y HA 0.640 5.189 4.550 -0.001 0.000 0.341 646 Y C 0.529 176.488 175.900 0.097 0.000 0.965 646 Y CA -0.813 57.285 58.100 -0.005 0.000 1.067 646 Y CB 1.699 40.027 38.460 -0.219 0.000 1.199 646 Y HN 1.023 nan 8.280 nan 0.000 0.450 647 A N 2.126 125.141 122.820 0.324 0.000 2.425 647 A HA 0.468 4.788 4.320 -0.001 0.000 0.249 647 A C 0.311 178.105 177.584 0.349 0.000 1.084 647 A CA -0.346 51.870 52.037 0.298 0.000 0.781 647 A CB -0.089 19.084 19.000 0.287 0.000 1.019 647 A HN 0.766 nan 8.150 nan 0.000 0.490 648 S N 2.629 118.467 115.700 0.229 0.000 2.601 648 S HA 0.454 4.924 4.470 -0.001 0.000 0.271 648 S C -0.270 174.433 174.600 0.172 0.000 1.305 648 S CA -0.821 57.499 58.200 0.200 0.000 1.022 648 S CB 0.620 63.894 63.200 0.124 0.000 0.940 648 S HN 0.702 nan 8.310 nan 0.000 0.525 649 N N 0.631 119.413 118.700 0.138 0.000 2.238 649 N HA 0.525 5.265 4.740 -0.001 0.000 0.302 649 N C -1.854 173.606 175.510 -0.084 0.000 1.072 649 N CA -0.593 52.486 53.050 0.048 0.000 0.792 649 N CB 2.022 40.604 38.487 0.157 0.000 1.425 649 N HN 0.582 nan 8.380 nan 0.000 0.478 650 L N 2.371 123.497 121.223 -0.161 0.000 2.406 650 L HA 0.464 4.803 4.340 -0.001 0.000 0.272 650 L C -1.567 175.140 176.870 -0.272 0.000 0.980 650 L CA -0.585 54.132 54.840 -0.206 0.000 0.831 650 L CB 1.517 43.513 42.059 -0.106 0.000 1.253 650 L HN 0.417 nan 8.230 nan 0.000 0.406 651 L N 6.738 127.738 121.223 -0.372 0.000 2.265 651 L HA 0.485 4.825 4.340 -0.001 0.000 0.289 651 L C -1.258 175.571 176.870 -0.068 0.000 1.033 651 L CA -0.341 54.336 54.840 -0.272 0.000 0.814 651 L CB 1.130 42.986 42.059 -0.339 0.000 1.203 651 L HN 0.687 nan 8.230 nan 0.000 0.423 652 L N 6.681 127.888 121.223 -0.026 0.000 2.272 652 L HA 0.617 4.957 4.340 -0.001 0.000 0.289 652 L C 0.060 176.967 176.870 0.062 0.000 1.032 652 L CA -0.396 54.463 54.840 0.032 0.000 0.810 652 L CB 1.270 43.341 42.059 0.020 0.000 1.205 652 L HN 0.592 nan 8.230 nan 0.000 0.422 653 R N 2.727 123.274 120.500 0.079 0.000 2.907 653 R HA 0.198 4.538 4.340 -0.001 0.000 0.246 653 R C -1.446 174.894 176.300 0.066 0.000 1.082 653 R CA -0.813 55.333 56.100 0.078 0.000 1.003 653 R CB 1.909 32.265 30.300 0.094 0.000 1.261 653 R HN 0.560 nan 8.270 nan 0.000 0.474 654 K N 1.881 122.309 120.400 0.047 0.000 2.202 654 K HA 0.084 4.403 4.320 -0.001 0.000 0.264 654 K C 0.249 176.857 176.600 0.015 0.000 1.010 654 K CA -0.247 56.059 56.287 0.031 0.000 0.940 654 K CB 0.304 32.819 32.500 0.025 0.000 0.983 654 K HN 0.693 nan 8.250 nan 0.000 0.475 655 N N 0.883 119.581 118.700 -0.004 0.000 2.746 655 N HA -0.103 4.637 4.740 -0.001 0.000 0.250 655 N C -2.637 172.845 175.510 -0.048 0.000 1.055 655 N CA 0.062 53.094 53.050 -0.030 0.000 0.699 655 N CB -0.716 37.754 38.487 -0.027 0.000 0.919 655 N HN 0.399 nan 8.380 nan 0.000 0.548 656 P HA 0.301 nan 4.420 nan 0.000 0.276 656 P C -0.245 176.919 177.300 -0.227 0.000 1.244 656 P CA -0.099 62.936 63.100 -0.108 0.000 0.801 656 P CB 1.003 32.628 31.700 -0.126 0.000 1.006 657 T N -2.845 111.579 114.554 -0.217 0.000 2.916 657 T HA 0.487 4.837 4.350 -0.001 0.000 0.292 657 T C 0.209 174.753 174.700 -0.261 0.000 1.064 657 T CA -0.763 61.203 62.100 -0.224 0.000 1.011 657 T CB 0.619 69.422 68.868 -0.110 0.000 1.152 657 T HN 0.466 nan 8.240 nan 0.000 0.510 658 S N 0.884 116.468 115.700 -0.194 0.000 2.566 658 S HA 0.369 4.839 4.470 -0.001 0.000 0.280 658 S C -0.186 174.532 174.600 0.197 0.000 1.343 658 S CA -0.716 57.480 58.200 -0.006 0.000 1.036 658 S CB -0.409 62.793 63.200 0.003 0.000 0.866 658 S HN 0.691 nan 8.310 nan 0.000 0.526 659 L N 2.648 124.086 121.223 0.359 0.000 2.490 659 L HA 0.394 4.733 4.340 -0.001 0.000 0.256 659 L C -2.396 174.588 176.870 0.189 0.000 1.089 659 L CA -1.626 53.387 54.840 0.287 0.000 0.916 659 L CB 1.711 44.018 42.059 0.413 0.000 1.188 659 L HN 0.576 nan 8.230 nan 0.000 0.476 660 P HA 0.230 nan 4.420 nan 0.000 0.279 660 P C -0.171 177.126 177.300 -0.005 0.000 1.239 660 P CA -0.222 62.917 63.100 0.064 0.000 0.789 660 P CB 1.697 33.424 31.700 0.045 0.000 0.933 661 L N 1.648 122.879 121.223 0.014 0.000 3.209 661 L HA 0.291 4.631 4.340 -0.001 0.000 0.279 661 L C 1.498 178.430 176.870 0.103 0.000 1.301 661 L CA -0.230 54.590 54.840 -0.034 0.000 1.004 661 L CB -0.116 41.895 42.059 -0.081 0.000 1.402 661 L HN 0.700 nan 8.230 nan 0.000 0.577 662 G N 1.027 109.870 108.800 0.072 0.000 2.660 662 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.321 662 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.321 662 G C 0.618 175.589 174.900 0.118 0.000 1.246 662 G CA 0.759 45.923 45.100 0.107 0.000 1.000 662 G HN 0.489 nan 8.290 nan 0.000 0.550 663 Q N -0.453 119.414 119.800 0.113 0.000 2.482 663 Q HA 0.171 4.510 4.340 -0.001 0.000 0.209 663 Q C 0.766 176.646 176.000 -0.201 0.000 0.961 663 Q CA 0.118 55.885 55.803 -0.061 0.000 0.945 663 Q CB 0.224 28.846 28.738 -0.193 0.000 1.012 663 Q HN 0.494 nan 8.270 nan 0.000 0.515 664 Y N 3.401 123.575 120.300 -0.211 0.000 2.810 664 Y HA -0.064 4.486 4.550 -0.001 0.000 0.332 664 Y C -1.401 174.383 175.900 -0.193 0.000 1.243 664 Y CA -1.365 56.587 58.100 -0.246 0.000 1.537 664 Y CB 0.808 39.272 38.460 0.007 0.000 1.265 664 Y HN 0.057 nan 8.280 nan 0.000 0.572 665 P HA -0.071 nan 4.420 nan 0.000 0.236 665 P C -0.605 176.536 177.300 -0.265 0.000 1.177 665 P CA 0.780 63.613 63.100 -0.445 0.000 0.773 665 P CB 0.338 31.608 31.700 -0.715 0.000 0.878 666 E N 0.654 120.722 120.200 -0.220 0.000 2.187 666 E HA 0.220 4.570 4.350 -0.001 0.000 0.268 666 E C -0.846 175.891 176.600 0.228 0.000 0.896 666 E CA -0.825 55.599 56.400 0.040 0.000 0.766 666 E CB 0.872 30.618 29.700 0.077 0.000 1.142 666 E HN -0.201 nan 8.360 nan 0.000 0.408 667 D N 2.993 123.485 120.400 0.153 0.000 2.390 667 D HA 0.092 4.732 4.640 -0.001 0.000 0.249 667 D C -0.176 176.210 176.300 0.143 0.000 1.144 667 D CA -0.133 53.962 54.000 0.159 0.000 0.880 667 D CB 1.380 42.257 40.800 0.128 0.000 1.182 667 D HN 0.226 nan 8.370 nan 0.000 0.451 668 V N 4.113 124.102 119.914 0.125 0.000 2.599 668 V HA -0.049 4.071 4.120 -0.001 0.000 0.300 668 V C 0.912 176.896 176.094 -0.183 0.000 1.034 668 V CA 0.128 62.404 62.300 -0.041 0.000 1.115 668 V CB 0.343 32.120 31.823 -0.077 0.000 0.934 668 V HN 0.284 nan 8.190 nan 0.000 0.485 669 K N 3.829 124.070 120.400 -0.266 0.000 2.106 669 K HA 0.664 4.983 4.320 -0.001 0.000 0.246 669 K C -0.825 175.448 176.600 -0.546 0.000 0.987 669 K CA -0.313 55.856 56.287 -0.197 0.000 0.904 669 K CB 1.399 33.869 32.500 -0.050 0.000 1.071 669 K HN 0.422 nan 8.250 nan 0.000 0.453 670 F N -1.210 118.755 119.950 0.026 0.000 2.603 670 F HA 0.669 5.196 4.527 -0.001 0.000 0.317 670 F C 0.545 176.352 175.800 0.013 0.000 1.066 670 F CA -0.643 57.364 58.000 0.012 0.000 0.941 670 F CB 2.722 41.729 39.000 0.011 0.000 1.291 670 F HN 0.592 nan 8.300 nan 0.000 0.472 671 G N 0.323 109.235 108.800 0.186 0.000 2.547 671 G HA2 0.397 4.357 3.960 -0.001 0.000 0.291 671 G HA3 0.397 4.357 3.960 -0.001 0.000 0.291 671 G C -2.212 172.742 174.900 0.090 0.000 1.471 671 G CA -0.885 44.283 45.100 0.112 0.000 0.798 671 G HN 0.371 nan 8.290 nan 0.000 0.504 672 D N 1.142 121.583 120.400 0.068 0.000 2.399 672 D HA 0.370 5.010 4.640 -0.001 0.000 0.241 672 D C -1.938 174.393 176.300 0.052 0.000 1.133 672 D CA -0.530 53.504 54.000 0.055 0.000 0.890 672 D CB 0.947 41.773 40.800 0.045 0.000 1.201 672 D HN 0.027 nan 8.370 nan 0.000 0.432 673 P HA 0.047 nan 4.420 nan 0.000 0.263 673 P C -0.433 176.897 177.300 0.050 0.000 1.175 673 P CA 0.411 63.542 63.100 0.052 0.000 0.761 673 P CB 0.336 32.068 31.700 0.055 0.000 0.794 674 R N 0.423 120.955 120.500 0.054 0.000 2.664 674 R HA 0.373 4.712 4.340 -0.001 0.000 0.266 674 R C -1.148 175.194 176.300 0.070 0.000 1.046 674 R CA -0.988 55.145 56.100 0.054 0.000 0.885 674 R CB 1.024 31.352 30.300 0.047 0.000 1.254 674 R HN 0.231 nan 8.270 nan 0.000 0.465 675 E N 2.074 122.316 120.200 0.071 0.000 2.442 675 E HA 0.157 4.506 4.350 -0.001 0.000 0.262 675 E C 0.087 176.750 176.600 0.104 0.000 1.004 675 E CA 0.278 56.735 56.400 0.095 0.000 0.928 675 E CB 0.642 30.382 29.700 0.067 0.000 0.937 675 E HN 0.443 nan 8.360 nan 0.000 0.446 676 I N -1.946 118.722 120.570 0.162 0.000 3.042 676 I HA 0.610 4.780 4.170 -0.001 0.000 0.310 676 I C -0.504 175.768 176.117 0.258 0.000 1.117 676 I CA -0.917 60.483 61.300 0.168 0.000 1.003 676 I CB 2.354 40.425 38.000 0.118 0.000 1.228 676 I HN 0.203 nan 8.210 nan 0.000 0.443 677 S N 3.207 119.033 115.700 0.210 0.000 2.547 677 S HA 0.842 5.312 4.470 -0.001 0.000 0.281 677 S C -1.168 173.556 174.600 0.207 0.000 1.118 677 S CA -0.549 57.780 58.200 0.214 0.000 0.947 677 S CB 1.097 64.376 63.200 0.131 0.000 1.053 677 S HN 0.619 nan 8.310 nan 0.000 0.482 678 L N 3.446 124.816 121.223 0.246 0.000 2.434 678 L HA 0.688 5.027 4.340 -0.001 0.000 0.260 678 L C -0.466 176.499 176.870 0.159 0.000 0.983 678 L CA -0.771 54.187 54.840 0.197 0.000 0.820 678 L CB 2.448 44.643 42.059 0.227 0.000 1.361 678 L HN 0.623 nan 8.230 nan 0.000 0.410 679 R N 1.846 122.416 120.500 0.117 0.000 2.510 679 R HA 0.634 4.973 4.340 -0.001 0.000 0.294 679 R C -1.949 174.399 176.300 0.079 0.000 1.056 679 R CA -0.457 55.698 56.100 0.091 0.000 0.918 679 R CB 2.099 32.442 30.300 0.072 0.000 1.187 679 R HN 0.414 nan 8.270 nan 0.000 0.437 680 V N 4.713 124.673 119.914 0.076 0.000 2.472 680 V HA 0.576 4.696 4.120 -0.001 0.000 0.290 680 V C 1.166 177.292 176.094 0.053 0.000 1.037 680 V CA 0.667 63.006 62.300 0.066 0.000 0.908 680 V CB 1.062 32.926 31.823 0.068 0.000 0.985 680 V HN 1.110 nan 8.190 nan 0.000 0.454 681 G N 4.954 113.783 108.800 0.049 0.000 2.574 681 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.286 681 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.286 681 G C 0.556 175.477 174.900 0.035 0.000 1.212 681 G CA 0.611 45.736 45.100 0.041 0.000 0.979 681 G HN 0.663 nan 8.290 nan 0.000 0.557 682 N N 2.299 121.016 118.700 0.028 0.000 2.280 682 N HA 0.220 4.960 4.740 -0.001 0.000 0.192 682 N C 1.402 176.922 175.510 0.017 0.000 1.109 682 N CA 1.083 54.146 53.050 0.020 0.000 0.855 682 N CB 0.181 38.677 38.487 0.015 0.000 0.974 682 N HN 0.828 nan 8.380 nan 0.000 0.482 683 G N 1.878 110.692 108.800 0.023 0.000 2.479 683 G HA2 0.139 4.098 3.960 -0.001 0.000 0.275 683 G HA3 0.139 4.098 3.960 -0.001 0.000 0.275 683 G C -2.268 172.641 174.900 0.015 0.000 1.421 683 G CA -0.507 44.605 45.100 0.020 0.000 1.059 683 G HN 0.028 nan 8.290 nan 0.000 0.535 684 P HA 0.191 nan 4.420 nan 0.000 0.272 684 P C -0.497 176.816 177.300 0.022 0.000 1.230 684 P CA 0.089 63.192 63.100 0.004 0.000 0.788 684 P CB 0.769 32.468 31.700 -0.001 0.000 0.949 685 T N 2.577 117.138 114.554 0.011 0.000 2.767 685 T HA 0.472 4.821 4.350 -0.001 0.000 0.284 685 T C -0.025 174.692 174.700 0.028 0.000 0.973 685 T CA -0.382 61.744 62.100 0.043 0.000 0.996 685 T CB 0.174 69.073 68.868 0.051 0.000 0.927 685 T HN 0.179 nan 8.240 nan 0.000 0.456 686 L N 2.704 123.950 121.223 0.038 0.000 2.322 686 L HA 0.777 5.116 4.340 -0.001 0.000 0.281 686 L C 0.102 176.883 176.870 -0.148 0.000 1.014 686 L CA -1.149 53.626 54.840 -0.109 0.000 0.815 686 L CB 1.596 43.569 42.059 -0.143 0.000 1.247 686 L HN 0.650 nan 8.230 nan 0.000 0.421 687 A N 3.306 125.964 122.820 -0.269 0.000 2.337 687 A HA 0.872 5.191 4.320 -0.001 0.000 0.329 687 A C -1.226 176.139 177.584 -0.365 0.000 1.146 687 A CA -0.307 51.638 52.037 -0.153 0.000 0.800 687 A CB 0.839 19.814 19.000 -0.042 0.000 1.220 687 A HN 0.508 nan 8.150 nan 0.000 0.472 688 F N 0.894 120.893 119.950 0.082 0.000 2.546 688 F HA 0.527 5.053 4.527 -0.001 0.000 0.320 688 F C 1.067 176.919 175.800 0.087 0.000 1.076 688 F CA -0.325 57.739 58.000 0.107 0.000 0.928 688 F CB 2.208 41.273 39.000 0.108 0.000 1.189 688 F HN 0.671 nan 8.300 nan 0.000 0.465 689 S N 0.215 116.086 115.700 0.285 0.000 2.608 689 S HA 0.088 4.558 4.470 -0.001 0.000 0.261 689 S C 1.021 175.728 174.600 0.179 0.000 1.314 689 S CA -0.105 58.207 58.200 0.186 0.000 0.992 689 S CB 0.713 64.020 63.200 0.180 0.000 0.935 689 S HN 0.850 nan 8.310 nan 0.000 0.564 690 E N 0.073 120.346 120.200 0.120 0.000 2.463 690 E HA -0.204 4.146 4.350 -0.001 0.000 0.201 690 E C 1.343 178.005 176.600 0.103 0.000 1.045 690 E CA 1.012 57.471 56.400 0.100 0.000 0.872 690 E CB -0.426 29.317 29.700 0.072 0.000 0.797 690 E HN 0.808 nan 8.360 nan 0.000 0.538 691 Q N 0.036 119.913 119.800 0.128 0.000 2.360 691 Q HA 0.149 4.489 4.340 -0.001 0.000 0.202 691 Q C 0.821 176.907 176.000 0.144 0.000 0.915 691 Q CA 0.287 56.164 55.803 0.125 0.000 0.943 691 Q CB 0.765 29.583 28.738 0.133 0.000 1.064 691 Q HN 0.532 nan 8.270 nan 0.000 0.511 692 G N 0.948 109.852 108.800 0.174 0.000 2.136 692 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G C -0.179 174.926 174.900 0.342 0.000 0.989 692 G CA -0.080 45.123 45.100 0.172 0.000 0.682 692 G HN 0.235 nan 8.290 nan 0.000 0.522 693 L N -0.167 121.302 121.223 0.410 0.000 2.325 693 L HA 0.687 5.026 4.340 -0.001 0.000 0.278 693 L C 0.854 178.036 176.870 0.520 0.000 1.023 693 L CA -1.391 53.737 54.840 0.481 0.000 0.811 693 L CB 1.527 43.763 42.059 0.295 0.000 1.249 693 L HN 0.125 nan 8.230 nan 0.000 0.431 694 L N 2.884 124.406 121.223 0.499 0.000 2.559 694 L HA -0.081 4.259 4.340 -0.001 0.000 0.282 694 L C 0.968 177.909 176.870 0.118 0.000 1.232 694 L CA 1.143 56.027 54.840 0.074 0.000 0.885 694 L CB 0.078 42.191 42.059 0.090 0.000 1.131 694 L HN 0.731 nan 8.230 nan 0.000 0.498 695 K N 1.256 121.629 120.400 -0.045 0.000 2.443 695 K HA 0.233 4.552 4.320 -0.001 0.000 0.200 695 K C -0.316 176.232 176.600 -0.086 0.000 1.278 695 K CA 0.586 56.872 56.287 -0.002 0.000 0.925 695 K CB 0.528 33.017 32.500 -0.017 0.000 1.225 695 K HN 0.802 nan 8.250 nan 0.000 0.514 696 S N -0.314 115.305 115.700 -0.135 0.000 2.567 696 S HA 0.497 4.966 4.470 -0.001 0.000 0.270 696 S C -1.070 173.466 174.600 -0.107 0.000 1.152 696 S CA -1.022 57.119 58.200 -0.098 0.000 0.835 696 S CB 1.320 64.508 63.200 -0.019 0.000 1.115 696 S HN 0.101 nan 8.310 nan 0.000 0.459 697 I N 1.559 122.081 120.570 -0.079 0.000 2.436 697 I HA 0.461 4.630 4.170 -0.001 0.000 0.289 697 I C -0.466 175.611 176.117 -0.067 0.000 1.010 697 I CA -0.386 60.869 61.300 -0.075 0.000 1.098 697 I CB 2.080 40.029 38.000 -0.086 0.000 1.266 697 I HN 0.771 nan 8.210 nan 0.000 0.434 698 Q N 6.177 125.931 119.800 -0.076 0.000 2.368 698 Q HA 0.408 4.747 4.340 -0.001 0.000 0.263 698 Q C -0.005 175.932 176.000 -0.105 0.000 1.009 698 Q CA -0.526 55.181 55.803 -0.160 0.000 0.818 698 Q CB 1.540 30.092 28.738 -0.310 0.000 1.239 698 Q HN 0.776 nan 8.270 nan 0.000 0.464 699 L N 2.162 123.328 121.223 -0.096 0.000 2.046 699 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 699 L C 1.149 177.985 176.870 -0.056 0.000 1.077 699 L CA 1.457 56.258 54.840 -0.065 0.000 0.747 699 L CB -0.314 41.709 42.059 -0.061 0.000 0.896 699 L HN 0.716 nan 8.230 nan 0.000 0.432 700 T N -6.605 107.907 114.554 -0.070 0.000 2.838 700 T HA 0.211 4.560 4.350 -0.001 0.000 0.292 700 T C 0.550 175.212 174.700 -0.063 0.000 1.113 700 T CA -0.870 61.198 62.100 -0.052 0.000 1.008 700 T CB 1.728 70.570 68.868 -0.043 0.000 1.259 700 T HN -0.130 nan 8.240 nan 0.000 0.520 701 Q N 1.053 120.830 119.800 -0.039 0.000 2.082 701 Q HA -0.203 4.136 4.340 -0.001 0.000 0.211 701 Q C 1.834 177.806 176.000 -0.047 0.000 1.002 701 Q CA 2.657 58.441 55.803 -0.031 0.000 0.868 701 Q CB -0.452 28.279 28.738 -0.011 0.000 0.931 701 Q HN 0.927 nan 8.270 nan 0.000 0.414 702 D N -0.190 120.182 120.400 -0.046 0.000 2.249 702 D HA -0.049 4.590 4.640 -0.001 0.000 0.205 702 D C 0.851 177.109 176.300 -0.069 0.000 0.962 702 D CA 0.520 54.495 54.000 -0.042 0.000 0.860 702 D CB -0.226 40.557 40.800 -0.027 0.000 0.955 702 D HN 0.097 nan 8.370 nan 0.000 0.505 703 S N 0.945 116.587 115.700 -0.096 0.000 2.596 703 S HA 0.349 4.818 4.470 -0.001 0.000 0.260 703 S C -2.533 171.967 174.600 -0.166 0.000 1.336 703 S CA -1.123 57.014 58.200 -0.106 0.000 0.993 703 S CB 0.558 63.700 63.200 -0.097 0.000 0.923 703 S HN -0.101 nan 8.310 nan 0.000 0.567 704 P HA 0.162 nan 4.420 nan 0.000 0.272 704 P C -0.539 176.649 177.300 -0.187 0.000 1.223 704 P CA -0.174 62.865 63.100 -0.102 0.000 0.784 704 P CB 0.136 31.820 31.700 -0.028 0.000 0.923 705 H N 0.952 120.007 119.070 -0.026 0.000 3.205 705 H HA 0.110 4.665 4.556 -0.001 0.000 0.262 705 H C -0.100 175.196 175.328 -0.054 0.000 1.333 705 H CA -0.231 55.793 56.048 -0.041 0.000 1.499 705 H CB -0.373 29.368 29.762 -0.036 0.000 1.609 705 H HN 0.117 nan 8.280 nan 0.000 0.498 706 V N 6.656 126.566 119.914 -0.006 0.000 2.479 706 V HA 0.038 4.157 4.120 -0.001 0.000 0.281 706 V C -1.848 174.197 176.094 -0.083 0.000 1.031 706 V CA -1.458 60.816 62.300 -0.043 0.000 1.038 706 V CB 0.561 32.346 31.823 -0.063 0.000 0.981 706 V HN 0.512 nan 8.190 nan 0.000 0.478 707 P HA 0.160 nan 4.420 nan 0.000 0.265 707 P C -0.795 176.359 177.300 -0.243 0.000 1.222 707 P CA 0.293 63.255 63.100 -0.230 0.000 0.767 707 P CB 0.422 31.845 31.700 -0.460 0.000 0.801 708 V N 4.236 124.039 119.914 -0.186 0.000 2.509 708 V HA 0.240 4.359 4.120 -0.001 0.000 0.289 708 V C -0.729 175.264 176.094 -0.167 0.000 1.026 708 V CA -0.464 61.711 62.300 -0.209 0.000 0.872 708 V CB 1.230 32.917 31.823 -0.228 0.000 1.017 708 V HN 0.531 nan 8.190 nan 0.000 0.436 709 H N 4.232 123.140 119.070 -0.271 0.000 2.505 709 H HA 0.646 5.201 4.556 -0.001 0.000 0.338 709 H C -1.212 173.976 175.328 -0.234 0.000 1.057 709 H CA -0.865 55.068 56.048 -0.192 0.000 1.202 709 H CB 1.196 30.890 29.762 -0.113 0.000 1.466 709 H HN 0.454 nan 8.280 nan 0.000 0.499 710 F N 4.130 123.782 119.950 -0.496 0.000 2.412 710 F HA 0.315 4.842 4.527 -0.001 0.000 0.348 710 F C 0.490 175.775 175.800 -0.859 0.000 1.102 710 F CA -0.068 57.593 58.000 -0.565 0.000 1.196 710 F CB 0.853 39.623 39.000 -0.383 0.000 1.144 710 F HN 0.379 nan 8.300 nan 0.000 0.541 711 K N 3.899 124.033 120.400 -0.443 0.000 2.501 711 K HA 0.443 4.762 4.320 -0.001 0.000 0.252 711 K C -1.891 174.470 176.600 -0.398 0.000 0.934 711 K CA -0.608 55.475 56.287 -0.339 0.000 0.797 711 K CB 1.309 33.694 32.500 -0.193 0.000 1.270 711 K HN 0.426 nan 8.250 nan 0.000 0.431 712 F N 4.432 124.311 119.950 -0.118 0.000 2.427 712 F HA 0.454 4.980 4.527 -0.001 0.000 0.346 712 F C -0.326 175.434 175.800 -0.067 0.000 1.120 712 F CA -0.576 57.367 58.000 -0.095 0.000 1.033 712 F CB 1.054 39.983 39.000 -0.120 0.000 1.126 712 F HN 0.246 nan 8.300 nan 0.000 0.462 713 L N 2.916 124.183 121.223 0.073 0.000 2.257 713 L HA 0.642 4.982 4.340 -0.001 0.000 0.257 713 L C -1.026 175.835 176.870 -0.016 0.000 1.033 713 L CA -1.032 53.800 54.840 -0.014 0.000 0.835 713 L CB 2.121 44.110 42.059 -0.118 0.000 1.398 713 L HN 0.487 nan 8.230 nan 0.000 0.429 714 K N -0.441 119.908 120.400 -0.085 0.000 2.427 714 K HA 0.615 4.935 4.320 -0.001 0.000 0.252 714 K C -1.801 174.729 176.600 -0.117 0.000 0.931 714 K CA -0.750 55.515 56.287 -0.037 0.000 0.793 714 K CB 1.623 34.138 32.500 0.025 0.000 1.211 714 K HN 0.317 nan 8.250 nan 0.000 0.426 715 Y N 0.795 121.153 120.300 0.098 0.000 2.352 715 Y HA 0.485 5.034 4.550 -0.001 0.000 0.326 715 Y C 1.054 177.010 175.900 0.092 0.000 1.166 715 Y CA -0.086 58.085 58.100 0.118 0.000 1.182 715 Y CB 2.184 40.781 38.460 0.228 0.000 1.216 715 Y HN 0.926 nan 8.280 nan 0.000 0.474 716 G N 0.731 109.669 108.800 0.231 0.000 2.857 716 G HA2 0.629 4.588 3.960 -0.001 0.000 0.217 716 G HA3 0.629 4.588 3.960 -0.001 0.000 0.217 716 G C -1.337 173.632 174.900 0.114 0.000 1.357 716 G CA -0.672 44.510 45.100 0.137 0.000 1.033 716 G HN 0.434 nan 8.290 nan 0.000 0.571 717 V N -0.354 119.593 119.914 0.055 0.000 2.914 717 V HA 0.475 4.594 4.120 -0.001 0.000 0.314 717 V C -0.138 175.936 176.094 -0.032 0.000 1.084 717 V CA -0.896 61.413 62.300 0.015 0.000 0.963 717 V CB 2.029 33.866 31.823 0.024 0.000 1.025 717 V HN 0.674 nan 8.190 nan 0.000 0.432 718 R N 1.132 121.584 120.500 -0.079 0.000 2.491 718 R HA 0.210 4.549 4.340 -0.001 0.000 0.283 718 R C 1.173 177.384 176.300 -0.149 0.000 1.072 718 R CA 0.419 56.423 56.100 -0.159 0.000 1.048 718 R CB 0.617 30.788 30.300 -0.216 0.000 0.983 718 R HN 0.915 nan 8.270 nan 0.000 0.450 719 S N 1.204 116.789 115.700 -0.191 0.000 2.501 719 S HA -0.036 4.434 4.470 -0.001 0.000 0.220 719 S C 0.210 174.816 174.600 0.009 0.000 0.997 719 S CA 0.126 58.292 58.200 -0.057 0.000 0.919 719 S CB -0.348 62.868 63.200 0.026 0.000 0.778 719 S HN 0.835 nan 8.310 nan 0.000 0.523 720 H N -2.561 116.510 119.070 0.001 0.000 3.008 720 H HA 0.766 5.322 4.556 -0.001 0.000 0.354 720 H C 0.419 175.744 175.328 -0.006 0.000 1.252 720 H CA -0.589 55.458 56.048 -0.002 0.000 1.117 720 H CB 0.807 30.567 29.762 -0.002 0.000 1.857 720 H HN 0.401 nan 8.280 nan 0.000 0.547 721 G N 0.307 109.168 108.800 0.102 0.000 2.632 721 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.224 721 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.224 721 G C -1.226 173.666 174.900 -0.014 0.000 1.341 721 G CA -0.224 44.900 45.100 0.040 0.000 0.880 721 G HN 0.865 nan 8.290 nan 0.000 0.566 722 D N 1.033 121.415 120.400 -0.029 0.000 2.350 722 D HA 0.557 5.196 4.640 -0.001 0.000 0.249 722 D C 0.934 177.205 176.300 -0.048 0.000 1.119 722 D CA 0.211 54.190 54.000 -0.036 0.000 0.886 722 D CB 0.930 41.708 40.800 -0.037 0.000 1.195 722 D HN 0.459 nan 8.370 nan 0.000 0.437 723 R N 0.508 120.986 120.500 -0.036 0.000 2.428 723 R HA 0.348 4.687 4.340 -0.001 0.000 0.294 723 R C -0.020 176.266 176.300 -0.022 0.000 1.000 723 R CA -0.477 55.606 56.100 -0.028 0.000 0.960 723 R CB 1.033 31.327 30.300 -0.011 0.000 1.076 723 R HN 0.222 nan 8.270 nan 0.000 0.475 724 S N 0.516 116.212 115.700 -0.007 0.000 2.560 724 S HA 0.448 4.918 4.470 -0.001 0.000 0.284 724 S C 0.399 175.016 174.600 0.029 0.000 1.327 724 S CA 0.300 58.513 58.200 0.021 0.000 1.055 724 S CB 0.989 64.233 63.200 0.073 0.000 0.868 724 S HN 0.739 nan 8.310 nan 0.000 0.506 725 G N 0.317 109.137 108.800 0.033 0.000 3.085 725 G HA2 0.596 4.556 3.960 -0.001 0.000 0.264 725 G HA3 0.596 4.556 3.960 -0.001 0.000 0.264 725 G C 0.669 175.596 174.900 0.044 0.000 1.206 725 G CA -0.093 45.036 45.100 0.049 0.000 0.809 725 G HN 0.702 nan 8.290 nan 0.000 0.592 726 A N -1.301 121.533 122.820 0.024 0.000 1.972 726 A HA 0.090 4.410 4.320 -0.001 0.000 0.219 726 A C 1.924 179.427 177.584 -0.135 0.000 1.169 726 A CA 1.873 53.866 52.037 -0.074 0.000 0.635 726 A CB -0.592 18.305 19.000 -0.173 0.000 0.810 726 A HN 0.571 nan 8.150 nan 0.000 0.446 727 Y N -0.771 119.477 120.300 -0.086 0.000 2.314 727 Y HA 0.344 4.894 4.550 -0.001 0.000 0.294 727 Y C 0.858 176.656 175.900 -0.170 0.000 1.139 727 Y CA -0.060 57.919 58.100 -0.203 0.000 1.162 727 Y CB -0.184 37.816 38.460 -0.766 0.000 1.121 727 Y HN 0.003 nan 8.280 nan 0.000 0.529 728 L N 0.875 122.062 121.223 -0.061 0.000 2.305 728 L HA 0.172 4.512 4.340 -0.001 0.000 0.281 728 L C -0.887 176.031 176.870 0.080 0.000 1.085 728 L CA -0.226 54.575 54.840 -0.065 0.000 0.813 728 L CB 0.827 42.794 42.059 -0.153 0.000 1.157 728 L HN 0.136 nan 8.230 nan 0.000 0.436 729 F N 5.294 125.187 119.950 -0.095 0.000 2.332 729 F HA 0.454 4.980 4.527 -0.001 0.000 0.368 729 F C -0.545 175.176 175.800 -0.132 0.000 1.110 729 F CA -0.739 57.165 58.000 -0.160 0.000 1.087 729 F CB 0.564 39.400 39.000 -0.274 0.000 1.235 729 F HN 0.323 nan 8.300 nan 0.000 0.470 730 L N 9.007 130.080 121.223 -0.249 0.000 2.495 730 L HA 0.349 4.689 4.340 -0.001 0.000 0.248 730 L C -2.291 174.365 176.870 -0.356 0.000 1.229 730 L CA -1.951 52.696 54.840 -0.321 0.000 0.942 730 L CB 0.787 42.761 42.059 -0.141 0.000 1.242 730 L HN 0.422 nan 8.230 nan 0.000 0.484 731 P HA 0.032 nan 4.420 nan 0.000 0.272 731 P C -0.429 176.778 177.300 -0.155 0.000 1.223 731 P CA -0.285 62.605 63.100 -0.349 0.000 0.784 731 P CB 0.582 31.968 31.700 -0.523 0.000 0.923 732 N N 1.205 119.885 118.700 -0.032 0.000 3.052 732 N HA 0.266 5.005 4.740 -0.001 0.000 0.302 732 N C 0.651 176.167 175.510 0.010 0.000 1.332 732 N CA -0.152 52.880 53.050 -0.031 0.000 1.129 732 N CB -0.830 37.643 38.487 -0.024 0.000 1.436 732 N HN 0.731 nan 8.380 nan 0.000 0.536 733 G N 0.523 109.329 108.800 0.011 0.000 2.592 733 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.684 733 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.684 733 G C -3.084 171.892 174.900 0.127 0.000 1.291 733 G CA -1.094 44.031 45.100 0.041 0.000 0.891 733 G HN 0.343 nan 8.290 nan 0.000 0.544 734 P HA 0.466 nan 4.420 nan 0.000 0.269 734 P C 0.469 177.744 177.300 -0.043 0.000 1.217 734 P CA 0.631 63.802 63.100 0.119 0.000 0.783 734 P CB 0.416 32.149 31.700 0.055 0.000 0.898 735 A N 1.836 124.445 122.820 -0.352 0.000 2.386 735 A HA 0.433 4.752 4.320 -0.001 0.000 0.248 735 A C 0.114 177.549 177.584 -0.250 0.000 1.082 735 A CA 0.198 51.858 52.037 -0.628 0.000 0.789 735 A CB -0.234 18.102 19.000 -1.107 0.000 1.025 735 A HN 0.491 nan 8.150 nan 0.000 0.490 736 S N 2.108 117.703 115.700 -0.175 0.000 2.537 736 S HA 0.611 5.080 4.470 -0.001 0.000 0.301 736 S C -2.793 171.771 174.600 -0.060 0.000 1.092 736 S CA -1.186 56.966 58.200 -0.080 0.000 1.048 736 S CB 1.316 64.491 63.200 -0.041 0.000 1.053 736 S HN 0.560 nan 8.310 nan 0.000 0.501 737 P HA 0.112 nan 4.420 nan 0.000 0.268 737 P C -0.702 176.607 177.300 0.014 0.000 1.204 737 P CA -0.323 62.778 63.100 0.002 0.000 0.768 737 P CB 0.260 31.972 31.700 0.020 0.000 0.842 738 V N 3.916 123.851 119.914 0.035 0.000 2.540 738 V HA -0.059 4.061 4.120 -0.001 0.000 0.297 738 V C 1.066 177.179 176.094 0.031 0.000 1.024 738 V CA 0.398 62.718 62.300 0.033 0.000 1.105 738 V CB -0.425 31.424 31.823 0.045 0.000 0.938 738 V HN 0.533 nan 8.190 nan 0.000 0.482 739 E N 4.307 124.520 120.200 0.021 0.000 2.220 739 E HA 0.096 4.446 4.350 -0.001 0.000 0.272 739 E C 0.568 177.180 176.600 0.020 0.000 1.099 739 E CA -0.131 56.283 56.400 0.023 0.000 0.907 739 E CB 0.652 30.364 29.700 0.019 0.000 1.022 739 E HN 0.569 nan 8.360 nan 0.000 0.428 740 L N 2.963 124.204 121.223 0.029 0.000 2.375 740 L HA 0.090 4.429 4.340 -0.001 0.000 0.215 740 L C 1.427 178.315 176.870 0.030 0.000 1.108 740 L CA 0.464 55.319 54.840 0.024 0.000 0.830 740 L CB -0.620 41.464 42.059 0.041 0.000 0.959 740 L HN 0.845 nan 8.230 nan 0.000 0.457 741 G N 0.690 109.511 108.800 0.034 0.000 2.566 741 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.280 741 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.280 741 G C 0.074 175.001 174.900 0.044 0.000 1.225 741 G CA 0.263 45.385 45.100 0.038 0.000 0.966 741 G HN 0.363 nan 8.290 nan 0.000 0.560 742 Q N 1.722 121.551 119.800 0.048 0.000 2.626 742 Q HA 0.473 4.812 4.340 -0.001 0.000 0.239 742 Q C -2.062 173.978 176.000 0.065 0.000 1.101 742 Q CA -1.628 54.207 55.803 0.054 0.000 0.918 742 Q CB 0.988 29.755 28.738 0.048 0.000 1.151 742 Q HN 0.596 nan 8.270 nan 0.000 0.531 743 P HA 0.035 nan 4.420 nan 0.000 0.272 743 P C -0.570 176.796 177.300 0.110 0.000 1.223 743 P CA -0.276 62.873 63.100 0.082 0.000 0.784 743 P CB 1.037 32.767 31.700 0.049 0.000 0.923 744 V N 2.325 122.341 119.914 0.171 0.000 2.488 744 V HA 0.113 4.232 4.120 -0.001 0.000 0.277 744 V C 0.499 176.739 176.094 0.245 0.000 1.046 744 V CA -0.251 62.172 62.300 0.204 0.000 0.986 744 V CB 1.180 33.160 31.823 0.262 0.000 0.989 744 V HN 0.253 nan 8.190 nan 0.000 0.475 745 V N 6.554 126.555 119.914 0.145 0.000 2.417 745 V HA 0.453 4.572 4.120 -0.001 0.000 0.291 745 V C -0.358 175.753 176.094 0.027 0.000 1.024 745 V CA -0.605 61.754 62.300 0.099 0.000 0.861 745 V CB 1.617 33.461 31.823 0.036 0.000 0.985 745 V HN 0.673 nan 8.190 nan 0.000 0.436 746 L N 6.856 128.096 121.223 0.028 0.000 2.305 746 L HA 0.712 5.051 4.340 -0.001 0.000 0.284 746 L C -0.544 176.213 176.870 -0.188 0.000 1.013 746 L CA 0.047 54.777 54.840 -0.182 0.000 0.819 746 L CB 1.719 43.569 42.059 -0.348 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 4.081 123.872 119.914 -0.205 0.000 2.370 747 V HA 0.552 4.672 4.120 -0.001 0.000 0.283 747 V C 0.058 176.077 176.094 -0.124 0.000 1.023 747 V CA -0.402 61.801 62.300 -0.161 0.000 0.857 747 V CB 1.519 33.267 31.823 -0.126 0.000 0.985 747 V HN 0.846 nan 8.190 nan 0.000 0.443 748 T N 5.346 119.857 114.554 -0.072 0.000 2.792 748 T HA 0.441 4.791 4.350 -0.001 0.000 0.280 748 T C -0.420 174.307 174.700 0.044 0.000 0.990 748 T CA -0.588 61.525 62.100 0.021 0.000 0.960 748 T CB 1.176 70.093 68.868 0.082 0.000 0.939 748 T HN 0.651 nan 8.240 nan 0.000 0.439 749 K N 2.362 122.807 120.400 0.075 0.000 2.450 749 K HA 0.670 4.990 4.320 -0.001 0.000 0.257 749 K C -0.421 176.241 176.600 0.103 0.000 0.953 749 K CA -0.577 55.757 56.287 0.077 0.000 0.844 749 K CB 1.067 33.606 32.500 0.065 0.000 1.103 749 K HN 0.802 nan 8.250 nan 0.000 0.429 750 G N 2.147 111.005 108.800 0.096 0.000 2.658 750 G HA2 0.171 4.131 3.960 -0.001 0.000 0.292 750 G HA3 0.171 4.131 3.960 -0.001 0.000 0.292 750 G C -0.121 174.825 174.900 0.077 0.000 1.320 750 G CA -0.589 44.569 45.100 0.096 0.000 0.933 750 G HN 0.652 nan 8.290 nan 0.000 0.476 751 K N -0.208 120.233 120.400 0.069 0.000 2.097 751 K HA 0.079 4.399 4.320 -0.001 0.000 0.205 751 K C 1.736 178.372 176.600 0.060 0.000 1.050 751 K CA 1.028 57.351 56.287 0.061 0.000 0.938 751 K CB -0.153 32.379 32.500 0.054 0.000 0.718 751 K HN 0.451 nan 8.250 nan 0.000 0.442 752 L N -0.609 120.651 121.223 0.061 0.000 2.253 752 L HA 0.181 4.521 4.340 -0.001 0.000 0.205 752 L C 0.726 177.630 176.870 0.057 0.000 1.078 752 L CA 0.225 55.100 54.840 0.059 0.000 0.805 752 L CB 0.283 42.379 42.059 0.061 0.000 0.963 752 L HN 0.171 nan 8.230 nan 0.000 0.459 753 E N -0.247 119.992 120.200 0.065 0.000 2.304 753 E HA 0.388 4.737 4.350 -0.001 0.000 0.277 753 E C -1.456 175.189 176.600 0.075 0.000 0.898 753 E CA -0.229 56.211 56.400 0.066 0.000 0.764 753 E CB 2.095 31.831 29.700 0.061 0.000 1.216 753 E HN -0.097 nan 8.360 nan 0.000 0.419 754 S N 1.303 117.046 115.700 0.071 0.000 2.638 754 S HA 0.782 5.252 4.470 -0.001 0.000 0.302 754 S C -1.158 173.471 174.600 0.047 0.000 1.096 754 S CA -0.733 57.506 58.200 0.064 0.000 0.953 754 S CB 1.764 65.005 63.200 0.068 0.000 1.107 754 S HN 0.611 nan 8.310 nan 0.000 0.503 755 S N -0.259 115.446 115.700 0.008 0.000 2.565 755 S HA 0.734 5.204 4.470 -0.001 0.000 0.269 755 S C -1.668 172.842 174.600 -0.150 0.000 1.153 755 S CA -0.760 57.416 58.200 -0.039 0.000 0.835 755 S CB 1.047 64.243 63.200 -0.007 0.000 1.122 755 S HN 0.457 nan 8.310 nan 0.000 0.462 756 V N 1.944 121.702 119.914 -0.261 0.000 2.444 756 V HA 0.709 4.828 4.120 -0.001 0.000 0.294 756 V C -0.461 175.492 176.094 -0.235 0.000 1.022 756 V CA -0.403 61.672 62.300 -0.375 0.000 0.850 756 V CB 1.491 32.771 31.823 -0.905 0.000 0.992 756 V HN 0.984 nan 8.190 nan 0.000 0.426 757 S N 3.340 118.958 115.700 -0.136 0.000 2.513 757 S HA 0.789 5.258 4.470 -0.001 0.000 0.299 757 S C -0.760 173.768 174.600 -0.120 0.000 1.087 757 S CA -0.643 57.482 58.200 -0.125 0.000 1.012 757 S CB 2.169 65.387 63.200 0.031 0.000 1.044 757 S HN 0.643 nan 8.310 nan 0.000 0.485 758 V N 1.977 121.704 119.914 -0.311 0.000 2.760 758 V HA 0.796 4.915 4.120 -0.001 0.000 0.309 758 V C -0.059 175.679 176.094 -0.594 0.000 1.077 758 V CA -0.430 61.701 62.300 -0.281 0.000 0.910 758 V CB 1.781 33.571 31.823 -0.056 0.000 1.008 758 V HN 1.000 nan 8.190 nan 0.000 0.424 759 G N 7.053 115.527 108.800 -0.544 0.000 2.663 759 G HA2 0.532 4.492 3.960 -0.001 0.000 0.320 759 G HA3 0.532 4.492 3.960 -0.001 0.000 0.320 759 G C -0.544 174.252 174.900 -0.175 0.000 0.937 759 G CA -0.328 44.513 45.100 -0.432 0.000 1.332 759 G HN 0.695 nan 8.290 nan 0.000 0.461 760 L N 2.665 123.738 121.223 -0.250 0.000 2.387 760 L HA 0.405 4.744 4.340 -0.001 0.000 0.266 760 L C -2.013 174.748 176.870 -0.181 0.000 1.059 760 L CA -2.366 52.351 54.840 -0.206 0.000 0.801 760 L CB 1.810 43.667 42.059 -0.337 0.000 1.223 760 L HN 0.206 nan 8.230 nan 0.000 0.456 761 P HA 0.094 nan 4.420 nan 0.000 0.266 761 P C 0.018 177.221 177.300 -0.162 0.000 1.215 761 P CA 0.407 63.433 63.100 -0.122 0.000 0.763 761 P CB 1.033 32.686 31.700 -0.078 0.000 0.806 762 S N 0.028 115.633 115.700 -0.157 0.000 2.596 762 S HA -0.098 4.372 4.470 -0.001 0.000 0.260 762 S C 0.159 174.646 174.600 -0.188 0.000 1.282 762 S CA 1.143 59.256 58.200 -0.145 0.000 1.357 762 S CB -1.385 61.754 63.200 -0.101 0.000 1.674 762 S HN 0.391 nan 8.310 nan 0.000 0.641 763 V N 1.383 121.131 119.914 -0.276 0.000 2.655 763 V HA 0.451 4.570 4.120 -0.001 0.000 0.301 763 V C -0.305 175.559 176.094 -0.383 0.000 1.082 763 V CA -0.812 61.278 62.300 -0.351 0.000 0.899 763 V CB 2.093 33.550 31.823 -0.611 0.000 1.014 763 V HN 0.106 nan 8.190 nan 0.000 0.429 764 V N 3.955 123.654 119.914 -0.359 0.000 2.353 764 V HA 0.316 4.436 4.120 -0.001 0.000 0.264 764 V C -0.112 175.764 176.094 -0.362 0.000 1.049 764 V CA -0.348 61.641 62.300 -0.518 0.000 0.896 764 V CB 0.610 32.017 31.823 -0.694 0.000 1.025 764 V HN 0.937 nan 8.190 nan 0.000 0.475 765 H N 4.406 123.212 119.070 -0.440 0.000 2.488 765 H HA 0.576 5.132 4.556 -0.001 0.000 0.322 765 H C -0.364 174.834 175.328 -0.216 0.000 1.078 765 H CA -0.138 55.750 56.048 -0.267 0.000 1.260 765 H CB 1.122 30.754 29.762 -0.217 0.000 1.425 765 H HN 0.689 nan 8.280 nan 0.000 0.471 766 Q N 4.008 123.474 119.800 -0.555 0.000 2.304 766 Q HA 0.366 4.705 4.340 -0.001 0.000 0.270 766 Q C -1.312 174.468 176.000 -0.366 0.000 1.035 766 Q CA -0.899 54.678 55.803 -0.375 0.000 0.781 766 Q CB 1.553 30.178 28.738 -0.189 0.000 1.261 766 Q HN 0.742 nan 8.270 nan 0.000 0.444 767 T N 5.106 119.530 114.554 -0.215 0.000 2.772 767 T HA 0.504 4.853 4.350 -0.001 0.000 0.288 767 T C -0.323 174.403 174.700 0.044 0.000 0.994 767 T CA -0.307 61.791 62.100 -0.004 0.000 0.951 767 T CB 0.177 69.221 68.868 0.293 0.000 0.933 767 T HN 0.459 nan 8.240 nan 0.000 0.447 768 I N 3.812 124.418 120.570 0.062 0.000 2.377 768 I HA 0.498 4.667 4.170 -0.001 0.000 0.293 768 I C -0.136 176.036 176.117 0.091 0.000 0.987 768 I CA -0.751 60.586 61.300 0.062 0.000 1.185 768 I CB 1.607 39.632 38.000 0.041 0.000 1.341 768 I HN 0.380 nan 8.210 nan 0.000 0.455 769 M N 5.864 125.518 119.600 0.090 0.000 2.321 769 M HA 0.485 4.965 4.480 -0.001 0.000 0.315 769 M C 0.164 176.506 176.300 0.070 0.000 1.052 769 M CA -0.295 55.062 55.300 0.094 0.000 0.936 769 M CB 2.216 34.888 32.600 0.120 0.000 1.639 769 M HN 0.478 nan 8.290 nan 0.000 0.433 770 R N 1.086 121.622 120.500 0.059 0.000 2.549 770 R HA 0.353 4.692 4.340 -0.001 0.000 0.361 770 R C 0.683 177.011 176.300 0.045 0.000 0.969 770 R CA 0.208 56.337 56.100 0.048 0.000 1.158 770 R CB 1.201 31.521 30.300 0.034 0.000 1.456 770 R HN 1.128 nan 8.270 nan 0.000 0.540 771 G N -0.027 108.802 108.800 0.049 0.000 2.184 771 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.206 771 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.206 771 G C 0.203 175.123 174.900 0.034 0.000 0.995 771 G CA -0.341 44.784 45.100 0.042 0.000 0.651 771 G HN 0.541 nan 8.290 nan 0.000 0.511 772 G N -0.399 108.422 108.800 0.035 0.000 3.247 772 G HA2 0.813 4.773 3.960 -0.001 0.000 0.199 772 G HA3 0.813 4.773 3.960 -0.001 0.000 0.199 772 G C 0.389 175.308 174.900 0.033 0.000 1.172 772 G CA 0.435 45.551 45.100 0.027 0.000 0.844 772 G HN 1.581 nan 8.290 nan 0.000 0.619 773 A N 1.597 124.434 122.820 0.028 0.000 2.546 773 A HA 0.519 4.838 4.320 -0.001 0.000 0.243 773 A C -1.740 175.881 177.584 0.062 0.000 1.063 773 A CA -0.459 51.601 52.037 0.038 0.000 0.757 773 A CB -0.501 18.518 19.000 0.032 0.000 0.991 773 A HN 0.380 nan 8.150 nan 0.000 0.503 774 P HA 0.091 nan 4.420 nan 0.000 0.269 774 P C -0.416 176.956 177.300 0.119 0.000 1.215 774 P CA -0.097 63.070 63.100 0.111 0.000 0.780 774 P CB 0.603 32.393 31.700 0.150 0.000 0.898 775 E N 1.594 121.859 120.200 0.108 0.000 2.175 775 E HA 0.362 4.712 4.350 -0.001 0.000 0.278 775 E C -0.750 175.920 176.600 0.116 0.000 0.969 775 E CA -0.717 55.748 56.400 0.109 0.000 0.796 775 E CB 0.515 30.256 29.700 0.068 0.000 1.104 775 E HN 0.202 nan 8.360 nan 0.000 0.395 776 I N 4.210 124.880 120.570 0.167 0.000 2.377 776 I HA 0.408 4.578 4.170 -0.001 0.000 0.293 776 I C 0.020 176.239 176.117 0.170 0.000 0.987 776 I CA -0.610 60.760 61.300 0.116 0.000 1.185 776 I CB 1.264 39.335 38.000 0.119 0.000 1.341 776 I HN 0.579 nan 8.210 nan 0.000 0.455 777 R N 4.618 125.143 120.500 0.042 0.000 2.561 777 R HA 0.481 4.821 4.340 -0.001 0.000 0.297 777 R C -0.970 175.359 176.300 0.049 0.000 0.969 777 R CA -0.844 55.301 56.100 0.075 0.000 0.879 777 R CB 2.015 32.322 30.300 0.011 0.000 1.178 777 R HN 0.458 nan 8.270 nan 0.000 0.445 778 N N 2.791 121.590 118.700 0.164 0.000 2.443 778 N HA 0.162 4.902 4.740 -0.001 0.000 0.269 778 N C -1.117 174.398 175.510 0.009 0.000 0.985 778 N CA -0.688 52.434 53.050 0.119 0.000 0.921 778 N CB 1.767 40.432 38.487 0.297 0.000 1.195 778 N HN 0.339 nan 8.380 nan 0.000 0.492 779 L N 3.835 125.007 121.223 -0.085 0.000 2.385 779 L HA 0.288 4.628 4.340 -0.001 0.000 0.285 779 L C -0.913 175.882 176.870 -0.124 0.000 1.125 779 L CA -0.303 54.469 54.840 -0.114 0.000 0.890 779 L CB 0.169 42.152 42.059 -0.127 0.000 1.251 779 L HN 0.203 nan 8.230 nan 0.000 0.445 780 V N 4.622 124.463 119.914 -0.121 0.000 2.364 780 V HA 0.348 4.467 4.120 -0.001 0.000 0.272 780 V C -0.363 175.686 176.094 -0.075 0.000 1.036 780 V CA -0.488 61.757 62.300 -0.093 0.000 0.880 780 V CB 1.231 33.023 31.823 -0.052 0.000 0.991 780 V HN 0.680 nan 8.190 nan 0.000 0.460 781 D N 4.088 124.446 120.400 -0.070 0.000 2.375 781 D HA 0.258 4.897 4.640 -0.001 0.000 0.259 781 D C 0.493 176.766 176.300 -0.045 0.000 1.235 781 D CA -0.409 53.560 54.000 -0.052 0.000 0.924 781 D CB 1.321 42.087 40.800 -0.057 0.000 1.143 781 D HN 0.464 nan 8.370 nan 0.000 0.529 782 I N 2.464 123.024 120.570 -0.017 0.000 3.334 782 I HA 0.083 4.253 4.170 -0.001 0.000 0.282 782 I C 1.368 177.478 176.117 -0.012 0.000 1.313 782 I CA 0.971 62.268 61.300 -0.005 0.000 1.396 782 I CB -0.346 37.672 38.000 0.030 0.000 1.054 782 I HN 0.625 nan 8.210 nan 0.000 0.495 783 G N 0.984 109.772 108.800 -0.021 0.000 2.634 783 G HA2 -0.439 3.520 3.960 -0.001 0.000 0.309 783 G HA3 -0.439 3.520 3.960 -0.001 0.000 0.309 783 G C 0.552 175.448 174.900 -0.007 0.000 1.265 783 G CA 0.502 45.588 45.100 -0.024 0.000 0.998 783 G HN 0.704 nan 8.290 nan 0.000 0.551 784 S N -0.319 115.376 115.700 -0.008 0.000 2.561 784 S HA 0.558 5.028 4.470 -0.001 0.000 0.245 784 S C 0.649 175.254 174.600 0.008 0.000 1.001 784 S CA -0.038 58.164 58.200 0.005 0.000 1.002 784 S CB 0.110 63.314 63.200 0.007 0.000 0.805 784 S HN 0.676 nan 8.310 nan 0.000 0.458 785 L N 2.981 124.208 121.223 0.006 0.000 2.536 785 L HA 0.282 4.622 4.340 -0.001 0.000 0.282 785 L C -0.289 176.597 176.870 0.027 0.000 1.174 785 L CA -0.281 54.567 54.840 0.013 0.000 0.989 785 L CB -0.383 41.681 42.059 0.009 0.000 1.311 785 L HN 0.164 nan 8.230 nan 0.000 0.455 786 D N 3.014 123.430 120.400 0.027 0.000 2.372 786 D HA 0.028 4.667 4.640 -0.001 0.000 0.243 786 D C 0.658 176.983 176.300 0.041 0.000 1.121 786 D CA 0.157 54.177 54.000 0.034 0.000 0.898 786 D CB 0.423 41.240 40.800 0.029 0.000 1.202 786 D HN 0.323 nan 8.370 nan 0.000 0.428 787 N N 0.460 119.188 118.700 0.048 0.000 2.725 787 N HA -0.174 4.565 4.740 -0.001 0.000 0.251 787 N C -0.936 174.618 175.510 0.073 0.000 1.031 787 N CA 0.847 53.931 53.050 0.057 0.000 0.720 787 N CB -1.196 37.318 38.487 0.044 0.000 0.930 787 N HN 0.283 nan 8.380 nan 0.000 0.543 788 T N 0.507 115.108 114.554 0.079 0.000 2.886 788 T HA 0.403 4.752 4.350 -0.001 0.000 0.292 788 T C -0.179 174.589 174.700 0.114 0.000 1.012 788 T CA -0.720 61.438 62.100 0.096 0.000 0.982 788 T CB 2.236 71.145 68.868 0.069 0.000 1.018 788 T HN 0.018 nan 8.240 nan 0.000 0.451 789 E N 2.603 122.900 120.200 0.162 0.000 2.176 789 E HA 0.439 4.788 4.350 -0.001 0.000 0.267 789 E C -0.689 176.027 176.600 0.193 0.000 0.893 789 E CA -0.654 55.841 56.400 0.159 0.000 0.761 789 E CB 2.211 31.986 29.700 0.126 0.000 1.133 789 E HN 0.502 nan 8.360 nan 0.000 0.409 790 I N 2.892 123.560 120.570 0.163 0.000 2.325 790 I HA 0.197 4.367 4.170 -0.001 0.000 0.291 790 I C -0.168 176.082 176.117 0.222 0.000 1.019 790 I CA -0.743 60.665 61.300 0.181 0.000 1.302 790 I CB 1.274 39.369 38.000 0.158 0.000 1.401 790 I HN 0.201 nan 8.210 nan 0.000 0.485 791 V N 8.215 128.259 119.914 0.217 0.000 2.581 791 V HA 0.510 4.630 4.120 -0.001 0.000 0.303 791 V C -0.411 175.722 176.094 0.064 0.000 1.041 791 V CA -0.707 61.709 62.300 0.192 0.000 0.907 791 V CB 1.978 33.971 31.823 0.283 0.000 0.994 791 V HN 0.759 nan 8.190 nan 0.000 0.442 792 M N 7.393 126.961 119.600 -0.054 0.000 2.149 792 M HA 0.578 5.058 4.480 -0.001 0.000 0.342 792 M C -0.664 175.492 176.300 -0.239 0.000 1.068 792 M CA -0.522 54.532 55.300 -0.410 0.000 0.991 792 M CB 0.751 33.050 32.600 -0.502 0.000 1.596 792 M HN 0.766 nan 8.290 nan 0.000 0.439 793 R N 4.668 125.008 120.500 -0.265 0.000 2.637 793 R HA 0.708 5.047 4.340 -0.001 0.000 0.291 793 R C -1.990 174.200 176.300 -0.184 0.000 0.963 793 R CA -0.612 55.392 56.100 -0.159 0.000 0.901 793 R CB 1.522 31.751 30.300 -0.118 0.000 1.160 793 R HN 0.817 nan 8.270 nan 0.000 0.457 794 L N 3.274 124.379 121.223 -0.196 0.000 2.313 794 L HA 0.418 4.757 4.340 -0.001 0.000 0.283 794 L C -0.506 176.252 176.870 -0.187 0.000 1.013 794 L CA -0.386 54.274 54.840 -0.300 0.000 0.816 794 L CB 1.938 43.778 42.059 -0.365 0.000 1.236 794 L HN 0.607 nan 8.230 nan 0.000 0.419 795 E N 2.191 122.296 120.200 -0.160 0.000 2.145 795 E HA 0.479 4.829 4.350 -0.001 0.000 0.270 795 E C -0.528 176.009 176.600 -0.105 0.000 0.906 795 E CA -0.419 55.939 56.400 -0.070 0.000 0.761 795 E CB 1.942 31.652 29.700 0.016 0.000 1.116 795 E HN 0.626 nan 8.360 nan 0.000 0.408 796 T N -0.914 113.592 114.554 -0.079 0.000 2.831 796 T HA 0.345 4.695 4.350 -0.001 0.000 0.287 796 T C 0.148 174.853 174.700 0.008 0.000 1.070 796 T CA -0.705 61.313 62.100 -0.136 0.000 1.010 796 T CB 1.028 69.837 68.868 -0.098 0.000 1.264 796 T HN 0.579 nan 8.240 nan 0.000 0.532 797 H N -0.697 118.362 119.070 -0.019 0.000 2.505 797 H HA 0.426 4.982 4.556 -0.001 0.000 0.286 797 H C 0.133 175.459 175.328 -0.003 0.000 1.072 797 H CA -0.649 55.393 56.048 -0.010 0.000 1.141 797 H CB 0.073 29.829 29.762 -0.009 0.000 1.550 797 H HN 0.328 nan 8.280 nan 0.000 0.547 798 I N 1.866 122.491 120.570 0.092 0.000 2.752 798 I HA -0.144 4.025 4.170 -0.001 0.000 0.289 798 I C 0.575 176.734 176.117 0.070 0.000 1.197 798 I CA 0.443 61.781 61.300 0.064 0.000 1.432 798 I CB 0.414 38.441 38.000 0.046 0.000 1.359 798 I HN 0.226 nan 8.210 nan 0.000 0.571 799 D N 4.558 124.995 120.400 0.062 0.000 2.713 799 D HA 0.036 4.675 4.640 -0.001 0.000 0.229 799 D C 1.240 177.580 176.300 0.068 0.000 1.136 799 D CA -0.027 54.007 54.000 0.057 0.000 1.010 799 D CB 0.298 41.125 40.800 0.044 0.000 1.084 799 D HN 0.542 nan 8.370 nan 0.000 0.495 800 S N 0.068 115.815 115.700 0.079 0.000 2.496 800 S HA 0.223 4.692 4.470 -0.001 0.000 0.224 800 S C 1.622 176.277 174.600 0.092 0.000 0.996 800 S CA 0.250 58.511 58.200 0.103 0.000 0.927 800 S CB -0.213 63.062 63.200 0.124 0.000 0.774 800 S HN 0.513 nan 8.310 nan 0.000 0.524 801 G N 3.251 112.093 108.800 0.069 0.000 2.596 801 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.304 801 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.304 801 G C 0.146 175.089 174.900 0.071 0.000 1.189 801 G CA 0.595 45.731 45.100 0.060 0.000 0.986 801 G HN 0.769 nan 8.290 nan 0.000 0.548 802 D N 0.316 120.762 120.400 0.077 0.000 2.424 802 D HA 0.338 4.978 4.640 -0.001 0.000 0.220 802 D C 0.664 177.051 176.300 0.144 0.000 1.150 802 D CA -0.203 53.860 54.000 0.104 0.000 0.831 802 D CB 0.184 41.031 40.800 0.079 0.000 0.981 802 D HN 0.435 nan 8.370 nan 0.000 0.500 803 I N 1.490 122.134 120.570 0.123 0.000 2.412 803 I HA 0.483 4.652 4.170 -0.001 0.000 0.296 803 I C -0.101 176.122 176.117 0.177 0.000 0.987 803 I CA -1.082 60.244 61.300 0.044 0.000 1.180 803 I CB 0.680 38.668 38.000 -0.020 0.000 1.340 803 I HN 0.005 nan 8.210 nan 0.000 0.455 804 F N 4.239 124.030 119.950 -0.265 0.000 2.715 804 F HA 0.699 5.226 4.527 -0.001 0.000 0.318 804 F C -1.993 173.477 175.800 -0.550 0.000 1.141 804 F CA -1.153 56.708 58.000 -0.231 0.000 0.950 804 F CB 1.644 40.570 39.000 -0.124 0.000 1.374 804 F HN 0.154 nan 8.300 nan 0.000 0.477 805 Y N 0.214 120.254 120.300 -0.432 0.000 2.425 805 Y HA 0.657 5.207 4.550 -0.001 0.000 0.344 805 Y C -0.036 175.652 175.900 -0.354 0.000 0.969 805 Y CA -0.812 56.900 58.100 -0.647 0.000 1.052 805 Y CB 2.395 40.083 38.460 -1.287 0.000 1.215 805 Y HN 0.854 nan 8.280 nan 0.000 0.451 806 T N -1.414 113.036 114.554 -0.173 0.000 2.906 806 T HA 0.496 4.845 4.350 -0.001 0.000 0.295 806 T C -0.993 173.528 174.700 -0.298 0.000 1.075 806 T CA -1.087 60.944 62.100 -0.117 0.000 1.005 806 T CB 2.001 70.779 68.868 -0.151 0.000 1.136 806 T HN 0.558 nan 8.240 nan 0.000 0.498 807 D N 1.019 121.085 120.400 -0.556 0.000 2.294 807 D HA 0.349 4.989 4.640 -0.001 0.000 0.250 807 D C -0.565 175.462 176.300 -0.454 0.000 1.058 807 D CA -0.806 52.679 54.000 -0.858 0.000 0.950 807 D CB 1.115 41.147 40.800 -1.281 0.000 1.158 807 D HN 0.553 nan 8.370 nan 0.000 0.453 808 L N 0.982 121.985 121.223 -0.367 0.000 2.294 808 L HA 0.222 4.561 4.340 -0.001 0.000 0.283 808 L C -0.090 176.655 176.870 -0.208 0.000 1.015 808 L CA -0.811 53.901 54.840 -0.213 0.000 0.831 808 L CB 0.373 42.374 42.059 -0.096 0.000 1.217 808 L HN 0.435 nan 8.230 nan 0.000 0.420 809 N N 2.169 120.751 118.700 -0.197 0.000 2.708 809 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 809 N C 0.975 176.256 175.510 -0.381 0.000 1.097 809 N CA 0.866 53.798 53.050 -0.197 0.000 0.710 809 N CB -1.105 37.352 38.487 -0.051 0.000 1.032 809 N HN 1.080 nan 8.380 nan 0.000 0.551 810 G N -1.564 106.997 108.800 -0.398 0.000 2.187 810 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.261 810 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.261 810 G C 0.640 175.492 174.900 -0.080 0.000 1.000 810 G CA 0.756 45.632 45.100 -0.375 0.000 0.718 810 G HN 0.513 nan 8.290 nan 0.000 0.519 811 L N -0.679 120.455 121.223 -0.148 0.000 2.467 811 L HA 0.492 4.831 4.340 -0.001 0.000 0.213 811 L C 0.995 177.751 176.870 -0.190 0.000 1.053 811 L CA 1.871 56.563 54.840 -0.247 0.000 0.847 811 L CB 0.166 41.947 42.059 -0.463 0.000 1.075 811 L HN 0.688 nan 8.230 nan 0.000 0.479 812 Q N -1.783 117.904 119.800 -0.188 0.000 2.482 812 Q HA 0.359 4.698 4.340 -0.001 0.000 0.286 812 Q C -1.685 174.198 176.000 -0.195 0.000 1.007 812 Q CA -0.756 54.998 55.803 -0.083 0.000 0.801 812 Q CB 1.165 29.913 28.738 0.017 0.000 1.455 812 Q HN -0.038 nan 8.270 nan 0.000 0.398 813 F N 1.213 121.106 119.950 -0.095 0.000 2.436 813 F HA 0.610 5.136 4.527 -0.001 0.000 0.340 813 F C -0.223 175.529 175.800 -0.080 0.000 1.113 813 F CA -0.833 57.121 58.000 -0.075 0.000 1.022 813 F CB 1.717 40.713 39.000 -0.006 0.000 1.128 813 F HN 0.530 nan 8.300 nan 0.000 0.466 814 I N 3.781 124.354 120.570 0.004 0.000 2.474 814 I HA 0.338 4.508 4.170 -0.001 0.000 0.294 814 I C -0.542 175.426 176.117 -0.248 0.000 1.005 814 I CA -0.874 60.373 61.300 -0.089 0.000 1.113 814 I CB 1.309 39.209 38.000 -0.167 0.000 1.289 814 I HN 0.503 nan 8.210 nan 0.000 0.436 815 K N 6.895 127.104 120.400 -0.318 0.000 2.379 815 K HA 0.252 4.571 4.320 -0.001 0.000 0.284 815 K C -0.819 175.324 176.600 -0.760 0.000 1.044 815 K CA -0.358 55.464 56.287 -0.776 0.000 0.974 815 K CB 0.494 32.671 32.500 -0.537 0.000 0.962 815 K HN 0.505 nan 8.250 nan 0.000 0.474 816 R N 3.253 123.122 120.500 -1.051 0.000 2.664 816 R HA 0.343 4.683 4.340 -0.001 0.000 0.286 816 R C -0.433 175.394 176.300 -0.788 0.000 0.967 816 R CA -0.766 54.665 56.100 -1.116 0.000 0.933 816 R CB 1.472 30.557 30.300 -2.026 0.000 1.146 816 R HN 0.674 nan 8.270 nan 0.000 0.468 817 R N 1.537 121.791 120.500 -0.410 0.000 2.476 817 R HA 0.286 4.626 4.340 -0.001 0.000 0.305 817 R C -0.520 175.839 176.300 0.097 0.000 0.965 817 R CA -0.681 55.348 56.100 -0.119 0.000 0.867 817 R CB 1.405 31.666 30.300 -0.065 0.000 1.176 817 R HN 0.550 nan 8.270 nan 0.000 0.447 818 R N 4.838 125.500 120.500 0.270 0.000 2.484 818 R HA 0.073 4.412 4.340 -0.001 0.000 0.293 818 R C -0.907 175.479 176.300 0.143 0.000 1.023 818 R CA 0.320 56.597 56.100 0.295 0.000 1.037 818 R CB 0.342 30.791 30.300 0.248 0.000 0.951 818 R HN 0.542 nan 8.270 nan 0.000 0.418 819 L N 5.290 126.576 121.223 0.105 0.000 2.318 819 L HA 0.215 4.554 4.340 -0.001 0.000 0.277 819 L C 0.196 177.056 176.870 -0.016 0.000 1.008 819 L CA -0.671 54.184 54.840 0.025 0.000 0.846 819 L CB 1.884 43.926 42.059 -0.028 0.000 1.220 819 L HN 0.678 nan 8.230 nan 0.000 0.423 820 D N 1.733 122.132 120.400 -0.002 0.000 2.348 820 D HA -0.123 4.517 4.640 -0.001 0.000 0.216 820 D C 1.774 178.055 176.300 -0.031 0.000 0.970 820 D CA 0.793 54.787 54.000 -0.010 0.000 0.889 820 D CB 0.368 41.172 40.800 0.007 0.000 0.912 820 D HN 0.562 nan 8.370 nan 0.000 0.524 821 K N 0.357 120.730 120.400 -0.045 0.000 2.439 821 K HA -0.018 4.302 4.320 -0.001 0.000 0.197 821 K C 0.704 177.241 176.600 -0.106 0.000 1.041 821 K CA 0.382 56.639 56.287 -0.050 0.000 0.970 821 K CB 0.239 32.724 32.500 -0.025 0.000 0.773 821 K HN 0.104 nan 8.250 nan 0.000 0.479 822 L N 2.687 123.806 121.223 -0.173 0.000 2.344 822 L HA 0.430 4.770 4.340 -0.001 0.000 0.272 822 L C -2.143 174.622 176.870 -0.175 0.000 1.035 822 L CA -2.860 51.837 54.840 -0.237 0.000 0.807 822 L CB 1.240 43.058 42.059 -0.403 0.000 1.237 822 L HN -0.010 nan 8.230 nan 0.000 0.442 823 P HA 0.005 nan 4.420 nan 0.000 0.272 823 P C 0.851 178.029 177.300 -0.204 0.000 1.240 823 P CA -0.354 62.651 63.100 -0.158 0.000 0.791 823 P CB 1.249 32.878 31.700 -0.117 0.000 0.978 824 L N 0.881 122.013 121.223 -0.152 0.000 2.051 824 L HA -0.274 4.066 4.340 -0.001 0.000 0.214 824 L C 2.524 179.320 176.870 -0.125 0.000 1.076 824 L CA 1.850 56.629 54.840 -0.102 0.000 0.758 824 L CB -0.591 41.407 42.059 -0.102 0.000 0.890 824 L HN 0.426 nan 8.230 nan 0.000 0.433 825 Q N -0.453 119.167 119.800 -0.301 0.000 2.291 825 Q HA -0.144 4.196 4.340 -0.001 0.000 0.205 825 Q C 1.946 177.857 176.000 -0.149 0.000 0.970 825 Q CA 1.408 57.069 55.803 -0.236 0.000 0.876 825 Q CB -0.514 27.998 28.738 -0.376 0.000 0.935 825 Q HN 0.586 nan 8.270 nan 0.000 0.455 826 A N 1.780 124.281 122.820 -0.530 0.000 2.014 826 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 826 A C 1.744 179.133 177.584 -0.324 0.000 1.163 826 A CA 1.009 52.569 52.037 -0.795 0.000 0.652 826 A CB -0.276 17.891 19.000 -1.388 0.000 0.808 826 A HN 0.363 nan 8.150 nan 0.000 0.449 827 N N -1.293 117.329 118.700 -0.129 0.000 2.398 827 N HA 0.032 4.772 4.740 -0.001 0.000 0.188 827 N C -0.729 174.856 175.510 0.124 0.000 1.122 827 N CA 0.202 53.292 53.050 0.066 0.000 0.866 827 N CB 0.011 38.587 38.487 0.148 0.000 0.970 827 N HN 0.468 nan 8.380 nan 0.000 0.462 828 Y N 0.369 120.618 120.300 -0.086 0.000 2.319 828 Y HA 0.152 4.702 4.550 -0.001 0.000 0.328 828 Y C -0.130 175.692 175.900 -0.130 0.000 1.133 828 Y CA 0.063 58.185 58.100 0.037 0.000 1.265 828 Y CB 0.311 38.869 38.460 0.163 0.000 1.218 828 Y HN -0.063 nan 8.280 nan 0.000 0.508 829 Y N 3.234 123.676 120.300 0.237 0.000 2.576 829 Y HA 0.428 4.977 4.550 -0.001 0.000 0.346 829 Y C -2.290 173.310 175.900 -0.501 0.000 1.018 829 Y CA -2.928 55.156 58.100 -0.027 0.000 1.050 829 Y CB 1.611 40.051 38.460 -0.034 0.000 1.280 829 Y HN 0.446 nan 8.280 nan 0.000 0.474 830 P HA 0.097 nan 4.420 nan 0.000 0.268 830 P C -0.645 176.408 177.300 -0.411 0.000 1.204 830 P CA 0.259 62.770 63.100 -0.983 0.000 0.768 830 P CB 0.466 31.497 31.700 -1.116 0.000 0.842 831 I N 5.505 125.920 120.570 -0.259 0.000 2.578 831 I HA 0.168 4.337 4.170 -0.001 0.000 0.284 831 I C -1.628 174.412 176.117 -0.129 0.000 1.156 831 I CA -2.505 58.710 61.300 -0.141 0.000 1.165 831 I CB 0.566 38.543 38.000 -0.039 0.000 1.567 831 I HN 0.208 nan 8.210 nan 0.000 0.546 832 P HA -0.077 nan 4.420 nan 0.000 0.221 832 P C 1.087 178.346 177.300 -0.068 0.000 1.150 832 P CA 1.253 64.273 63.100 -0.132 0.000 0.800 832 P CB 0.557 32.150 31.700 -0.180 0.000 0.787 833 S N -3.509 112.151 115.700 -0.066 0.000 2.560 833 S HA 0.447 4.916 4.470 -0.001 0.000 0.281 833 S C 0.567 175.240 174.600 0.121 0.000 1.075 833 S CA 0.335 58.552 58.200 0.028 0.000 1.295 833 S CB 0.286 63.519 63.200 0.054 0.000 1.156 833 S HN 0.315 nan 8.310 nan 0.000 0.627 834 G N 1.636 110.509 108.800 0.121 0.000 2.579 834 G HA2 0.571 4.530 3.960 -0.001 0.000 0.292 834 G HA3 0.571 4.530 3.960 -0.001 0.000 0.292 834 G C -1.422 173.702 174.900 0.373 0.000 1.484 834 G CA -0.475 44.825 45.100 0.334 0.000 0.813 834 G HN 0.888 nan 8.290 nan 0.000 0.515 835 M N -0.289 119.557 119.600 0.411 0.000 2.520 835 M HA 0.879 5.358 4.480 -0.001 0.000 0.280 835 M C -1.809 174.709 176.300 0.364 0.000 1.232 835 M CA -1.019 54.475 55.300 0.322 0.000 0.892 835 M CB 2.499 35.209 32.600 0.184 0.000 1.728 835 M HN 1.118 nan 8.290 nan 0.000 0.475 836 F N 1.153 121.246 119.950 0.239 0.000 2.668 836 F HA 0.909 5.436 4.527 -0.001 0.000 0.309 836 F C -1.746 174.188 175.800 0.224 0.000 1.117 836 F CA -1.213 56.872 58.000 0.142 0.000 0.951 836 F CB 1.136 40.137 39.000 0.001 0.000 1.323 836 F HN 0.772 nan 8.300 nan 0.000 0.451 837 I N -0.138 120.673 120.570 0.401 0.000 2.740 837 I HA 0.866 5.036 4.170 -0.001 0.000 0.303 837 I C -1.331 174.978 176.117 0.321 0.000 1.044 837 I CA -0.862 60.642 61.300 0.340 0.000 1.064 837 I CB 2.354 40.467 38.000 0.189 0.000 1.249 837 I HN 0.934 nan 8.210 nan 0.000 0.433 838 E N 2.199 122.572 120.200 0.289 0.000 2.433 838 E HA 0.554 4.904 4.350 -0.001 0.000 0.278 838 E C -1.950 174.732 176.600 0.136 0.000 0.976 838 E CA -0.837 55.666 56.400 0.173 0.000 0.793 838 E CB 2.263 32.047 29.700 0.141 0.000 1.311 838 E HN 0.730 nan 8.360 nan 0.000 0.460 839 D N 0.676 121.125 120.400 0.082 0.000 2.726 839 D HA 0.433 5.073 4.640 -0.001 0.000 0.241 839 D C 0.957 177.284 176.300 0.046 0.000 1.150 839 D CA -0.167 53.874 54.000 0.069 0.000 1.089 839 D CB -0.216 40.617 40.800 0.055 0.000 1.260 839 D HN 0.440 nan 8.370 nan 0.000 0.637 840 A N -0.821 122.019 122.820 0.034 0.000 2.019 840 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 840 A C 1.551 179.137 177.584 0.003 0.000 1.164 840 A CA 1.496 53.545 52.037 0.020 0.000 0.644 840 A CB -0.699 18.311 19.000 0.018 0.000 0.805 840 A HN 0.493 nan 8.150 nan 0.000 0.449 841 N N -1.785 116.916 118.700 0.002 0.000 2.460 841 N HA 0.074 4.813 4.740 -0.001 0.000 0.193 841 N C -0.418 175.079 175.510 -0.022 0.000 1.080 841 N CA 0.807 53.850 53.050 -0.011 0.000 0.869 841 N CB 0.611 39.094 38.487 -0.006 0.000 1.201 841 N HN 0.292 nan 8.380 nan 0.000 0.457 842 T N 0.635 115.181 114.554 -0.014 0.000 2.893 842 T HA 0.447 4.796 4.350 -0.001 0.000 0.293 842 T C -0.594 174.094 174.700 -0.019 0.000 1.027 842 T CA -0.642 61.444 62.100 -0.024 0.000 0.988 842 T CB 2.829 71.688 68.868 -0.015 0.000 1.043 842 T HN -0.041 nan 8.240 nan 0.000 0.461 843 R N 2.052 122.523 120.500 -0.048 0.000 2.686 843 R HA 0.720 5.059 4.340 -0.001 0.000 0.286 843 R C -1.855 174.419 176.300 -0.043 0.000 0.969 843 R CA -0.903 55.169 56.100 -0.047 0.000 0.898 843 R CB 1.222 31.425 30.300 -0.163 0.000 1.183 843 R HN 0.451 nan 8.270 nan 0.000 0.456 844 L N 2.725 123.954 121.223 0.010 0.000 2.325 844 L HA 0.492 4.831 4.340 -0.001 0.000 0.281 844 L C -1.235 175.677 176.870 0.070 0.000 1.004 844 L CA 0.099 54.941 54.840 0.003 0.000 0.823 844 L CB 2.224 44.273 42.059 -0.018 0.000 1.236 844 L HN 0.632 nan 8.230 nan 0.000 0.415 845 T N 5.773 120.350 114.554 0.038 0.000 2.792 845 T HA 0.530 4.880 4.350 -0.001 0.000 0.280 845 T C -1.024 173.745 174.700 0.116 0.000 0.990 845 T CA -0.257 61.908 62.100 0.110 0.000 0.960 845 T CB 1.289 70.153 68.868 -0.006 0.000 0.939 845 T HN 0.443 nan 8.240 nan 0.000 0.439 846 L N 5.366 126.692 121.223 0.172 0.000 2.280 846 L HA 0.540 4.880 4.340 -0.001 0.000 0.287 846 L C -1.263 175.753 176.870 0.245 0.000 1.023 846 L CA -0.669 54.281 54.840 0.183 0.000 0.819 846 L CB 0.468 42.612 42.059 0.142 0.000 1.212 846 L HN 0.406 nan 8.230 nan 0.000 0.420 847 L N 3.964 125.334 121.223 0.245 0.000 2.334 847 L HA 0.649 4.988 4.340 -0.001 0.000 0.275 847 L C 0.500 177.515 176.870 0.241 0.000 1.036 847 L CA -0.265 54.715 54.840 0.234 0.000 0.807 847 L CB 1.478 43.643 42.059 0.176 0.000 1.231 847 L HN 0.767 nan 8.230 nan 0.000 0.438 848 T N -2.324 112.320 114.554 0.150 0.000 2.908 848 T HA 0.629 4.978 4.350 -0.001 0.000 0.290 848 T C 0.629 175.279 174.700 -0.082 0.000 1.034 848 T CA -0.320 61.772 62.100 -0.014 0.000 1.010 848 T CB 1.972 70.839 68.868 -0.001 0.000 1.068 848 T HN 0.672 nan 8.240 nan 0.000 0.481 849 G N 1.120 109.797 108.800 -0.205 0.000 3.434 849 G HA2 0.426 4.385 3.960 -0.001 0.000 0.258 849 G HA3 0.426 4.385 3.960 -0.001 0.000 0.258 849 G C 0.117 174.949 174.900 -0.114 0.000 1.128 849 G CA -0.369 44.653 45.100 -0.130 0.000 0.792 849 G HN 0.942 nan 8.290 nan 0.000 0.539 850 Q N -0.103 119.622 119.800 -0.126 0.000 2.479 850 Q HA 0.306 4.646 4.340 -0.001 0.000 0.276 850 Q C -3.530 172.426 176.000 -0.073 0.000 0.989 850 Q CA -2.316 53.437 55.803 -0.083 0.000 0.864 850 Q CB 1.936 30.635 28.738 -0.064 0.000 1.444 850 Q HN -0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.423 nan 4.420 nan 0.000 0.276 851 P C -0.686 176.598 177.300 -0.027 0.000 1.235 851 P CA -0.102 62.976 63.100 -0.036 0.000 0.772 851 P CB 0.911 32.596 31.700 -0.024 0.000 0.871 852 L N 1.783 122.986 121.223 -0.033 0.000 2.403 852 L HA 0.683 5.022 4.340 -0.001 0.000 0.253 852 L C 0.755 177.640 176.870 0.025 0.000 1.045 852 L CA -1.146 53.699 54.840 0.007 0.000 0.845 852 L CB 2.143 44.193 42.059 -0.015 0.000 1.447 852 L HN 0.334 nan 8.230 nan 0.000 0.411 853 G N -0.947 107.924 108.800 0.118 0.000 2.425 853 G HA2 0.693 4.653 3.960 -0.001 0.000 0.302 853 G HA3 0.693 4.653 3.960 -0.001 0.000 0.302 853 G C -0.494 174.428 174.900 0.037 0.000 1.159 853 G CA 0.081 45.300 45.100 0.197 0.000 0.865 853 G HN 0.879 nan 8.290 nan 0.000 0.515 854 G N -1.435 107.198 108.800 -0.278 0.000 2.548 854 G HA2 0.674 4.633 3.960 -0.001 0.000 0.301 854 G HA3 0.674 4.633 3.960 -0.001 0.000 0.301 854 G C -1.192 173.231 174.900 -0.796 0.000 1.349 854 G CA 0.428 45.142 45.100 -0.643 0.000 0.792 854 G HN 1.263 nan 8.290 nan 0.000 0.481 855 S N -1.981 113.331 115.700 -0.647 0.000 2.661 855 S HA 0.722 5.191 4.470 -0.001 0.000 0.268 855 S C -1.571 172.576 174.600 -0.756 0.000 1.162 855 S CA 0.337 58.162 58.200 -0.626 0.000 0.817 855 S CB 1.324 64.220 63.200 -0.507 0.000 1.141 855 S HN 1.560 nan 8.310 nan 0.000 0.477 856 S N 1.686 116.642 115.700 -1.240 0.000 2.664 856 S HA 0.481 4.950 4.470 -0.001 0.000 0.262 856 S C 0.089 174.412 174.600 -0.462 0.000 1.229 856 S CA -0.627 57.106 58.200 -0.777 0.000 1.151 856 S CB 0.007 62.714 63.200 -0.822 0.000 1.054 856 S HN 0.582 nan 8.310 nan 0.000 0.483 857 L N 3.117 124.217 121.223 -0.205 0.000 2.591 857 L HA 0.504 4.844 4.340 -0.001 0.000 0.228 857 L C 0.821 177.676 176.870 -0.025 0.000 1.133 857 L CA 0.261 55.067 54.840 -0.057 0.000 0.880 857 L CB 0.026 42.114 42.059 0.048 0.000 1.033 857 L HN 0.714 nan 8.230 nan 0.000 0.450 858 A N -1.208 121.585 122.820 -0.046 0.000 2.605 858 A HA 0.424 4.744 4.320 -0.001 0.000 0.294 858 A C -0.474 177.104 177.584 -0.011 0.000 1.062 858 A CA -0.449 51.582 52.037 -0.011 0.000 0.682 858 A CB 1.153 20.155 19.000 0.003 0.000 1.278 858 A HN -0.137 nan 8.150 nan 0.000 0.410 859 S N -0.000 115.708 115.700 0.015 0.000 2.563 859 S HA 0.406 4.875 4.470 -0.001 0.000 0.294 859 S C 1.513 176.131 174.600 0.031 0.000 1.279 859 S CA 1.874 60.092 58.200 0.030 0.000 1.069 859 S CB -0.058 63.164 63.200 0.036 0.000 0.828 859 S HN 2.675 nan 8.310 nan 0.000 0.497 860 G N 3.438 112.260 108.800 0.036 0.000 2.179 860 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.260 860 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.260 860 G C -0.196 174.703 174.900 -0.001 0.000 0.977 860 G CA 0.439 45.560 45.100 0.036 0.000 0.641 860 G HN 0.721 nan 8.290 nan 0.000 0.533 861 E N -0.500 119.684 120.200 -0.027 0.000 2.207 861 E HA 0.769 5.118 4.350 -0.001 0.000 0.270 861 E C -0.286 176.251 176.600 -0.104 0.000 0.927 861 E CA -0.775 55.586 56.400 -0.065 0.000 0.799 861 E CB 1.940 31.602 29.700 -0.063 0.000 1.172 861 E HN 0.231 nan 8.360 nan 0.000 0.404 862 L N 1.847 123.002 121.223 -0.114 0.000 2.401 862 L HA 0.483 4.822 4.340 -0.001 0.000 0.266 862 L C -0.520 176.274 176.870 -0.126 0.000 0.991 862 L CA -0.632 54.131 54.840 -0.129 0.000 0.818 862 L CB 1.991 44.005 42.059 -0.075 0.000 1.321 862 L HN 0.665 nan 8.230 nan 0.000 0.413 863 E N 2.924 123.040 120.200 -0.140 0.000 2.408 863 E HA 0.722 5.072 4.350 -0.001 0.000 0.275 863 E C -1.548 174.994 176.600 -0.096 0.000 0.935 863 E CA -0.863 55.484 56.400 -0.087 0.000 0.775 863 E CB 3.401 33.096 29.700 -0.008 0.000 1.277 863 E HN 0.528 nan 8.360 nan 0.000 0.455 864 I N 1.951 122.504 120.570 -0.028 0.000 2.610 864 I HA 0.297 4.467 4.170 -0.001 0.000 0.289 864 I C -1.429 174.747 176.117 0.098 0.000 1.163 864 I CA -1.034 60.273 61.300 0.011 0.000 1.044 864 I CB 1.943 39.956 38.000 0.021 0.000 1.251 864 I HN 0.775 nan 8.210 nan 0.000 0.424 865 M N 6.267 125.963 119.600 0.160 0.000 2.238 865 M HA 0.219 4.699 4.480 -0.001 0.000 0.347 865 M C 0.628 177.029 176.300 0.168 0.000 1.173 865 M CA 0.633 56.037 55.300 0.173 0.000 1.147 865 M CB 0.923 33.596 32.600 0.121 0.000 1.547 865 M HN 0.582 nan 8.290 nan 0.000 0.455 866 Q N 1.399 121.332 119.800 0.222 0.000 2.287 866 Q HA 0.236 4.575 4.340 -0.001 0.000 0.201 866 Q C -0.249 175.962 176.000 0.352 0.000 0.946 866 Q CA 0.924 56.927 55.803 0.334 0.000 0.868 866 Q CB 0.334 29.298 28.738 0.377 0.000 0.967 866 Q HN 0.758 nan 8.270 nan 0.000 0.516 867 D N -0.974 119.563 120.400 0.229 0.000 2.653 867 D HA 0.288 4.927 4.640 -0.001 0.000 0.258 867 D C -1.412 174.963 176.300 0.124 0.000 1.252 867 D CA -0.478 53.632 54.000 0.184 0.000 0.777 867 D CB 1.511 42.407 40.800 0.160 0.000 1.339 867 D HN 0.047 nan 8.370 nan 0.000 0.422 868 R N 0.790 121.353 120.500 0.104 0.000 2.651 868 R HA 0.722 5.062 4.340 -0.001 0.000 0.278 868 R C -1.004 175.344 176.300 0.081 0.000 1.010 868 R CA -1.073 55.075 56.100 0.079 0.000 0.896 868 R CB 2.254 32.578 30.300 0.041 0.000 1.211 868 R HN 0.322 nan 8.270 nan 0.000 0.456 869 R N 3.584 124.128 120.500 0.074 0.000 2.483 869 R HA 0.460 4.799 4.340 -0.001 0.000 0.303 869 R C -1.545 174.792 176.300 0.062 0.000 0.987 869 R CA -0.552 55.587 56.100 0.066 0.000 0.881 869 R CB 1.323 31.657 30.300 0.056 0.000 1.177 869 R HN 0.717 nan 8.270 nan 0.000 0.451 870 L N 3.875 125.133 121.223 0.059 0.000 2.381 870 L HA 0.554 4.893 4.340 -0.001 0.000 0.274 870 L C 0.726 177.623 176.870 0.046 0.000 0.988 870 L CA -0.632 54.241 54.840 0.054 0.000 0.824 870 L CB 2.170 44.263 42.059 0.057 0.000 1.263 870 L HN 0.804 nan 8.230 nan 0.000 0.410 871 A N 1.546 124.390 122.820 0.040 0.000 2.123 871 A HA 0.196 4.515 4.320 -0.001 0.000 0.214 871 A C 0.909 178.511 177.584 0.031 0.000 1.152 871 A CA 0.615 52.673 52.037 0.034 0.000 0.728 871 A CB 0.059 19.077 19.000 0.029 0.000 0.814 871 A HN 0.604 nan 8.150 nan 0.000 0.464 872 S N -0.449 115.270 115.700 0.031 0.000 2.607 872 S HA 0.435 4.905 4.470 -0.001 0.000 0.303 872 S C -0.811 173.810 174.600 0.034 0.000 1.086 872 S CA -0.676 57.541 58.200 0.027 0.000 0.995 872 S CB 1.575 64.787 63.200 0.019 0.000 1.084 872 S HN 0.479 nan 8.310 nan 0.000 0.507 873 D N 0.273 120.693 120.400 0.033 0.000 2.304 873 D HA 0.263 4.902 4.640 -0.001 0.000 0.247 873 D C -0.153 176.165 176.300 0.030 0.000 1.089 873 D CA -0.397 53.631 54.000 0.045 0.000 0.910 873 D CB 0.712 41.538 40.800 0.044 0.000 1.199 873 D HN 0.496 nan 8.370 nan 0.000 0.426 874 D N 1.705 122.128 120.400 0.038 0.000 2.501 874 D HA 0.061 4.700 4.640 -0.001 0.000 0.226 874 D C -0.465 175.793 176.300 -0.071 0.000 1.198 874 D CA -0.271 53.717 54.000 -0.020 0.000 0.830 874 D CB -0.447 40.330 40.800 -0.038 0.000 1.014 874 D HN 0.675 nan 8.370 nan 0.000 0.496 875 E N -0.019 120.166 120.200 -0.026 0.000 2.513 875 E HA -0.216 4.134 4.350 -0.001 0.000 0.257 875 E C 0.117 176.674 176.600 -0.071 0.000 1.098 875 E CA 0.157 56.539 56.400 -0.029 0.000 0.752 875 E CB -0.913 28.769 29.700 -0.030 0.000 1.324 875 E HN 0.213 nan 8.360 nan 0.000 0.403 876 R N -0.550 119.876 120.500 -0.123 0.000 2.577 876 R HA 0.227 4.566 4.340 -0.001 0.000 0.344 876 R C 1.368 177.726 176.300 0.097 0.000 1.037 876 R CA 0.615 56.568 56.100 -0.245 0.000 1.102 876 R CB 1.011 30.690 30.300 -1.035 0.000 1.313 876 R HN 0.450 nan 8.270 nan 0.000 0.561 877 G N 0.619 109.546 108.800 0.213 0.000 2.238 877 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.217 877 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.217 877 G C 0.771 175.737 174.900 0.110 0.000 0.996 877 G CA 0.188 45.470 45.100 0.303 0.000 0.632 877 G HN 0.272 nan 8.290 nan 0.000 0.503 878 L N 1.583 122.995 121.223 0.315 0.000 2.046 878 L HA 0.403 4.743 4.340 -0.001 0.000 0.208 878 L C 2.295 179.171 176.870 0.010 0.000 1.077 878 L CA 2.911 57.851 54.840 0.166 0.000 0.747 878 L CB -0.753 41.533 42.059 0.378 0.000 0.896 878 L HN 1.726 nan 8.230 nan 0.000 0.432 879 G N -0.533 108.296 108.800 0.049 0.000 2.176 879 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.252 879 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.252 879 G C 0.099 175.013 174.900 0.024 0.000 1.024 879 G CA 0.667 45.777 45.100 0.016 0.000 0.755 879 G HN 0.774 nan 8.290 nan 0.000 0.507 880 Q N -1.905 117.924 119.800 0.050 0.000 2.578 880 Q HA 0.675 5.015 4.340 -0.001 0.000 0.284 880 Q C 0.376 176.412 176.000 0.060 0.000 0.960 880 Q CA -0.584 55.247 55.803 0.047 0.000 0.809 880 Q CB 0.543 29.308 28.738 0.044 0.000 1.462 880 Q HN 0.938 nan 8.270 nan 0.000 0.392 881 G N 0.100 108.930 108.800 0.051 0.000 2.494 881 G HA2 0.491 4.450 3.960 -0.001 0.000 0.270 881 G HA3 0.491 4.450 3.960 -0.001 0.000 0.270 881 G C -0.899 174.037 174.900 0.059 0.000 1.423 881 G CA -0.649 44.483 45.100 0.053 0.000 1.055 881 G HN 0.412 nan 8.290 nan 0.000 0.536 882 V N 0.855 120.805 119.914 0.060 0.000 2.284 882 V HA 0.321 4.441 4.120 -0.001 0.000 0.274 882 V C 0.104 176.237 176.094 0.065 0.000 1.023 882 V CA -0.129 62.212 62.300 0.069 0.000 0.808 882 V CB 0.812 32.680 31.823 0.075 0.000 1.035 882 V HN 0.525 nan 8.190 nan 0.000 0.445 883 L N 3.420 124.680 121.223 0.061 0.000 3.168 883 L HA 0.342 4.682 4.340 -0.001 0.000 0.277 883 L C 0.551 177.452 176.870 0.051 0.000 1.245 883 L CA 0.023 54.894 54.840 0.052 0.000 1.035 883 L CB 0.595 42.679 42.059 0.042 0.000 1.399 883 L HN 0.657 nan 8.230 nan 0.000 0.580 884 D N -2.303 118.136 120.400 0.066 0.000 2.559 884 D HA 0.064 4.703 4.640 -0.001 0.000 0.234 884 D C 0.078 176.419 176.300 0.069 0.000 1.226 884 D CA -0.485 53.554 54.000 0.065 0.000 0.830 884 D CB -0.398 40.450 40.800 0.079 0.000 1.028 884 D HN 0.066 nan 8.370 nan 0.000 0.492 885 N N 1.720 120.458 118.700 0.064 0.000 2.395 885 N HA 0.101 4.840 4.740 -0.001 0.000 0.246 885 N C 0.126 175.644 175.510 0.014 0.000 1.246 885 N CA 0.352 53.439 53.050 0.061 0.000 0.879 885 N CB 0.634 39.155 38.487 0.057 0.000 1.098 885 N HN 0.314 nan 8.380 nan 0.000 0.444 886 K N -0.262 120.132 120.400 -0.010 0.000 2.477 886 K HA 0.560 4.879 4.320 -0.001 0.000 0.255 886 K C -3.198 173.371 176.600 -0.051 0.000 0.952 886 K CA -2.108 54.127 56.287 -0.087 0.000 0.826 886 K CB 1.385 33.737 32.500 -0.246 0.000 1.331 886 K HN 0.132 nan 8.250 nan 0.000 0.437 887 P HA -0.073 nan 4.420 nan 0.000 0.262 887 P C -0.971 176.342 177.300 0.022 0.000 1.182 887 P CA -0.356 62.720 63.100 -0.040 0.000 0.761 887 P CB 0.636 32.301 31.700 -0.057 0.000 0.795 888 V N 5.422 125.316 119.914 -0.034 0.000 2.686 888 V HA 0.393 4.512 4.120 -0.001 0.000 0.306 888 V C -1.120 174.836 176.094 -0.229 0.000 1.065 888 V CA -1.134 61.124 62.300 -0.070 0.000 0.894 888 V CB 1.988 33.751 31.823 -0.100 0.000 1.004 888 V HN 0.285 nan 8.190 nan 0.000 0.424 889 L N 7.609 128.738 121.223 -0.155 0.000 2.312 889 L HA 0.543 4.882 4.340 -0.001 0.000 0.287 889 L C -0.185 176.666 176.870 -0.032 0.000 1.091 889 L CA 0.277 55.057 54.840 -0.100 0.000 0.846 889 L CB -0.028 41.995 42.059 -0.061 0.000 1.219 889 L HN 0.687 nan 8.230 nan 0.000 0.439 890 H N 5.685 124.770 119.070 0.026 0.000 2.582 890 H HA 0.457 5.012 4.556 -0.001 0.000 0.345 890 H C -0.060 175.178 175.328 -0.149 0.000 1.104 890 H CA -0.204 55.809 56.048 -0.059 0.000 1.390 890 H CB 1.113 30.926 29.762 0.086 0.000 1.461 890 H HN 0.685 nan 8.280 nan 0.000 0.551 891 I N 0.332 120.732 120.570 -0.283 0.000 2.608 891 I HA 0.592 4.761 4.170 -0.001 0.000 0.295 891 I C -1.482 174.310 176.117 -0.542 0.000 1.049 891 I CA -0.931 60.229 61.300 -0.233 0.000 1.063 891 I CB 2.059 40.009 38.000 -0.083 0.000 1.248 891 I HN 0.225 nan 8.210 nan 0.000 0.424 892 Y N 3.009 123.351 120.300 0.070 0.000 2.625 892 Y HA 0.700 5.249 4.550 -0.001 0.000 0.338 892 Y C -0.574 175.374 175.900 0.080 0.000 1.123 892 Y CA -1.077 57.072 58.100 0.082 0.000 1.046 892 Y CB 1.586 40.113 38.460 0.112 0.000 1.299 892 Y HN 0.424 nan 8.280 nan 0.000 0.464 893 R N 1.431 122.087 120.500 0.261 0.000 2.670 893 R HA 0.626 4.965 4.340 -0.001 0.000 0.289 893 R C -1.874 174.540 176.300 0.190 0.000 0.965 893 R CA -1.143 55.067 56.100 0.183 0.000 0.899 893 R CB 2.607 32.975 30.300 0.113 0.000 1.173 893 R HN 0.680 nan 8.270 nan 0.000 0.456 894 L N 2.242 123.557 121.223 0.155 0.000 2.343 894 L HA 0.440 4.779 4.340 -0.001 0.000 0.278 894 L C -1.269 175.634 176.870 0.055 0.000 0.996 894 L CA -0.550 54.360 54.840 0.117 0.000 0.831 894 L CB 1.857 44.002 42.059 0.145 0.000 1.232 894 L HN 0.309 nan 8.230 nan 0.000 0.413 895 V N 6.192 126.123 119.914 0.027 0.000 2.326 895 V HA 0.402 4.522 4.120 -0.001 0.000 0.281 895 V C -0.384 175.688 176.094 -0.038 0.000 1.015 895 V CA -0.548 61.748 62.300 -0.008 0.000 0.823 895 V CB 1.372 33.182 31.823 -0.020 0.000 1.009 895 V HN 0.640 nan 8.190 nan 0.000 0.436 896 L N 5.392 126.587 121.223 -0.046 0.000 2.275 896 L HA 0.671 5.011 4.340 -0.001 0.000 0.288 896 L C -0.121 176.710 176.870 -0.065 0.000 1.046 896 L CA 0.648 55.452 54.840 -0.060 0.000 0.805 896 L CB 1.013 43.033 42.059 -0.066 0.000 1.193 896 L HN 0.725 nan 8.230 nan 0.000 0.426 897 E N 3.785 123.938 120.200 -0.078 0.000 2.367 897 E HA 0.448 4.797 4.350 -0.001 0.000 0.273 897 E C -1.196 175.356 176.600 -0.079 0.000 0.903 897 E CA -1.204 55.145 56.400 -0.084 0.000 0.764 897 E CB 1.565 31.197 29.700 -0.112 0.000 1.252 897 E HN 0.271 nan 8.360 nan 0.000 0.446 898 K N 1.315 121.673 120.400 -0.071 0.000 2.249 898 K HA 0.187 4.506 4.320 -0.001 0.000 0.280 898 K C 0.431 176.985 176.600 -0.078 0.000 1.033 898 K CA -0.146 56.103 56.287 -0.064 0.000 0.946 898 K CB 1.266 33.734 32.500 -0.053 0.000 1.005 898 K HN 0.477 nan 8.250 nan 0.000 0.469 899 V N -0.694 119.175 119.914 -0.075 0.000 3.330 899 V HA 0.018 4.137 4.120 -0.001 0.000 0.309 899 V C 1.178 177.233 176.094 -0.065 0.000 1.481 899 V CA -0.275 61.972 62.300 -0.089 0.000 1.068 899 V CB -0.281 31.470 31.823 -0.119 0.000 0.935 899 V HN 0.622 nan 8.190 nan 0.000 0.453 900 N N 1.586 120.258 118.700 -0.048 0.000 2.289 900 N HA -0.179 4.561 4.740 -0.001 0.000 0.184 900 N C 1.043 176.531 175.510 -0.038 0.000 1.016 900 N CA 1.684 54.713 53.050 -0.035 0.000 0.872 900 N CB -0.511 37.960 38.487 -0.026 0.000 0.973 900 N HN 0.528 nan 8.380 nan 0.000 0.433 901 N N 0.193 118.866 118.700 -0.046 0.000 2.412 901 N HA 0.054 4.793 4.740 -0.001 0.000 0.184 901 N C -0.166 175.310 175.510 -0.056 0.000 1.101 901 N CA -0.043 52.980 53.050 -0.046 0.000 0.881 901 N CB -0.062 38.398 38.487 -0.045 0.000 0.969 901 N HN 0.234 nan 8.380 nan 0.000 0.459 902 c N 1.353 119.913 118.600 -0.067 0.000 2.593 902 c HA 0.227 4.796 4.570 -0.001 0.000 0.409 902 c C 1.039 175.087 174.090 -0.070 0.000 1.304 902 c CA -0.994 55.287 56.329 -0.080 0.000 2.007 902 c CB 0.550 42.998 42.510 -0.105 0.000 2.614 902 c HN 0.020 nan 8.230 nan 0.000 0.585 903 V N 5.812 125.681 119.914 -0.076 0.000 2.370 903 V HA 0.186 4.305 4.120 -0.001 0.000 0.257 903 V C 0.675 176.725 176.094 -0.074 0.000 1.064 903 V CA 0.405 62.664 62.300 -0.068 0.000 0.975 903 V CB -0.728 31.051 31.823 -0.073 0.000 1.067 903 V HN 0.793 nan 8.190 nan 0.000 0.485 904 R N 4.659 125.129 120.500 -0.051 0.000 2.674 904 R HA 0.541 4.880 4.340 -0.001 0.000 0.266 904 R C -2.438 173.850 176.300 -0.019 0.000 1.016 904 R CA -1.846 54.233 56.100 -0.036 0.000 1.062 904 R CB 0.973 31.257 30.300 -0.026 0.000 1.142 904 R HN 0.401 nan 8.270 nan 0.000 0.517 905 P HA -0.026 nan 4.420 nan 0.000 0.269 905 P C -0.410 176.931 177.300 0.068 0.000 1.215 905 P CA -0.245 62.840 63.100 -0.024 0.000 0.780 905 P CB 0.649 32.263 31.700 -0.143 0.000 0.898 906 S N 1.430 117.196 115.700 0.110 0.000 2.580 906 S HA 0.016 4.485 4.470 -0.001 0.000 0.261 906 S C 1.152 175.835 174.600 0.138 0.000 1.366 906 S CA -0.031 58.237 58.200 0.113 0.000 0.996 906 S CB 0.224 63.492 63.200 0.113 0.000 0.902 906 S HN 0.331 nan 8.310 nan 0.000 0.566 907 K N 0.426 120.888 120.400 0.104 0.000 2.218 907 K HA -0.024 4.296 4.320 -0.001 0.000 0.205 907 K C 1.489 178.146 176.600 0.096 0.000 1.046 907 K CA 1.464 57.809 56.287 0.096 0.000 0.933 907 K CB -0.521 32.019 32.500 0.067 0.000 0.728 907 K HN 0.569 nan 8.250 nan 0.000 0.454 908 L N -0.157 121.126 121.223 0.099 0.000 2.592 908 L HA 0.037 4.377 4.340 -0.001 0.000 0.227 908 L C 0.946 177.868 176.870 0.087 0.000 1.127 908 L CA -0.250 54.632 54.840 0.071 0.000 0.884 908 L CB -0.118 41.969 42.059 0.046 0.000 1.065 908 L HN 0.231 nan 8.230 nan 0.000 0.457 909 H N 2.522 121.631 119.070 0.065 0.000 2.722 909 H HA 0.114 4.669 4.556 -0.001 0.000 0.328 909 H C -1.699 173.672 175.328 0.072 0.000 1.067 909 H CA -1.579 54.521 56.048 0.086 0.000 1.447 909 H CB 1.845 31.685 29.762 0.130 0.000 1.469 909 H HN -0.083 nan 8.280 nan 0.000 0.544 910 P HA 0.120 nan 4.420 nan 0.000 0.245 910 P C -0.349 177.052 177.300 0.168 0.000 1.212 910 P CA 0.211 63.344 63.100 0.054 0.000 0.774 910 P CB 0.456 32.117 31.700 -0.065 0.000 0.999 911 A N -0.359 122.731 122.820 0.450 0.000 2.322 911 A HA 0.751 5.071 4.320 -0.001 0.000 0.327 911 A C 0.234 177.900 177.584 0.138 0.000 1.134 911 A CA -0.329 51.853 52.037 0.242 0.000 0.831 911 A CB 1.154 20.301 19.000 0.245 0.000 1.288 911 A HN 0.162 nan 8.150 nan 0.000 0.472 912 G N -1.303 107.451 108.800 -0.077 0.000 2.605 912 G HA2 0.632 4.591 3.960 -0.001 0.000 0.296 912 G HA3 0.632 4.591 3.960 -0.001 0.000 0.296 912 G C -1.757 172.745 174.900 -0.662 0.000 1.304 912 G CA -0.424 44.531 45.100 -0.242 0.000 0.941 912 G HN 0.542 nan 8.290 nan 0.000 0.475 913 Y N -0.644 119.598 120.300 -0.097 0.000 2.492 913 Y HA 0.472 5.021 4.550 -0.001 0.000 0.346 913 Y C 0.424 176.069 175.900 -0.424 0.000 0.997 913 Y CA -0.898 57.077 58.100 -0.207 0.000 1.025 913 Y CB 2.148 40.487 38.460 -0.201 0.000 1.263 913 Y HN 0.308 nan 8.280 nan 0.000 0.454 914 L N 2.267 123.305 121.223 -0.308 0.000 2.464 914 L HA 0.324 4.664 4.340 -0.001 0.000 0.264 914 L C 0.717 177.433 176.870 -0.256 0.000 1.199 914 L CA -0.464 54.133 54.840 -0.405 0.000 0.818 914 L CB 0.770 42.663 42.059 -0.276 0.000 1.102 914 L HN 0.771 nan 8.230 nan 0.000 0.473 915 T N -2.483 111.916 114.554 -0.257 0.000 2.816 915 T HA 0.053 4.403 4.350 -0.001 0.000 0.282 915 T C 1.163 175.814 174.700 -0.082 0.000 0.993 915 T CA -0.155 61.844 62.100 -0.168 0.000 0.994 915 T CB 1.479 70.245 68.868 -0.170 0.000 1.025 915 T HN 0.628 nan 8.240 nan 0.000 0.529 916 S N 0.680 116.342 115.700 -0.063 0.000 2.365 916 S HA -0.185 4.285 4.470 -0.001 0.000 0.225 916 S C 2.337 176.947 174.600 0.016 0.000 1.039 916 S CA 1.640 59.835 58.200 -0.009 0.000 1.033 916 S CB -1.257 61.920 63.200 -0.038 0.000 0.887 916 S HN 0.935 nan 8.310 nan 0.000 0.447 917 A N 1.254 124.059 122.820 -0.025 0.000 1.902 917 A HA 0.244 4.563 4.320 -0.001 0.000 0.217 917 A C 2.501 180.078 177.584 -0.011 0.000 1.181 917 A CA 1.886 53.911 52.037 -0.020 0.000 0.623 917 A CB -1.396 17.583 19.000 -0.035 0.000 0.818 917 A HN 0.833 nan 8.150 nan 0.000 0.443 918 A N -1.231 121.570 122.820 -0.032 0.000 1.898 918 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 918 A C 2.131 179.743 177.584 0.047 0.000 1.181 918 A CA 1.682 53.706 52.037 -0.023 0.000 0.620 918 A CB -0.981 17.951 19.000 -0.114 0.000 0.819 918 A HN 0.777 nan 8.150 nan 0.000 0.442 919 H N 0.091 119.146 119.070 -0.025 0.000 2.321 919 H HA -0.097 4.459 4.556 -0.001 0.000 0.300 919 H C 1.901 177.265 175.328 0.060 0.000 1.087 919 H CA 1.964 58.033 56.048 0.036 0.000 1.319 919 H CB -0.069 29.709 29.762 0.026 0.000 1.379 919 H HN 0.454 nan 8.280 nan 0.000 0.501 920 K N 0.244 120.596 120.400 -0.080 0.000 2.063 920 K HA -0.113 4.206 4.320 -0.001 0.000 0.208 920 K C 2.438 178.998 176.600 -0.065 0.000 1.048 920 K CA 0.977 57.203 56.287 -0.101 0.000 0.928 920 K CB -0.114 32.376 32.500 -0.017 0.000 0.713 920 K HN 0.283 nan 8.250 nan 0.000 0.442 921 A N 0.960 123.767 122.820 -0.022 0.000 1.883 921 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 921 A C 2.246 179.835 177.584 0.008 0.000 1.186 921 A CA 2.179 54.220 52.037 0.006 0.000 0.624 921 A CB -0.801 18.217 19.000 0.031 0.000 0.822 921 A HN 0.294 nan 8.150 nan 0.000 0.444 922 S N -0.732 114.977 115.700 0.016 0.000 2.359 922 S HA -0.250 4.219 4.470 -0.001 0.000 0.224 922 S C 2.166 176.759 174.600 -0.012 0.000 1.035 922 S CA 1.790 60.016 58.200 0.044 0.000 1.018 922 S CB -0.425 62.852 63.200 0.128 0.000 0.876 922 S HN 0.681 nan 8.310 nan 0.000 0.448 923 Q N 0.579 120.326 119.800 -0.088 0.000 2.135 923 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 923 Q C 2.519 178.477 176.000 -0.069 0.000 0.981 923 Q CA 1.769 57.521 55.803 -0.084 0.000 0.856 923 Q CB -0.347 28.318 28.738 -0.122 0.000 0.902 923 Q HN 0.812 nan 8.270 nan 0.000 0.425 924 S N 0.285 115.953 115.700 -0.054 0.000 2.402 924 S HA -0.086 4.384 4.470 -0.001 0.000 0.229 924 S C 1.881 176.438 174.600 -0.072 0.000 1.021 924 S CA 0.700 58.867 58.200 -0.054 0.000 0.974 924 S CB -0.263 62.921 63.200 -0.026 0.000 0.800 924 S HN 0.276 nan 8.310 nan 0.000 0.484 925 L N 0.122 121.312 121.223 -0.055 0.000 2.102 925 L HA 0.195 4.534 4.340 -0.001 0.000 0.202 925 L C 2.584 179.396 176.870 -0.098 0.000 1.076 925 L CA 0.804 55.606 54.840 -0.062 0.000 0.761 925 L CB -0.387 41.654 42.059 -0.031 0.000 0.921 925 L HN 0.282 nan 8.230 nan 0.000 0.444 926 L N -1.127 120.043 121.223 -0.090 0.000 2.162 926 L HA -0.001 4.338 4.340 -0.001 0.000 0.205 926 L C 0.221 176.967 176.870 -0.207 0.000 1.086 926 L CA 0.863 55.634 54.840 -0.115 0.000 0.778 926 L CB 0.060 42.079 42.059 -0.066 0.000 0.928 926 L HN 0.222 nan 8.230 nan 0.000 0.446 927 D N 0.465 120.734 120.400 -0.219 0.000 2.607 927 D HA 0.236 4.875 4.640 -0.001 0.000 0.318 927 D C -2.332 173.760 176.300 -0.346 0.000 1.212 927 D CA -1.021 52.774 54.000 -0.343 0.000 0.861 927 D CB 1.214 41.983 40.800 -0.052 0.000 1.064 927 D HN 0.083 nan 8.370 nan 0.000 0.500 928 P HA 0.125 nan 4.420 nan 0.000 0.275 928 P C 0.610 177.802 177.300 -0.180 0.000 1.266 928 P CA -0.518 62.435 63.100 -0.246 0.000 0.793 928 P CB 1.525 33.093 31.700 -0.221 0.000 1.074 929 L N 0.816 121.984 121.223 -0.093 0.000 2.514 929 L HA 0.053 4.392 4.340 -0.001 0.000 0.280 929 L C 0.890 177.759 176.870 -0.001 0.000 1.223 929 L CA 0.556 55.383 54.840 -0.022 0.000 0.864 929 L CB -0.360 41.699 42.059 -0.000 0.000 1.118 929 L HN 0.283 nan 8.230 nan 0.000 0.494 930 D N 3.329 123.793 120.400 0.107 0.000 2.210 930 D HA 0.311 4.951 4.640 -0.001 0.000 0.249 930 D C -0.333 175.980 176.300 0.022 0.000 1.062 930 D CA -0.323 53.691 54.000 0.023 0.000 0.891 930 D CB 1.639 42.503 40.800 0.106 0.000 1.186 930 D HN 0.374 nan 8.370 nan 0.000 0.432 931 K N 1.579 121.859 120.400 -0.200 0.000 2.323 931 K HA 0.445 4.764 4.320 -0.001 0.000 0.259 931 K C -0.983 175.525 176.600 -0.155 0.000 0.947 931 K CA -0.642 55.645 56.287 -0.001 0.000 0.819 931 K CB 1.464 33.919 32.500 -0.075 0.000 1.109 931 K HN 0.225 nan 8.250 nan 0.000 0.429 932 F N 2.883 123.015 119.950 0.303 0.000 2.507 932 F HA 0.471 4.998 4.527 -0.001 0.000 0.325 932 F C 0.096 176.191 175.800 0.491 0.000 1.116 932 F CA -0.912 57.267 58.000 0.300 0.000 0.930 932 F CB 1.196 40.198 39.000 0.004 0.000 1.146 932 F HN 0.209 nan 8.300 nan 0.000 0.447 933 I N 3.776 124.729 120.570 0.639 0.000 2.339 933 I HA 0.205 4.375 4.170 -0.001 0.000 0.290 933 I C -0.394 176.007 176.117 0.473 0.000 0.994 933 I CA -0.823 60.779 61.300 0.504 0.000 1.191 933 I CB 1.062 39.260 38.000 0.330 0.000 1.343 933 I HN 0.438 nan 8.210 nan 0.000 0.458 934 F N 5.812 125.917 119.950 0.259 0.000 2.578 934 F HA 0.192 4.718 4.527 -0.001 0.000 0.376 934 F C 1.132 176.851 175.800 -0.135 0.000 1.085 934 F CA 0.026 57.878 58.000 -0.247 0.000 1.260 934 F CB 1.130 40.016 39.000 -0.191 0.000 1.095 934 F HN 0.578 nan 8.300 nan 0.000 0.573 935 A N 4.218 126.396 122.820 -1.070 0.000 2.195 935 A HA 0.185 4.504 4.320 -0.001 0.000 0.210 935 A C 0.665 177.940 177.584 -0.515 0.000 1.165 935 A CA 0.238 51.918 52.037 -0.595 0.000 0.806 935 A CB -0.214 18.469 19.000 -0.527 0.000 0.847 935 A HN 0.671 nan 8.150 nan 0.000 0.482 936 E N -0.749 118.988 120.200 -0.772 0.000 2.334 936 E HA 0.241 4.590 4.350 -0.001 0.000 0.256 936 E C -0.065 176.622 176.600 0.145 0.000 0.958 936 E CA -0.869 55.403 56.400 -0.215 0.000 0.821 936 E CB 0.410 30.046 29.700 -0.108 0.000 1.269 936 E HN 0.094 nan 8.360 nan 0.000 0.413 937 N N 0.738 119.547 118.700 0.182 0.000 2.188 937 N HA -0.124 4.616 4.740 -0.001 0.000 0.184 937 N C -0.009 175.661 175.510 0.268 0.000 1.018 937 N CA 1.102 54.276 53.050 0.206 0.000 0.858 937 N CB 0.306 38.870 38.487 0.128 0.000 0.989 937 N HN 0.442 nan 8.380 nan 0.000 0.426 938 E N -0.663 119.730 120.200 0.321 0.000 2.260 938 E HA 0.089 4.439 4.350 -0.001 0.000 0.266 938 E C -1.546 175.150 176.600 0.159 0.000 0.887 938 E CA -0.662 55.846 56.400 0.180 0.000 0.777 938 E CB 1.127 30.888 29.700 0.101 0.000 1.205 938 E HN 0.032 nan 8.360 nan 0.000 0.414 939 W N 8.075 129.045 121.300 -0.550 0.000 2.317 939 W HA 0.398 5.058 4.660 -0.001 0.000 0.327 939 W C -1.327 174.963 176.519 -0.381 0.000 1.036 939 W CA -1.300 55.507 57.345 -0.896 0.000 1.419 939 W CB -0.106 28.307 29.460 -1.745 0.000 1.253 939 W HN 0.450 nan 8.180 nan 0.000 0.392 940 I N 6.347 126.995 120.570 0.129 0.000 2.416 940 I HA 0.253 4.423 4.170 -0.001 0.000 0.288 940 I C 1.465 177.579 176.117 -0.006 0.000 1.051 940 I CA 0.826 62.139 61.300 0.022 0.000 1.375 940 I CB 0.670 38.713 38.000 0.071 0.000 1.407 940 I HN 0.793 nan 8.210 nan 0.000 0.516 941 G N 4.445 113.152 108.800 -0.154 0.000 2.136 941 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.242 941 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.242 941 G C 0.408 175.087 174.900 -0.368 0.000 0.989 941 G CA -0.065 44.929 45.100 -0.177 0.000 0.682 941 G HN 0.981 nan 8.290 nan 0.000 0.522 942 A N -0.487 121.846 122.820 -0.812 0.000 2.531 942 A HA 0.551 4.870 4.320 -0.001 0.000 0.236 942 A C 0.601 177.789 177.584 -0.660 0.000 1.062 942 A CA 0.823 52.038 52.037 -1.370 0.000 0.760 942 A CB 0.247 17.991 19.000 -2.094 0.000 0.995 942 A HN 0.654 nan 8.150 nan 0.000 0.501 943 Q N 0.766 120.267 119.800 -0.498 0.000 2.297 943 Q HA 0.519 4.858 4.340 -0.001 0.000 0.268 943 Q C 1.151 177.037 176.000 -0.189 0.000 1.045 943 Q CA -0.224 55.431 55.803 -0.246 0.000 0.861 943 Q CB 1.838 30.496 28.738 -0.134 0.000 1.344 943 Q HN 0.799 nan 8.270 nan 0.000 0.452 944 G N 0.187 108.910 108.800 -0.129 0.000 2.551 944 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.216 944 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.216 944 G C 0.208 175.074 174.900 -0.058 0.000 1.137 944 G CA 0.598 45.634 45.100 -0.107 0.000 0.798 944 G HN 0.452 nan 8.290 nan 0.000 0.536 945 Q N -1.523 118.262 119.800 -0.025 0.000 2.527 945 Q HA 0.511 4.851 4.340 -0.001 0.000 0.280 945 Q C -2.394 173.624 176.000 0.030 0.000 0.977 945 Q CA -0.923 54.879 55.803 -0.002 0.000 0.837 945 Q CB 2.078 30.801 28.738 -0.025 0.000 1.454 945 Q HN 0.059 nan 8.270 nan 0.000 0.387 946 F N 1.406 121.253 119.950 -0.171 0.000 2.561 946 F HA 0.640 5.167 4.527 -0.001 0.000 0.313 946 F C 0.469 176.005 175.800 -0.441 0.000 1.126 946 F CA 0.513 58.346 58.000 -0.279 0.000 0.918 946 F CB 2.060 40.905 39.000 -0.259 0.000 1.199 946 F HN 0.678 nan 8.300 nan 0.000 0.444 947 G N 3.070 110.916 108.800 -1.590 0.000 2.157 947 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.239 947 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.239 947 G C 1.028 175.245 174.900 -1.138 0.000 0.982 947 G CA 0.194 44.048 45.100 -2.077 0.000 0.650 947 G HN 1.568 nan 8.290 nan 0.000 0.527 948 G N 1.109 109.538 108.800 -0.618 0.000 2.498 948 G HA2 0.041 4.000 3.960 -0.001 0.000 0.219 948 G HA3 0.041 4.000 3.960 -0.001 0.000 0.219 948 G C 1.222 176.066 174.900 -0.094 0.000 1.119 948 G CA 1.766 46.739 45.100 -0.212 0.000 0.766 948 G HN 0.825 nan 8.290 nan 0.000 0.552 949 D N -0.794 119.467 120.400 -0.232 0.000 2.349 949 D HA 0.009 4.648 4.640 -0.001 0.000 0.214 949 D C 0.313 176.621 176.300 0.012 0.000 1.063 949 D CA -0.483 53.473 54.000 -0.073 0.000 0.847 949 D CB -0.900 39.861 40.800 -0.066 0.000 0.933 949 D HN 0.451 nan 8.370 nan 0.000 0.513 950 H N 1.337 120.299 119.070 -0.180 0.000 2.886 950 H HA 0.205 4.761 4.556 -0.001 0.000 0.329 950 H C -1.987 173.311 175.328 -0.049 0.000 1.044 950 H CA -1.750 54.217 56.048 -0.135 0.000 1.456 950 H CB 0.558 30.190 29.762 -0.216 0.000 1.464 950 H HN 0.003 nan 8.280 nan 0.000 0.573 951 P HA -0.069 nan 4.420 nan 0.000 0.265 951 P C -0.503 176.868 177.300 0.118 0.000 1.193 951 P CA 0.156 63.319 63.100 0.105 0.000 0.765 951 P CB 0.703 32.443 31.700 0.066 0.000 0.823 952 S N 2.493 118.299 115.700 0.177 0.000 2.464 952 S HA 0.574 5.043 4.470 -0.001 0.000 0.313 952 S C 0.030 174.745 174.600 0.193 0.000 1.078 952 S CA -0.561 57.775 58.200 0.228 0.000 1.096 952 S CB -0.702 62.755 63.200 0.428 0.000 1.032 952 S HN 0.484 nan 8.310 nan 0.000 0.498 953 A N 4.420 127.346 122.820 0.176 0.000 2.287 953 A HA 0.574 4.893 4.320 -0.001 0.000 0.273 953 A C 0.478 178.133 177.584 0.117 0.000 1.091 953 A CA -0.671 51.445 52.037 0.131 0.000 0.817 953 A CB 0.264 19.336 19.000 0.120 0.000 1.069 953 A HN 0.899 nan 8.150 nan 0.000 0.492 954 R N -0.009 120.529 120.500 0.064 0.000 2.619 954 R HA -0.048 4.292 4.340 -0.001 0.000 0.268 954 R C 1.444 177.755 176.300 0.017 0.000 0.990 954 R CA 1.025 57.136 56.100 0.018 0.000 1.092 954 R CB 0.325 30.621 30.300 -0.006 0.000 0.935 954 R HN 0.916 nan 8.270 nan 0.000 0.415 955 E N 1.876 122.045 120.200 -0.051 0.000 2.265 955 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 955 E C 0.302 176.936 176.600 0.056 0.000 0.996 955 E CA 1.557 57.906 56.400 -0.085 0.000 0.832 955 E CB -0.045 29.579 29.700 -0.126 0.000 0.756 955 E HN 0.768 nan 8.360 nan 0.000 0.491 956 D N 0.606 120.999 120.400 -0.012 0.000 2.349 956 D HA -0.009 4.631 4.640 -0.001 0.000 0.215 956 D C 0.404 176.706 176.300 0.004 0.000 1.016 956 D CA -0.109 53.837 54.000 -0.090 0.000 0.870 956 D CB -0.042 40.650 40.800 -0.180 0.000 0.917 956 D HN 0.181 nan 8.370 nan 0.000 0.524 957 L N 0.807 122.081 121.223 0.086 0.000 2.307 957 L HA 0.503 4.843 4.340 -0.001 0.000 0.282 957 L C -1.096 175.913 176.870 0.232 0.000 1.051 957 L CA -0.377 54.537 54.840 0.124 0.000 0.804 957 L CB 1.599 43.716 42.059 0.096 0.000 1.197 957 L HN -0.209 nan 8.230 nan 0.000 0.431 958 D N 2.440 123.000 120.400 0.266 0.000 2.738 958 D HA 0.331 4.971 4.640 -0.001 0.000 0.237 958 D C -1.256 175.212 176.300 0.280 0.000 1.123 958 D CA -0.284 53.893 54.000 0.294 0.000 0.856 958 D CB 2.372 43.391 40.800 0.364 0.000 1.552 958 D HN 0.226 nan 8.370 nan 0.000 0.480 959 V N 3.661 123.714 119.914 0.233 0.000 2.276 959 V HA 0.102 4.222 4.120 -0.001 0.000 0.249 959 V C 1.365 177.593 176.094 0.224 0.000 1.160 959 V CA 0.064 62.510 62.300 0.243 0.000 1.042 959 V CB 0.262 32.215 31.823 0.217 0.000 1.224 959 V HN 0.584 nan 8.190 nan 0.000 0.496 960 S N 3.042 118.901 115.700 0.266 0.000 2.382 960 S HA -0.033 4.436 4.470 -0.001 0.000 0.228 960 S C 0.684 175.336 174.600 0.086 0.000 1.027 960 S CA 0.912 59.218 58.200 0.177 0.000 0.991 960 S CB 0.132 63.488 63.200 0.261 0.000 0.823 960 S HN 0.511 nan 8.310 nan 0.000 0.469 961 V N 1.478 121.482 119.914 0.151 0.000 2.686 961 V HA 0.526 4.645 4.120 -0.001 0.000 0.306 961 V C -0.754 175.401 176.094 0.102 0.000 1.065 961 V CA -0.547 61.818 62.300 0.109 0.000 0.894 961 V CB 1.865 33.779 31.823 0.151 0.000 1.004 961 V HN 0.370 nan 8.190 nan 0.000 0.424 962 M N 5.681 125.257 119.600 -0.041 0.000 2.151 962 M HA 0.675 5.154 4.480 -0.001 0.000 0.290 962 M C -1.076 175.038 176.300 -0.311 0.000 0.965 962 M CA -0.493 54.636 55.300 -0.284 0.000 0.930 962 M CB 1.444 33.876 32.600 -0.280 0.000 1.560 962 M HN 0.775 nan 8.290 nan 0.000 0.438 963 R N 4.108 124.365 120.500 -0.406 0.000 2.515 963 R HA 0.442 4.782 4.340 -0.001 0.000 0.291 963 R C -1.400 174.672 176.300 -0.379 0.000 1.046 963 R CA -0.701 55.218 56.100 -0.301 0.000 0.914 963 R CB 1.857 32.064 30.300 -0.155 0.000 1.191 963 R HN 0.901 nan 8.270 nan 0.000 0.435 964 R N 4.681 125.014 120.500 -0.279 0.000 2.401 964 R HA 0.127 4.466 4.340 -0.001 0.000 0.299 964 R C 0.220 176.412 176.300 -0.180 0.000 1.064 964 R CA 0.080 56.045 56.100 -0.225 0.000 1.000 964 R CB 0.560 30.784 30.300 -0.127 0.000 0.973 964 R HN 0.712 nan 8.270 nan 0.000 0.438 965 L N 3.184 124.291 121.223 -0.192 0.000 2.585 965 L HA 0.138 4.478 4.340 -0.001 0.000 0.226 965 L C 0.424 177.242 176.870 -0.085 0.000 1.113 965 L CA 0.012 54.762 54.840 -0.151 0.000 0.876 965 L CB 0.245 42.184 42.059 -0.201 0.000 1.072 965 L HN 0.693 nan 8.230 nan 0.000 0.468 966 T N -2.711 111.804 114.554 -0.066 0.000 2.912 966 T HA 0.457 4.806 4.350 -0.001 0.000 0.288 966 T C -0.190 174.501 174.700 -0.014 0.000 1.030 966 T CA -0.940 61.139 62.100 -0.035 0.000 1.020 966 T CB 2.309 71.162 68.868 -0.024 0.000 1.056 966 T HN -0.072 nan 8.240 nan 0.000 0.480 967 K N 0.861 121.259 120.400 -0.004 0.000 2.102 967 K HA 0.332 4.652 4.320 -0.001 0.000 0.244 967 K C 1.615 178.228 176.600 0.022 0.000 1.021 967 K CA -0.313 55.982 56.287 0.014 0.000 0.913 967 K CB 0.552 33.059 32.500 0.011 0.000 1.062 967 K HN 0.791 nan 8.250 nan 0.000 0.485 968 S N -0.611 115.110 115.700 0.036 0.000 2.447 968 S HA -0.148 4.322 4.470 -0.001 0.000 0.233 968 S C 1.796 176.410 174.600 0.025 0.000 1.006 968 S CA 1.376 59.597 58.200 0.035 0.000 0.957 968 S CB -0.360 62.868 63.200 0.046 0.000 0.773 968 S HN 0.636 nan 8.310 nan 0.000 0.507 969 S N 1.633 117.346 115.700 0.022 0.000 2.522 969 S HA 0.424 4.893 4.470 -0.001 0.000 0.227 969 S C 0.835 175.442 174.600 0.012 0.000 0.986 969 S CA 0.057 58.267 58.200 0.017 0.000 0.929 969 S CB -0.619 62.591 63.200 0.017 0.000 0.769 969 S HN 0.755 nan 8.310 nan 0.000 0.529 970 A N 2.039 124.864 122.820 0.009 0.000 2.451 970 A HA 0.347 4.666 4.320 -0.001 0.000 0.266 970 A C 1.280 178.869 177.584 0.009 0.000 1.119 970 A CA -0.313 51.727 52.037 0.004 0.000 0.786 970 A CB 0.171 19.170 19.000 -0.002 0.000 1.061 970 A HN 0.487 nan 8.150 nan 0.000 0.503 971 K N 1.923 122.327 120.400 0.007 0.000 2.063 971 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 971 K C 0.153 176.762 176.600 0.015 0.000 1.048 971 K CA 1.679 57.973 56.287 0.011 0.000 0.928 971 K CB -0.052 32.453 32.500 0.007 0.000 0.713 971 K HN 0.636 nan 8.250 nan 0.000 0.442 972 T N 2.534 117.094 114.554 0.010 0.000 2.738 972 T HA 0.170 4.519 4.350 -0.001 0.000 0.298 972 T C -0.843 173.870 174.700 0.023 0.000 0.962 972 T CA -0.645 61.465 62.100 0.016 0.000 0.972 972 T CB 1.408 70.275 68.868 -0.000 0.000 0.928 972 T HN 0.108 nan 8.240 nan 0.000 0.474 973 Q N 2.897 122.728 119.800 0.051 0.000 2.327 973 Q HA 0.366 4.706 4.340 -0.001 0.000 0.254 973 Q C 0.073 176.124 176.000 0.084 0.000 0.952 973 Q CA 0.096 55.932 55.803 0.055 0.000 0.884 973 Q CB 1.250 30.020 28.738 0.054 0.000 1.224 973 Q HN 0.551 nan 8.270 nan 0.000 0.422 974 R N 0.505 121.021 120.500 0.027 0.000 2.561 974 R HA 0.647 4.987 4.340 -0.001 0.000 0.297 974 R C -1.003 175.251 176.300 -0.078 0.000 0.969 974 R CA -0.691 55.410 56.100 0.003 0.000 0.879 974 R CB 1.755 32.026 30.300 -0.048 0.000 1.178 974 R HN 0.235 nan 8.270 nan 0.000 0.445 975 V N 1.725 121.592 119.914 -0.078 0.000 2.483 975 V HA 0.545 4.664 4.120 -0.001 0.000 0.297 975 V C 0.240 176.076 176.094 -0.431 0.000 1.027 975 V CA -0.833 61.294 62.300 -0.289 0.000 0.855 975 V CB 1.956 33.604 31.823 -0.292 0.000 0.995 975 V HN 0.952 nan 8.190 nan 0.000 0.424 976 G N 3.356 111.708 108.800 -0.748 0.000 2.348 976 G HA2 0.623 4.583 3.960 -0.001 0.000 0.312 976 G HA3 0.623 4.583 3.960 -0.001 0.000 0.312 976 G C -1.517 172.949 174.900 -0.724 0.000 1.126 976 G CA -0.214 44.261 45.100 -1.042 0.000 0.865 976 G HN 0.514 nan 8.290 nan 0.000 0.474 977 Y N 0.562 120.896 120.300 0.058 0.000 2.425 977 Y HA 0.467 5.016 4.550 -0.001 0.000 0.344 977 Y C -0.076 176.087 175.900 0.438 0.000 0.969 977 Y CA -0.892 57.357 58.100 0.249 0.000 1.052 977 Y CB 2.724 41.306 38.460 0.204 0.000 1.215 977 Y HN 0.348 nan 8.280 nan 0.000 0.451 978 V N 4.839 125.052 119.914 0.498 0.000 2.398 978 V HA 0.389 4.509 4.120 -0.001 0.000 0.286 978 V C -0.863 175.458 176.094 0.379 0.000 1.026 978 V CA -0.669 61.854 62.300 0.372 0.000 0.868 978 V CB 1.540 33.536 31.823 0.288 0.000 0.982 978 V HN 0.515 nan 8.190 nan 0.000 0.443 979 L N 4.883 126.313 121.223 0.346 0.000 2.325 979 L HA 0.605 4.944 4.340 -0.001 0.000 0.281 979 L C -0.675 176.393 176.870 0.330 0.000 1.004 979 L CA -0.181 54.859 54.840 0.334 0.000 0.823 979 L CB 1.376 43.636 42.059 0.335 0.000 1.236 979 L HN 0.796 nan 8.230 nan 0.000 0.415 980 H N 4.092 123.315 119.070 0.256 0.000 2.529 980 H HA 0.577 5.133 4.556 -0.001 0.000 0.348 980 H C -1.074 174.342 175.328 0.146 0.000 1.079 980 H CA -0.625 55.544 56.048 0.202 0.000 1.198 980 H CB 1.187 31.140 29.762 0.318 0.000 1.521 980 H HN 0.510 nan 8.280 nan 0.000 0.514 981 R N 4.104 124.270 120.500 -0.556 0.000 2.343 981 R HA 0.248 4.587 4.340 -0.001 0.000 0.320 981 R C -0.330 175.564 176.300 -0.676 0.000 0.956 981 R CA -0.483 55.367 56.100 -0.417 0.000 0.836 981 R CB 1.625 31.794 30.300 -0.218 0.000 1.151 981 R HN 0.807 nan 8.270 nan 0.000 0.450 982 T N 1.319 115.649 114.554 -0.374 0.000 2.793 982 T HA 0.163 4.513 4.350 -0.001 0.000 0.299 982 T C -0.383 174.152 174.700 -0.275 0.000 1.038 982 T CA -0.361 61.595 62.100 -0.240 0.000 0.948 982 T CB 0.583 69.386 68.868 -0.109 0.000 1.231 982 T HN 0.644 nan 8.240 nan 0.000 0.538 983 N N 0.529 119.093 118.700 -0.226 0.000 2.399 983 N HA 0.480 5.220 4.740 -0.001 0.000 0.284 983 N C -1.489 173.878 175.510 -0.238 0.000 1.025 983 N CA -0.506 52.359 53.050 -0.308 0.000 0.885 983 N CB 0.737 38.896 38.487 -0.545 0.000 1.339 983 N HN 0.487 nan 8.380 nan 0.000 0.487 984 L N 2.690 123.762 121.223 -0.252 0.000 2.334 984 L HA 0.537 4.877 4.340 -0.001 0.000 0.273 984 L C 0.437 177.185 176.870 -0.203 0.000 1.013 984 L CA -0.987 53.735 54.840 -0.197 0.000 0.816 984 L CB 1.646 43.596 42.059 -0.181 0.000 1.278 984 L HN 0.404 nan 8.230 nan 0.000 0.431 985 M N 2.551 122.049 119.600 -0.170 0.000 2.252 985 M HA 0.050 4.530 4.480 -0.001 0.000 0.348 985 M C -0.154 176.059 176.300 -0.144 0.000 1.334 985 M CA -0.006 55.196 55.300 -0.164 0.000 1.071 985 M CB 0.328 32.834 32.600 -0.155 0.000 1.763 985 M HN 0.451 nan 8.290 nan 0.000 0.452 986 Q N 2.673 122.391 119.800 -0.137 0.000 2.324 986 Q HA 0.132 4.472 4.340 -0.001 0.000 0.257 986 Q C -0.060 175.882 176.000 -0.096 0.000 1.080 986 Q CA 0.195 55.932 55.803 -0.111 0.000 0.907 986 Q CB 0.579 29.255 28.738 -0.103 0.000 1.274 986 Q HN 0.797 nan 8.270 nan 0.000 0.434 987 c N 0.596 119.143 118.600 -0.089 0.000 3.115 987 c HA 0.365 4.935 4.570 -0.001 0.000 0.277 987 c C 1.343 175.393 174.090 -0.066 0.000 1.460 987 c CA 0.025 56.306 56.329 -0.080 0.000 1.789 987 c CB -0.381 42.076 42.510 -0.089 0.000 2.674 987 c HN 1.007 nan 8.230 nan 0.000 0.582 988 G N 1.245 110.008 108.800 -0.062 0.000 2.175 988 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.244 988 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.244 988 G C 0.037 174.907 174.900 -0.050 0.000 0.982 988 G CA 0.329 45.398 45.100 -0.052 0.000 0.641 988 G HN 0.442 nan 8.290 nan 0.000 0.527 989 T N 3.192 117.712 114.554 -0.057 0.000 2.737 989 T HA 0.492 4.841 4.350 -0.001 0.000 0.296 989 T C -1.699 172.966 174.700 -0.058 0.000 0.922 989 T CA -0.451 61.615 62.100 -0.055 0.000 1.079 989 T CB 1.451 70.283 68.868 -0.060 0.000 0.892 989 T HN 0.206 nan 8.240 nan 0.000 0.514 990 P HA 0.116 nan 4.420 nan 0.000 0.268 990 P C 0.145 177.403 177.300 -0.070 0.000 1.204 990 P CA -0.477 62.592 63.100 -0.052 0.000 0.768 990 P CB 0.415 32.092 31.700 -0.038 0.000 0.842 991 E N 3.025 123.181 120.200 -0.073 0.000 2.415 991 E HA -0.007 4.342 4.350 -0.001 0.000 0.263 991 E C -0.416 176.099 176.600 -0.141 0.000 0.995 991 E CA -0.424 55.919 56.400 -0.095 0.000 0.915 991 E CB 0.445 30.100 29.700 -0.076 0.000 0.951 991 E HN 0.313 nan 8.360 nan 0.000 0.449 992 E N 3.194 123.266 120.200 -0.213 0.000 2.390 992 E HA 0.043 4.392 4.350 -0.001 0.000 0.261 992 E C -0.410 175.950 176.600 -0.400 0.000 1.076 992 E CA -0.257 55.869 56.400 -0.458 0.000 0.905 992 E CB 0.250 29.662 29.700 -0.481 0.000 0.984 992 E HN 0.572 nan 8.360 nan 0.000 0.427 993 H N -0.626 118.439 119.070 -0.007 0.000 3.107 993 H HA 0.200 4.756 4.556 -0.001 0.000 0.301 993 H C 0.272 175.610 175.328 0.016 0.000 0.981 993 H CA -0.148 55.900 56.048 -0.000 0.000 1.443 993 H CB -0.358 29.401 29.762 -0.005 0.000 1.479 993 H HN 0.337 nan 8.280 nan 0.000 0.564 994 T N 0.616 115.220 114.554 0.084 0.000 2.906 994 T HA 0.439 4.789 4.350 -0.001 0.000 0.295 994 T C -0.324 174.426 174.700 0.084 0.000 1.075 994 T CA -1.343 60.807 62.100 0.085 0.000 1.005 994 T CB 1.851 70.746 68.868 0.046 0.000 1.136 994 T HN 0.690 nan 8.240 nan 0.000 0.498 995 Q N 0.928 120.784 119.800 0.093 0.000 2.235 995 Q HA 0.388 4.727 4.340 -0.001 0.000 0.250 995 Q C -0.228 175.802 176.000 0.050 0.000 0.909 995 Q CA -0.832 55.013 55.803 0.070 0.000 0.910 995 Q CB 1.520 30.308 28.738 0.083 0.000 1.223 995 Q HN 0.612 nan 8.270 nan 0.000 0.432 996 K N 1.990 122.406 120.400 0.026 0.000 2.491 996 K HA -0.020 4.299 4.320 -0.001 0.000 0.279 996 K C -0.922 175.682 176.600 0.007 0.000 1.026 996 K CA -0.109 56.184 56.287 0.009 0.000 1.070 996 K CB 0.281 32.776 32.500 -0.009 0.000 0.887 996 K HN 0.404 nan 8.250 nan 0.000 0.481 997 L N 5.161 126.386 121.223 0.004 0.000 2.255 997 L HA 0.222 4.561 4.340 -0.001 0.000 0.289 997 L C -0.998 175.837 176.870 -0.057 0.000 1.046 997 L CA -0.008 54.825 54.840 -0.011 0.000 0.816 997 L CB 1.054 43.120 42.059 0.011 0.000 1.197 997 L HN 0.576 nan 8.230 nan 0.000 0.427 998 D N 3.467 123.824 120.400 -0.072 0.000 2.454 998 D HA 0.140 4.780 4.640 -0.001 0.000 0.225 998 D C 1.115 177.313 176.300 -0.171 0.000 1.081 998 D CA -0.301 53.631 54.000 -0.113 0.000 0.864 998 D CB 1.217 41.992 40.800 -0.042 0.000 1.040 998 D HN 0.372 nan 8.370 nan 0.000 0.517 999 V N 1.493 121.212 119.914 -0.326 0.000 2.720 999 V HA -0.176 3.944 4.120 -0.001 0.000 0.256 999 V C 2.031 177.782 176.094 -0.571 0.000 1.082 999 V CA 1.064 62.994 62.300 -0.617 0.000 1.101 999 V CB -1.044 30.186 31.823 -0.989 0.000 0.693 999 V HN 0.614 nan 8.190 nan 0.000 0.479 1000 c N 0.493 118.901 118.600 -0.319 0.000 2.456 1000 c HA 0.071 4.640 4.570 -0.001 0.000 0.279 1000 c C 2.129 176.098 174.090 -0.201 0.000 1.427 1000 c CA 1.094 57.301 56.329 -0.203 0.000 1.778 1000 c CB -1.672 40.709 42.510 -0.216 0.000 1.842 1000 c HN 0.764 nan 8.230 nan 0.000 0.531 1001 H N -0.798 118.235 119.070 -0.062 0.000 2.520 1001 H HA 0.257 4.812 4.556 -0.001 0.000 0.284 1001 H C 1.724 177.072 175.328 0.033 0.000 1.037 1001 H CA -0.001 56.053 56.048 0.010 0.000 1.168 1001 H CB 0.061 29.814 29.762 -0.015 0.000 1.497 1001 H HN 0.348 nan 8.280 nan 0.000 0.547 1002 L N -0.091 121.175 121.223 0.071 0.000 2.141 1002 L HA -0.026 4.313 4.340 -0.001 0.000 0.209 1002 L C 0.146 177.144 176.870 0.214 0.000 1.094 1002 L CA 0.888 55.795 54.840 0.112 0.000 0.763 1002 L CB 0.085 42.173 42.059 0.048 0.000 0.908 1002 L HN 0.208 nan 8.230 nan 0.000 0.437 1003 L N 0.167 121.485 121.223 0.159 0.000 2.325 1003 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 1003 L C -2.071 174.852 176.870 0.088 0.000 1.023 1003 L CA -2.046 52.828 54.840 0.056 0.000 0.811 1003 L CB 1.261 43.156 42.059 -0.273 0.000 1.249 1003 L HN -0.192 nan 8.230 nan 0.000 0.431 1004 P HA 0.090 nan 4.420 nan 0.000 0.274 1004 P C -0.803 176.610 177.300 0.190 0.000 1.246 1004 P CA -0.209 62.964 63.100 0.121 0.000 0.795 1004 P CB 0.385 32.134 31.700 0.082 0.000 1.006 1005 N N -2.957 115.841 118.700 0.164 0.000 2.758 1005 N HA -0.146 4.593 4.740 -0.001 0.000 0.248 1005 N C -0.021 175.583 175.510 0.158 0.000 1.076 1005 N CA 0.078 53.215 53.050 0.144 0.000 0.696 1005 N CB -1.865 36.694 38.487 0.121 0.000 0.979 1005 N HN 0.256 nan 8.380 nan 0.000 0.550 1006 V N 0.052 120.015 119.914 0.083 0.000 2.585 1006 V HA 0.411 4.531 4.120 -0.001 0.000 0.296 1006 V C 1.182 177.173 176.094 -0.171 0.000 1.035 1006 V CA 1.101 63.266 62.300 -0.226 0.000 1.084 1006 V CB 1.245 32.832 31.823 -0.394 0.000 0.953 1006 V HN 0.431 nan 8.190 nan 0.000 0.483 1007 A N 7.014 129.708 122.820 -0.210 0.000 2.192 1007 A HA 0.473 4.792 4.320 -0.001 0.000 0.208 1007 A C 0.977 178.520 177.584 -0.069 0.000 1.220 1007 A CA -0.013 51.966 52.037 -0.096 0.000 0.900 1007 A CB 0.255 19.220 19.000 -0.058 0.000 0.937 1007 A HN 0.749 nan 8.150 nan 0.000 0.487 1008 R N -1.576 118.850 120.500 -0.123 0.000 2.629 1008 R HA 0.479 4.818 4.340 -0.001 0.000 0.266 1008 R C -2.309 173.952 176.300 -0.066 0.000 1.051 1008 R CA -0.364 55.725 56.100 -0.018 0.000 0.895 1008 R CB 1.656 31.967 30.300 0.018 0.000 1.246 1008 R HN 0.257 nan 8.270 nan 0.000 0.459 1009 c N 3.247 121.856 118.600 0.015 0.000 2.397 1009 c HA 0.578 5.148 4.570 -0.001 0.000 0.325 1009 c C -1.141 173.033 174.090 0.140 0.000 1.201 1009 c CA -0.360 55.982 56.329 0.022 0.000 1.377 1009 c CB 1.113 43.589 42.510 -0.057 0.000 2.038 1009 c HN 0.719 nan 8.230 nan 0.000 0.457 1010 E N 3.703 124.011 120.200 0.180 0.000 2.187 1010 E HA 0.327 4.677 4.350 -0.001 0.000 0.268 1010 E C -0.634 176.136 176.600 0.283 0.000 0.896 1010 E CA -0.469 56.059 56.400 0.213 0.000 0.766 1010 E CB 2.076 31.864 29.700 0.147 0.000 1.142 1010 E HN 0.699 nan 8.360 nan 0.000 0.408 1011 R N 1.438 122.096 120.500 0.264 0.000 2.389 1011 R HA 0.241 4.580 4.340 -0.001 0.000 0.295 1011 R C -0.018 176.322 176.300 0.066 0.000 1.075 1011 R CA 0.197 56.386 56.100 0.148 0.000 1.005 1011 R CB 0.475 30.843 30.300 0.112 0.000 0.987 1011 R HN 0.628 nan 8.270 nan 0.000 0.452 1012 T N -0.152 114.414 114.554 0.020 0.000 2.888 1012 T HA 0.352 4.702 4.350 -0.001 0.000 0.288 1012 T C 0.129 174.814 174.700 -0.026 0.000 1.063 1012 T CA -0.788 61.340 62.100 0.046 0.000 1.010 1012 T CB 1.401 70.366 68.868 0.162 0.000 1.214 1012 T HN 0.603 nan 8.240 nan 0.000 0.533 1013 T N 0.262 114.801 114.554 -0.024 0.000 2.791 1013 T HA 0.193 4.542 4.350 -0.001 0.000 0.323 1013 T C 1.622 176.237 174.700 -0.143 0.000 1.082 1013 T CA -0.683 61.378 62.100 -0.065 0.000 1.084 1013 T CB -0.083 68.763 68.868 -0.037 0.000 0.992 1013 T HN 0.568 nan 8.240 nan 0.000 0.547 1014 L N 1.073 122.193 121.223 -0.173 0.000 2.353 1014 L HA -0.035 4.304 4.340 -0.001 0.000 0.220 1014 L C 2.779 179.336 176.870 -0.521 0.000 1.133 1014 L CA 1.349 56.017 54.840 -0.285 0.000 0.798 1014 L CB -1.134 40.844 42.059 -0.135 0.000 0.922 1014 L HN 0.971 nan 8.230 nan 0.000 0.445 1015 T N -4.833 109.517 114.554 -0.341 0.000 3.100 1015 T HA 0.056 4.406 4.350 -0.001 0.000 0.253 1015 T C 0.852 175.411 174.700 -0.235 0.000 1.118 1015 T CA -0.177 61.754 62.100 -0.281 0.000 1.058 1015 T CB -0.265 68.572 68.868 -0.052 0.000 0.953 1015 T HN 0.317 nan 8.240 nan 0.000 0.515 1016 F N -0.692 119.268 119.950 0.016 0.000 2.794 1016 F HA -0.233 4.294 4.527 -0.001 0.000 0.335 1016 F C 1.141 176.940 175.800 -0.002 0.000 0.653 1016 F CA 0.185 58.188 58.000 0.005 0.000 1.266 1016 F CB -2.168 36.831 39.000 -0.001 0.000 1.666 1016 F HN 0.197 nan 8.300 nan 0.000 0.314 1017 L N -0.668 120.621 121.223 0.111 0.000 2.446 1017 L HA 0.056 4.395 4.340 -0.001 0.000 0.219 1017 L C 1.115 178.004 176.870 0.033 0.000 1.116 1017 L CA 1.061 55.938 54.840 0.063 0.000 0.844 1017 L CB 0.030 42.109 42.059 0.034 0.000 0.970 1017 L HN 0.287 nan 8.230 nan 0.000 0.457 1018 Q N 0.651 120.469 119.800 0.030 0.000 2.304 1018 Q HA 0.259 4.599 4.340 -0.001 0.000 0.270 1018 Q C -1.133 174.882 176.000 0.025 0.000 1.035 1018 Q CA -0.677 55.133 55.803 0.012 0.000 0.781 1018 Q CB 1.817 30.547 28.738 -0.012 0.000 1.261 1018 Q HN 0.112 nan 8.270 nan 0.000 0.444 1019 N N 4.207 122.921 118.700 0.023 0.000 2.475 1019 N HA 0.144 4.884 4.740 -0.001 0.000 0.267 1019 N C 0.357 175.881 175.510 0.024 0.000 1.169 1019 N CA 0.316 53.386 53.050 0.033 0.000 0.947 1019 N CB 0.978 39.477 38.487 0.021 0.000 1.061 1019 N HN 0.623 nan 8.380 nan 0.000 0.466 1020 L N 0.505 121.749 121.223 0.035 0.000 2.609 1020 L HA 0.315 4.654 4.340 -0.001 0.000 0.230 1020 L C 0.514 177.411 176.870 0.046 0.000 1.064 1020 L CA 0.272 55.127 54.840 0.025 0.000 0.873 1020 L CB 0.385 42.448 42.059 0.007 0.000 1.139 1020 L HN 0.518 nan 8.230 nan 0.000 0.490 1021 E N -0.188 120.059 120.200 0.078 0.000 2.343 1021 E HA 0.134 4.483 4.350 -0.001 0.000 0.286 1021 E C -1.274 175.427 176.600 0.168 0.000 0.915 1021 E CA -0.539 55.925 56.400 0.106 0.000 0.784 1021 E CB 1.390 31.147 29.700 0.094 0.000 1.251 1021 E HN 0.104 nan 8.360 nan 0.000 0.407 1022 H N 5.893 124.987 119.070 0.040 0.000 2.668 1022 H HA 0.301 4.857 4.556 -0.001 0.000 0.303 1022 H C -0.712 174.638 175.328 0.036 0.000 1.074 1022 H CA -0.505 55.563 56.048 0.034 0.000 1.406 1022 H CB 0.691 30.464 29.762 0.018 0.000 1.442 1022 H HN 0.394 nan 8.280 nan 0.000 0.482 1023 L N 5.567 126.731 121.223 -0.099 0.000 2.275 1023 L HA 0.118 4.457 4.340 -0.001 0.000 0.288 1023 L C 0.131 176.867 176.870 -0.223 0.000 1.046 1023 L CA -0.832 53.944 54.840 -0.107 0.000 0.805 1023 L CB 1.137 43.190 42.059 -0.010 0.000 1.193 1023 L HN 0.643 nan 8.230 nan 0.000 0.426 1024 D N 2.722 123.027 120.400 -0.157 0.000 2.424 1024 D HA 0.171 4.810 4.640 -0.001 0.000 0.244 1024 D C 1.173 177.422 176.300 -0.085 0.000 1.134 1024 D CA 1.123 55.041 54.000 -0.137 0.000 0.881 1024 D CB 1.404 42.154 40.800 -0.082 0.000 1.191 1024 D HN 0.833 nan 8.370 nan 0.000 0.445 1025 G N 2.667 111.425 108.800 -0.069 0.000 2.168 1025 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.263 1025 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.263 1025 G C 0.795 175.721 174.900 0.042 0.000 0.977 1025 G CA 0.434 45.526 45.100 -0.013 0.000 0.659 1025 G HN 0.628 nan 8.290 nan 0.000 0.533 1026 M N -2.408 117.178 119.600 -0.023 0.000 2.576 1026 M HA -0.191 4.289 4.480 -0.001 0.000 0.200 1026 M C 0.135 176.445 176.300 0.017 0.000 0.487 1026 M CA 0.915 56.193 55.300 -0.038 0.000 0.553 1026 M CB -1.812 30.736 32.600 -0.087 0.000 2.042 1026 M HN 0.234 nan 8.290 nan 0.000 0.758 1027 V N 0.630 120.551 119.914 0.012 0.000 2.435 1027 V HA 0.750 4.869 4.120 -0.001 0.000 0.290 1027 V C 0.610 176.621 176.094 -0.137 0.000 1.030 1027 V CA -0.345 61.954 62.300 -0.002 0.000 0.881 1027 V CB 1.823 33.639 31.823 -0.013 0.000 0.983 1027 V HN 0.373 nan 8.190 nan 0.000 0.445 1028 A N 7.537 130.192 122.820 -0.275 0.000 2.269 1028 A HA 0.757 5.076 4.320 -0.001 0.000 0.302 1028 A C -2.422 174.921 177.584 -0.401 0.000 1.266 1028 A CA -1.493 50.166 52.037 -0.630 0.000 0.894 1028 A CB 0.135 18.437 19.000 -1.162 0.000 1.147 1028 A HN 0.643 nan 8.150 nan 0.000 0.537 1029 P HA 0.146 nan 4.420 nan 0.000 0.269 1029 P C -0.078 177.219 177.300 -0.006 0.000 1.215 1029 P CA -0.039 63.028 63.100 -0.054 0.000 0.780 1029 P CB 0.536 32.261 31.700 0.043 0.000 0.898 1030 E N -0.225 119.984 120.200 0.015 0.000 2.371 1030 E HA 0.272 4.621 4.350 -0.001 0.000 0.257 1030 E C 0.071 176.723 176.600 0.086 0.000 1.134 1030 E CA -0.867 55.567 56.400 0.056 0.000 0.919 1030 E CB 0.573 30.288 29.700 0.025 0.000 1.025 1030 E HN 0.289 nan 8.360 nan 0.000 0.438 1031 V N -1.415 118.552 119.914 0.089 0.000 3.109 1031 V HA 0.383 4.503 4.120 -0.001 0.000 0.317 1031 V C 0.082 176.179 176.094 0.005 0.000 1.074 1031 V CA -1.013 61.326 62.300 0.064 0.000 1.033 1031 V CB 1.287 33.151 31.823 0.068 0.000 1.111 1031 V HN 0.735 nan 8.190 nan 0.000 0.458 1032 c N 2.011 120.607 118.600 -0.007 0.000 2.500 1032 c HA 0.498 5.067 4.570 -0.001 0.000 0.367 1032 c C -2.186 171.846 174.090 -0.098 0.000 1.283 1032 c CA -0.472 55.834 56.329 -0.037 0.000 2.456 1032 c CB 0.246 42.751 42.510 -0.008 0.000 2.457 1032 c HN 0.826 nan 8.230 nan 0.000 0.632 1033 P HA 0.058 nan 4.420 nan 0.000 0.264 1033 P C 0.269 177.403 177.300 -0.277 0.000 1.193 1033 P CA 0.969 63.931 63.100 -0.230 0.000 0.763 1033 P CB 0.185 31.735 31.700 -0.250 0.000 0.810 1034 M N -1.142 118.236 119.600 -0.371 0.000 2.961 1034 M HA -0.167 4.312 4.480 -0.001 0.000 0.198 1034 M C -0.029 176.203 176.300 -0.114 0.000 0.610 1034 M CA 1.348 56.387 55.300 -0.435 0.000 0.755 1034 M CB -1.969 30.065 32.600 -0.943 0.000 2.707 1034 M HN 0.403 nan 8.290 nan 0.000 0.299 1035 E N 0.593 120.744 120.200 -0.082 0.000 2.250 1035 E HA 0.703 5.053 4.350 -0.001 0.000 0.269 1035 E C 0.004 176.635 176.600 0.052 0.000 1.018 1035 E CA -0.008 56.439 56.400 0.078 0.000 0.873 1035 E CB 1.344 31.070 29.700 0.044 0.000 1.134 1035 E HN 0.170 nan 8.360 nan 0.000 0.403 1036 T N 0.518 115.133 114.554 0.102 0.000 2.928 1036 T HA 0.645 4.995 4.350 -0.001 0.000 0.296 1036 T C -0.898 173.801 174.700 -0.001 0.000 1.000 1036 T CA -0.665 61.500 62.100 0.108 0.000 0.989 1036 T CB 1.543 70.495 68.868 0.140 0.000 1.005 1036 T HN 0.497 nan 8.240 nan 0.000 0.442 1037 A N 2.053 124.874 122.820 0.003 0.000 2.413 1037 A HA 0.998 5.318 4.320 -0.001 0.000 0.307 1037 A C -0.752 176.713 177.584 -0.199 0.000 1.087 1037 A CA -0.931 51.009 52.037 -0.161 0.000 0.750 1037 A CB 1.468 20.320 19.000 -0.246 0.000 1.296 1037 A HN 1.103 nan 8.150 nan 0.000 0.423 1038 A N 0.440 123.065 122.820 -0.325 0.000 2.350 1038 A HA 0.826 5.145 4.320 -0.001 0.000 0.324 1038 A C -1.413 175.991 177.584 -0.300 0.000 1.118 1038 A CA -0.366 51.594 52.037 -0.127 0.000 0.783 1038 A CB 0.694 19.666 19.000 -0.046 0.000 1.236 1038 A HN 0.828 nan 8.150 nan 0.000 0.457 1039 Y N 0.104 120.618 120.300 0.357 0.000 2.524 1039 Y HA 0.557 5.106 4.550 -0.001 0.000 0.347 1039 Y C -0.337 175.725 175.900 0.271 0.000 1.005 1039 Y CA -0.930 57.327 58.100 0.263 0.000 1.025 1039 Y CB 2.645 41.215 38.460 0.183 0.000 1.275 1039 Y HN 0.408 nan 8.280 nan 0.000 0.460 1040 V N 2.413 122.523 119.914 0.326 0.000 2.483 1040 V HA 0.428 4.547 4.120 -0.001 0.000 0.297 1040 V C -0.638 175.534 176.094 0.131 0.000 1.027 1040 V CA -0.891 61.495 62.300 0.144 0.000 0.855 1040 V CB 1.624 33.471 31.823 0.041 0.000 0.995 1040 V HN 0.813 nan 8.190 nan 0.000 0.424 1041 S N 3.461 119.246 115.700 0.142 0.000 2.508 1041 S HA 0.717 5.187 4.470 -0.001 0.000 0.284 1041 S C -0.197 174.338 174.600 -0.108 0.000 1.192 1041 S CA -0.573 57.631 58.200 0.007 0.000 1.070 1041 S CB 1.612 64.877 63.200 0.108 0.000 1.004 1041 S HN 0.548 nan 8.310 nan 0.000 0.493 1042 S N 2.492 117.999 115.700 -0.322 0.000 2.501 1042 S HA 0.563 5.032 4.470 -0.001 0.000 0.301 1042 S C -0.823 173.476 174.600 -0.502 0.000 1.096 1042 S CA -0.754 57.307 58.200 -0.231 0.000 1.063 1042 S CB 0.513 63.644 63.200 -0.115 0.000 1.042 1042 S HN 0.807 nan 8.310 nan 0.000 0.494 1043 H N 0.445 119.506 119.070 -0.015 0.000 2.894 1043 H HA 0.348 4.903 4.556 -0.001 0.000 0.367 1043 H C -0.811 174.514 175.328 -0.005 0.000 1.144 1043 H CA -0.772 55.270 56.048 -0.010 0.000 1.180 1043 H CB 1.750 31.508 29.762 -0.007 0.000 1.758 1043 H HN 0.624 nan 8.280 nan 0.000 0.541 1044 S N 1.650 117.414 115.700 0.106 0.000 2.523 1044 S HA 0.351 4.820 4.470 -0.001 0.000 0.275 1044 S C 0.437 175.075 174.600 0.064 0.000 1.281 1044 S CA -0.728 57.510 58.200 0.062 0.000 1.050 1044 S CB 1.471 64.695 63.200 0.040 0.000 0.937 1044 S HN 0.463 nan 8.310 nan 0.000 0.492 1045 S N 0.000 115.727 115.700 0.045 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.222 58.200 0.037 0.000 1.107 1045 S CB 0.000 63.218 63.200 0.029 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517